CCOc1ccc(-c2cn(S(=O)(=O)c3cccc4nsnc34)nc2N)cc1 ZINC000001057695 HF Annotated Anodyne aggregator Cc1ccc2c(c1)CCCN2S(=O)(=O)c1cc(OCC(N)=O)c(C)cc1Cl ZINC000001109969 HF Annotated Anodyne COc1ccc(OC)c(NC(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)NCc2cccnc2)c1 ZINC000001224539 HF Annotated Anodyne COc1ccc(OC)c(NC(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)NCc2ccccn2)c1 ZINC000001224547 HF Annotated Anodyne CC(C)CC(=O)Nc1ccccc1-c1nnn(CC(=O)N2CCc3ccccc3C2)n1 ZINC000001339724 HF Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)Cn1nnc2c(cnn2-c2ccccc2)c1=O ZINC000001350417 HF Annotated Anodyne COc1cc2nc(C3CCC3)n(NC(=O)[C@H]3CCC[C@@H](OC)C3)c(=O)c2cc1OC ZINC000001365213 HF Annotated Anodyne COc1cc2nc(C3CCC3)n(NC(=O)[C@@H]3CCC[C@@H](OC)C3)c(=O)c2cc1OC ZINC000001365216 HF Annotated Anodyne COc1cc2nc(C3CCC3)n(NC(=O)[C@H]3CCC[C@H](OC)C3)c(=O)c2cc1OC ZINC000001365218 HF Annotated Anodyne COc1cc2nc(C3CCC3)n(NC(=O)[C@@H]3CCC[C@H](OC)C3)c(=O)c2cc1OC ZINC000001365221 HF Annotated Anodyne CCn1cc(C(=O)Nc2cc3c(cc2NC(C)=O)OCCO3)c(=O)c2ccc(C)nc21 ZINC000001365231 HF Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1cc2c(cc1Br)OCO2)C31CC1 ZINC000001436513 HF Annotated Mild CC(C)Oc1c(C(=O)Nc2nnn[nH]2)sc(Br)c1Br ZINC000001482758 HF Annotated Anodyne CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NC(C)(C)C)cn2)CC1 ZINC000001483663 HF Annotated Anodyne O=C1NC(=O)[C@](CC#Cc2ccc(Cl)cc2)(S(=O)(=O)c2ccccn2)S1 ZINC000001484953 HF Annotated Mild O=C1NC(=O)[C@](CC#Cc2ccc(F)cc2)(S(=O)(=O)c2ccc(F)cc2)S1 ZINC000001484955 HF Annotated Mild O=C(O)Cc1cccc2c1Cc1c-2[nH]c(=O)c2nc(-c3ccc(C(=O)O)cc3)cn12 ZINC000001486912 HF Annotated Anodyne O=C(O)Cc1cccc2c1Cc1c-2[nH]c(=O)c2nc(-c3cccc(C(=O)O)c3)cn12 ZINC000001486913 HF Annotated Anodyne CCC[C@@H]1C(=O)c2nc(CCN3N=C(c4ccccc4)CCC3=O)[nH]c2N(C)C1=O ZINC000100034600 HF Annotated Anodyne CCC[C@H]1C(=O)c2nc(CCN3N=C(c4ccccc4)CCC3=O)[nH]c2N(C)C1=O ZINC000100034605 HF Annotated Anodyne C[C@@H]1C(=O)c2nc(CCCCN3N=C(c4ccccc4)CCC3=O)[nH]c2N(C)C1=O ZINC000100034655 HF Annotated Anodyne C[C@H]1C(=O)c2nc(CCCCN3N=C(c4ccccc4)CCC3=O)[nH]c2N(C)C1=O ZINC000100034658 HF Annotated Anodyne CCC[C@@H]1C(=O)c2nc(CCCN3N=C(c4ccccc4)CCC3=O)[nH]c2N(C)C1=O ZINC000100034670 HF Annotated Anodyne CCC[C@H]1C(=O)c2nc(CCCN3N=C(c4ccccc4)CCC3=O)[nH]c2N(C)C1=O ZINC000100034673 HF Annotated Anodyne CCOC(=O)Nc1cc(N[C@@H](C)/C(=N\O)c2ccc(O)cc2)c([N+](=O)[O-])c(N)n1 ZINC000100042581 HF Annotated Mild O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1/N=C/c1cc2c(cc1Br)OCO2)C31CC1 ZINC000100059557 HF Annotated Mild O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cc3c(cc1Br)OCO3)[C@@H]1C=C[C@@H]2C12CC2 ZINC000100059561 HF Annotated Mild CC[C@H]1[C@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5OC(C)=O)N3[C@@H]1OC(C)=O ZINC000100068200 HF Annotated Anodyne in-vitro CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5OC(C)=O)N3[C@@H]1OC(C)=O ZINC000100068205 HF Annotated Anodyne in-vitro CC[C@H]1[C@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@@H]5OC(C)=O)N3[C@@H]1OC(C)=O ZINC000100068208 HF Annotated Anodyne in-vitro CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@@H]5OC(C)=O)N3[C@@H]1OC(C)=O ZINC000100068213 HF Annotated Anodyne in-vitro CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CN(Cc5cncnc5)C[C@@H]3N4)cc2)cc1 ZINC000100086471 HF Annotated Anodyne C=CCO/C(O)=C1\C(C)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccc(O)c(OC)c1 ZINC000100086758 HF Annotated Reactive C=CCO/C(O)=C1\C(C)=NC(SCC(N)=O)=C(C#N)[C@H]1c1ccc(O)c(OC)c1 ZINC000100086760 HF Annotated Reactive CCN1C[C@]2(C)CC[C@H](OC)[C@]34[C@@H]1[C@H](C[C@@H]32)[C@]1(OC(C)=O)CC[C@@H]2C[C@@H]4[C@@H]1C(=O)O2 ZINC000100087944 HF Annotated Anodyne in-vitro CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]1[C@H](C[C@H]23)[C@]1(OC(C)=O)CC[C@@H]2C[C@@H]4[C@@H]1C(=O)O2 ZINC000100087947 HF Annotated Anodyne in-vitro Cn1cnc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(/C=C/c3ccccc3)cc2)c1 ZINC000100093583 HF Annotated Anodyne COc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccncc2)cc1 ZINC000100093599 HF Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2cn(C)cn2)cc1 ZINC000100094404 HF Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3cn(C)cn3)cc2)cc1 ZINC000100101342 HF Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CN(Cc5cncnc5)C[C@@H]3N4)cc2)c1 ZINC000100101369 HF Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CN(Cc5cncnc5)C[C@@H]3N4)cc2)c1 ZINC000100101372 HF Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4cn(C)cn4)C[C@@H]2N3)cc1 ZINC000100106119 HF Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2cn(C)cn2)cc1 ZINC000100106227 HF Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cncnc2)cc1 ZINC000100106334 HF Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cncnc2)cc1 ZINC000100106442 HF Annotated Anodyne Cn1cnc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(/C=C/c3ccccc3)cc2)c1 ZINC000100106717 HF Annotated Anodyne Cn1cnc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(/C=C/c3ccccc3)cc2)c1 ZINC000100106719 HF Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccncc2)cc1 ZINC000100106730 HF Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4cn(C)cn4)C[C@@H]2N3)cc1 ZINC000100107280 HF Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3cncnc3)cc2)c1 ZINC000100107471 HF Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3cncnc3)cc2)c1 ZINC000100107472 HF Annotated Anodyne COc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccncc2)cc1 ZINC000100108627 HF Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(Cc5cncnc5)C[C@@H]3N4)cc2)cc1 ZINC000100108930 HF Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CN(Cc5cocn5)C[C@@H]3N4)cc2)c1 ZINC000100109267 HF Annotated Anodyne Cn1cnc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(/C=C/c3ccccc3)cc2)c1 ZINC000100109518 HF Annotated Anodyne Cc1cccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3cncnc3)cc2)c1 ZINC000100113863 HF Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3cn(C)cn3)cc2)cc1 ZINC000100114278 HF Annotated Anodyne COCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000100122119 HF Annotated Anodyne COCC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000100122126 HF Annotated Anodyne COCC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccc(OC)cc4)cc3)[C@@H]2C1 ZINC000100122209 HF Annotated Anodyne COCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccc(OC)cc4)cc3)[C@H]2C1 ZINC000100122224 HF Annotated Anodyne CN(C)CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000100126595 HF Annotated Anodyne OC[C@H]1[C@@H](c2ccc(Br)cc2)[C@H]2CN(Cc3cncnc3)CCCCN21 ZINC000100129281 HF Annotated Anodyne CC(C)NC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000100132134 HF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCCC)[C@H]2N1Cc1ccccc1 ZINC000100140212 HF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)[C@@H]2N1Cc1ccccc1 ZINC000100140216 HF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)OC)[C@H]2N1CC1CCCCC1 ZINC000100140611 HF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)[C@@H]2N1CC1CCCCC1 ZINC000100140613 HF Annotated Anodyne Cc1ccc(/C=N/NC(=O)/C(=C\Nc2nccc(C)n2)NC(=O)c2ccccc2)cc1 ZINC000100141248 HF Annotated Reactive C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCCC)[C@H]2N1CC1CCCC1 ZINC000100142448 HF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)[C@@H]2N1CC1CCCC1 ZINC000100142450 HF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N[C@H](C)c3ccccc3)[C@@H]2N1CC ZINC000100142751 HF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N[C@H](C)c3ccccc3)[C@H]2N1CC ZINC000100142756 HF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N[C@@H](C)c3ccccc3)[C@H]2N1CC ZINC000100142760 HF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N[C@@H](C)c3ccccc3)[C@@H]2N1CC ZINC000100142765 HF Annotated Anodyne COc1nc(NCCC2=CCCCC2)nc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)n1 ZINC000100145087 HF Annotated Anodyne COC(=O)c1ccc([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000100276090 HF Annotated Anodyne COC(=O)c1ccc([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000100276095 HF Annotated Anodyne COC(=O)c1ccc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000100276102 HF Annotated Anodyne COC(=O)c1ccc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000100276107 HF Annotated Anodyne CC1=C[C@@H]2[C@@H]([C@H](O)[C@@H](C)[C@@H]2O)[C@@H]2[C@H]1C[C@@H]1[C@@H]2C2=C3O[C@]1(C)CC[C@@H](OC2=O)[C@H]3C ZINC000100302948 HF Annotated Anodyne in-vitro CC1=C[C@H]2[C@@H]([C@H](O)[C@@H](C)[C@@H]2O)[C@@H]2[C@H]1C[C@@H]1[C@@H]2C2=C3O[C@]1(C)CC[C@@H](OC2=O)[C@H]3C ZINC000100302952 HF Annotated Anodyne in-vitro CC(C)=C[C@H](C)C[C@H](C)/C=C/C(=O)NC1=C[C@](O)(CCCCC(=O)O)[C@H]2O[C@@H]2C1=O ZINC000100305441 HF Annotated Mild in-vitro CC(C)=C[C@H](C)C[C@@H](C)/C=C/C(=O)NC1=C[C@](O)(CCCCC(=O)O)[C@H]2O[C@@H]2C1=O ZINC000100305444 HF Annotated Mild in-vitro CC(C)=C[C@@H](C)C[C@H](C)/C=C/C(=O)NC1=C[C@](O)(CCCCC(=O)O)[C@H]2O[C@@H]2C1=O ZINC000100305447 HF Annotated Mild in-vitro CC(C)=C[C@@H](C)C[C@@H](C)/C=C/C(=O)NC1=C[C@](O)(CCCCC(=O)O)[C@H]2O[C@@H]2C1=O ZINC000100305450 HF Annotated Mild in-vitro O=C(NC[C@]12C=C[C@H](O1)[C@@H]1C(=O)OC(=O)[C@@H]12)OCC1c2ccccc2-c2ccccc21 ZINC000100396635 HF Annotated Reactive O=C(CSc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1)N1CCCCCC1 ZINC000100433835 HF Annotated Anodyne COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccnc1 ZINC000100446979 HF Annotated Mild COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccnc1 ZINC000100446985 HF Annotated Mild COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccnc1 ZINC000100446988 HF Annotated Mild COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccnc1 ZINC000100446995 HF Annotated Mild COC(=O)c1ccc(CSc2nc3n(-c4ccc(F)cc4)[nH]cc-3c(=O)n2)o1 ZINC000100455696 HF Annotated Anodyne Cc1ccc(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccco2)c1 ZINC000100479412 HF Annotated Mild Cc1ccc(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccco2)c1 ZINC000100479416 HF Annotated Mild COc1cc2c(=C3C=CC(=O)C=C3)nc3c(c2cc1OC)=C(C)NN3c1ccccc1 ZINC000100480711 HF Annotated Mild O=C(/C=C/c1c[nH]c2ccccc12)c1c(O)n(CCc2ccccc2)c(=O)[nH]c1=O ZINC000100492894 HF Annotated Mild CC1=C[C@@H]2/C=C(\C)CC[C@H](O)[C@H](O)/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@H]3[C@H]1C ZINC000100510665 HF Annotated Mild CCN(CC)S(=O)(=O)c1cc(OC)ccc1N/N=C1\C=CC(=O)c2ncccc21 ZINC000100525587 HF Annotated Mild CC1=C(c2ccc(Cl)cc2)/C(=C2\C=CC(OCCN3CCOCC3)=CC2=O)NN1 ZINC000100560222 HF Annotated Mild COc1cc(/C=C/C(O)=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)ccc1O ZINC000100587285 HF Annotated Anodyne O=C1C(Br)=CC([N+](=O)[O-])=C/C1=C\Nc1ccc(N2CCOCC2)cc1 ZINC000100596922 HF Annotated Mild Cc1c(COc2c(F)cc(F)cc2F)c2c(n1C)C(=O)C=C(NCCCCN)C2=O ZINC000100601352 HF Annotated Mild Cc1c(COc2c(F)cc(F)cc2F)c2c(n1C)C(=O)C(NCCCCN)=CC2=O ZINC000100601357 HF Annotated Mild Cc1c(COc2c(F)cc(F)cc2F)c2c(n1C)C(=O)C=C(NCCCN)C2=O ZINC000100601360 HF Annotated Mild O=C1C=CC=C/C1=C1\NNC2=C1[C@@H](c1cccc(Cl)c1)N(C[C@@H]1CCCO1)C2=O ZINC000100610129 HF Annotated Mild O=C1C=CC=C/C1=C1\NNC2=C1[C@H](c1cccc(Cl)c1)N(C[C@@H]1CCCO1)C2=O ZINC000100610134 HF Annotated Mild O=C1C=CC=C/C1=C1\NNC2=C1[C@@H](c1cccc(Cl)c1)N(C[C@H]1CCCO1)C2=O ZINC000100610139 HF Annotated Mild O=C1C=CC=C/C1=C1\NNC2=C1[C@H](c1cccc(Cl)c1)N(C[C@H]1CCCO1)C2=O ZINC000100610144 HF Annotated Mild Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(OCCO)c31)[C@@H]1CC[C@@H](C2)N1 ZINC000100633148 HF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(OCCO)c31)[C@H]1CC[C@H](C2)N1 ZINC000100633151 HF Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1OC(F)F)C1=C(O)CCCC1=N2 ZINC000100634957 HF Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1OC(F)F)C1=C(O)CCCC1=N2 ZINC000100634958 HF Annotated Anodyne O=C(CCO)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100636792 HF Annotated Anodyne CCS(=O)(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100636812 HF Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1(O)CC1 ZINC000100636856 HF Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100636902 HF Annotated Anodyne COC(=O)c1cccc(-n2c(=O)n(C[C@@H]3C[C@@H]4CC[C@@H]3C4)c(=O)c3cccnc32)c1 ZINC000100654964 HF Annotated Anodyne COC(=O)c1cccc(-n2c(=O)n(C[C@H]3C[C@@H]4CC[C@@H]3C4)c(=O)c3cccnc32)c1 ZINC000100654968 HF Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(OC(F)F)cc1)C1=C(O)CCCC1=N2 ZINC000100703233 HF Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(OC(F)F)cc1)C1=C(O)CCCC1=N2 ZINC000100703235 HF Annotated Anodyne CCc1nnc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2C)s1 ZINC000100705080 HF Annotated Anodyne COC1=Nc2ccccc2C2=N[C@H](CN3CCN(c4ccc(OC)cc4)CC3)CN12 ZINC000100740200 HF Annotated Clean COC1=Nc2ccccc2C2=N[C@@H](CN3CCN(c4ccc(OC)cc4)CC3)CN12 ZINC000100740203 HF Annotated Clean COC1=Nc2ccccc2C2=N[C@H](CN3CCN(c4cccc(OC)c4)CC3)CN12 ZINC000100740240 HF Annotated Anodyne COC1=Nc2ccccc2C2=N[C@@H](CN3CCN(c4cccc(OC)c4)CC3)CN12 ZINC000100740244 HF Annotated Anodyne CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccccc1F ZINC000100756452 HF Annotated Anodyne CC1(C)[C@@H](OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c2ccccc2F)[C@]2(C)CC[C@@H]1C2 ZINC000100756455 HF Annotated Anodyne COc1cc(OC)c(N/N=C2\CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)cc1Cl ZINC000100762499 HF Annotated Mild COc1cc(OC)c(N/N=C2/CC[C@H](C)n3c2ncc(C(=O)O)c3=O)cc1Cl ZINC000100762509 HF Annotated Mild C[S@@](=O)c1ccc(-c2c(-c3ccc([S@](C)=O)cc3)nc3n2CC[S@@]3=O)cc1 ZINC000100765014 HF Annotated Anodyne C[S@@](=O)c1ccc(-c2nc3n(c2-c2ccc([S@@](C)=O)cc2)CC[S@@]3=O)cc1 ZINC000100765015 HF Annotated Anodyne C[S@@](=O)c1ccc(-c2nc3n(c2-c2ccc([S@@](C)=O)cc2)CC[S@]3=O)cc1 ZINC000100765020 HF Annotated Anodyne O=c1c(NC/C=C\COc2csc(CN3CCCCC3)c2)c(NCCF)c1=O ZINC000100801229 HF Annotated Anodyne C=CCNc1c(NC/C=C\COc2csc(CN3CCCCC3)c2)c(=O)c1=O ZINC000100801591 HF Annotated Mild CC(=O)CC(=O)O[C@]1(C)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000100839081 HF Annotated Reactive CC(=O)CC(=O)O[C@@]1(C)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000100839082 HF Annotated Reactive O=C1C=CC2(Oc3cccc4cccc(c34)O2)C2=C1[C@@H](O)[C@H]1[C@H]3C=C[C@@H](C3)[C@H]1[C@H]2O ZINC000100842243 HF Annotated Mild O=C1C=CC2(Oc3cccc4cccc(c34)O2)C2=C1[C@@H](O)[C@@H]1[C@H]([C@H]3C=C[C@H]1C3)[C@H]2O ZINC000100842245 HF Annotated Mild CC[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CCO1 ZINC000100846864 HF Annotated Anodyne CC[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CCO1 ZINC000100846867 HF Annotated Anodyne C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)C[C@@H](C)O1 ZINC000100850576 HF Annotated Anodyne C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)C[C@H](C)O1 ZINC000100850582 HF Annotated Anodyne C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)C[C@@H](C)O1 ZINC000100850588 HF Annotated Anodyne Cc1oc2c(N3CCN(C4CC4)CC3)c(F)c(F)c3c(=O)c(C(=O)O)cn(c1C)c23 ZINC000100869816 HF Annotated Anodyne CN(C)CCCNc1ccc(CNS(C)(=O)=O)c2sc3ccccc3c(=O)c12 ZINC000100892920 HF Annotated Bother CCOC(=O)C1=C[C@H]2C(=O)c3ncccc3C(=O)[C@@H]2C(c2ccc(N(C)C)cc2)=N1 ZINC000100985944 HF Annotated Anodyne CCOC(=O)C1=C[C@@H]2C(=O)c3ncccc3C(=O)[C@@H]2C(c2ccc(N(C)C)cc2)=N1 ZINC000100985947 HF Annotated Anodyne CCOC(=O)C1=C[C@@H]2C(=O)c3ncccc3C(=O)[C@H]2C(c2ccc(N(C)C)cc2)=N1 ZINC000100985950 HF Annotated Anodyne CCCCNn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101003401 HF Annotated Anodyne CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cccnc21 ZINC000101010954 HF Annotated Anodyne CN(C)/C=N\C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)/N=C\N(C)C ZINC000101031805 HF Annotated Mild CC(=O)NC1=CC(=O)c2ccc(-c3[nH]c(CO)cc4c5ccccc5nc3-4)nc2C1=O ZINC000101031822 HF Annotated Mild CC(C)COC(=O)c1ccc2c(c1)[C@H](/C=N/c1ccc(S(N)(=O)=O)cc1)C(=O)N2 ZINC000101032209 HF Annotated Mild CC(C)COC(=O)c1ccc2c(c1)[C@@H](/C=N/c1ccc(S(N)(=O)=O)cc1)C(=O)N2 ZINC000101032211 HF Annotated Mild O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1NCC1CCC1 ZINC000101033566 HF Annotated Anodyne CSCCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101035006 HF Annotated Anodyne N#CCCCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101035706 HF Annotated Mild Nc1ccc2c(c1)c(O)c(C1=NS(=O)(=O)c3ccccc3N1)c(=O)n2CCC1CC1 ZINC000101036715 HF Annotated Anodyne C#CCCCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101037258 HF Annotated Mild COC(=O)CCCC(=O)O[C@H]1C[C@H]2/C=C/CCC[C@H](C)OC(=O)/C=C/[C@@H](O)[C@@H]2C1 ZINC000101048625 HF Annotated Anodyne COC(=O)CCCC(=O)O[C@@H]1/C=C/C(=O)O[C@@H](C)CCC/C=C/[C@@H]2C[C@H](O)C[C@H]21 ZINC000101055719 HF Annotated Anodyne COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C[C@@H](O)C2=O)cc1[N+](=O)[O-] ZINC000101070938 HF Annotated Mild O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1Cc1ccoc1 ZINC000101077562 HF Annotated Anodyne N#CCCCCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101077629 HF Annotated Mild C[C@@H]1C[C@@H]1Cn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101077826 HF Annotated Anodyne C[C@H]1C[C@@H]1Cn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101077829 HF Annotated Anodyne C[C@@H]1C[C@H]1Cn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101077832 HF Annotated Anodyne C[C@H]1C[C@H]1Cn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101077834 HF Annotated Anodyne CC(=O)N1C(=O)[C@@H]([C@H]2SC(=S)N(CCCCCC(=O)O)C2=O)c2ccccc21 ZINC000101098042 HF Annotated Clean CC(=O)N1C(=O)[C@H]([C@@H]2SC(=S)N(CCCCCC(=O)O)C2=O)c2ccccc21 ZINC000101098051 HF Annotated Clean O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccc(I)c(Cl)c1 ZINC000101159968 HF Annotated Anodyne O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccc(I)c(Cl)c1 ZINC000101159971 HF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](C(=O)[C@@H]1CCCN1)/C(O)=C(\C#N)c1ccc([N+](=O)[O-])cc1 ZINC000101177484 HF Annotated Reactive CC(C)(C)OC(=O)N[C@@H](C(=O)[C@H]1CCCN1)/C(O)=C(\C#N)c1ccc([N+](=O)[O-])cc1 ZINC000101177487 HF Annotated Reactive C[C@@H]1CC=C(Nc2cccc(I)c2)c2ncc(C(=O)O)c(=O)n21 ZINC000101198643 HF Annotated Anodyne C[C@H]1CC=C(Nc2cccc(I)c2)c2ncc(C(=O)O)c(=O)n21 ZINC000101198646 HF Annotated Anodyne CC[C@@H]1CN2CC3=C(O)[C@H]4C(OC)=CC=C[C@H]4N=C3[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000101211648 HF Annotated Anodyne CC[C@@H]1CN2CC3=C(O)[C@@H]4C(OC)=CC=C[C@H]4N=C3[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000101211651 HF Annotated Anodyne N#CCCNc1c(NC/C=C\COc2csc(CN3CCCCC3)c2)c(=O)c1=O ZINC000101225378 HF Annotated Mild C[C@@]1(C(=O)O)OC[C@H](CCCCCCc2ccc(OS(C)(=O)=O)cc2)CO1 ZINC000101226387 HF Annotated Anodyne O=C(OCN1C(=O)C2=C([C@@H]3CC[C@@H]2C3)S1(=O)=O)c1c(Cl)cccc1Cl ZINC000101257495 HF Annotated Anodyne O=C(OCN1C(=O)C2=C([C@H]3CC[C@H]2C3)S1(=O)=O)c1c(Cl)cccc1Cl ZINC000101257507 HF Annotated Anodyne O=C(C1CCC(CNc2c(N3CCCC3)c(=O)c2=O)CC1)N1CCc2ccccc21 ZINC000101272397 HF Annotated Anodyne C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CCO1 ZINC000101288981 HF Annotated Anodyne C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CCO1 ZINC000101288984 HF Annotated Anodyne C=CCC1=C[C@]2(OC)C(=O)[C@@](OC)(C1=O)[C@H](c1cc(OC)c3c(c1)OCO3)[C@H]2C ZINC000101299562 HF Annotated Mild C=CCC1=C[C@@]2(OC)[C@@H](C)[C@H](c3cc(OC)c(OC)c(OC)c3)[C@](OC)(C1=O)[C@@H]2O ZINC000101299590 HF Annotated Mild Cc1c[nH]c2c1[C@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(N)=O)ccc4[nH]1)C3=CC2=O ZINC000101333913 HF Annotated Mild Cc1c[nH]c2c1[C@@]13C[C@H]1CN(C(=O)c1cc4cc(NC(N)=O)ccc4[nH]1)C3=CC2=O ZINC000101333916 HF Annotated Mild CC(C)[C@@](O)(C[C@H]1C(=O)/C(=C(\O)[C@@H]2[C@H](C)C=C[C@@H]3CCCC[C@H]32)C(=O)N1C)C(=O)O ZINC000101340033 HF Annotated Mild Cc1[nH]ncc1S(=O)(=O)N(C)[C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1 ZINC000101403145 HF Annotated Anodyne Cc1ccc(C(=O)NNC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1C ZINC000101406255 HF Annotated Reactive Cc1ccc(C(=O)NNC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1C ZINC000101406257 HF Annotated Reactive C[C@]12CC[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(I)c3)C(=O)[C@@H]12 ZINC000101445112 HF Annotated Mild C[C@@]12CC[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(I)c3)C(=O)[C@@H]12 ZINC000101445115 HF Annotated Mild Cc1nc(O[C@H]2C(C)(C)[C@H](NC(=O)c3cnc4ncccn34)C2(C)C)ccc1C#N ZINC000101451976 HF Annotated Mild CC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H](N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)CC2)cn1 ZINC000101472760 HF Annotated Anodyne OCCOCN1CNc2c1nc1nc(-c3ccc(-c4ccccc4)cc3)cn1c2O ZINC000101473117 HF Annotated Anodyne CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(C[C@H](O)Cc3ccccc3)C[C@H]21 ZINC000101473510 HF Annotated Anodyne CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(C[C@@H](O)Cc3ccccc3)C[C@H]21 ZINC000101473512 HF Annotated Anodyne COC/C=C1\CN2[C@H]3C[C@@]45C(=Nc6cc(OC)c(OC)c(OC)c64)OC[C@@H]3[C@H]1C[C@@H]25 ZINC000101479430 HF Annotated Anodyne CC(=O)CC(=O)O[C@]1(C)CC[C@@H]2C[C@@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 ZINC000101496538 HF Annotated Reactive CC(=O)CC(=O)O[C@@]1(C)CC[C@@H]2C[C@@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 ZINC000101496539 HF Annotated Reactive COCCNC(=O)c1c(NC(=O)C23C[C@H]4CC2C[C@@H](C4)C3)sc2c1CCOC2 ZINC000101500824 HF Annotated Anodyne COCCNC(=O)c1c(NC(=O)C23C[C@@H]4CC2C[C@H](C4)C3)sc2c1CCOC2 ZINC000101500829 HF Annotated Anodyne COC1(OC)N=C(NC(=O)Nc2ccccc2)[C@@]2(C#N)[C@@H](c3ccccc3)[C@]12C#N ZINC000101505434 HF Annotated Mild COC1(OC)N=C(NC(=O)Nc2ccccc2)[C@@]2(C#N)[C@H](c3ccccc3)[C@]12C#N ZINC000101505437 HF Annotated Mild CC1=Nc2c(c(=O)n(C)c(=O)n2C)[C@H](c2cccnc2)/C1=C(/O)OCc1ccccc1 ZINC000101524914 HF Annotated Anodyne CC1=Nc2c(c(=O)n(C)c(=O)n2C)[C@@H](c2cccnc2)/C1=C(/O)OCc1ccccc1 ZINC000101524920 HF Annotated Anodyne C=C1CC(=O)[C@H]2C(C)(C)[C@@H](Cl)[C@H](Cl)C[C@]2(C)[C@H]1C[C@H](O)[C@H]1CC(=O)NC1=O ZINC000101537419 HF Annotated Reactive Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)N[C@@H]1CC[C@@H](O)CC1 ZINC000101543612 HF Annotated Anodyne Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@]1(C)C(=O)N[C@@H]1CC[C@@H](O)CC1 ZINC000101543657 HF Annotated Anodyne Cc1cc(S(=O)(=O)Nc2nc3scc(C)c3c(=O)n2N)c(S)cc1Cl ZINC000101552887 HF Annotated Anodyne CC(C)C[C@@]12NC(=O)[C@H](C[C@@]13C(=O)Nc1ccccc13)n1c2nc2ccccc2c1=O ZINC000101573327 HF Annotated Anodyne O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnc(NC2COC2)nc1C1CCCC1 ZINC000101584766 HF Annotated Anodyne O=C(N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(NC2COC2)nc1C1CCCC1 ZINC000101584771 HF Annotated Anodyne O=C(N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2)c1cnc(NC2COC2)nc1C1CCCC1 ZINC000101584778 HF Annotated Anodyne O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(NC2COC2)nc1C1CCCC1 ZINC000101584785 HF Annotated Anodyne C[C@H](O)CNc1ncc(C(=O)N[C@H]2[C@H]3CC4C[C@@H]2C[C@](O)(C4)C3)c(C2CCCC2)n1 ZINC000101585174 HF Annotated Anodyne Cc1ccc(C(=O)NNC(=O)CSc2n[nH]c3c4cc(C)ccc4nc-3n2)cc1 ZINC000101630048 HF Annotated Reactive aggregator C=C(C(=O)OC)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O2)[C@@H](OC(C)=O)C/C=C(\C)[C@H](O)C1 ZINC000101638107 HF Annotated Mild Nc1nn2c(O)cc(-c3ccccc3)nc2c1/N=N/c1ccc(S(N)(=O)=O)cc1 ZINC000101640759 HF Annotated Clean C[C@@H]1CCC[C@H](NC(=O)C2CCC(C/N=c3/c(N4CCCC4)c(O)c3=O)CC2)[C@@H]1C ZINC000101646527 HF Annotated Anodyne C[C@@H]1CCC[C@@H](NC(=O)C2CCC(C/N=c3/c(N4CCCC4)c(O)c3=O)CC2)[C@@H]1C ZINC000101646535 HF Annotated Anodyne C=C[C@@]1(C)CC[C@H]2[C@](C)(COC(C)=O)[C@H]3C=C4C=C(OC)OC(=O)[C@@H]1[C@@]42OC3=O ZINC000101652818 HF Annotated Mild CC1=C[C@@H]2[C@@H]([C@H]3[C@@H]4[C@H]5C(=O)O[C@@H]6CC[C@@](C)(O[C@@H]5[C@@H]6C)[C@@H]4C[C@@H]13)[C@H](O)[C@@H](C)[C@@H]2O ZINC000101653095 HF Annotated Anodyne CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 ZINC000101656659 HF Annotated Anodyne CC1=C[C@H]2[C@@H](O)[C@H](C)[C@@H](O)[C@@H]2[C@H]2[C@@H]3C4=C5O[C@](C)(CC[C@@H](OC4=O)[C@H]5C)[C@@H]3C[C@@H]12 ZINC000101659510 HF Annotated Anodyne CC1=Nc2c(c(=O)n(C)c(=O)n2C)[C@H](c2ccccn2)/C1=C(\O)OCc1ccccc1 ZINC000101662116 HF Annotated Anodyne CC1=Nc2c(c(=O)n(C)c(=O)n2C)[C@@H](c2ccccn2)/C1=C(\O)OCc1ccccc1 ZINC000101662123 HF Annotated Anodyne CCc1ccc(-n2c(SCC(=O)Nc3cc(C)[nH]n3)nc3nncc-3c2O)cc1 ZINC000101662601 HF Annotated Anodyne COc1cc(/C=C2/C(=O)OC[C@H]2Cc2cc(OC)c3c(c2)OCO3)cc(OC)c1O ZINC000101664178 HF Annotated Anodyne CCCCc1c(O)n(-c2ccccc2C)c(SCC(=O)N2CCOCC2)nc1=O ZINC000101670401 HF Annotated Anodyne CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(c1ncc(OCc3ccncc3C#N)cn1)C2 ZINC000101677680 HF Annotated Mild CC(C)C[C@@]12NC(=O)[C@H](C[C@]13C(=O)Nc1ccccc13)n1c2nc2ccccc2c1=O ZINC000101685691 HF Annotated Anodyne CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5cc(OC)c(OC)cc5c4CCN([C@@H]13)[C@@H]2O ZINC000101703209 HF Annotated Anodyne CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5cc(OC)c(OC)cc5c4CCN([C@H]2O)[C@@H]13 ZINC000101703216 HF Annotated Anodyne C[C@H](O)C[C@@H]1C/C=C/C=C/C=C/[C@H](O)C[C@H](O)C[C@H](O)C/C=C/C=C/C=C/C(=O)O1 ZINC000101708197 HF Annotated Anodyne COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 ZINC000101721936 HF Annotated Anodyne COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)c1 ZINC000101721943 HF Annotated Anodyne Cc1cc2c(cc1C)[n+]([O-])c(NS(=O)(=O)c1ccc3ccccc3c1)c(C#N)[n+]2[O-] ZINC000101726534 HF Annotated Mild CC[C@@H](C)NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(OC)cc1 ZINC000101727387 HF Annotated Anodyne CC[C@H](C)NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(OC)cc1 ZINC000101727391 HF Annotated Anodyne C[C@@H]1CCCN(C(=O)C2CCC(C/N=c3/c(N4CCCCC4)c(O)c3=O)CC2)C1 ZINC000101734973 HF Annotated Anodyne C[C@H]1CCCN(C(=O)C2CCC(C/N=c3/c(N4CCCCC4)c(O)c3=O)CC2)C1 ZINC000101734979 HF Annotated Anodyne CC(=O)c1ccc([C@H]2C[C@@]34CN(C(=O)OC(C)(C)C)S(=O)(=O)[C@H]3C[C@H]2O4)cc1 ZINC000101737568 HF Annotated Anodyne COc1cc2c(cc1OC)[S@](C)(=O)=NC(N1CCN(c3ccccc3)CC1)=N2 ZINC000101770834 HF Annotated Anodyne COc1cc2c(cc1OC)[S@@](C)(=O)=NC(N1CCN(c3ccccc3)CC1)=N2 ZINC000101770839 HF Annotated Anodyne Cc1ccc(CNC(=O)c2ccc(C/N=c3/c(N4CCCC4)c(O)c3=O)cc2)cc1 ZINC000101830907 HF Annotated Anodyne COC(=O)C1=C(O)/C(=C\c2ccc(CNS(=O)(=O)c3ccccc3)o2)N=C1C ZINC000101848936 HF Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2C2=NO[C@H]3C(=O)N(C)C(=O)[C@H]23)cc1 ZINC000101851070 HF Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2C2=NO[C@@H]3C(=O)N(C)C(=O)[C@H]23)cc1 ZINC000101851075 HF Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2C2=NO[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000101851078 HF Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2C2=NO[C@@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000101851084 HF Annotated Anodyne CC(C)OC(=O)N1C[C@@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000101858283 HF Annotated Anodyne CC(C)OC(=O)N1C[C@H]2Cc3[nH]ncc3[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000101858292 HF Annotated Anodyne CCC(=O)N1CCN(CC/N=C/C2=C(O)C[C@H](c3ccc(OC)cc3)CC2=O)CC1 ZINC000101882671 HF Annotated Mild CCN(CC)c1ccc(-c2cn3c(=O)c4ncn([C@H]5C=C[C@@H](CO)C5)c4nc3[nH]2)cc1 ZINC000101888064 HF Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)C2CCC(C/N=c3/c(N4CCCCC4)c(O)c3=O)CC2)C1 ZINC000101895476 HF Annotated Anodyne C[C@H]1C[C@H](C)CN(C(=O)C2CCC(C/N=c3/c(N4CCCCC4)c(O)c3=O)CC2)C1 ZINC000101895483 HF Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)C2CCC(C/N=c3/c(N4CCCCC4)c(O)c3=O)CC2)C1 ZINC000101895486 HF Annotated Anodyne COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)NCc3ccccn3)[C@H]3C=C[C@H]2C3)c(OC)c1 ZINC000101903680 HF Annotated Anodyne COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)NCc3ccccn3)[C@H]3C=C[C@H]2C3)c(OC)c1 ZINC000101903686 HF Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(OC)c(OC)c1OC ZINC000101906690 HF Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000101906693 HF Annotated Anodyne CCOC(=O)Cn1c(O)c(/N=N/C(=O)CNC(=O)Cc2ccccc2)c2ccccc21 ZINC000101912080 HF Annotated Clean O=C(CSc1nc2nncc-2c(O)n1-c1ccccc1)NCCc1ccccc1 ZINC000101924165 HF Annotated Anodyne C[C@@H]1CCC[C@H](NC(=O)c2ccc(C/N=c3/c(N4CCCC4)c(O)c3=O)cc2)[C@@H]1C ZINC000101927327 HF Annotated Anodyne C[C@@H]1CCC[C@@H](NC(=O)c2ccc(C/N=c3/c(N4CCCC4)c(O)c3=O)cc2)[C@@H]1C ZINC000101927332 HF Annotated Anodyne Cc1cccc(OCC(=O)NCC(=O)/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000101940558 HF Annotated Clean COc1cc2c(cc1OC)C(/C=C(\O)c1cccc(S(=O)(=O)N(C)C)c1)=NCC2 ZINC000101941668 HF Annotated Anodyne CCOC(=O)/N=C(/NC1=NC(=O)CN1c1ccc(Cl)c(Cl)c1)NC(C)C ZINC000102004373 HF Annotated Mild COCCOC(=O)[C@@]12C[C@@H]3C[C@H](CCOC)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 ZINC000102035268 HF Annotated Anodyne CC1=C[C@@H]2/C=C(/C)CC[C@H](O)[C@H](O)/C=C/C(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000102037844 HF Annotated Anodyne CC1=C[C@@H]2/C=C(/C)CC[C@H](O)[C@H](O)/C=C/C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000102037862 HF Annotated Mild CC(C)CCN1C(=O)/C(=N\NC(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21 ZINC000102051419 HF Annotated Reactive Cc1noc([C@@H]2C[C@@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000102074569 HF Annotated Anodyne Cc1noc([C@H]2C[C@@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000102074574 HF Annotated Anodyne C=C1C(=O)[C@@]23[C@@H]4C[C@@H]5C(C)(C)CCC[C@@]5([C@@H](OC)O4)[C@@H]2[C@@H](OC(C)=O)C[C@@H]1[C@H]3O ZINC000102078355 HF Annotated Mild Cc1ccc(CN2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccc(F)cc3)[C@@H]4C2=O)cc1 ZINC000102128455 HF Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@H](O3)[C@H](C(=O)NCc3ccc(F)cc3)[C@@H]4C2=O)cc1 ZINC000102128458 HF Annotated Anodyne CN(C)/C=N\C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)/N=C\N(C)C ZINC000102147150 HF Annotated Mild CN(C)/C=N\C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)/N=C\N(C)C ZINC000102147155 HF Annotated Mild O=C1C[C@@H](Cc2ccccc2)C(=O)N1OS(=O)(=O)c1ccc(Br)cc1 ZINC000102175577 HF Annotated Mild Cc1c(C(=O)NCc2ccc(Br)cc2)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-] ZINC000102233452 HF Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000102255681 HF Annotated Anodyne CCOC(=O)[C@H]1C[C@@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000102255687 HF Annotated Anodyne CCOC(=O)C1=C(COC(=O)C23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)NC(=O)N[C@@H]1C ZINC000102321110 HF Annotated Anodyne CC1=C[C@@H]2/C=C(\C)CC[C@H](O)[C@@H](O)/C=C/C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000102323067 HF Annotated Mild C[C@H]1CCCN(C(=O)C2CCC(CNc3c(N4CCCCC4)c(=O)c3=O)CC2)C1 ZINC000102323798 HF Annotated Anodyne CCn1c(SCC(=O)N2C[C@H](C)O[C@H](C)C2)nc2c3ccccc3nc-2c1O ZINC000102338590 HF Annotated Anodyne CCn1c(SCC(=O)N2C[C@@H](C)O[C@H](C)C2)nc2c3ccccc3nc-2c1O ZINC000102338593 HF Annotated Anodyne CCn1c(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)nc2c3ccccc3nc-2c1O ZINC000102338597 HF Annotated Anodyne Cc1cnc(C(=O)OCC(=O)/N=c2\sccn2Cc2ccccc2Cl)cn1 ZINC000102360974 HF Annotated Anodyne Cc1cccc(OCC(=O)NCC(=O)/N=N\c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000102414239 HF Annotated Clean CCOC(=O)Cn1c(O)c(/N=N\C(=O)CNC(=O)Cc2ccccc2)c2ccccc21 ZINC000102429001 HF Annotated Clean CCSc1ccc([C@@H]2[C@@H]3C(=O)N(CC)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCCN23)cc1 ZINC000102432033 HF Annotated Anodyne Nc1nn2c(O)cc(-c3ccccc3)nc2c1/N=N\c1ccc(S(N)(=O)=O)cc1 ZINC000102438320 HF Annotated Clean CCCN(C(=O)[C@H]1CC(=O)N(c2ccccc2[C@H](C)CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000102509550 HF Annotated Anodyne COC(=O)c1nc2n(n1)[C@H](c1ccc(OC)c(OC)c1OC)C1=C(O)CCCC1=N2 ZINC000102596831 HF Annotated Anodyne COC(=O)c1nc2n(n1)[C@@H](c1ccc(OC)c(OC)c1OC)C1=C(O)CCCC1=N2 ZINC000102596833 HF Annotated Anodyne C/N=c1\c(NS(=O)(=O)c2cc(NC(C)=O)ccc2C)c(O)oc2ccccc12 ZINC000102610041 HF Annotated Anodyne COC(=O)[C@@]12CCCN1[C@H](c1ccc(-c3ccccc3)cc1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000102621679 HF Annotated Anodyne CC(=O)N1CCN(CC/N=C/C2=C(O)C[C@H](c3ccc(Cl)cc3)CC2=O)CC1 ZINC000102656755 HF Annotated Mild Cc1cs/c(=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1Cc1ccco1 ZINC000102701685 HF Annotated Anodyne CC(=N)/C(C#N)=C(/O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000102714193 HF Annotated Reactive O=C(COC(=O)c1ccc(O)cc1O)/N=c1\sccn1Cc1ccccc1Cl ZINC000102732944 HF Annotated Anodyne CC1(C)CC(=O)C2=C(C1)Nc1nc3[nH]ncn3c(=O)c1[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000102808549 HF Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1nc3[nH]ncn3c(=O)c1[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000102808552 HF Annotated Mild Cc1n[nH]c2nc3c(c(=O)n12)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N3 ZINC000102809083 HF Annotated Mild Cc1n[nH]c2nc3c(c(=O)n12)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N3 ZINC000102809085 HF Annotated Mild O=C(N/N=C\c1ccc(O)cc1O)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000102815323 HF Annotated Reactive CC1=Nc2c(c(=O)n(C)c(=O)n2C)[C@H](c2cccnc2)/C1=C(\O)OCc1ccccc1 ZINC000102834661 HF Annotated Anodyne CC1=Nc2c(c(=O)n(C)c(=O)n2C)[C@@H](c2cccnc2)/C1=C(\O)OCc1ccccc1 ZINC000102834662 HF Annotated Anodyne C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)c1ccccc1Cl ZINC000102836157 HF Annotated Reactive C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)c1ccc(Cl)cc1 ZINC000102836543 HF Annotated Reactive CN1C(=O)[C@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)[C@@H]2C1=O ZINC000102901288 HF Annotated Anodyne CN1C(=O)[C@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)[C@H]2C1=O ZINC000102901292 HF Annotated Anodyne CN1C(=O)[C@H]2C(c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)=NO[C@H]2C1=O ZINC000102901295 HF Annotated Anodyne CN1C(=O)[C@@H]2ON=C(c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)[C@H]2C1=O ZINC000102901299 HF Annotated Anodyne N[C@H]1C/C(=N\O)c2c(I)sc(I)c21 ZINC000102918701 HF Annotated Mild N[C@@H]1C/C(=N\O)c2c(I)sc(I)c21 ZINC000102918703 HF Annotated Mild C[C@@H](Oc1ccccc1Cl)C(=O)NN1C(=O)CC(=O)N(c2ccccc2)C1=S ZINC000102934074 HF Annotated Anodyne O=C(Nc1ccc(Cl)cc1Cl)C(=O)Nn1c(S)nc2ccccc2c1=O ZINC000102938650 HF Annotated Anodyne N/C(=N/O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)/C(=N/O)c2ccccc2-3)c1 ZINC000102939830 HF Annotated Mild c1ccc(CN[C@@H]2C[C@H](NCc3ccccn3)C[C@H](NCc3ccccn3)C2)nc1 ZINC000102940231 HF Annotated Anodyne C[C@@H]1CCC[C@H](NC(=O)c2ccc(C/N=c3\c(N4CCCC4)c(O)c3=O)cc2)[C@@H]1C ZINC000102941437 HF Annotated Anodyne C[C@H]1CCC[C@H](NC(=O)c2ccc(C/N=c3\c(N4CCCC4)c(O)c3=O)cc2)[C@@H]1C ZINC000102941439 HF Annotated Anodyne C[C@@H]1CCC[C@@H](NC(=O)c2ccc(C/N=c3\c(N4CCCC4)c(O)c3=O)cc2)[C@@H]1C ZINC000102941441 HF Annotated Anodyne C[C@H]1CCC[C@@H](NC(=O)c2ccc(C/N=c3\c(N4CCCC4)c(O)c3=O)cc2)[C@@H]1C ZINC000102941442 HF Annotated Anodyne O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2)N1n1c(=O)cn[nH]c1=S ZINC000102949115 HF Annotated Clean COC(=O)[C@]1(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)C[C@H]2C=C[C@H]1NC2 ZINC000102950589 HF Annotated Anodyne COC(=O)[C@@]1(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)C[C@H]2C=C[C@H]1NC2 ZINC000102950590 HF Annotated Anodyne O=C1c2c(Br)sc(Br)c2[C@@H](NC(=O)C(F)(F)F)[C@@H]1O ZINC000102951162 HF Annotated Anodyne C=C(C)[C@H]1c2cc(C(=O)OC)c(o2)C[C@H](C(=C)C)[C@@H](O)/C=C2\C(=O)O[C@@H]1[C@@H]2N(C)C ZINC000102954043 HF Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(C)=O)C/C=C(\C)[C@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@H]12 ZINC000102956644 HF Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(C)=O)C/C=C(\C)[C@@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@H]12 ZINC000102956646 HF Annotated Anodyne COc1nc(O[C@H]2C(C)(C)[C@H](NC(=O)c3cnc4ncccn34)C2(C)C)ccc1C#N ZINC000102966984 HF Annotated Mild COC1(OC)C[C@@H]2C=C(S(=O)(=O)c3ccccc3)[C@@H]1N(Cc1ccccc1)C2=O ZINC000102982878 HF Annotated Anodyne COC1(OC)C[C@H]2C=C(S(=O)(=O)c3ccccc3)[C@H]1N(Cc1ccccc1)C2=O ZINC000102982881 HF Annotated Anodyne CC[C@]1(OC)CC[C@]2(CO1)[C@@H]1CCC3=C4[C@@H](CC3=O)[C@H](C(=O)OC)C[C@@]42CN(C)C1 ZINC000102989704 HF Annotated Mild N/C(=N/O)c1ccccc1S(=O)(=O)Nc1ccc2c(c1)/C(=N/O)c1ccccc1-2 ZINC000103013325 HF Annotated Mild O[C@]1(c2c(F)c(F)c(F)c(F)c2F)[C@H]2[C@H]3C[C@H]4[C@@H]5[C@H](Br)[C@@](O)([C@H]24)[C@@H]1[C@@H]35 ZINC000103014158 HF Annotated Unstable COc1ccc(/C(C#N)=C2/O/C(=N/N)[C@@H](c3ccc(OC)c(OC)c3)C2=O)cc1OC ZINC000103014962 HF Annotated Reactive CCCCc1c(O)n(-c2ccc(C)cc2)c(SCC(=O)N2CCOCC2)nc1=O ZINC000103046190 HF Annotated Anodyne COCCn1c(SCC(=O)Nc2cc(C)on2)nc2c3ccccc3nc-2c1O ZINC000103062351 HF Annotated Anodyne CCOC(=O)c1[nH]c(C)c2c1CCc1cc(S(=O)(=O)c3ccccc3)c(=O)[nH]c1-2 ZINC000103064554 HF Annotated Anodyne COC(=O)c1cc(CO[P@](N)(=O)N(CCCl)CCCl)ccc1[N+](=O)[O-] ZINC000103075278 HF Annotated Reactive CCOc1ccc([C@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)cc1 ZINC000103090036 HF Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@H]2c2ccccc2)cc1 ZINC000103101395 HF Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccccc2)cc1 ZINC000103101398 HF Annotated Mild C=C(O)OC[C@]12CC[C@H]3O[C@]3(C)CC[C@@H]3O[C@]3(C)CC[C@H]([C@]3(C)CO3)[C@@H](O)[C@H]1O2 ZINC000103103404 HF Annotated Anodyne CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)cc1 ZINC000103109493 HF Annotated Mild CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)cc1 ZINC000103109496 HF Annotated Mild C=CC[C@H]1[C@@H](C(C)(C)[C@@H](C(C)=O)C(=O)C(=O)OC)O[C@@H](C(C)(C)C)N1C(=O)OC ZINC000103133589 HF Annotated Mild C=CC[C@H]1[C@@H](C(C)(C)[C@H](C(C)=O)C(=O)C(=O)OC)O[C@@H](C(C)(C)C)N1C(=O)OC ZINC000103133594 HF Annotated Mild C=CC[C@H]1[C@@H](C(C)(C)[C@@H](C(C)=O)C(=O)C(=O)OC)O[C@H](C(C)(C)C)N1C(=O)OC ZINC000103133596 HF Annotated Mild C=CC[C@H]1[C@@H](C(C)(C)[C@H](C(C)=O)C(=O)C(=O)OC)O[C@H](C(C)(C)C)N1C(=O)OC ZINC000103133601 HF Annotated Mild COCCn1c(=O)nc(-c2ccc(NC(=O)CN(C)C)cc2)c2oc3ccccc3c21 ZINC000103135385 HF Annotated Anodyne C=C1[C@H]2CC[C@@H]3[C@](C2)(C(=O)O[C@@H]2CCC(C)(C)[C@H]4[C@H](O)O[C@@H](OC)[C@@]324)[C@@H]1OC(C)=O ZINC000103139265 HF Annotated Mild C=C1[C@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(NC(=O)N5CCOCC5)[C@H]4CC[C@]3(C2)[C@@H]1O ZINC000103144672 HF Annotated Mild O=C(c1ccc2[nH]c(=O)c3c(c2c1)CCSC3)N1CCN(c2ccncc2)CC1 ZINC000103174152 HF Annotated Anodyne CC(C)C[C@@H](C(=O)OC(C)C)S(=O)(=O)c1ncn(C(=O)N(C(C)C)C(C)C)n1 ZINC000103176619 HF Annotated Anodyne CC(C)C[C@H](C(=O)OC(C)C)S(=O)(=O)c1ncn(C(=O)N(C(C)C)C(C)C)n1 ZINC000103176622 HF Annotated Anodyne CC(C)C[C@@H](C(=O)OC(C)C)S(=O)(=O)c1ncn(C(=O)N(C)c2ccccc2)n1 ZINC000103176631 HF Annotated Anodyne CC(C)C[C@H](C(=O)OC(C)C)S(=O)(=O)c1ncn(C(=O)N(C)c2ccccc2)n1 ZINC000103176634 HF Annotated Anodyne C[C@@H]1CCC/C=C/C=C/[C@H](O)C[C@@H](O)C[C@@H]2O[C@@H]2/C=C/[C@@H](O)C/C=C/C=C\C(=O)O1 ZINC000103179299 HF Annotated Anodyne O=C(Cc1ccc(/C=C/CN2Cc3cc4ccccc4nc3C2=O)cc1)NCCO ZINC000103179337 HF Annotated Anodyne C[C@@H]1CC[C@H]2[C@@](C)(C(=O)OCCBr)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 ZINC000103188952 HF Annotated Reactive C[C@@H]1CC[C@H]2[C@@](C)(C(=O)OCCBr)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103188956 HF Annotated Reactive COc1ncc(Cl)c2nc(NS(=O)(=O)c3c(Cl)cccc3Cl)nn12 ZINC000103193989 HF Annotated Anodyne CCOc1cnc(OC)n2nc(NS(=O)(=O)c3c(Cl)cccc3Cl)nc12 ZINC000103195661 HF Annotated Anodyne CC(=O)NNC(=O)CSc1nnc(-c2nc(C(C)C)cs2)n1-c1ccccc1 ZINC000103195814 HF Annotated Reactive Cc1ccccc1CNC(=O)Cn1nc2c(c1C)N(C)S(=O)(=O)c1ccccc1-2 ZINC000103196847 HF Annotated Anodyne Cc1ccc(CNC(=O)Cn2nc3c(c2C)N(C)S(=O)(=O)c2ccccc2-3)cc1 ZINC000103196852 HF Annotated Anodyne Cc1c2c(nn1CC(=O)Nc1ccccc1F)-c1ccccc1S(=O)(=O)N2C ZINC000103196943 HF Annotated Anodyne COc1ccccc1NC(=O)Cn1nc2c(c1C)N(C)S(=O)(=O)c1ccccc1-2 ZINC000103198036 HF Annotated Anodyne C[C@H](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)NOCC(=O)O ZINC000103198172 HF Annotated Anodyne C[C@@H](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)NOCC(=O)O ZINC000103198174 HF Annotated Anodyne CCOCCOC(=O)/C(C#N)=C(\NCc1nc(-c2ccc(F)cc2)no1)SC ZINC000103200608 HF Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\NCc1nc(-c2ccc(F)cc2)no1)C(C)C ZINC000103200610 HF Annotated Reactive CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(Cc2ccccn2)CN1C ZINC000103209574 HF Annotated Anodyne Cc1nc(C(F)(F)F)cc2nc(S(=O)(=O)Nc3ccc(F)c(F)c3F)nn12 ZINC000103211132 HF Annotated Anodyne CCCCNC(=O)c1onc(CS(=O)(=O)c2ccccc2)c1C(=O)NCCCC ZINC000103211242 HF Annotated Anodyne COc1ccc(C2=NN(C(=O)NS(=O)(=O)c3ccc(C)cc3)C[C@@H]2C)c(OC)c1 ZINC000103213112 HF Annotated Anodyne COc1ccc(C2=NN(C(=O)NS(=O)(=O)c3ccc(C)cc3)C[C@H]2C)c(OC)c1 ZINC000103213115 HF Annotated Anodyne O=C(NNc1nc(Nc2ccccn2)nc(Nc2ccccc2O)n1)c1ccncc1 ZINC000103218766 HF Annotated Reactive CCN1CCN(CCCn2nc(-c3ccccc3)cc(Cc3ccccn3)c2=O)CC1 ZINC000103219387 HF Annotated Anodyne Cc1nn(CC(F)(F)F)c(CS(=O)(=O)C2=NOC(C)(C)C2)c1Br ZINC000103220298 HF Annotated Anodyne CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(OCC(F)(F)F)nc1)SC ZINC000103220947 HF Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\NCc1cnc(Br)s1)SC ZINC000103220953 HF Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(Br)nc1)SC ZINC000103222729 HF Annotated Reactive COC(=O)[C@@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC/C(=C\C(=O)N(C)CCO)[C@H](C)[C@@H]3CC[C@H]21 ZINC000103226640 HF Annotated Anodyne COc1cc2cc3c(=O)[nH]c(=O)c=3cc3cc4c(cc3c2c(OC)c1OC)OCO4 ZINC000103228566 HF Annotated Bother COc1cc2cc3c(=O)[nH]c(=O)c=3cc3cc(OC)c(OC)c(OC)c3c2cc1OC ZINC000103228572 HF Annotated Bother CN1CCN(c2ccc(-c3nnc(NC(=O)C(C)(C)C)s3)cc2[N+](=O)[O-])CC1 ZINC000103231238 HF Annotated Bother CCOC(=O)N1Cc2cc(-c3ccc(/C=C4/NC(=S)NC4=O)s3)ccc2C1=O ZINC000103234914 HF Annotated Anodyne CC(=O)c1nnn(-c2cnn(-c3ccc(Cl)cc3)c(=O)c2Br)c1C ZINC000103235295 HF Annotated Anodyne CC(=O)c1nnn(-c2cnn(CCCc3ccccc3)c(=O)c2Br)c1C ZINC000103235309 HF Annotated Anodyne CON(C)C(=O)C(=O)N(C)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000103236733 HF Annotated Anodyne C[C@@H]1CC[C@@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@]12Cc1c(O)cc3c(c1O2)CNC3=O ZINC000103237839 HF Annotated Anodyne C[C@@H]1CC[C@H]2C(C)(C)[C@@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CNC3=O ZINC000103237844 HF Annotated Anodyne C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CNC3=O ZINC000103237846 HF Annotated Anodyne N#Cc1cccc(S(=O)(=O)N(Cc2ccc(F)cc2)C[C@@H]2CCCC(=O)N2)c1 ZINC000103239893 HF Annotated Mild N#Cc1cccc(S(=O)(=O)N(CC[C@@H]2CCC(=O)N2)Cc2ccc(F)cc2)c1 ZINC000103239900 HF Annotated Mild CN1C(=O)CC[C@H]1CN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000103239906 HF Annotated Mild CCN1C(=O)CC[C@H]1CN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000103239909 HF Annotated Mild N#Cc1cccc(S(=O)(=O)N(Cc2cccc(Cl)c2)C[C@@H]2CCC(=O)N2)c1 ZINC000103239918 HF Annotated Mild N#Cc1cccc(S(=O)(=O)N(Cc2ccccc2Cl)C[C@@H]2CCC(=O)N2)c1 ZINC000103239921 HF Annotated Mild C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc(CO)c(C=O)c1O2 ZINC000103241330 HF Annotated Anodyne Nc1c(C(=O)N2CCOCC2)sc2nc(-c3cnccn3)cc(C(F)(F)F)c12 ZINC000103241926 HF Annotated Anodyne O=C(N1CCCN(C2CCC2)CC1)N1CC[C@]2(CCCN(C3CCOCC3)C2)C1 ZINC000103243051 HF Annotated Anodyne O=C(N1CCCN(C2CCC2)CC1)N1CC[C@@]2(CCCN(C3CCOCC3)C2)C1 ZINC000103243054 HF Annotated Anodyne COc1ccccc1-c1nc2c(N3CCN(C)CC3)nc(C)nc2n1C1CCOCC1 ZINC000103243428 HF Annotated Anodyne COc1cccc(-c2nc3c(N4CCN(C)CC4)nc(C)nc3n2C2CCOCC2)c1 ZINC000103243431 HF Annotated Anodyne Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3C#N)n(C3CCOCC3)c2n1 ZINC000103243434 HF Annotated Mild COCCOc1nc([C@H]2CCCO2)c(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 ZINC000103246818 HF Annotated Anodyne COCCOc1nc([C@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 ZINC000103246820 HF Annotated Anodyne COCCOc1nc([C@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)s1 ZINC000103246823 HF Annotated Anodyne CCOC(=O)C/C(=N\N=C1/NCCN1c1ccc(Cl)c(Cl)c1)C(=O)OCC ZINC000103247533 HF Annotated Mild NC(=O)c1ccc(-c2cc(C(=O)N[C@@H]3CCCC[C@H]3O)cnc2OCC2CC2)cc1 ZINC000103247939 HF Annotated Anodyne C=CC(=O)Nc1ccnc(Sc2c(OC)nc(N3CCCCC3)nc2OC)n1 ZINC000103253576 HF Annotated Anodyne Nc1nc(-c2ccc(OC[C@@H]3CCOC3)c(OC(F)(F)F)c2)c(Cl)c(=O)[nH]1 ZINC000103254692 HF Annotated Anodyne Nc1nc(-c2ccc(OC[C@H]3CCOC3)c(OC(F)(F)F)c2)c(Cl)c(=O)[nH]1 ZINC000103254694 HF Annotated Anodyne CCC(=O)Nc1cc(N)cc(Sc2ccc(N3CCN(C)CC3)nc2OC)c1 ZINC000103254930 HF Annotated Anodyne CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](CNCc3cn(-c4ccccc4)nn3)[C@@H]2CC1 ZINC000103259283 HF Annotated Anodyne CNc1nc(Nc2cnn(C3CCN(C4COC4)CC3)c2C)ncc1C(F)(F)F ZINC000103260621 HF Annotated Anodyne O=C1N[C@H](C(=O)O)Cc2cccc(c2)OC/C=C/COc2cc(C(F)(F)F)c1cn2 ZINC000103260908 HF Annotated Anodyne OCCOCCN1CCN(Cc2c(O)ccc3oc(Cc4ccccc4)cc23)CC1 ZINC000103262338 HF Annotated Clean C/C(=N\OCC(=O)Nc1ccccc1)C1=C(O)c2ccccc2S(=O)(=O)N1C ZINC000103264396 HF Annotated Mild C/C(=N\OCC(=O)Nc1cccc(F)c1)C1=C(O)c2ccccc2S(=O)(=O)N1C ZINC000103264399 HF Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1nc(SCCC(=O)N3CCOCC3)[nH]c21 ZINC000103264533 HF Annotated Clean Cc1ccc2c(c1)C(=O)C(=O)N2CCCn1cc(COc2ccc(C=O)cc2)nn1 ZINC000103265211 HF Annotated Anodyne Cc1ccc2c(c1)C(=O)C(=O)N2CCCCn1cc(COc2ccc(C=O)cc2)nn1 ZINC000103265214 HF Annotated Anodyne CN1CCN(C(=O)Sc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1 ZINC000103265432 HF Annotated Clean N#Cc1cc(Cl)cc(Oc2c(C(F)(F)F)ccn(Cc3n[nH]c(=O)[nH]3)c2=O)c1 ZINC000103265932 HF Annotated Mild CS(=O)(=O)n1c(COCCN2COc3ccccc3C2=O)cc2cc(F)ccc21 ZINC000103266600 HF Annotated Anodyne CC(C)C[C@H]1CN(C(=O)/C=C/c2ccc(S(C)(=O)=O)cc2)[C@@H](CC(C)C)C(=O)N1 ZINC000103267083 HF Annotated Anodyne CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(N)(=O)=O)cn1)n2-c1ncccn1 ZINC000103268846 HF Annotated Mild NC(=O)c1ccc(-n2nc(C(N)=O)c(C(=O)c3ccccc3)c2-c2ccccc2)cc1 ZINC000103274022 HF Annotated Anodyne Cc1cc(C)c(-c2c(OC(=O)C(C)(C)C)n3n(c2=O)CCS(=O)(=O)CC3)c(C)c1 ZINC000103276912 HF Annotated Anodyne Cc1cc(C)c(-c2c(OC(=O)C(C)(C)C)n3n(c2=O)CC[S@@](=O)CC3)c(C)c1 ZINC000103276916 HF Annotated Anodyne Cc1cc(C)c(-c2c(OC(=O)C(C)(C)C)n3n(c2=O)CC[S@](=O)CC3)c(C)c1 ZINC000103276919 HF Annotated Anodyne O=C(C[C@@H](C(=O)O)C1c2ccccc2-c2ccccc21)NNC(=O)c1ccncc1 ZINC000103278071 HF Annotated Reactive O=C(C[C@H](C(=O)O)C1c2ccccc2-c2ccccc21)NNC(=O)c1ccncc1 ZINC000103278074 HF Annotated Reactive CCOP(=O)(OCC)[C@H](O)Cn1cc(Cn2cnc3cc(C)c(C)cc32)nn1 ZINC000103279843 HF Annotated Anodyne CCOP(=O)(OCC)[C@@H](O)Cn1cc(Cn2cnc3cc(C)c(C)cc32)nn1 ZINC000103279845 HF Annotated Anodyne CCOP(=O)(C[C@H](O)Cn1cc(Cn2cnc3cc(C)c(C)cc32)nn1)OCC ZINC000103279886 HF Annotated Anodyne CCOP(=O)(C[C@@H](O)Cn1cc(Cn2cnc3cc(C)c(C)cc32)nn1)OCC ZINC000103279888 HF Annotated Anodyne Cc1cc(-c2ccccc2)nn1-c1ccc(=O)n(CC(=O)NCCc2ccccc2)n1 ZINC000103280237 HF Annotated Anodyne CCCC[C@@H]1CCC2=C(C[C@H]([C@H](O)CCCC)C3=C1C(=O)OC3=O)C(=O)OC2=O ZINC000103281791 HF Annotated Reactive CCCC[C@@H]1CCC2=C(C[C@@H]([C@H](O)CCCC)C3=C1C(=O)OC3=O)C(=O)OC2=O ZINC000103281796 HF Annotated Reactive COc1ccc2cc([C@](C)(C=O)CN3CCC[C@@H]3C(=O)NCCS)ccc2c1 ZINC000103284104 HF Annotated Mild COc1ccc2cc([C@](C)(C=O)CN3CCC[C@H]3C(=O)NCCS)ccc2c1 ZINC000103284106 HF Annotated Mild Cc1ccn2nc(S(=O)(=O)Nc3c(Br)ccc4cccnc34)nc2n1 ZINC000103284440 HF Annotated Anodyne O=C(C[C@H]1SC(=O)NC1=O)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000103284959 HF Annotated Anodyne O=C(C[C@@H]1SC(=O)NC1=O)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000103284961 HF Annotated Anodyne CCOCCc1ccc(OCCN(C(C)=O)C(=O)c2cc(CC)nn2C)c(C)c1 ZINC000103288697 HF Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CC[C@@H](OC(C)=O)[C@](O)(COC(C)=O)[C@H]1C[C@@H]3O ZINC000103291683 HF Annotated Mild N[C@@H](Cc1ccccc1)C(=O)OCCCN1N=C2c3ccccc3CC[C@H]2CC1=O ZINC000103297161 HF Annotated Anodyne N[C@H](Cc1ccccc1)C(=O)OCCCN1N=C2c3ccccc3CC[C@H]2CC1=O ZINC000103297165 HF Annotated Anodyne N[C@@H](Cc1ccccc1)C(=O)OCCCN1N=C2c3ccccc3CC[C@@H]2CC1=O ZINC000103297168 HF Annotated Anodyne N[C@H](Cc1ccccc1)C(=O)OCCCN1N=C2c3ccccc3CC[C@@H]2CC1=O ZINC000103297172 HF Annotated Anodyne Nc1nccc(-c2cn(C(=O)N3CCOCC3)c3ccc(Br)cc23)n1 ZINC000103297204 HF Annotated Anodyne CN1CCN(C(=O)n2cc(-c3ccnc(N)n3)c3cc(Br)ccc32)CC1 ZINC000103297214 HF Annotated Anodyne O=C(CN1CCN(Cc2ccccc2F)CC1)N[C@H]1c2cn[nH]c2-c2sccc21 ZINC000103300409 HF Annotated Anodyne O=C(CN1CCN(Cc2ccccc2F)CC1)N[C@@H]1c2cn[nH]c2-c2sccc21 ZINC000103300411 HF Annotated Anodyne CC(=O)N1CCC(c2nnc3cncc(OCCc4ccc(F)c(F)c4)n23)CC1 ZINC000103302976 HF Annotated Anodyne O=C(NCC1CCOCC1)c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12 ZINC000103302990 HF Annotated Anodyne C[C@@H]1OC(=O)C2=C1NC1=C([C@H]2c2ccc(F)c(Br)c2)S(=O)(=O)CC1 ZINC000103303167 HF Annotated Anodyne C[C@H]1OC(=O)C2=C1NC1=C([C@H]2c2ccc(F)c(Br)c2)S(=O)(=O)CC1 ZINC000103303169 HF Annotated Anodyne O=C1CCCC2=C1[C@H](c1cc(Br)ccc1O)C1=C(CCS1(=O)=O)N2 ZINC000103303478 HF Annotated Mild CCN1C(=O)/C(=N\NC(=O)c2ccc(CSc3nncn3C)cc2)c2ccccc21 ZINC000103461866 HF Annotated Reactive Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103521809 HF Annotated Bother Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103521813 HF Annotated Bother Cc1ccc(CNC(=O)C2CCC(C/N=c3/c(N4CCCCC4)c(O)c3=O)CC2)cc1 ZINC000103533622 HF Annotated Anodyne CC(=O)NCC/N=C/C1=C(O)c2sccc2N(Cc2cccc(F)c2)S1(=O)=O ZINC000103536996 HF Annotated Mild CC(=O)NCC/N=C/C1=C(O)c2sccc2N(Cc2ccccc2)S1(=O)=O ZINC000103537256 HF Annotated Mild COCC1=Nc2ncnn2[C@H](c2cc(Br)ccc2OC)/C1=C(/O)OC ZINC000103538657 HF Annotated Anodyne COCC1=Nc2ncnn2[C@@H](c2cc(Br)ccc2OC)/C1=C(/O)OC ZINC000103538661 HF Annotated Anodyne CC/N=C(\S)N1CCN(CC/N=C/C2=C(O)C[C@@H](c3ccccc3)CC2=O)CC1 ZINC000103540365 HF Annotated Mild C[C@H]1[C@H](O)C[C@H]([N+]2=CC=N[CH+]2)[C@H]2C[C@H](CCCCCCC[C@@H](O)CC(=O)O)C=CN12 ZINC000103573133 HF Annotated Mild in-vitro biogenic Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCc3ccccc3)[C@H]4C2=O)cc1 ZINC000103584240 HF Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCCc3ccccc3)[C@H]4C2=O)cc1 ZINC000103584245 HF Annotated Anodyne CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Br)cc1 ZINC000103629763 HF Annotated Anodyne CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Br)cc1 ZINC000103629767 HF Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(C(=O)O)cc1)C1=C(O)CC(C)(C)CC1=N2 ZINC000103663295 HF Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(C(=O)O)cc1)C1=C(O)CC(C)(C)CC1=N2 ZINC000103663299 HF Annotated Anodyne COC(=O)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000103663428 HF Annotated Anodyne COC(=O)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000103663430 HF Annotated Anodyne CCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(C(=O)O)cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103668244 HF Annotated Anodyne CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(C(=O)O)cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103668248 HF Annotated Anodyne CCn1nc(C(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc2c1=O ZINC000103681111 HF Annotated Reactive C[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)N[C@H]3CCCC[C@H]3C)cc2NC1=O ZINC000103691527 HF Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000103691534 HF Annotated Anodyne C[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)N[C@@H]3CCCC[C@H]3C)cc2NC1=O ZINC000103691539 HF Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000103691544 HF Annotated Anodyne Cc1nc2nc(C)c(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)c(=O)n2[nH]1 ZINC000103695793 HF Annotated Anodyne CCCc1nc2nc(C)c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)n2[nH]1 ZINC000103695876 HF Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1nnc(-c2ccccc2Br)o1 ZINC000103729312 HF Annotated Anodyne COc1cccc([C@@H]2C3=C(NN/C3=C3\C=CC=CC3=O)C(=O)N2Cc2ccco2)c1 ZINC000103756464 HF Annotated Mild COc1cccc([C@H]2C3=C(NN/C3=C3\C=CC=CC3=O)C(=O)N2Cc2ccco2)c1 ZINC000103756470 HF Annotated Mild CC(=O)N1N/C(=C2/C(=O)N=c3ccc(C)cc3=C2c2ccccc2)C[C@@H]1c1ccco1 ZINC000103761436 HF Annotated Anodyne CC(=O)N1N/C(=C2/C(=O)N=c3ccc(C)cc3=C2c2ccccc2)C[C@H]1c1ccco1 ZINC000103761440 HF Annotated Anodyne Cc1cc(NC(=O)CSc2nc3n(-c4cccc(Cl)c4)[nH]cc-3c(=O)n2)no1 ZINC000103780204 HF Annotated Anodyne CC(NNC(=O)c1ccc(NNC(C)=C2C=CC(=O)C=C2)cc1)=C1C=CC(=O)C=C1 ZINC000103786734 HF Annotated Reactive CC1=Nc2ccccc2/C1=C/c1c(N)n2c(S(=O)(=O)C(C)C)nsc2nc1=O ZINC000103793253 HF Annotated Anodyne CCCc1nc2nc(C)c(NS(=O)(=O)c3ccc(CC(C)C)cc3)c(=O)n2[nH]1 ZINC000103820700 HF Annotated Anodyne Cc1ccc2c(c1)=C(c1ccc(N3CCOCC3)cc1)NN=C(c1cccs1)N=2 ZINC000103823870 HF Annotated Clean O=c1nc(CSc2nc(=O)c3ccccc3[nH]2)nc2n(-c3ccccc3)[nH]cc1-2 ZINC000103854830 HF Annotated Anodyne C/C(O)=N\[C@H](C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC[C@]3(O)[C@]12C)C(C)C ZINC000103885156 HF Annotated Anodyne C/C(O)=N\[C@@H](C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC[C@]3(O)[C@]12C)C(C)C ZINC000103885162 HF Annotated Anodyne COc1ccccc1NC(=O)C1CCC(C/N=c2/c(N3CCCC3)c(O)c2=O)CC1 ZINC000103902651 HF Annotated Anodyne O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccc(F)cc2)/C1=C(/O)c1ccccc1 ZINC000103915816 HF Annotated Mild O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2ccc(F)cc2)/C1=C(/O)c1ccccc1 ZINC000103915819 HF Annotated Mild N#C/C(C(=S)Nc1ccccc1)=C1/NN=C(N2CCOCC2)N1c1ccccc1 ZINC000103916906 HF Annotated Reactive COCCN1C(SCC(=O)NCc2ccco2)=NN/C1=C1\C=Nc2ccccc21 ZINC000103917730 HF Annotated Anodyne CCCCSc1nc(=O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1C ZINC000103940546 HF Annotated Anodyne CCCCSc1nc(=O)c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1C ZINC000103940551 HF Annotated Anodyne O=C(c1cccs1)N1CCC(c2nc3n(Cc4ccccc4)[nH]nc-3c(=O)n2)CC1 ZINC000103942633 HF Annotated Anodyne Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc([C@@H]4CCCN(C(=O)CC(C)C)C4)nc2-3)c1 ZINC000103949245 HF Annotated Anodyne Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc([C@H]4CCCN(C(=O)CC(C)C)C4)nc2-3)c1 ZINC000103949250 HF Annotated Anodyne O=C(C1CCCCC1)N1CCC[C@H](c2nc3n(Cc4ccccc4)[nH]nc-3c(=O)n2)C1 ZINC000103955326 HF Annotated Anodyne O=C(C1CCCCC1)N1CCC[C@@H](c2nc3n(Cc4ccccc4)[nH]nc-3c(=O)n2)C1 ZINC000103955329 HF Annotated Anodyne CCOC(=O)[C@@]1(Cc2ccccc2)N[C@H](c2ccccc2F)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000103956901 HF Annotated Anodyne Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc([C@@H]4CCCN(C(=O)C5CCC5)C4)nc2-3)c1 ZINC000103959841 HF Annotated Anodyne Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc([C@H]4CCCN(C(=O)C5CCC5)C4)nc2-3)c1 ZINC000103959845 HF Annotated Anodyne CCc1ccccc1-n1c(SCC(=O)n2nc(N)cc2C)nc2nncc-2c1O ZINC000103976391 HF Annotated Anodyne CCc1ccc(-n2c(SCC(=O)n3nc(N)cc3C)nc3nncc-3c2O)cc1 ZINC000103976719 HF Annotated Anodyne Cc1ccc(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C)o2)c1 ZINC000103990279 HF Annotated Mild Cc1ccc(C)c(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C)o2)c1 ZINC000103990283 HF Annotated Mild CCC1=C/C(=C2\NNC(CCC(=O)O)=C2c2nc3ccccc3n2C)C(=O)C=C1O ZINC000103992902 HF Annotated Mild O=C(COc1ccc(Cl)cc1Cl)NCC(=O)NN/C=C1\C=Nc2ccccc21 ZINC000103992959 HF Annotated Reactive NC1=Nn2c(-c3ccccc3)cc(=O)nc2/C1=N/Nc1ccc(Br)cc1 ZINC000104000820 HF Annotated Mild COc1ccc(OC)c([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000104003096 HF Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000104003102 HF Annotated Anodyne CCOC1=CC(=O)/C(=C2\NC(N)=NC=C2Oc2ccccc2Br)C=C1 ZINC000104003994 HF Annotated Mild C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCCN(C)C)[C@H]3c3ccncc3)ccc2O1 ZINC000104007301 HF Annotated Mild C[C@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCCN(C)C)[C@H]3c3ccncc3)ccc2O1 ZINC000104007305 HF Annotated Mild C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCCN(C)C)[C@@H]3c3ccncc3)ccc2O1 ZINC000104007309 HF Annotated Mild C[C@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCCN(C)C)[C@@H]3c3ccncc3)ccc2O1 ZINC000104007312 HF Annotated Mild COc1cccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)c1OC ZINC000104008559 HF Annotated Anodyne COc1cccc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)c1OC ZINC000104008567 HF Annotated Anodyne Cc1nn(C)cc1CNC(=O)C1=CC2=N[C@H](c3cccs3)C[C@H](C(F)(F)F)N2N1 ZINC000104009760 HF Annotated Anodyne Cc1nn(C)cc1CNC(=O)C1=CC2=N[C@@H](c3cccs3)C[C@H](C(F)(F)F)N2N1 ZINC000104009764 HF Annotated Anodyne Cc1nn(C)cc1CNC(=O)C1=CC2=N[C@H](c3cccs3)C[C@@H](C(F)(F)F)N2N1 ZINC000104009768 HF Annotated Anodyne Cc1nn(C)cc1CNC(=O)C1=CC2=N[C@@H](c3cccs3)C[C@@H](C(F)(F)F)N2N1 ZINC000104009772 HF Annotated Anodyne Cc1c(CNC(=O)C2=CNN3C2=N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)cnn1C ZINC000104009817 HF Annotated Anodyne Cc1c(CNC(=O)C2=CNN3C2=N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)cnn1C ZINC000104009821 HF Annotated Anodyne Cc1c(CNC(=O)C2=CNN3C2=N[C@H](c2ccccc2)C[C@H]3C(F)(F)F)cnn1C ZINC000104009826 HF Annotated Anodyne Cc1c(CNC(=O)C2=CNN3C2=N[C@@H](c2ccccc2)C[C@H]3C(F)(F)F)cnn1C ZINC000104009830 HF Annotated Anodyne Cc1ccc([C@@H]2C[C@H](C(F)(F)F)N3NC(C(=O)NC[C@@H]4CCCO4)=CC3=N2)cc1 ZINC000104010477 HF Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)N3NC(C(=O)NC[C@@H]4CCCO4)=CC3=N2)cc1 ZINC000104010486 HF Annotated Anodyne CC[C@H](C)NC(=O)C1=CNN2C1=N[C@H](c1ccc3c(c1)OCO3)C[C@@H]2C(F)(F)F ZINC000104010639 HF Annotated Anodyne CC[C@H](C)NC(=O)C1=CNN2C1=N[C@@H](c1ccc3c(c1)OCO3)C[C@@H]2C(F)(F)F ZINC000104010649 HF Annotated Anodyne O=C(NC[C@@H]1CCCO1)C1=CC2=N[C@H](c3ccc(F)cc3)C[C@H](C(F)(F)F)N2N1 ZINC000104010705 HF Annotated Anodyne O=C(NC[C@@H]1CCCO1)C1=CC2=N[C@@H](c3ccc(F)cc3)C[C@H](C(F)(F)F)N2N1 ZINC000104010717 HF Annotated Anodyne NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)/C(=N/Nc2ccc(Cl)cc2)C1=O ZINC000104011593 HF Annotated Mild NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)/C(=N/Nc2cccc(Cl)c2)C1=O ZINC000104011599 HF Annotated Mild COc1cc2c3c(n/c(=C4/C=CC=CC4=O)c2cc1OC)N(c1ccccc1)NC=3C ZINC000104016462 HF Annotated Mild COc1cccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000104020407 HF Annotated Anodyne COc1cccc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000104020414 HF Annotated Anodyne O=C1C=CC(=C2NN=C(SCC(=O)Nc3ccccc3Br)O2)C=C1 ZINC000104024939 HF Annotated Mild COC1=CC(=O)/C(=C2\N=C(N)NC(C)=C2Oc2ccccc2Br)C=C1 ZINC000104028123 HF Annotated Mild COCCN1C(SCC(=O)Nc2cc(C)on2)=NN/C1=C1\C=Nc2ccccc21 ZINC000104036387 HF Annotated Anodyne COc1ccc(OC)c(N2C(SCC(N)=O)=NN/C2=C2/C=Nc3ccccc32)c1 ZINC000104037290 HF Annotated Anodyne COc1ccccc1[C@@H]1C2=C(O)c3ccccc3C2=Nc2c1c(=O)n(C)c(=O)n2C ZINC000104041488 HF Annotated Anodyne COc1ccccc1[C@H]1C2=C(O)c3ccccc3C2=Nc2c1c(=O)n(C)c(=O)n2C ZINC000104041492 HF Annotated Anodyne COc1ccc2c(c1)O[C@@]13CCN(C)C[C@H]1[C@H]2[C@H](C(=O)c1ccc(F)cc1)C(=O)N3 ZINC000104050947 HF Annotated Anodyne aggregator O=C(c1cccs1)N1CCC[C@H](c2nc3n(Cc4ccccc4)[nH]nc-3c(=O)n2)C1 ZINC000104179369 HF Annotated Anodyne O=C(c1cccs1)N1CCC[C@@H](c2nc3n(Cc4ccccc4)[nH]nc-3c(=O)n2)C1 ZINC000104179373 HF Annotated Anodyne O=S(=O)(c1ccccc1)N1C[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]21 ZINC000104231788 HF Annotated Reactive O=S(=O)(c1ccccc1)N1C[C@@H]2C[C@@H](Br)[C@@H](Br)C[C@H]21 ZINC000104231793 HF Annotated Reactive COc1cc(CN2CCN(Cc3ccc(C)cc3)[C@H](CCO)C2)cc(OC)c1O ZINC000104441236 HF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104537938 HF Annotated Mild CCCCO[C@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104537944 HF Annotated Mild CSc1ncc2c(n1)S[C@H](C(=O)N1CCN(c3cccc(Cl)c3)CC1)C2=O ZINC000104669959 HF Annotated Anodyne CSc1ncc2c(n1)S[C@@H](C(=O)N1CCN(c3cccc(Cl)c3)CC1)C2=O ZINC000104669964 HF Annotated Anodyne CC1=C[C@@H]2/C=C(\C)CC[C@@H](O)[C@@H](O)/C=C/C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000104842602 HF Annotated Mild CCOc1ccc(CNc2c3n(c(=O)n(CCOC)c2=O)[C@@H]2CCCC[C@H]2N3)cc1 ZINC000105236915 HF Annotated Anodyne CN1C[C@H](NC(=O)N(CCCl)N=O)C[C@@H]2c3cccc4c3c(cn4N=O)C[C@H]21 ZINC000105351197 HF Annotated Reactive COc1ccc2c(c1)C=C([N+](=O)[O-])[C@H]([C@@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1)O2 ZINC000105472138 HF Annotated Anodyne CCOC(=O)[C@]1(Br)[C@H](c2ccccc2)NC(=O)N[C@]1(C)Br ZINC000105498611 HF Annotated Anodyne COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)[C@@]2(O)CCCC[C@@H]2N=3)cc1 ZINC000105524301 HF Annotated Anodyne COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)[C@@]2(O)CCCC[C@H]2N=3)cc1 ZINC000105524306 HF Annotated Anodyne O=C(NCc1ccccc1Cl)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000107369305 HF Annotated Anodyne COc1cc([C@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000110651104 HF Annotated Anodyne COc1cc([C@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000110651107 HF Annotated Anodyne COc1cc([C@@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000110651110 HF Annotated Anodyne COc1cc([C@@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2cccnc2)ccc1O ZINC000110651113 HF Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000110651608 HF Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000110651612 HF Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000110651615 HF Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000110651618 HF Annotated Anodyne CN(C)CCCN1C(=O)C(=O)[C@@H](C(=O)c2cc3ccccc3o2)[C@H]1c1ccccn1 ZINC000110928148 HF Annotated Anodyne CN(C)CCCN1C(=O)C(=O)[C@@H](C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccn1 ZINC000110928153 HF Annotated Anodyne CN(C)CCCN1C(=O)C(=O)[C@H](C(=O)c2cc3ccccc3o2)[C@H]1c1ccccn1 ZINC000110928156 HF Annotated Anodyne CN(C)CCCN1C(=O)C(=O)[C@H](C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccn1 ZINC000110928160 HF Annotated Anodyne NC(=O)c1nc(-c2ccccc2)cc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12 ZINC000113199741 HF Annotated Anodyne Cc1noc(C)c1-c1cc(C(N)=O)c2[nH]c3cc(C(=O)N4CCOCC4)ccc3c2n1 ZINC000113201238 HF Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 ZINC000113409185 HF Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 ZINC000113409188 HF Annotated Mild COC1(C)CCN(c2ncc(C#Cc3ccc(C[C@@H](C)NC(C)=O)cc3)cn2)CC1 ZINC000113411709 HF Annotated Mild COC1(C)CCN(c2ncc(C#Cc3ccc(C[C@H](C)NC(C)=O)cc3)cn2)CC1 ZINC000113411712 HF Annotated Mild NCC1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cc(O)cnc23)CC1 ZINC000113651621 HF Annotated Anodyne COc1cc2ncccc2cc1NC(=O)c1csc2cnc(N(C)CCN)nc12 ZINC000113651994 HF Annotated Anodyne Cc1nc(C(=O)Nc2cc(Br)cc([C@]3(C)COCC(N)=N3)c2)c(C)o1 ZINC000113658708 HF Annotated Anodyne COCCOc1cccc(-c2ccc(OC3CN(C(=O)Nc4cnccn4)C3)nc2)c1 ZINC000114003227 HF Annotated Anodyne COCCOc1cccc(-c2ccc(OC3CN(C(=O)Nc4cccnn4)C3)nc2)c1 ZINC000114003286 HF Annotated Anodyne COc1ccc(OC)c(-c2ccc(OC3CN(C(=O)Nc4cccnn4)C3)nc2)c1 ZINC000114003346 HF Annotated Anodyne COCCOc1cccc(-c2ccc(OC3CN(C(=O)Nc4ccncn4)C3)nc2)c1 ZINC000114003410 HF Annotated Anodyne CC1(C)c2[nH]nc(NC(=O)c3cccs3)c2CN1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000114182186 HF Annotated Anodyne CC1(C)c2[nH]nc(NC(=O)c3cccs3)c2CN1C(=O)N1CCN2CCC[C@H]2C1 ZINC000114182190 HF Annotated Anodyne Cc1n[nH]c(N)c1-c1nc2ccc(CNc3cccc(S(N)(=O)=O)c3)cc2s1 ZINC000114398110 HF Annotated Anodyne Cc1cc(NS(=O)(=O)c2ccc3nc(-c4c(N)n[nH]c4C)sc3c2)nc(C)n1 ZINC000114399845 HF Annotated Anodyne Cc1n[nH]c(N)c1-c1nc2cc(F)c(S(=O)(=O)NCc3ccncc3)cc2s1 ZINC000114400854 HF Annotated Anodyne O=C(Nc1ccc(Br)cc1F)N1CCNC[C@@H]1COc1cccnc1 ZINC000114573531 HF Annotated Anodyne O=C(Nc1ccc(Br)cc1F)N1CCNC[C@H]1COc1cccnc1 ZINC000114573533 HF Annotated Anodyne CN(C)C(=O)CCn1nc(Nc2ccc3c(c2)OC(F)(F)O3)nc1-c1ccncc1 ZINC000114666003 HF Annotated Anodyne investigational Cc1nn(C2CCCCC2)c2sc(C(=O)NCCN3CC(=O)N(C)C3=O)cc12 ZINC000114712514 HF Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)NCCN3C(=O)CN(C)C3=O)cc12 ZINC000114713564 HF Annotated Anodyne CC[C@H](CN1C(=O)CNC1=O)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1 ZINC000114713742 HF Annotated Anodyne CCN1C(=O)CN(CCNC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)C1=O ZINC000114714474 HF Annotated Anodyne COc1ccc([C@H]2C[C@@H]2COc2nc(Cl)c(C)c(NCc3cnn(C)n3)n2)nc1 ZINC000114813294 HF Annotated Anodyne O=C(O)CNC(=O)c1c(=O)oc(O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc12 ZINC000114872121 HF Annotated Anodyne O=C(O)CNC(=O)c1c(=O)oc(O)c2cccc(-c3ccc(OC(F)(F)F)cc3)c12 ZINC000114873220 HF Annotated Anodyne O=C(O)CNC(=O)c1c(=O)oc(O)c2cccc(-c3ccc(C(F)(F)F)cc3)c12 ZINC000114873463 HF Annotated Anodyne O=C(O)CNC(=O)c1c(=O)oc(O)c2ccc(-c3cccc(C(F)(F)F)c3)cc12 ZINC000114873524 HF Annotated Anodyne O=C(O)CNC(=O)c1c(=O)oc(O)c2cccc(-c3cccc(OC(F)(F)F)c3)c12 ZINC000114874636 HF Annotated Anodyne O=C(O)CNC(=O)c1c(=O)oc(O)c2cccc(-c3cccc(C(F)(F)F)c3)c12 ZINC000114875025 HF Annotated Anodyne COc1ccc([C@@H](CO)Nc2ncnc3c2CN(c2ccc(Cl)cn2)CC3)cn1 ZINC000114997923 HF Annotated Anodyne COc1ccc([C@@H](CCO)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cn1 ZINC000114998333 HF Annotated Anodyne CCN(Cc1cnn(C)c1)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1 ZINC000011661369 HF Annotated Anodyne CC(C)CS(=O)(=O)c1ncc(CN2CCCC[C@@H]2CO)n1Cc1ccccc1 ZINC000011663300 HF Annotated Anodyne CC(C)CS(=O)(=O)c1ncc(CN2CCCC[C@H]2CO)n1Cc1ccccc1 ZINC000011663301 HF Annotated Anodyne CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(S(=O)(=O)c2cccnc2)C1 ZINC000011665073 HF Annotated Anodyne CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(S(=O)(=O)c2cccnc2)C1 ZINC000011665074 HF Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](N(C)CCc3ccccn3)C2)cc1 ZINC000011665279 HF Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](N(C)CCc3ccccn3)C2)cc1 ZINC000011665280 HF Annotated Anodyne Cc1cccc(/C=N\N=c2\cc(N3CCOCC3)[nH]c(OCCc3ccccn3)n2)c1 ZINC000011726227 HF Annotated Mild COc1cc(Cl)ccc1OCc1cc(C(=O)N(C)CCc2cnn(C)c2)no1 ZINC000011775174 HF Annotated Anodyne CC[C@@H]1CN(CC(=O)NCc2n[nH]c3c2CCCCC3)Cc2cc(OC)ccc2O1 ZINC000011784202 HF Annotated Anodyne CC[C@H]1CN(CC(=O)NCc2n[nH]c3c2CCCCC3)Cc2cc(OC)ccc2O1 ZINC000011784203 HF Annotated Anodyne CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)/C=C/c1ccccc1)C2 ZINC000011787195 HF Annotated Anodyne O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 ZINC000011788150 HF Annotated Anodyne O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CC(Cc2ccc3c(c2)OCO3)=NO1 ZINC000011788151 HF Annotated Anodyne COC(=O)[C@@H]1CCCCN1Cc1ccc2c(c1)CN(C(=O)c1ocnc1C)CCO2 ZINC000011788290 HF Annotated Anodyne COC(=O)[C@H]1CCCCN1Cc1ccc2c(c1)CN(C(=O)c1ocnc1C)CCO2 ZINC000011788291 HF Annotated Anodyne CCC(=O)NCc1cc(NS(=O)(=O)c2ccccc2Cl)cc(C(=O)OC)c1 ZINC000011790034 HF Annotated Anodyne CSCCC(=O)N1CCc2c(cnc(C)c2CNC(=O)Cc2cccs2)C1 ZINC000011790252 HF Annotated Anodyne Cc1cc(C(=O)NC[C@@H]2CCC3(CCN(Cc4cc(F)ccc4F)CC3)O2)n(C)n1 ZINC000011814270 HF Annotated Anodyne Cc1cc(C(=O)NC[C@H]2CCC3(CCN(Cc4cc(F)ccc4F)CC3)O2)n(C)n1 ZINC000011814272 HF Annotated Anodyne Cc1cc(C)n(CCN(C)C(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)n1 ZINC000011816420 HF Annotated Anodyne Cc1cc(C)n(CCN(C)C(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)n1 ZINC000011816421 HF Annotated Anodyne C[C@@H]1CCCN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(CCc3ccccn3)C2=O)C1 ZINC000011841273 HF Annotated Anodyne C[C@H]1CCCN(C(=O)C[C@@]2(c3ccccc3)CC(=O)N(CCc3ccccn3)C2=O)C1 ZINC000011841274 HF Annotated Anodyne C[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(CCc3ccccn3)C2=O)C1 ZINC000011841276 HF Annotated Anodyne C[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3)CC(=O)N(CCc3ccccn3)C2=O)C1 ZINC000011841278 HF Annotated Anodyne CC(=O)Nc1ccnn1C1CCN(C(=O)CN2CCC[C@H](c3ccccc3)C2)CC1 ZINC000011843347 HF Annotated Anodyne CC(=O)Nc1ccnn1C1CCN(C(=O)CN2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000011843348 HF Annotated Anodyne CCN(CC)CCC(=O)N1CCOc2ccc(CN3CCC[C@@H](COC)C3)cc2C1 ZINC000011880798 HF Annotated Anodyne CCN(CC)CCC(=O)N1CCOc2ccc(CN3CCC[C@H](COC)C3)cc2C1 ZINC000011880799 HF Annotated Anodyne COC(=O)c1ccc(C(=O)NC[C@@H]2Cc3cc(F)cc(-c4cncnc4)c3O2)cc1 ZINC000011881923 HF Annotated Anodyne COC(=O)c1ccc(C(=O)NC[C@H]2Cc3cc(F)cc(-c4cncnc4)c3O2)cc1 ZINC000011881924 HF Annotated Anodyne CCOC(=O)c1ccc(CNC(=O)CC[C@@]2(Cc3ccc(F)cc3)CCC(=O)N2)o1 ZINC000011882284 HF Annotated Anodyne CCOC(=O)c1ccc(CNC(=O)CC[C@]2(Cc3ccc(F)cc3)CCC(=O)N2)o1 ZINC000011882285 HF Annotated Anodyne COc1ccc(-n2c(CNC(=O)c3ccc(OC)cc3OC)nnc2SC)cc1 ZINC000011913376 HF Annotated Anodyne O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3cccc(OCCO)c3)N3CCC[C@@]123 ZINC000011934165 HF Annotated Anodyne CC(=O)Nc1cc(C(=O)N2CCSCC2)cc2ncn(CCc3ccccn3)c12 ZINC000011965333 HF Annotated Anodyne CN(C)C[C@@](C)(O)c1ccc2c(c1)CN(C(=O)c1ccc(-n3cccn3)cc1)CCO2 ZINC000011971434 HF Annotated Anodyne CN(C)C[C@](C)(O)c1ccc2c(c1)CN(C(=O)c1ccc(-n3cccn3)cc1)CCO2 ZINC000011971442 HF Annotated Anodyne CC[C@@H]1CN(CCC(=O)NC[C@H]2CC(=O)N(CC)C2)Cc2ccc(Cl)cc2O1 ZINC000011971677 HF Annotated Anodyne CC[C@H]1CN(CCC(=O)NC[C@H]2CC(=O)N(CC)C2)Cc2ccc(Cl)cc2O1 ZINC000011971684 HF Annotated Anodyne Cc1cc(C(=O)NC[C@@H]2CCC3(CCN(Cc4cccc(F)c4F)CC3)O2)n(C)n1 ZINC000011995722 HF Annotated Anodyne Cc1cc(C(=O)NC[C@H]2CCC3(CCN(Cc4cccc(F)c4F)CC3)O2)n(C)n1 ZINC000011995723 HF Annotated Anodyne Cc1cc(C(=O)NC[C@@H]2CCC3(CCN(Cc4ccc(F)cc4)CC3)O2)n(C)n1 ZINC000011996217 HF Annotated Anodyne Cc1cc(C(=O)NC[C@H]2CCC3(CCN(Cc4ccc(F)cc4)CC3)O2)n(C)n1 ZINC000011996218 HF Annotated Anodyne O=S(=O)(Cc1ccccc1)NC[C@@H]1CCCN(Cc2cccc3nonc23)C1 ZINC000011998652 HF Annotated Anodyne O=S(=O)(Cc1ccccc1)NC[C@H]1CCCN(Cc2cccc3nonc23)C1 ZINC000011998654 HF Annotated Anodyne Cn1c2c(c3ccc(N4CCN(CCc5ccccn5)CC4=O)cc31)CNCCC2 ZINC000115010897 HF Annotated Anodyne Cn1c2c(c3ccc(-n4ncc(OCc5ccc(F)cn5)cc4=O)cc31)CCNCC2 ZINC000115012114 HF Annotated Anodyne Cn1c2c(c3ccc(N4CCN(CCc5ccc(F)cc5)CC4=O)cc31)CCNCC2 ZINC000115015649 HF Annotated Anodyne CCC(CC)Oc1ccc2n(n1)c(N)n[n+]2CC(=O)c1cc(Cl)cc(OC)c1 ZINC000115444183 HF Annotated Mild CC(C)Nc1nc(-c2ccc(CCN3CCOCC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115621991 HF Annotated Anodyne CC(C)Nc1nc(-c2ccc(S(=O)(=O)C(C)C)cc2)cc2ncn(C)c(=O)c12 ZINC000115624176 HF Annotated Anodyne Cc1cc(-c2cc3ncn(C)c(=O)c3c(N[C@@H]3CCOC3)n2)ccc1C1CCNCC1 ZINC000115624427 HF Annotated Anodyne CCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(NCCO)n3)cc2)CC1 ZINC000115624585 HF Annotated Anodyne CCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(NCCCO)n3)cc2)CC1 ZINC000115624616 HF Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(-c3ccc(CO)o3)c2c1=O ZINC000115624791 HF Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(-c3cc(CO)co3)c2c1=O ZINC000115624796 HF Annotated Anodyne CCN1CC(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@@H]4CCOC4)n3)cc2)C1 ZINC000115624826 HF Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(OCc3cccnc3)c2c1=O ZINC000115625227 HF Annotated Anodyne Cn1cnc2cc(-c3ccc(C4CCNCC4)cc3)nc(N[C@@H]3CCOC3)c2c1=O ZINC000115625353 HF Annotated Anodyne C[C@@H]1CN(CCc2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2)CCO1 ZINC000115625449 HF Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(OCc3ccncc3)c2c1=O ZINC000115626324 HF Annotated Anodyne Cc1cc(-c2cc3ncn(C)c(=O)c3c(NCCCO)n2)ccc1C1CCNCC1 ZINC000115626583 HF Annotated Anodyne CC(C)c1cc(-c2nnc(O)n2-c2ccc(N(C)CCN(C)C)nc2)c(O)cc1O ZINC000115809538 HF Annotated Anodyne CC(C)c1cc(-c2nnc(O)n2-c2ccc(N(C)S(C)(=O)=O)cc2)c(O)cc1O ZINC000115810333 HF Annotated Anodyne CCOC(=O)c1cc2cc(-c3[nH]c(C(=O)NCc4ccncc4)nc3C)cnc2[nH]1 ZINC000115830725 HF Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5cnn(C)c5)[nH]c4C)ccc3[nH]2)n1 ZINC000115831590 HF Annotated Anodyne Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccn(C)n5)nn4C)ccc3[nH]2)n1 ZINC000115831705 HF Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5nnc(C)[nH]5)[nH]c4C)ccc3[nH]2)n1 ZINC000115831933 HF Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccnnc5)[nH]c4C)ccc3[nH]2)n1 ZINC000115832004 HF Annotated Anodyne CCOC(=O)c1cc2cc(-c3nc(C(=O)NCc4ccncc4)[nH]c3C)ncc2[nH]1 ZINC000115833353 HF Annotated Anodyne Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccnn5C)nn4C)ccc3[nH]2)n1 ZINC000115833659 HF Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5noc(C)n5)[nH]c4C)ccc3[nH]2)n1 ZINC000115833726 HF Annotated Anodyne Cc1noc(-c2cc3nc(-c4nc(C(=O)NCc5ccncc5)[nH]c4C)ccc3[nH]2)n1 ZINC000115834821 HF Annotated Anodyne Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccno5)nn4C)ccc3[nH]2)n1 ZINC000115836989 HF Annotated Anodyne Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5cnn(C)c5)nn4C)ccc3[nH]2)n1 ZINC000115838009 HF Annotated Anodyne COC[C@@]1(C)COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116186325 HF Annotated Anodyne COC[C@]1(C)COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116186327 HF Annotated Anodyne CO[C@@H](C)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116187112 HF Annotated Anodyne COC1CCC2(CC1)Cc1ccc(Br)cc1[C@@]21CC(=O)N(C)C(N)=N1 ZINC000116248543 HF Annotated Anodyne COC1CCC2(CC1)Cc1ccc(Br)cc1[C@]21CC(=O)N(C)C(N)=N1 ZINC000116248545 HF Annotated Anodyne COc1ccnc(N2C[C@H]3CN(C(=O)c4c(OC)ccc5ccccc45)C[C@H]3C2)n1 ZINC000116822043 HF Annotated Anodyne COc1ccnc(N2C[C@H]3CN(C(=O)c4c(OC)ccc5ccccc45)C[C@@H]3C2)n1 ZINC000116822045 HF Annotated Anodyne COc1ccnc(N2C[C@@H]3CN(C(=O)c4c(OC)ccc5ccccc45)C[C@H]3C2)n1 ZINC000116822046 HF Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4nccn4C)C[C@H]3C2)n1 ZINC000116822404 HF Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4nccn4C)C[C@H]3C2)n1 ZINC000116822407 HF Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4nccn4C)C[C@@H]3C2)n1 ZINC000116822409 HF Annotated Anodyne Cc1noc(-c2ccccc2C(=O)N2C[C@@H]3CN(c4nc(C)c(C)c(C)n4)C[C@@H]3C2)n1 ZINC000116822939 HF Annotated Anodyne Cc1noc(-c2ccccc2C(=O)N2C[C@H]3CN(c4nc(C)c(C)c(C)n4)C[C@@H]3C2)n1 ZINC000116822941 HF Annotated Anodyne Cc1noc(-c2ccccc2C(=O)N2C[C@@H]3CN(c4nc(C)c(C)c(C)n4)C[C@H]3C2)n1 ZINC000116822944 HF Annotated Anodyne O=C(c1ccccc1-c1nnc[nH]1)N1C[C@@H]2CN(c3nc4ccccc4o3)C[C@@H]2C1 ZINC000116823179 HF Annotated Anodyne O=C(c1ccccc1-c1nnc[nH]1)N1C[C@H]2CN(c3nc4ccccc4o3)C[C@@H]2C1 ZINC000116823181 HF Annotated Anodyne O=C(c1ccccc1-c1nnc[nH]1)N1C[C@@H]2CN(c3nc4ccccc4o3)C[C@H]2C1 ZINC000116823182 HF Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(F)c4-c4nc(C)no4)C[C@H]3C2)n1 ZINC000116824298 HF Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cccc(F)c4-c4nc(C)no4)C[C@H]3C2)n1 ZINC000116824300 HF Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(F)c4-c4nc(C)no4)C[C@@H]3C2)n1 ZINC000116824302 HF Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4nc(C)no4)C[C@H]3C2)n1 ZINC000116824772 HF Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4nc(C)no4)C[C@H]3C2)n1 ZINC000116824774 HF Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4nc(C)no4)C[C@@H]3C2)n1 ZINC000116824776 HF Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4c(C)noc4-c4cc(C)on4)C[C@@H]32)n1 ZINC000116824780 HF Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-c4ccn(C)n4)C[C@@H]32)n1 ZINC000116824846 HF Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncccc4Br)C[C@@H]32)n1 ZINC000116825161 HF Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4cc[nH]n4)C[C@@H]32)n1 ZINC000116825170 HF Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(F)c4-c4ccn[nH]4)C[C@H]3C2)n1 ZINC000116825277 HF Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(F)c4-c4ccn[nH]4)C[C@@H]3C2)n1 ZINC000116825279 HF Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cccc(F)c4-c4ccn[nH]4)C[C@H]3C2)n1 ZINC000116825280 HF Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-n4cccn4)C[C@@H]32)n1 ZINC000116825429 HF Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4c(F)cccc4-c4nc(C)no4)C[C@H]3C2)n1 ZINC000116825902 HF Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4c(F)cccc4-c4nc(C)no4)C[C@H]3C2)n1 ZINC000116825904 HF Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4c(F)cccc4-c4nc(C)no4)C[C@@H]3C2)n1 ZINC000116825907 HF Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-c4nc(C)no4)C[C@@H]32)n1 ZINC000116826010 HF Annotated Anodyne COc1cccc(OC)c1C(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000116826328 HF Annotated Anodyne COc1cccc(OC)c1C(=O)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000116826330 HF Annotated Anodyne COc1cccc(OC)c1C(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2C1 ZINC000116826332 HF Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(C)c4-n4cccn4)C[C@@H]32)n1 ZINC000116827061 HF Annotated Anodyne O=C(c1ccccc1-c1nnc[nH]1)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000116827888 HF Annotated Anodyne O=C(c1ccccc1-c1nnc[nH]1)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000116827890 HF Annotated Anodyne O=C(c1ccccc1-c1nnc[nH]1)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2C1 ZINC000116827891 HF Annotated Anodyne Cc1cc(C(=O)N2CC(C(=O)N(C)C)C2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000116909362 HF Annotated Anodyne Cc1cc(C(=O)N2CC(C(=O)N(C)C)C2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000116909365 HF Annotated Anodyne OCC(CO)n1cc(-c2cc(F)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000116910668 HF Annotated Anodyne OCC(CO)n1cc(-c2cc(F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000116910670 HF Annotated Anodyne CC(=O)N1CCN(C(=O)Nc2ccc(N3CC[C@@H](N4CCC[C@H]4C)C3)c(C)c2)CC1 ZINC000116953979 HF Annotated Anodyne CS(=O)(=O)Nc1ccc2c(c1)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 ZINC000117624097 HF Annotated Anodyne CN(C)C(=O)[C@@H]1C[C@@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN1 ZINC000117659970 HF Annotated Anodyne CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@@H](OC(=O)CC(C)C)[C@]21CO1 ZINC000118050035 HF Annotated Anodyne CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1 ZINC000118050037 HF Annotated Anodyne COc1cc(-c2nn3c(-c4cnc(N)nc4)cnc3s2)ccc1OC1CCNCC1 ZINC000118087812 HF Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC(O)C1 ZINC000118396141 HF Annotated Anodyne C[C@]1(c2cccc(F)c2)CCCN1c1ccn2ncc(NC(=O)N3CC(O)C3)c2n1 ZINC000118398751 HF Annotated Anodyne C[C@@]1(c2cccc(F)c2)CCCN1c1ccn2ncc(NC(=O)N3CC(O)C3)c2n1 ZINC000118398754 HF Annotated Anodyne Cc1cn2nccc2nc1-c1cc2nc(N3CCCC3)cc(NCC(C)(C)O)n2n1 ZINC000118901054 HF Annotated Anodyne Cc1nc2c(nc1-c1cc3nc(N4CCCC4)cc(NCC(C)(C)O)n3n1)CCCO2 ZINC000118904798 HF Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H](O)[C@@H]4O)[C@@H]3[C@@H](OC(C)=O)C[C@H]2C1 ZINC000118917861 HF Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C[C@H](OC(C)=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C[C@@H](O)[C@@H]3O)[C@H]12 ZINC000118917925 HF Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@]45O[C@H]4C(=O)[C@H](S(C)(=O)=O)C[C@]5(C)[C@H]3CC[C@]12C ZINC000118920091 HF Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@]45O[C@@H]4C(=O)[C@@H](S(C)(=O)=O)C[C@]5(C)[C@H]3CC[C@]12C ZINC000118920092 HF Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@]45O[C@@H]4C(=O)[C@H](S(C)(=O)=O)C[C@]5(C)[C@H]3CC[C@]12C ZINC000118920093 HF Annotated Anodyne COc1cccc(OCc2cc(C(=O)N3CCN(C4CCCCC4)C(=O)C3)no2)c1 ZINC000012000973 HF Annotated Anodyne COc1ccc(-c2cccc3c2O[C@H](CNC(=O)c2ccc4c(c2)OCO4)C3)nn1 ZINC000012022296 HF Annotated Anodyne COc1ccc(-c2cccc3c2O[C@@H](CNC(=O)c2ccc4c(c2)OCO4)C3)nn1 ZINC000012022302 HF Annotated Anodyne CCc1cc(C(=O)NC[C@@H]2Cc3cccc(-c4ccc(C(=O)OC)cn4)c3O2)no1 ZINC000012023031 HF Annotated Anodyne CCc1cc(C(=O)NC[C@H]2Cc3cccc(-c4ccc(C(=O)OC)cn4)c3O2)no1 ZINC000012023036 HF Annotated Anodyne Cc1ncc2c(c1CNC(=O)/C=C/c1cccs1)CCN(C(=O)[C@@H]1CCCO1)C2 ZINC000012024034 HF Annotated Anodyne Cc1ncc2c(c1CNC(=O)/C=C/c1cccs1)CCN(C(=O)[C@H]1CCCO1)C2 ZINC000012024039 HF Annotated Anodyne Cc1ncc2c(c1CNC(=O)c1ccc3c(c1)OCO3)CCN(C(=O)c1ccoc1)C2 ZINC000012026527 HF Annotated Anodyne COc1ccccc1[C@@H]1CN(CCNC(=O)c2cnsn2)Cc2ccccc2O1 ZINC000012029506 HF Annotated Anodyne COc1ccccc1[C@H]1CN(CCNC(=O)c2cnsn2)Cc2ccccc2O1 ZINC000012029510 HF Annotated Anodyne Cc1c(C(=O)N(CCO)C(C)C)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000012030134 HF Annotated Anodyne COc1ccc(C(=O)NC[C@@H]2Cc3cccc(-c4cncnc4)c3O2)c(OC)c1OC ZINC000012030221 HF Annotated Anodyne COc1ccc(C(=O)NC[C@H]2Cc3cccc(-c4cncnc4)c3O2)c(OC)c1OC ZINC000012030224 HF Annotated Anodyne CSc1nccc(-c2cc(Cl)c3c(c2)C[C@H](CNC(=O)c2nonc2C)O3)n1 ZINC000012031231 HF Annotated Anodyne CSc1nccc(-c2cc(Cl)c3c(c2)C[C@@H](CNC(=O)c2nonc2C)O3)n1 ZINC000012031236 HF Annotated Anodyne COc1ccc(C[C@@]2(CCC(=O)N[C@@H](C)c3cn(C)nc3C)CCC(=O)N2)c(F)c1 ZINC000012053538 HF Annotated Anodyne COc1ccc(C[C@]2(CCC(=O)N[C@@H](C)c3cn(C)nc3C)CCC(=O)N2)c(F)c1 ZINC000012053541 HF Annotated Anodyne COc1ccc(C[C@@]2(CCC(=O)N[C@H](C)c3cn(C)nc3C)CCC(=O)N2)c(F)c1 ZINC000012053544 HF Annotated Anodyne COc1ccc(C[C@]2(CCC(=O)N[C@H](C)c3cn(C)nc3C)CCC(=O)N2)c(F)c1 ZINC000012053546 HF Annotated Anodyne C/C=C(\C)C(=O)N1CCc2c(cnc(C)c2CNS(=O)(=O)Cc2ccccc2)C1 ZINC000012078344 HF Annotated Anodyne COc1ccccc1-c1ccnc(-n2ncc(C(=O)NC(C)(C)CO)c2C2CC2)n1 ZINC000012079565 HF Annotated Anodyne Cc1c(C(=O)N(C)[C@@H]2CCOC2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000012080023 HF Annotated Anodyne Cc1c(C(=O)N(C)[C@H]2CCOC2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000012080024 HF Annotated Anodyne O=C(CCn1c(=O)[nH]c2ccccc21)NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1 ZINC000012123619 HF Annotated Anodyne O=C(CCn1c(=O)[nH]c2ccccc21)NC[C@H]1Cc2cccc(-c3ccncc3)c2O1 ZINC000012123631 HF Annotated Anodyne Cc1cccc2cc(CNCCCN3CCCC3=O)c(N3CCN4CCC[C@@H]4C3)nc12 ZINC000012130112 HF Annotated Anodyne COc1cc(CN2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc(OC)c1 ZINC000012131190 HF Annotated Anodyne COc1cc(CN2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc(OC)c1 ZINC000012131199 HF Annotated Anodyne NC(=O)[C@@H]1CCCN(Cc2ccc3c(c2)CN(Cc2cccc4c2OCO4)CCO3)C1 ZINC000012132312 HF Annotated Anodyne NC(=O)[C@H]1CCCN(Cc2ccc3c(c2)CN(Cc2cccc4c2OCO4)CCO3)C1 ZINC000012132319 HF Annotated Anodyne CN1C(=O)N[C@@H](c2cccc(O)c2)[C@@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F ZINC000012139949 HF Annotated Anodyne CN1C(=O)N[C@@H](c2cccc(O)c2)[C@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F ZINC000012139950 HF Annotated Anodyne CN1C(=O)N[C@@H](c2ccc(O)cc2)[C@@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F ZINC000012139956 HF Annotated Anodyne CN1C(=O)N[C@@H](c2ccc(O)cc2)[C@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F ZINC000012139957 HF Annotated Anodyne CCCO[C@@H]1CCCN(C(=O)c2cc(COc3ccc(-n4cncn4)cc3)on2)C1 ZINC000012199521 HF Annotated Anodyne CCCO[C@H]1CCCN(C(=O)c2cc(COc3ccc(-n4cncn4)cc3)on2)C1 ZINC000012199527 HF Annotated Anodyne CC(=O)N1CCC(C(=O)N[C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)CC1 ZINC000012209997 HF Annotated Anodyne CC(=O)N1CCC(C(=O)N[C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)CC1 ZINC000012210001 HF Annotated Anodyne O=C(CCCn1cncn1)N1CCC(CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000012299045 HF Annotated Anodyne Cc1noc(C)c1CCC(=O)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 ZINC000012299203 HF Annotated Anodyne Cc1noc(C)c1CCC(=O)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 ZINC000012299204 HF Annotated Anodyne CCc1nccn1CCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000012300103 HF Annotated Anodyne CCc1nccn1CCC(=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000012300105 HF Annotated Anodyne COC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000012352731 HF Annotated Anodyne CCOC(=O)C(C)(C)c1ccc2c(c1)nc(Cc1ccc(C(=N)N)cc1)c(=O)n2C ZINC000012355062 HF Annotated Anodyne NS(=O)(=O)c1ccc(CNc2nc(OCC3CCCCC3)c3nc[nH]c3n2)s1 ZINC000012355063 HF Annotated Anodyne COc1ccc(C(=O)N[C@@H](C(=O)NCC2CCN(C(C)C)CC2)c2ccoc2)cc1 ZINC000012355065 HF Annotated Anodyne COc1ccc(C(=O)N[C@H](C(=O)NCC2CCN(C(C)C)CC2)c2ccoc2)cc1 ZINC000012355069 HF Annotated Anodyne O=C(O)Cc1ccc(OCCN2C(=O)COc3ccsc32)c(Br)c1 ZINC000012358224 HF Annotated Anodyne CCO[C@@H](Cc1ccc(OCCN2C(=O)COc3ccsc32)c(OC)c1)C(=O)O ZINC000012358232 HF Annotated Anodyne CCO[C@H](Cc1ccc(OCCN2C(=O)COc3ccsc32)c(OC)c1)C(=O)O ZINC000012358233 HF Annotated Anodyne CCO[C@@H](Cc1ccc(OCCN2C(=O)COc3ccsc32)c(C)c1)C(=O)O ZINC000012358234 HF Annotated Anodyne CCO[C@H](Cc1ccc(OCCN2C(=O)COc3ccsc32)c(C)c1)C(=O)O ZINC000012358235 HF Annotated Anodyne O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000012429305 HF Annotated Anodyne O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000012429306 HF Annotated Anodyne CN(Cc1nccn1C)C(=O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012433465 HF Annotated Anodyne CN(Cc1nccn1C)C(=O)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012433466 HF Annotated Anodyne COC[C@@H]1CCCN(Cc2cnc(S(C)(=O)=O)n2CCCc2ccccc2)C1 ZINC000012433840 HF Annotated Anodyne COC[C@H]1CCCN(Cc2cnc(S(C)(=O)=O)n2CCCc2ccccc2)C1 ZINC000012433841 HF Annotated Anodyne CCCCn1c(CN2CCC[C@@H](CNC(C)=O)C2)cnc1S(=O)(=O)CC1CCC1 ZINC000012433993 HF Annotated Anodyne CCCCn1c(CN2CCC[C@H](CNC(C)=O)C2)cnc1S(=O)(=O)CC1CCC1 ZINC000012433994 HF Annotated Anodyne CN1CCC(NCc2c(C(=O)N(C)CCc3ccccc3)nc3sccn23)CC1 ZINC000012441283 HF Annotated Anodyne CC(=O)c1cc(C(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)cs1 ZINC000012453911 HF Annotated Anodyne CC(=O)c1cc(C(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)cs1 ZINC000012453912 HF Annotated Anodyne C/C(=C\c1ccco1)CN1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000012465213 HF Annotated Anodyne COC(=O)CC[C@@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccccc1 ZINC000012466205 HF Annotated Anodyne COC(=O)CC[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccccc1 ZINC000012466208 HF Annotated Anodyne CC(=O)OCC[C@@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccccc1 ZINC000012466276 HF Annotated Anodyne CC(=O)OCC[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccccc1 ZINC000012466280 HF Annotated Anodyne COCCc1ncc(CN2CCC(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)cn1 ZINC000012476172 HF Annotated Anodyne COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)NCC1CC1 ZINC000012480170 HF Annotated Anodyne C#CCNC(=O)C1=C[C@@H](c2ccc(C#C)cc2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000012482311 HF Annotated Mild C#CCNC(=O)C1=C[C@H](c2ccc(C#C)cc2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000012482422 HF Annotated Mild C#CCNC(=O)C1=C[C@@H](c2ccc3c(c2)OCO3)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000012482477 HF Annotated Mild CCO[C@@H]1OC(C(=O)NC2CC2)=C[C@H](c2coc3ccccc3c2=O)[C@H]1CCCO ZINC000012482503 HF Annotated Anodyne Cc1cs/c(=N\c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1Cc1ccco1 ZINC000012488877 HF Annotated Anodyne O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000012508167 HF Annotated Reactive CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N[C@@H](C)c2ccco2)c1=O ZINC000012508394 HF Annotated Anodyne CCNC(=O)c1cn(CCc2ccccc2)cc(C(=O)N[C@H](C)c2ccco2)c1=O ZINC000012508398 HF Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O ZINC000012539951 HF Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)N[C@@](C)(c2cccc(Br)c2)C1=O ZINC000012539956 HF Annotated Anodyne COc1ccc(OC)c(NC(=O)[C@H]2[C@@H](C(=O)NCc3cccnc3)[C@@H]3C=C[C@H]2C3)c1 ZINC000012566046 HF Annotated Anodyne COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H](C(=O)NCc3cccnc3)[C@@H]3C=C[C@H]2C3)c1 ZINC000012566047 HF Annotated Anodyne COc1ccc(OC)c(NC(=O)[C@H]2[C@@H](C(=O)NCc3ccccn3)[C@@H]3C=C[C@H]2C3)c1 ZINC000012566063 HF Annotated Anodyne CN(Cc1ccncn1)C(=O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012595208 HF Annotated Anodyne CN(Cc1ccncn1)C(=O)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012595211 HF Annotated Anodyne CCOC(=O)[C@]1(Cc2ccccc2)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000012635488 HF Annotated Anodyne CC(C)c1nc(CNC(=O)[C@@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)no1 ZINC000012718495 HF Annotated Anodyne CC(C)c1nc(CNC(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)no1 ZINC000012718496 HF Annotated Anodyne COc1cc(CCCN2C(=O)C(=O)NC[C@@H]2CC2CCCCC2)cc(OC)c1OC ZINC000012726246 HF Annotated Anodyne CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1ccco1 ZINC000012731955 HF Annotated Bother CCOC(=O)c1ccc(CNC(=O)[C@@H]2CCC(=O)N(Cc3cccc(OC)c3)C2)o1 ZINC000012835740 HF Annotated Anodyne CCOC(=O)c1ccc(CNC(=O)[C@H]2CCC(=O)N(Cc3cccc(OC)c3)C2)o1 ZINC000012835742 HF Annotated Anodyne O=C1N/C(=C\c2c[nH]c3ccccc23)C(=O)N1C[C@@H](O)COCc1ccccc1F ZINC000012847197 HF Annotated Anodyne O=C1N/C(=C\c2c[nH]c3ccccc23)C(=O)N1C[C@H](O)COCc1ccccc1F ZINC000012847204 HF Annotated Anodyne Cc1ccc(/C=N/NC(=O)c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)o1 ZINC000013108449 HF Annotated Reactive COCCCNC(=O)c1c(N)n(/N=C\c2cccs2)c2nc3ccccc3nc12 ZINC000013115790 HF Annotated Mild CCOC1=C/C(=C/NNC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C=CC1=O ZINC000013119359 HF Annotated Reactive COC1=C/C(=C/NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C=CC1=O ZINC000013120065 HF Annotated Reactive O=C(COc1ccc(Cl)cc1Cl)NCC(=O)NN/C=C1/C=Nc2ccccc21 ZINC000013120114 HF Annotated Reactive C1=Nc2ccccc2/C1=C/NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000013121979 HF Annotated Anodyne COC1=CC(=CNNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C=C(OC)C1=O ZINC000013122372 HF Annotated Reactive O=C1C(Br)=CC([N+](=O)[O-])=C/C1=C\NNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000013122393 HF Annotated Reactive COc1ccc([C@@H]2C[C@@H](C(F)(F)F)N3NC(C(=O)O)=C(Br)C3=N2)cc1 ZINC000013122714 HF Annotated Anodyne COc1ccc([C@H]2C[C@@H](C(F)(F)F)N3NC(C(=O)O)=C(Br)C3=N2)cc1 ZINC000013122715 HF Annotated Anodyne COc1ccc([C@@H]2C[C@H](C(F)(F)F)N3NC(C(=O)O)=C(Br)C3=N2)cc1 ZINC000013122716 HF Annotated Anodyne COc1ccc([C@H]2C[C@H](C(F)(F)F)N3NC(C(=O)O)=C(Br)C3=N2)cc1 ZINC000013122717 HF Annotated Anodyne COC1=C/C(=C/NNC(=O)CCOc2ccccc2C)C=C(Br)C1=O ZINC000013122814 HF Annotated Reactive CN(C)S(=O)(=O)c1ccc(-c2csc(NNC=C3C=CC(=O)C=C3)n2)cc1 ZINC000013122973 HF Annotated Mild CCOC(=O)c1ccc(NN/C=C2\C=C(Br)C=C([N+](=O)[O-])C2=O)cc1 ZINC000013123182 HF Annotated Mild COC1=CC(=O)/C(=C/NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C=C1 ZINC000013123205 HF Annotated Reactive CC(C)(C)NC(=S)NNC=C1C=C(Br)C(=O)C(Br)=C1 ZINC000013123267 HF Annotated Mild COc1ccc([C@@H]2C(C(N)=O)=C(C)Nc3nc(-c4ccccc4OC)nn32)cc1OC ZINC000013123698 HF Annotated Anodyne COc1ccc([C@H]2C(C(N)=O)=C(C)Nc3nc(-c4ccccc4OC)nn32)cc1OC ZINC000013123699 HF Annotated Anodyne CCOC(=O)c1c(NC(=O)NN/C=C2/C=CC(=O)C(OC)=C2)sc(C(C)=O)c1C ZINC000013125327 HF Annotated Reactive O=C1C=CC([N+](=O)[O-])=C/C1=C\Nn1c(COc2ccccc2)nc2ccccc2c1=O ZINC000013125662 HF Annotated Mild Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)NNC=C2C=CC(=O)C=C2)[nH]n1 ZINC000013126002 HF Annotated Reactive O=C(Cc1ccccc1)NN/C=C1\C=C(Br)C=C(Br)C1=O ZINC000013126095 HF Annotated Reactive C=CCC1=CC=C/C(=C\NNC(=O)c2cc([N+](=O)[O-])nn2Cc2ccccc2)C1=O ZINC000013126180 HF Annotated Reactive COc1ccc([C@@H]2C[C@@H](C(F)(F)F)N3NC(C(=O)O)=C(Cl)C3=N2)cc1OC ZINC000013131032 HF Annotated Anodyne COc1ccc([C@H]2C[C@@H](C(F)(F)F)N3NC(C(=O)O)=C(Cl)C3=N2)cc1OC ZINC000013131034 HF Annotated Anodyne COc1ccc([C@@H]2C[C@H](C(F)(F)F)N3NC(C(=O)O)=C(Cl)C3=N2)cc1OC ZINC000013131035 HF Annotated Anodyne COc1ccc([C@H]2C[C@H](C(F)(F)F)N3NC(C(=O)O)=C(Cl)C3=N2)cc1OC ZINC000013131036 HF Annotated Anodyne CCCCN(Cc1ccccc1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000013131403 HF Annotated Anodyne CCCCN(Cc1ccccc1)C(=O)[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000013131404 HF Annotated Anodyne CCCOc1ccc(NC(=O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)cc1 ZINC000013138575 HF Annotated Anodyne CCCOc1ccc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)cc1 ZINC000013138576 HF Annotated Anodyne CCCOc1ccc(NC(=O)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)cc1 ZINC000013138577 HF Annotated Anodyne CCCCn1c(=NC(=O)c2cccnc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 ZINC000013138765 HF Annotated Anodyne COc1ccc2c(c1)O[C@]13CCN(C)C[C@H]1[C@H]2[C@@H](C(=O)c1ccc(F)cc1)C(=O)N3 ZINC000013139560 HF Annotated Anodyne COc1ccc2c(c1)O[C@]13CCN(C)C[C@@H]1[C@H]2[C@@H](C(=O)c1ccc(F)cc1)C(=O)N3 ZINC000013139561 HF Annotated Anodyne CCc1ccc(OCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000013143826 HF Annotated Reactive CC(C)(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@H]1c1cccnc1 ZINC000013144129 HF Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)Cn1nnc2c(cnn2-c2ccccc2)c1=O ZINC000013150611 HF Annotated Anodyne COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)NCc3ccccn3)[C@@H]3C=C[C@H]2C3)c(OC)c1 ZINC000013151242 HF Annotated Anodyne COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)NCc3ccccn3)[C@@H]3C=C[C@H]2C3)c(OC)c1 ZINC000013151243 HF Annotated Anodyne CCCCn1cnc2c1c(=O)n(CC(=O)c1cc(C)n(C)c1C)c(=O)n2CC(C)C ZINC000013152632 HF Annotated Anodyne O=C(CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)Oc1ccc(Br)cc1 ZINC000013153439 HF Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)Oc1ccc(Br)cc1 ZINC000013153440 HF Annotated Anodyne Cc1ccc(-c2ccc(/C=N\NC3=NC(=O)[C@H](CC(=O)O)S3)o2)c([N+](=O)[O-])c1 ZINC000013154004 HF Annotated Mild CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(N(CC)CC)cc1 ZINC000013154651 HF Annotated Anodyne COC(=O)C1=CO[C@H](O)[C@@H]2[C@H](C)n3c4ccccc4c4cc(C(=O)O)nc(c43)C[C@@H]12 ZINC000013308276 HF Annotated Anodyne CC(=O)N[C@H](C(=O)O[C@@H](/C=C/C=C\C=C\C(=O)O)[C@]1(C)CO1)[C@@H](C)c1ccccc1 ZINC000013309507 HF Annotated Anodyne in-man CC(=O)N[C@H](C(=O)O[C@@H](/C=C/C=C\C=C\C(=O)O)[C@]1(C)CO1)[C@H](C)c1ccccc1 ZINC000013309509 HF Annotated Anodyne in-man CC(=O)N[C@@H](C(=O)O[C@@H](/C=C/C=C\C=C\C(=O)O)[C@]1(C)CO1)[C@@H](C)c1ccccc1 ZINC000013309511 HF Annotated Anodyne in-man CC(=O)N[C@@H](C(=O)O[C@@H](/C=C/C=C\C=C\C(=O)O)[C@]1(C)CO1)[C@H](C)c1ccccc1 ZINC000013309513 HF Annotated Anodyne in-man COC(=O)C1=CO[C@@H](C)[C@@H]2C[N+]3=C(C[C@H]12)c1[nH]c2cc(OC)c(OC)cc2c1CC3 ZINC000013312031 HF Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CCN(C)/C=C4/C=COC[C@@H]([C@@H]1N2C(C)=O)[C@H]4CC3=O ZINC000013312353 HF Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@](C)(OC(C)=O)[C@H]12 ZINC000013338346 HF Annotated Mild Oc1nc2c(NCc3cc(Br)c(O)c(Br)c3)ncnc2[nH]1 ZINC000013354528 HF Annotated Anodyne C[C@H]1CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CNC3=O ZINC000013367774 HF Annotated Anodyne C[C@H]1CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)C(=O)NC3 ZINC000013367926 HF Annotated Anodyne CC(=O)c1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)[C@@H]1OC(=O)C[C@@H]1O[C@H]3C ZINC000013370097 HF Annotated Clean CC[C@H]1O[C@H]2O[C@@H](/C=C\C=C\C=C\c3oc(=O)cc(OC)c3C)[C@@H](O)[C@@]2(C)[C@]1(C)O ZINC000013373886 HF Annotated Anodyne in-man CC[C@@H]1O[C@H]2O[C@@H](/C=C\C=C\C=C\c3oc(=O)cc(OC)c3C)[C@@H](O)[C@@]2(C)[C@]1(C)O ZINC000013373887 HF Annotated Anodyne in-man CC[C@H]1O[C@H]2O[C@@H](/C=C\C=C\C=C\c3oc(=O)cc(OC)c3C)[C@@H](O)[C@@]2(C)[C@@]1(C)O ZINC000013373888 HF Annotated Anodyne in-man endogenous CC[C@@H]1O[C@H]2O[C@@H](/C=C\C=C\C=C\c3oc(=O)cc(OC)c3C)[C@@H](O)[C@@]2(C)[C@@]1(C)O ZINC000013373889 HF Annotated Anodyne in-man endogenous COc1c(O)cc(O)c2c1C(=O)c1c(cc(O)c3c1[C@@H](c1ccccc1)OC3=O)C2=O ZINC000013375667 HF Annotated Clean COc1cc(CCN(C)C)c(CC(=O)c2ccc3c(c2C(=O)O)OCO3)cc1OC ZINC000013376849 HF Annotated Anodyne C=C[C@@H](O)C#CC#C/C=C/[C@@H](OC)[C@@H](OCCCCC(=O)OC)[C@@H](O)CCCCC ZINC000013381776 HF Annotated Mild in-vitro C=C[C@@H](O)C#CC#C/C=C/[C@@H](OC)[C@@H](OCCCCC(=O)OC)[C@H](O)CCCCC ZINC000013381777 HF Annotated Mild in-vitro C=C[C@@H](O)C#CC#C/C=C/[C@@H](OC)[C@H](OCCCCC(=O)OC)[C@@H](O)CCCCC ZINC000013381778 HF Annotated Mild in-vitro C=C[C@@H](O)C#CC#C/C=C/[C@@H](OC)[C@H](OCCCCC(=O)OC)[C@H](O)CCCCC ZINC000013381779 HF Annotated Mild in-vitro CCCc1cc(=O)c2c(O)c(OC)c3cc(OS(=O)(=O)O)cc(OC)c3c2o1 ZINC000013406179 HF Annotated Bother COc1cc(/C=C/COC(=O)Cc2cc(OC)c3c(c2)OCO3)cc2c1OCO2 ZINC000013406977 HF Annotated Anodyne in-vitro biogenic Nc1ncnc2cc(CN3CCN(Cc4nc5cc(Cl)ccc5[nH]4)CC3=O)ccc12 ZINC000013439835 HF Annotated Anodyne Nc1ncnc2cc(CN3CCN(Cc4nc5cc(Cl)ccc5o4)CC3=O)ccc12 ZINC000013439856 HF Annotated Anodyne Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Cl)cc5o4)CC3=O)ccc12 ZINC000013439858 HF Annotated Anodyne COc1cccc(OC)c1C(=O)c1c(NC(C)=O)sc2c1CCN(C(C)=O)C2 ZINC000013442776 HF Annotated Anodyne NC(=O)Cc1cn(Cc2ccccc2)c2ccc(OCCCP(=O)(O)O)cc12 ZINC000013445960 HF Annotated Anodyne O=c1oc2cc(O)ccc2c2c(O)c(O[C@@H]3c4ccc(O)cc4O[C@H]3CO)ccc12 ZINC000013461095 HF Annotated Bother O=c1oc2cc(O)ccc2c2c(O)c(O[C@@H]3c4cc(O)c(O)cc4O[C@H]3CO)ccc12 ZINC000013461111 HF Annotated Clean COc1cc([C@@H]2Oc3cc(/C=C/C=O)cc(OC)c3O[C@H]2CO)cc(OC)c1O ZINC000013462112 HF Annotated Reactive CN(C)S(=O)(=O)c1ccc(N/C=C2\C(=O)Nc3ccc4ncsc4c32)cc1 ZINC000013470484 HF Annotated Anodyne CC[C@@H]1CN2CC[C@]3(Nc4cccc(OC)c4C3=O)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000013473306 HF Annotated Anodyne O=C(NO)[C@@H]1COC(c2ccc(OCc3cccc(F)c3)c(OC(F)(F)F)c2)=N1 ZINC000013474877 HF Annotated Anodyne O=C(NO)[C@H]1COC(c2ccc(OCc3cccc(F)c3)c(OC(F)(F)F)c2)=N1 ZINC000013474878 HF Annotated Anodyne C/C=C(/C)C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)/C=C/CC)C3)c1 ZINC000013478820 HF Annotated Anodyne C/C=C(/C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)/C=C/CC)C3)c1 ZINC000013478822 HF Annotated Anodyne C/C=C(\C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)/C(C)=C/C)C3)c1 ZINC000013478950 HF Annotated Anodyne C/C=C(\C)C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)/C(C)=C/C)C3)c1 ZINC000013478953 HF Annotated Anodyne CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@@H]1CCCO1 ZINC000013489663 HF Annotated Anodyne CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCO1 ZINC000013489664 HF Annotated Anodyne O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1)Nc1ccccc1 ZINC000013489668 HF Annotated Anodyne CN1CCC[C@@H]1C/N=C(\S)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C ZINC000013489669 HF Annotated Mild O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(Cc1ccc3ccccc3n1)C2 ZINC000013491483 HF Annotated Anodyne COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NN4CCOCC4)cccc2-3)cc1 ZINC000013492146 HF Annotated Anodyne COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)[C@@H](N)CS ZINC000013493210 HF Annotated Mild O=C(CN(C(=O)CCC(=O)Nc1ccccn1)c1cccc(F)c1)NCc1ccco1 ZINC000013501553 HF Annotated Anodyne COc1cccc(-c2oc3c(CC(=O)O)cccc3c(=O)c2[N+](=O)[O-])c1[N+](=O)[O-] ZINC000013526415 HF Annotated Bother COc1ccc([N+](=O)[O-])c(-c2oc3c(CC(=O)O)cccc3c(=O)c2[N+](=O)[O-])c1 ZINC000013526418 HF Annotated Bother COc1ccc(-c2oc3c(CC(=O)O)cccc3c(=O)c2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013526430 HF Annotated Bother COCOC(=O)Cc1cccc2c(=O)c([N+](=O)[O-])c(-c3ccccc3[N+](=O)[O-])oc12 ZINC000013526462 HF Annotated Bother CS(=O)(=O)c1ccc(-c2cc3c(cc2CN2CCCC[C@@H]2CO)OCO3)cc1 ZINC000013530483 HF Annotated Anodyne CS(=O)(=O)c1ccc(-c2cc3c(cc2CN2CCCC[C@H]2CO)OCO3)cc1 ZINC000013530485 HF Annotated Anodyne CS(=O)(=O)c1ccc(-c2cc3c(cc2CN2CCC[C@@H](CO)C2)OCO3)cc1 ZINC000013530487 HF Annotated Anodyne CS(=O)(=O)c1ccc(-c2cc3c(cc2CN2CCC[C@H](CO)C2)OCO3)cc1 ZINC000013530489 HF Annotated Anodyne COc1ccc(C(=O)N[C@@H](C(=O)NCC2CCN(C(C)C)CC2)c2ccco2)cc1 ZINC000013534876 HF Annotated Anodyne Cc1c(C(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C[C@@H](O)CNC(C)(C)C ZINC000013555959 HF Annotated Anodyne Cc1c(C(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C[C@H](O)CNC(C)(C)C ZINC000013555961 HF Annotated Anodyne Cc1c(C(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C[C@@H](O)CNC(C)(C)C ZINC000013555977 HF Annotated Anodyne Cc1c(C(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C[C@H](O)CNC(C)(C)C ZINC000013555979 HF Annotated Anodyne COc1ccccc1CCN/C(N)=N/c1nc(-c2ccc(CNC(C)=O)o2)cs1 ZINC000013557268 HF Annotated Mild COc1ccc(CCN/C(N)=N/c2nc(-c3ccc(CNC(C)=O)o3)cs2)cc1 ZINC000013557271 HF Annotated Mild C/C(=C\Cn1oc(=O)[nH]c1=O)c1cccc(OCc2noc(-c3ccccc3)n2)c1 ZINC000013558175 HF Annotated Anodyne COc1ccccc1CCN/C(N)=N/c1nc(-c2cccc(CNC(C)=O)n2)cs1 ZINC000013558602 HF Annotated Mild COc1ccccc1CC/N=C(\N)Nc1nc(-c2cccc(CNC(C)=O)c2)co1 ZINC000013558613 HF Annotated Mild COC(=O)[C@@H]1CSCc2c(O)cc(OC)c(C)c2C(=O)OCCC/C(S)=N/1 ZINC000013559805 HF Annotated Anodyne COC(=O)c1c(C)c(OC)cc(O)c1CSC[C@H](/N=C(/C)S)C(=O)OC ZINC000013559810 HF Annotated Mild Cc1cccc(COc2nn3c(-c4ncn(C)n4)nnc3c3c2C2CCC3CC2)n1 ZINC000013580828 HF Annotated Anodyne Cc1cccc(COc2nn3c(-c4ncnn4C)nnc3c3c2C2CCC3CC2)n1 ZINC000013580829 HF Annotated Anodyne CC(C)(C)[C@@H](NC(=O)c1ccc(Cl)cc1)N/C(=N/c1cccnc1)N[N+](=O)[O-] ZINC000013588820 HF Annotated Mild CC(C)(C)[C@H](NC(=O)c1ccc(Cl)cc1)N/C(=N/c1cccnc1)N[N+](=O)[O-] ZINC000013588821 HF Annotated Mild CC(Cl)(Cl)[C@@H](NC(=O)c1cccc(F)c1)N/C(=N/c1cccnc1)NC#N ZINC000013588844 HF Annotated Mild CC(Cl)(Cl)[C@H](NC(=O)c1cccc(F)c1)N/C(=N/c1cccnc1)NC#N ZINC000013588845 HF Annotated Mild CC(C)c1csc(CN2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)n1 ZINC000013593806 HF Annotated Anodyne COc1cccc(CC2(CO)CCN(Cc3cnc(N4CCOCC4)s3)CC2)c1 ZINC000013593819 HF Annotated Anodyne Cc1cc(CNCc2c(C(=O)N(C)Cc3ccccc3)nc3ccccn23)nn1C ZINC000013595333 HF Annotated Anodyne O=C1NCCN(C(=O)CCc2nnc(-c3ccsc3)o2)[C@H]1c1ccc(F)cc1 ZINC000013596602 HF Annotated Anodyne O=C1NCCN(C(=O)CCc2nnc(-c3ccsc3)o2)[C@@H]1c1ccc(F)cc1 ZINC000013596605 HF Annotated Anodyne O=C(c1nc2ccccn2c1CNCCn1ccc2ccccc21)N1CCOCC1 ZINC000013596613 HF Annotated Anodyne COc1ccc(CNCc2c(C(=O)N(C)C)nc3ccc(Cl)cn23)c(OC)c1 ZINC000013596616 HF Annotated Anodyne O=C1NCCN(Cc2ccc(Cl)c(F)c2)[C@H]1CC(=O)N1CCc2ccccc2C1 ZINC000013596880 HF Annotated Anodyne O=C1NCCN(Cc2ccc(Cl)c(F)c2)[C@@H]1CC(=O)N1CCc2ccccc2C1 ZINC000013596882 HF Annotated Anodyne Cn1cc(CCC(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cn1 ZINC000013596999 HF Annotated Anodyne Cn1cc(CCC(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)cn1 ZINC000013597002 HF Annotated Anodyne CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2SC5)CC1 ZINC000013600106 HF Annotated Anodyne O=C(/C=C/C#Cc1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)NO ZINC000013604339 HF Annotated Mild COC(=O)c1[nH]c2ccc(CCN3C(=O)c4ccccc4C3=O)cc2c1CCN(C)C ZINC000013605915 HF Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CSC3=O)cc2c1CCN(C)C ZINC000013605919 HF Annotated Anodyne CC(C)OC(=O)c1[nH]c2ccc(CN3C(=O)NC(C)(C)C3=O)cc2c1CCN(C)C ZINC000013605929 HF Annotated Anodyne O=C1c2c(c(O)c3nnccc3c2O)C(=O)N1Cc1cccc(Br)c1 ZINC000013612230 HF Annotated Anodyne O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1ccccc1Br ZINC000013612308 HF Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=C[C@H](C)[C@H]1CCCO ZINC000013634616 HF Annotated Anodyne O=C(C1=C[C@H](C2CC2)C[C@H](OCCCCO)O1)N1CCN(Cc2ccccc2)CC1 ZINC000013634703 HF Annotated Anodyne CCO[C@H]1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=C[C@@H](C)[C@@H]1CCCO ZINC000013634742 HF Annotated Anodyne O=C(C1=C[C@@H](C2CC2)C[C@@H](OCCCCO)O1)N1CCN(Cc2ccccc2)CC1 ZINC000013634785 HF Annotated Anodyne CN1CCN(C(=O)C2=C[C@H](c3ccccc3)C[C@H](OCc3ccc(CO)cc3)O2)CC1 ZINC000013634823 HF Annotated Anodyne CN(Cc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1)Cc1nccn1C ZINC000013636701 HF Annotated Anodyne CN(Cc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1)Cc1nccn1C ZINC000013636704 HF Annotated Anodyne Cc1cccn2c(CNCCSc3nccn3C)c(C(=O)N3CCCCC3)nc12 ZINC000013636768 HF Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCCCNc2nsc3nccn23)cc1 ZINC000013641268 HF Annotated Bother Cc1c(/C=C/CN2CCN(c3cc(F)cc(F)c3)CC2)cnn1-c1nccc(N)n1 ZINC000013649085 HF Annotated Anodyne Cc1c(/C=C/CN2CCN(c3cc(F)cc(F)c3)CC2)cnn1-c1ccnc(N)n1 ZINC000013649086 HF Annotated Anodyne CCNC[C@@H]1CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(CC)c3c2Cl)C1 ZINC000013649657 HF Annotated Anodyne CCNC[C@H]1CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(CC)c3c2Cl)C1 ZINC000013649659 HF Annotated Anodyne CCNC[C@@H]1CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 ZINC000013649694 HF Annotated Anodyne CCNC[C@H]1CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 ZINC000013649696 HF Annotated Anodyne Cc1c(F)c(N2CCNCC2)cc2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F ZINC000013649750 HF Annotated Anodyne Cc1c(F)c(N2CC[C@@H](N)C2)cc2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F ZINC000013649754 HF Annotated Anodyne Cc1c(F)c(N2CC[C@H](N)C2)cc2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F ZINC000013649756 HF Annotated Anodyne CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(S(=O)(=O)NC2CCCC2)cc1 ZINC000013649999 HF Annotated Clean O=C(O)c1cn(-c2ccc(F)cc2)c2c(F)c(N3C[C@@H]4C[C@H]3CN4)c(F)cc2c1=O ZINC000013650292 HF Annotated Anodyne O=C1C[C@@]2(C(=O)N1)c1ccccc1S(=O)(=O)N2Cc1ccc(-c2ccccc2)cc1 ZINC000013651438 HF Annotated Anodyne O=C1C[C@]2(C(=O)N1)c1ccccc1S(=O)(=O)N2Cc1ccc(-c2ccccc2)cc1 ZINC000013651439 HF Annotated Anodyne COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc(OC)c(OC)c(OC)c1C3=O ZINC000013652365 HF Annotated Clean C#CCNC(=O)C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCCCCO)O1 ZINC000013656406 HF Annotated Mild C#CCNC(=O)C1=C[C@H](c2ccc3c(c2)OCO3)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013656454 HF Annotated Mild C#CCNC(=O)C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCCCCO)O1 ZINC000013656479 HF Annotated Mild C#CCNC(=O)C1=C[C@H](c2ccc(Br)cc2)[C@@H](CCCO)[C@H](OCC)O1 ZINC000013656495 HF Annotated Mild C#CCNC(=O)C1=C[C@@H](c2ccc(Br)cc2)[C@H](CCCO)[C@@H](OCC)O1 ZINC000013656516 HF Annotated Mild NC(=O)C1=C[C@@H](c2coc3ccccc3c2=O)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013656519 HF Annotated Anodyne NC(=O)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013656560 HF Annotated Anodyne C#CCNC(=O)C1=C[C@@H](c2cn(C(C)=O)c3ccccc23)C[C@@H](OCCCCO)O1 ZINC000013656566 HF Annotated Mild CN1CCN(C(=O)C2=C[C@@H](C(C)(C)C)C[C@@H](OCc3ccc(CO)cc3)O2)CC1 ZINC000013656850 HF Annotated Anodyne CN1CCN(C(=O)C2=C[C@@H](c3ccccc3)C[C@@H](OCc3ccc(CO)cc3)O2)CC1 ZINC000013656931 HF Annotated Anodyne CCO[C@H]1OC(C(=O)NC2CC2)=C[C@@H](c2coc3ccccc3c2=O)[C@@H]1CCCO ZINC000013657299 HF Annotated Anodyne C#CCNC(=O)C1=C[C@H](c2cn(C(C)=O)c3ccccc23)[C@@H](CCCO)[C@H](OCC)O1 ZINC000013657371 HF Annotated Mild O=C1CCN(S(=O)(=O)c2ccccc2)CCN1CCOCc1ccc(Cl)cc1 ZINC000013659687 HF Annotated Anodyne COc1cc(C(=O)O)c(O)cc1NC(=O)NC(=O)c1cc(F)c(F)cc1Cl ZINC000013673977 HF Annotated Anodyne O=C(Cn1c(=O)n(-c2ccccc2)c(=O)n1CC(=O)c1ccccc1)c1ccccc1 ZINC000013675215 HF Annotated Anodyne Nc1c(C(=O)c2ccc(C#CCN3CCOCC3)cc2)cnn1-c1ccc(F)cc1 ZINC000013683044 HF Annotated Mild CC1(C)CC(=O)C(/C=N/CCN2CCN(C(=O)Cc3ccc(F)cc3)CC2)=C(O)C1 ZINC000013718904 HF Annotated Mild O=C(c1cn(C(=O)N2CCOCC2)c2ccccc12)[C@@H]1CS[C@@H](c2cccnc2)N1 ZINC000013737480 HF Annotated Anodyne O=C(c1cn(C(=O)N2CCOCC2)c2ccccc12)[C@@H]1CS[C@H](c2cccnc2)N1 ZINC000013737481 HF Annotated Anodyne O=C1c2ccccc2[C@]2(CC(O)=NC2=O)C(=O)N1Cc1ccc(Br)cc1 ZINC000013737593 HF Annotated Anodyne O=C1c2ccc(F)cc2[C@@]2(CC(O)=NC2=O)C(=O)N1Cc1nc2ccccc2s1 ZINC000013737604 HF Annotated Anodyne O=C(C[C@@H]1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23)Nc1ccccc1 ZINC000013739768 HF Annotated Anodyne O=C(C[C@H]1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23)Nc1ccccc1 ZINC000013739769 HF Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@]45O[C@@H]4C(=O)[C@@H](S(C)(=O)=O)C[C@]5(C)[C@H]3CC[C@]12C ZINC000013742763 HF Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@]45O[C@@H]4C(=O)[C@H](S(C)(=O)=O)C[C@]5(C)[C@H]3CC[C@]12C ZINC000013742764 HF Annotated Anodyne O=[S@@](Cc1ccccc1N1CCOCC1)c1nc2c(n1-c1ccccn1)CCC2 ZINC000013746320 HF Annotated Anodyne O=[S@](Cc1ccccc1N1CCOCC1)c1nc2c(n1-c1ccccn1)CCC2 ZINC000013746322 HF Annotated Anodyne COc1nc(O[C@@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)nc2c1CCO2 ZINC000013756059 HF Annotated Anodyne COc1nc(O[C@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)nc2c1CCO2 ZINC000013756061 HF Annotated Anodyne Cc1cc(O)c([C@@H](c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C2CC2)c(=O)o1 ZINC000013756555 HF Annotated Anodyne CSCC[C@H](NC(=S)c1cccc2c(NC[C@@H](N)CS)cccc12)C(=O)O ZINC000013762256 HF Annotated Mild CSCC[C@@H](C(=O)O)N(C)C(=O)c1cccc2c(NC[C@@H](N)CS)cccc12 ZINC000013762260 HF Annotated Mild COC(=O)[C@H](CCSC)NC(=O)c1cccc2c(NC[C@@H](N)CS)cccc12 ZINC000013762264 HF Annotated Mild N=C(c1ccc(C(=O)Nc2ccc3c(c2)C[C@H](CC(=O)O)CO3)cc1)N1CCOCC1 ZINC000013781420 HF Annotated Anodyne N#Cc1cccc(C(=O)N2CCC(CNCc3cccc(-n4cccn4)n3)CC2)c1 ZINC000013782332 HF Annotated Mild Cc1ccc(C(=O)[C@@H](C)OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 ZINC000013785178 HF Annotated Anodyne Cc1ccc(C(=O)[C@H](C)OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 ZINC000013785180 HF Annotated Anodyne C[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)CCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000013804095 HF Annotated Anodyne CC(C)[C@H]1CN(C(=O)c2ccc(C#N)cc2)[C@H](C)CN1C(=O)[C@@](C)(O)C(F)(F)F ZINC000013804134 HF Annotated Mild CS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 ZINC000013813432 HF Annotated Mild CCOC(=O)C1=C(C)c2ccccc2N(S(=O)(=O)C(F)(F)F)[C@H]1C(=O)OCC ZINC000013814040 HF Annotated Anodyne CCOC(=O)C1=C(C)c2ccccc2N(S(=O)(=O)C(F)(F)F)[C@@H]1C(=O)OCC ZINC000013814043 HF Annotated Anodyne O=S(=O)(CCc1ccccc1)c1nnnn1-c1ccc(F)cc1Br ZINC000013815240 HF Annotated Anodyne COC/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3ccc(Cl)nc3)C(=O)C2=CO1 ZINC000013815593 HF Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3ccc(Cl)nc3)C(=O)C2=CO1 ZINC000013815597 HF Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CO1 ZINC000013815601 HF Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CO1 ZINC000013815605 HF Annotated Mild CCN1C(=O)N(S(=O)(=O)C(F)(F)F)[C@@H](c2ccccc2)C(C(=O)OC)=C1C ZINC000013816408 HF Annotated Anodyne CN(C)CCN1C2=C(C(=O)Nc3ccccc3F)C(=O)CCN2c2ccc(F)cc21 ZINC000013817122 HF Annotated Mild COC(=O)CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(C3CC3)N(C3CCCC3)C=C2C1=O ZINC000013817202 HF Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C=C2C=C(C3CC3)N(C3CCCC3)C=C2C1=O ZINC000013817205 HF Annotated Mild C=CC1=C2C=C(C3CC3)N(CCOC)C=C2C(=O)[C@@](C)(OC(=O)c2ccco2)C1=O ZINC000013817713 HF Annotated Mild C=CC1=C2C=C(C3CC3)N(CCOC)C=C2C(=O)[C@](C)(OC(=O)c2ccco2)C1=O ZINC000013817716 HF Annotated Mild CCCCc1cc2c(cn1)=C(OC(=O)c1cccs1)[C@](C)(OC(=O)CC)C(=O)C=2 ZINC000013817719 HF Annotated Anodyne CCCCc1cc2c(cn1)=C(OC(=O)c1cccs1)[C@@](C)(OC(=O)CC)C(=O)C=2 ZINC000013817722 HF Annotated Anodyne CCCOC(=O)CCN1CCC(C(=O)OC)(N(C(=O)CC)c2ccccc2)CC1 ZINC000013822777 HF Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC(C)C)CC1 ZINC000013822779 HF Annotated Anodyne COC(=O)CCN(Cc1ccco1)S(=O)(=O)c1ccc(F)cc1Br ZINC000013830165 HF Annotated Anodyne COc1ccc([C@@H]2C=C3CNS(=O)(=O)[C@@H]3C[C@@H]2OC(=O)c2cccs2)cc1 ZINC000013830711 HF Annotated Anodyne COc1ccc([C@H]2C=C3CNS(=O)(=O)[C@@H]3C[C@@H]2OC(=O)c2cccs2)cc1 ZINC000013830713 HF Annotated Anodyne COc1ccc([C@@H]2C=C3CNS(=O)(=O)[C@H]3C[C@@H]2OC(=O)c2cccs2)cc1 ZINC000013830715 HF Annotated Anodyne COc1ccc([C@H]2C=C3CNS(=O)(=O)[C@H]3C[C@@H]2OC(=O)c2cccs2)cc1 ZINC000013830717 HF Annotated Anodyne COc1ccc([C@@H]2C=C3CNS(=O)(=O)[C@@H]3C[C@@H]2OC(=O)c2cccc(C)c2)cc1 ZINC000013830796 HF Annotated Anodyne COc1ccc([C@H]2C=C3CNS(=O)(=O)[C@@H]3C[C@@H]2OC(=O)c2cccc(C)c2)cc1 ZINC000013830798 HF Annotated Anodyne COc1ccc([C@@H]2C=C3CNS(=O)(=O)[C@H]3C[C@@H]2OC(=O)c2cccc(C)c2)cc1 ZINC000013830800 HF Annotated Anodyne COc1ccc([C@H]2C=C3CNS(=O)(=O)[C@H]3C[C@@H]2OC(=O)c2cccc(C)c2)cc1 ZINC000013830802 HF Annotated Anodyne Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCOCC3)c(=O)[nH]c2c1C ZINC000013831846 HF Annotated Anodyne CCN1C(=O)OC2(CCN(CC#CCOC(=O)Nc3cccc(Cl)c3)CC2)C1=O ZINC000013832502 HF Annotated Mild COC(=O)CCN1C(=S)C(CCC(=O)OC)(CCC(=O)OC)c2ccccc21 ZINC000013832590 HF Annotated Anodyne COc1cc(Cc2nc3c(N)nc(F)nc3n2CC2CCC2)cc(OC)c1OC ZINC000013839153 HF Annotated Anodyne C[C@H](NS(=O)(=O)c1ccccc1)/C(O)=N/C1=NN=C(c2ccc(F)cc2)CS1 ZINC000013864131 HF Annotated Mild C[C@@H](NS(=O)(=O)c1ccccc1)/C(O)=N/C1=NN=C(c2ccc(F)cc2)CS1 ZINC000013864143 HF Annotated Mild CCNC(=S)N1CCN(CC/N=C/C2=C(O)C[C@H](c3cccs3)CC2=O)CC1 ZINC000013879145 HF Annotated Mild O=C(OCN1C(=O)C2=C([C@H]3CC[C@@H]2C3)S1(=O)=O)c1c(Cl)cccc1Cl ZINC000013898006 HF Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)c2ccc(O)cc2)CC(=O)O1 ZINC000013918883 HF Annotated Anodyne CC1(C)CN(S(=O)(=O)c2ccccc2F)c2cccc(N3CCNCC3)c2O1 ZINC000013982321 HF Annotated Anodyne COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2[C@@H]1[C@@H]1CC[C@@]3(CCC(=O)O3)[C@@]1(C)[C@H]1O[C@H]21 ZINC000135679017 HF Annotated Mild in-vivo CC[C@H]1O[C@]2(C)[C@@H](O)[C@H](/C=C/C=C/C=C/c3oc(=O)cc(OC)c3C)O[C@]1(C)[C@H]2O ZINC000135762228 HF Annotated Anodyne C=C1[C@H](O)C[C@H]2C(C)(C)[C@@H](Cl)[C@H](Cl)C[C@]2(C)[C@H]1C[C@H](O)[C@@H]1CC(=O)NC1=O ZINC000135796311 HF Annotated Reactive O=C1OCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(CCCS1(=O)=O)N2 ZINC000135976573 HF Annotated Anodyne N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4cc(F)cc(F)c4)C(=O)[C@H]3[C@H]3CCCN23)cc1 ZINC000136044780 HF Annotated Anodyne N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4cc(F)cc(F)c4)C(=O)[C@H]3[C@@H]3CCCN32)cc1 ZINC000136044823 HF Annotated Anodyne CC[C@@H](C[C@@H]1CC[C@H]([C@@H](C)C(=O)O)O1)OC(=O)[C@@H](C)[C@H]1CC[C@@H](C[C@H](C)O)O1 ZINC000136046341 HF Annotated Anodyne O=C(CSC1=NN/C(=C2/C=CC=CC2=O)O1)Oc1ccc(Br)cc1 ZINC000136094343 HF Annotated Mild C[C@H]1CC[C@@]23C1=C[C@@]1(C)CC[C@](C)(C[C@H](O)[C@H](O)[C@@](C)(O)CO)[C@H]1[C@@H]2C[C@@H](O)[C@@H]3C ZINC000136114280 HF Annotated Anodyne C=C1C(=O)O[C@H]2C/C(COC(C)=O)=C\C/C=C(/COC(=O)C=C(C)C)[C@H](O)C[C@H]12 ZINC000136137667 HF Annotated Mild O=C(NC[C@@H]1CCCO1)C1=CC2=N[C@H](c3ccc(F)cc3)C[C@@H](C(F)(F)F)N2N1 ZINC000136466062 HF Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3[C@H](O)C3=COC(=O)[C@H]32)OCO4)cc(OC)c1OC ZINC000136495605 HF Annotated Anodyne CN(C)/C=N/C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)/N=C/N(C)C ZINC000136571017 HF Annotated Mild O=C(NC[C@@H]1CCCO1)C1=CC2=N[C@@H](c3ccc(F)cc3)C[C@@H](C(F)(F)F)N2N1 ZINC000136622013 HF Annotated Anodyne CC[C@H](C)NC(=O)C1=CNN2C1=N[C@H](c1ccc3c(c1)OCO3)C[C@H]2C(F)(F)F ZINC000136641927 HF Annotated Anodyne C[C@H]1C[C@@H](O)[C@@]23C1=C[C@@]1(C)CC[C@](C)(C[C@H](O)[C@H](O)[C@@](C)(O)CO)[C@H]1[C@@H]2CC[C@@H]3C ZINC000136657709 HF Annotated Anodyne CC[C@@H](O)C[C@H]1CC[C@@H]([C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)O)O2)O1 ZINC000136808926 HF Annotated Anodyne NC(=O)c1ccc2[nH]c3ncnc(N4CCC(O)(Cc5ccccc5)CC4)c3c2c1 ZINC000136891048 HF Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(CCCS1(=O)=O)N2 ZINC000136941105 HF Annotated Anodyne CC[C@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H](C[C@H](O)CC)CC[C@@H](O)[C@@H](C)C(=O)O1 ZINC000136989629 HF Annotated Anodyne CC/C=C\C/C=C\CC/C=C(\C#CC#CCCC(=O)OC[C@H](O)CO)OC(C)=O ZINC000137342576 HF Annotated Mild CCN(CC)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1cccc(OC)c1 ZINC000137508630 HF Annotated Anodyne O=C1NC(=O)[C@@H]2C=C[C@H]([C@H](O)[C@H]3CC=CCC3)N(Nc3ccc(Cl)cc3Cl)[C@H]12 ZINC000137592712 HF Annotated Anodyne O=C1NC(=O)[C@@H]2C=C[C@H]([C@H](O)[C@@H]3CC=CCC3)N(Nc3ccc(Cl)cc3Cl)[C@H]12 ZINC000137592807 HF Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/CO)[C@H](OC(C)=O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 ZINC000137700012 HF Annotated Anodyne biogenic COC(=O)[C@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2[C@@H]1[C@@H]1CC[C@@]3(CCC(=O)O3)[C@@]1(C)[C@H]1O[C@H]21 ZINC000137703376 HF Annotated Mild in-vivo COC(=O)[C@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2[C@@H]1[C@@H]1CC[C@@]3(CCC(=O)O3)[C@@]1(C)[C@H]1O[C@@H]21 ZINC000137703478 HF Annotated Mild in-vivo CCCCCCC[C@H](O)[C@H]1C(=O)O[C@@]2(C)C(=O)C3=C(C[C@H]12)C[C@@]1(C=CC(=O)O1)OC3 ZINC000137742391 HF Annotated Mild CC(=O)OCC1=CCC[C@@H]2[C@@]3(C[C@@H](c4ccoc4)OC3=O)[C@H](C)C[C@@H](O)[C@@]12CO ZINC000137835640 HF Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4nc1n3C)[C@@H](O)[C@@H](O)C(C)(C)O2 ZINC000138158062 HF Annotated Bother COc1ccc(CCCO)c(Nc2nc3ccccc3nc2NS(C)(=O)=O)c1 ZINC000138161561 HF Annotated Anodyne C[C@@H](CCOc1ccc(CCNC(=O)/C=C/[S@](C)=O)cc1)C1=CC(=O)C(C)(C)O1 ZINC000138300750 HF Annotated Mild C[C@@H](CCOc1ccc(CCNC(=O)CC[S@](C)=O)cc1)C1=CC(=O)C(C)(C)O1 ZINC000138301187 HF Annotated Mild Cc1cc2c(cc1C)[n+](=O)c(C(=O)CC(=O)C(=O)Nc1ccccc1C)c(C)n2O ZINC000138310032 HF Annotated Anodyne COc1ccc2c(c1)[n+](=O)c(C(=O)CC(=O)C(=O)Nc1cccc(C)c1C)c(C)n2O ZINC000138360343 HF Annotated Anodyne Cc1cc2c(cc1C)[n+](=O)c(N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)c(C#N)n2O ZINC000139032355 HF Annotated Mild CC(=O)O[C@@H]1CC(C)(C)C2=C(O)C(=O)c3c(O)c([C@H](C)CO)c(O)c(O)c3[C@@]2(C)C1 ZINC000139074329 HF Annotated Mild CC1=C[C@@H]2[C@H](O)[C@@H](C)[C@H](O)[C@H]2[C@H]2[C@@H]1C[C@H]1[C@@H]2C2=C3O[C@]1(C)CC[C@@H](OC2=O)[C@@H]3C ZINC000139118726 HF Annotated Anodyne C/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3c(OC)cc(O)c(O)c3C)C(=O)C2=CO1 ZINC000139211617 HF Annotated Mild CC(=O)O[C@@H]1C(=O)C(C)(C)CCC(=O)[C@H](C)[C@H]2Cc3occc3[C@@H]3C(=O)O[C@@H]1[C@H]23 ZINC000139475101 HF Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)CN(C(=O)c1ccc2c(c1)OCO2)C(C)C ZINC000139536111 HF Annotated Anodyne CCCCCCC[C@H](O)[C@H]1C(=O)O[C@@]2(C)C(=O)C3=C(C[C@H]12)C[C@]1(C=CC(=O)O1)OC3 ZINC000139603514 HF Annotated Mild Cc1ccc(C(=O)N2CCOCC2)cc1Nc1nccn1-c1cc(NC2CC2)ncn1 ZINC000139716020 HF Annotated Anodyne C=CC(C)(C)[C@@]12C[C@H]3C(=O)N[C@@H](C(C)C)C(=O)N3[C@@H]1N(C(=O)CC)c1ccccc12 ZINC000139716355 HF Annotated Mild CC(C)CN(C[C@@H](O)COc1ccc2[nH]ccc2c1)S(=O)(=O)c1ccc(N)cc1 ZINC000139743343 HF Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@]2(OC(C)=O)[C@@H]2OC(=O)[C@H](C)[C@H]12 ZINC000139789497 HF Annotated Mild Cc1cc2c(c(=O)o1)[C@@]1(C(=O)N(C)c3ccc([N+](=O)[O-])cc31)C1=C(CCCC1=O)O2 ZINC000139911530 HF Annotated Mild O=C(Cn1ccccc1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 ZINC000139920518 HF Annotated Anodyne COC(=O)C1=CO[C@H](O)[C@H]2[C@@H]1Cc1nc(C(=O)O)cc3c4ccccc4n(c13)[C@@H]2C ZINC000014414390 HF Annotated Anodyne CC(=O)N[C@@H](C(=O)O[C@@H](/C=C/C=C\C=C\C(=O)O)[C@@]1(C)CO1)[C@H](C)c1ccccc1 ZINC000014415760 HF Annotated Anodyne in-man endogenous CC(=O)N[C@@H](C(=O)O[C@@H](/C=C/C=C\C=C\C(=O)O)[C@@]1(C)CO1)[C@@H](C)c1ccccc1 ZINC000014415762 HF Annotated Anodyne in-man endogenous CC(=O)N[C@H](C(=O)O[C@@H](/C=C/C=C\C=C\C(=O)O)[C@@]1(C)CO1)[C@H](C)c1ccccc1 ZINC000014415763 HF Annotated Anodyne in-man endogenous CC(=O)N[C@H](C(=O)O[C@@H](/C=C/C=C\C=C\C(=O)O)[C@@]1(C)CO1)[C@@H](C)c1ccccc1 ZINC000014415765 HF Annotated Anodyne in-man endogenous COC(=O)C1=CO[C@@H](C)[C@@H]2C[n+]3ccc4c([nH]c5cc(OC)c(OC)cc54)c3C[C@H]12 ZINC000014417378 HF Annotated Anodyne in-vitro COc1ccc([C@@H](O)[C@@H]2CO[C@@H](c3ccc(OC)c(OC)c3)[C@@H]2CO)cc1OC ZINC000014435796 HF Annotated Anodyne in-vitro COc1ccc([C@@H](O)[C@H]2CO[C@@H](c3ccc(OC)c(OC)c3)[C@@H]2CO)cc1OC ZINC000014435800 HF Annotated Anodyne COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c3c(c2)OCO3)cc(OC)c1O ZINC000014437762 HF Annotated Anodyne biogenic in-vivo COc1cc(C[C@@H]2C(=O)OC[C@H]2Cc2cc(OC)c3c(c2)OCO3)cc(OC)c1O ZINC000014437794 HF Annotated Anodyne in-vitro biogenic COc1cc(C[C@@H]2COC(=O)[C@H]2Cc2cc(OC)c3c(c2)OCO3)cc2c1OCO2 ZINC000014437799 HF Annotated Anodyne in-vitro biogenic COc1cc2c(c(OC)c1OC)C(=O)c1c(OC)c(C)c(OC)c(OC)c1C2=O ZINC000014437947 HF Annotated Clean CC/C=C\C/C=C\CC/C=C(/C#CC#CCCC(=O)OC[C@H](O)CO)OC(C)=O ZINC000014494683 HF Annotated Mild COc1cccc2c(=O)c3c(OC[C@H](O)CCl)cc(OC[C@@H]4CO4)cc3oc12 ZINC000140051271 HF Annotated Unstable COc1cccc2c(=O)c3c(OC[C@@H](O)CCl)cc(OC[C@@H]4CO4)cc3oc12 ZINC000140051407 HF Annotated Unstable COc1cccc2c(=O)c3c(OC[C@H](O)CCl)cc(OC[C@H]4CO4)cc3oc12 ZINC000140051549 HF Annotated Unstable COc1cccc2c(=O)c3c(OC[C@@H](O)CCl)cc(OC[C@H]4CO4)cc3oc12 ZINC000140051692 HF Annotated Unstable O=C(Cc1cccnc1)N1CC[C@H]2N=Cc3c([nH]n(-c4ccc(Cl)cc4)c3=O)[C@@H]2C1 ZINC000140083403 HF Annotated Anodyne O=C(Cc1cccnc1)N1CC[C@@H]2N=Cc3c([nH]n(-c4ccc(Cl)cc4)c3=O)[C@@H]2C1 ZINC000140083533 HF Annotated Anodyne O=C(Cc1cccnc1)N1CC[C@H]2N=Cc3c([nH]n(-c4ccc(Cl)cc4)c3=O)[C@H]2C1 ZINC000140083652 HF Annotated Anodyne O=C(Cc1cccnc1)N1CC[C@@H]2N=Cc3c([nH]n(-c4ccc(Cl)cc4)c3=O)[C@H]2C1 ZINC000140083815 HF Annotated Anodyne COc1cc([C@@]23OC[C@@H]4[C@@H](OC[C@@H]42)c2cc(OC)c(O)c(OC)c23)cc(OC)c1O ZINC000140119788 HF Annotated Anodyne CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(S(C)(=O)=O)cc2)on1 ZINC000140147121 HF Annotated Anodyne COc1cnc2ccn([C@H](C)c3nnc4c(F)cc(-c5cnn(C)c5)cn34)c(=O)c2c1 ZINC000140155323 HF Annotated Anodyne COc1ccc([C@@H]2C=C3CNS(=O)(=O)[C@H]3C[C@H]2OC(=O)c2cccc(C)c2)cc1 ZINC000140195463 HF Annotated Anodyne COc1ccc([C@@H]2C=C3CNS(=O)(=O)[C@H]3C[C@H]2OC(=O)c2cccs2)cc1 ZINC000140195619 HF Annotated Anodyne COc1cc([C@@H]2Oc3c(cc(/C=C\C(=O)O)c(O)c3C)C[C@H]2O)cc(OC)c1OC ZINC000140237203 HF Annotated Anodyne COC1CCC2(CC1)Cc1ccc(-c3ncco3)cc1[C@@]21N=C(N)N(CCF)C1=O ZINC000140451622 HF Annotated Anodyne COC1CCC2(CC1)Cc1ccc(-c3ncco3)cc1[C@]21N=C(N)N(CCF)C1=O ZINC000140451780 HF Annotated Anodyne C=C1[C@@H](O)C[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1C[C@@](C)(O)[C@@H](O)CC[C@@](C)(OC(=O)CCC)[C@@H]2O1 ZINC000140509330 HF Annotated Mild C=C(C)[C@H]1Cc2oc(cc2C(=O)OC)[C@H](C(=C)C)[C@H]2C=C(C(=O)O2)[C@H](OC)[C@@H]1O ZINC000140520206 HF Annotated Mild COC1=C(OC)C(=O)[C@]23C(=C1)C[C@@H](C)[C@]2(C)[C@@H](O)c1cc2c(c(OC)c13)OCO2 ZINC000140917744 HF Annotated Mild COC1=C[C@H]2[C@H]3Cc4c(Br)cc(OC)c(O)c4[C@@]2(CCN3C)CC1=O ZINC000140949938 HF Annotated Mild C[C@@H](O)/C=C/[C@](C)(O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3C[C@@H](O)[C@@]21C ZINC000141030017 HF Annotated Mild COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)NCc2ccccn2)c(OC)c1 ZINC000141775999 HF Annotated Anodyne COc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc2c1OCO2 ZINC000141860188 HF Annotated Anodyne COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)NCc2ccccn2)c(OC)c1 ZINC000141860670 HF Annotated Anodyne COc1cc(-c2cc3ncccc3c(OC[C@@H]3CC(=O)NO3)n2)cc(OC)c1OC ZINC000141868445 HF Annotated Anodyne COc1cc(-c2cc3ncccc3c(OC[C@H]3CC(=O)NO3)n2)cc(OC)c1OC ZINC000141868670 HF Annotated Anodyne COc1cc(-c2cc3ncccc3c(OC[C@@H]3CNC(=O)C3)n2)cc(OC)c1OC ZINC000141878084 HF Annotated Anodyne COc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)cc(OC)c1OC ZINC000141878290 HF Annotated Anodyne Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n([C@H](C)CO)c2n1 ZINC000142038386 HF Annotated Anodyne C[C@@H]1Cc2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc3n2C)CN1 ZINC000142042015 HF Annotated Anodyne C[C@H]1Cc2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc3n2C)CN1 ZINC000142042224 HF Annotated Anodyne C[C@@H]1Cc2c(c3ccc(N4CCN(CCc5ccc(F)cc5)CC4=O)nc3n2C)CN1 ZINC000142045423 HF Annotated Anodyne C[C@H]1Cc2c(c3ccc(N4CCN(CCc5ccc(F)cc5)CC4=O)nc3n2C)CN1 ZINC000142045625 HF Annotated Anodyne Cn1cc(-c2cc(OCC(N)=O)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000142076852 HF Annotated Anodyne Cn1cc(-c2cc(OCC(N)=O)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000142077083 HF Annotated Anodyne CC(=O)NCCNC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1 ZINC000142168769 HF Annotated Anodyne CS(=O)(=O)Nc1cccc(NCC(=O)Nc2nc3ccc4[nH]ncc4c3s2)c1 ZINC000142272358 HF Annotated Anodyne C=C(C(=O)OC)[C@@H]1CC[C@@](C)(O)[C@H](OC(C)=O)CC[C@@](C)(O)/C=C/C[C@]2(C)O[C@H]2C1 ZINC000142374943 HF Annotated Mild C=C(C(=O)OC)[C@@H]1CC[C@@](C)(O)[C@H](OC(C)=O)CC[C@](C)(O)/C=C/C[C@]2(C)O[C@H]2C1 ZINC000142375356 HF Annotated Mild N[C@@H]1CCc2ccc(OCCNS(=O)(=O)C3CC3)cc2[C@@H]1Cc1ccccc1 ZINC000142434336 HF Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)C3CC3)cc2[C@@H]1Cc1ccccc1 ZINC000142434560 HF Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)C3CC3)cc2[C@H]1Cc1ccccc1 ZINC000142434759 HF Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)C3CC3)cc2[C@H]1Cc1ccccc1 ZINC000142434968 HF Annotated Anodyne CS(=O)(=O)NC1CCN(c2cc(-c3ccc(Cl)cn3)c(Cl)cn2)CC1 ZINC000142454347 HF Annotated Anodyne Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(CC(C)(C)O)c2n1 ZINC000142523969 HF Annotated Anodyne C/C(=N\OCCO)c1ccc2nnc([C@H](C)c3c(F)cc4ncccc4c3F)n2n1 ZINC000142581833 HF Annotated Mild C/C(=N\OCCO)c1ccc2nnc([C@@H](C)c3c(F)cc4ncccc4c3F)n2n1 ZINC000142582283 HF Annotated Mild CS(=O)(=O)NC1CCN(c2cc(-c3ncccc3Cl)c(Cl)cn2)CC1 ZINC000142618161 HF Annotated Anodyne CN(Cc1cccc(-c2cnc(N3CCC(c4cccnc4)CC3)nc2)c1)C(=O)CN ZINC000142799185 HF Annotated Anodyne N#Cc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)cc1 ZINC000142831673 HF Annotated Anodyne N#Cc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COCCO3)nc2=O)cc1 ZINC000142831859 HF Annotated Anodyne COc1ccccc1-c1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142872389 HF Annotated Anodyne COc1ccccc1-c1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000142872606 HF Annotated Anodyne N#Cc1ccccc1-c1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142879604 HF Annotated Anodyne N#Cc1ccccc1-c1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000142880445 HF Annotated Anodyne CC(C)(C)OCc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142880716 HF Annotated Anodyne CC(C)(C)OCc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000142880908 HF Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(COC3CCCC3)ccc1-2 ZINC000142886635 HF Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(COC3CCCC3)ccc1-2 ZINC000142887233 HF Annotated Anodyne CN(Cc1cccc(-c2cnc(N3CC=C(c4cccnc4)CC3)nc2)c1)C(=O)CN ZINC000142901981 HF Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(C#CC3CCCC3)ccc1-2 ZINC000142928551 HF Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(C#CC3CCCC3)ccc1-2 ZINC000142928766 HF Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(OCCCC3CC3)ccc1-2 ZINC000142947778 HF Annotated Anodyne Cc1cc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)ccn1 ZINC000142951260 HF Annotated Anodyne Cc1cc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COCCO3)nc2=O)ccn1 ZINC000142951476 HF Annotated Anodyne CC(C)(C)COc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142951924 HF Annotated Anodyne Cc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)cn1 ZINC000142976137 HF Annotated Anodyne Cc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COCCO3)nc2=O)cn1 ZINC000142976338 HF Annotated Anodyne Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n([C@@H](C)CO)c2n1 ZINC000142995623 HF Annotated Anodyne N#Cc1cccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)c1 ZINC000143033441 HF Annotated Anodyne N#Cc1cccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COCCO3)nc2=O)c1 ZINC000143033643 HF Annotated Anodyne CCCn1cc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)cn1 ZINC000143061255 HF Annotated Anodyne CCCn1cc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COCCO3)nc2=O)cn1 ZINC000143061466 HF Annotated Anodyne CC(C)(C)COCc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000143062700 HF Annotated Anodyne O=C(NC[C@@H]1CCCNC1)c1ccnc2[nH]c(-c3ccc(Br)o3)nc12 ZINC000143177656 HF Annotated Anodyne O=S1(=O)CCCN1CCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143273346 HF Annotated Anodyne O=S1(=O)CCCN1CCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143273547 HF Annotated Anodyne O=C1CC[C@H](COc2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)N1CCO ZINC000143274823 HF Annotated Anodyne O=C1CC[C@@H](COc2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)N1CCO ZINC000143275025 HF Annotated Anodyne O=C1CC[C@H](COc2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)N1CCO ZINC000143275246 HF Annotated Anodyne O=C1CC[C@@H](COc2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)N1CCO ZINC000143275464 HF Annotated Anodyne OC[C@@H](O)Cn1cc(-c2cc(F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000143339336 HF Annotated Anodyne OC[C@@H](O)Cn1cc(-c2cc(F)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000143339542 HF Annotated Anodyne O=C1CCCN1CCOc1cc(CO)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143368974 HF Annotated Anodyne O=C1CCCN1CCOc1cc(CO)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143369122 HF Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2ccc(Cc3ccccc3)nc21 ZINC000143411085 HF Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3ccccc3)cc21 ZINC000143445216 HF Annotated Anodyne in-vitro OCC1CCN(c2nccnc2C2CN(c3cnc4cc(Cl)ccc4n3)C2)CC1 ZINC000143561219 HF Annotated Anodyne CCN(CCn1ccc(-c2ccc(F)cn2)n1)C(=O)c1cc(F)ccc1-n1nccn1 ZINC000143658095 HF Annotated Anodyne Nc1ncc(-c2ccc3c(N)n[nH]c3c2)c(N2CCC3(CCNC3=O)CC2)c1Cl ZINC000143716958 HF Annotated Anodyne Cc1nn(C[C@H](F)CN2[C@H]3CC[C@H]2CC(OCc2cccc(F)c2)C3)c(=O)n1C ZINC000143763485 HF Annotated Anodyne CNS(=O)(=O)c1cccc(Nc2nc[nH]c3ncc(-c4ccc(C(=O)O)cc4)c2-3)c1 ZINC000143780327 HF Annotated Anodyne CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(N3CCCC[C@H]3C(N)=O)cc1OCC2 ZINC000144042737 HF Annotated Anodyne CCc1ccc(-n2cncc2-c2nn(C)c3ncnc(N4CC[C@@H](N(C)C)C4)c23)cc1 ZINC000144048567 HF Annotated Anodyne Cc1ccc(-c2nc(CCNC(=O)c3c(C(=O)N4CCC4)cnn3C)c(C)s2)cc1 ZINC000144097490 HF Annotated Anodyne Cc1sc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C ZINC000144099269 HF Annotated Anodyne O=S(=O)(c1ccccc1)N1CCN(c2nc3ccccc3nc2NC2CC2)CC1 ZINC000144145196 HF Annotated Anodyne CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-n2cc(CN3CC(O)C3)cn2)cc1 ZINC000144146680 HF Annotated Anodyne CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)nc2)nc2cnc(C(F)(F)F)cc21 ZINC000144182579 HF Annotated Anodyne CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN[C@H](CO)C2)cc1 ZINC000144182699 HF Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cnn(-c4ncccn4)c3C2)CCO[C@@H]1c1cc(F)ccc1F ZINC000144194570 HF Annotated Anodyne CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-n2cc(CN3CC(N)C3)cn2)cc1 ZINC000144325954 HF Annotated Anodyne O=C(Nc1ccc2c(c1)NC(=O)N(CCO)C2)N[C@@H]1CCOc2ccc(F)cc21 ZINC000144412763 HF Annotated Anodyne CCCCOC(=O)C(=O)Nc1cc(C#N)cc(NC(=O)C(=O)OCCCC)c1Cl ZINC000144421658 HF Annotated Mild CC#Cc1cncc(-c2cc(Cl)c([C@]3(C)CS(=O)(=O)N(C)C(=N)N3)s2)c1 ZINC000144605596 HF Annotated Mild CN(C)C(=O)C1CN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000144718007 HF Annotated Anodyne CN(C)C(=O)C1CN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000144718208 HF Annotated Anodyne Cc1cc(C(=O)N2CC(OCCO)C2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000144726425 HF Annotated Anodyne Cc1cc(C(=O)N2CC(OCCO)C2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000144726647 HF Annotated Anodyne C#Cc1cc(Oc2cnc(NCCN3CCOCC3)nc2N)c(C(C)C)cc1OC ZINC000144767022 HF Annotated Anodyne OCC1CCN(c2nccnc2C2CN(c3ncc4cccc(Cl)c4n3)C2)CC1 ZINC000144788463 HF Annotated Anodyne NC(=O)COc1cc(-c2cncnc2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144820179 HF Annotated Anodyne NC(=O)COc1cc(-c2cncnc2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144820369 HF Annotated Anodyne CN(CCOc1cc(Cl)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)C(=O)CO ZINC000144839709 HF Annotated Anodyne CN(CCOc1cc(Cl)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)C(=O)CO ZINC000144839928 HF Annotated Anodyne CNC(=O)COc1cc(-c2cnn(C)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144851873 HF Annotated Anodyne CNC(=O)COc1cc(-c2cnn(C)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144852078 HF Annotated Anodyne O=C1CC[C@@H](CO)N1CCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144854585 HF Annotated Anodyne O=C1CC[C@H](CO)N1CCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144854783 HF Annotated Anodyne O=C1CC[C@@H](CO)N1CCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144854986 HF Annotated Anodyne O=C1CC[C@H](CO)N1CCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144855211 HF Annotated Anodyne NC(=O)c1cc(OCCN2CCCC2=O)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000144869784 HF Annotated Anodyne NC(=O)c1cc(OCCN2CCCC2=O)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000144870007 HF Annotated Anodyne OC[C@H](O)Cn1cc(-c2cc(F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144890980 HF Annotated Anodyne OC[C@H](O)Cn1cc(-c2cc(F)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144891225 HF Annotated Anodyne Cn1cc(-c2cc(OC[C@@H](O)CO)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144893720 HF Annotated Anodyne Cn1cc(-c2cc(OC[C@H](O)CO)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144893931 HF Annotated Anodyne Cn1cc(-c2cc(OC[C@@H](O)CO)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144894119 HF Annotated Anodyne Cn1cc(-c2cc(OC[C@H](O)CO)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144894287 HF Annotated Anodyne NC(=O)CCn1cc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2cccc(CO)c2-3)cn1 ZINC000144905631 HF Annotated Anodyne NC(=O)CCn1cc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2cccc(CO)c2-3)cn1 ZINC000144905834 HF Annotated Anodyne O=C(O)Cn1cc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2cccc(CO)c2-3)cn1 ZINC000144908337 HF Annotated Anodyne O=C(O)Cn1cc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2cccc(CO)c2-3)cn1 ZINC000144908522 HF Annotated Anodyne CC(C)(C)c1ncc2c(n1)-c1sc(NC(=O)N3CCC[C@@]3(C)C(N)=O)nc1CC2 ZINC000144908532 HF Annotated Anodyne Cn1cc(-c2cc(OC(CO)CO)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144913377 HF Annotated Anodyne Cn1cc(-c2cc(OC(CO)CO)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144913595 HF Annotated Anodyne OCC(CO)c1noc(-c2cc(F)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)n1 ZINC000144936688 HF Annotated Anodyne OCC(CO)c1noc(-c2cc(F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)n1 ZINC000144936886 HF Annotated Anodyne NC(=O)[C@@H]1CCCN1C(=O)Nc1nc2c(s1)-c1nc(CC3CC3)sc1CC2 ZINC000144962878 HF Annotated Anodyne O=c1cc(N2CCOCC2)nc2n1CC[C@@H](C(F)(F)F)N2c1cc(F)cc(F)c1 ZINC000144989825 HF Annotated Anodyne in-vitro COc1cc([C@@H]2OC[C@]3(OC(C)=O)[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O ZINC000014506006 HF Annotated Anodyne in-man COc1cc([C@@H]2OC[C@@]3(OC(C)=O)[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O ZINC000014506008 HF Annotated Anodyne in-man COc1cc([C@H]2OC[C@@]3(OC(C)=O)[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O ZINC000014506011 HF Annotated Anodyne in-man Cc1cc2c(c3oc([C@@](C)(O)CC[C@H](C)O)cc(=O)c13)C(=O)c1c(O)cccc1C2=O ZINC000014517610 HF Annotated Clean COc1ccc([C@@H]2c3c(cc(OC)c(OC)c3OC)C=C(CO)[C@H]2CO)cc1OC ZINC000014585185 HF Annotated Anodyne COc1ccc(C(=O)OC[C@H]2[C@@H](O)CO[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000014585255 HF Annotated Anodyne COc1ccc2c(=O)c3c(O)cc(OC)c([C@@H](O)[C@@H]4OC4(C)C)c3n(C)c2c1OC ZINC000014587141 HF Annotated Bother in-man endogenous COc1ccc2c(=O)c3c(O)cc(OC)c([C@H](O)[C@@H]4OC4(C)C)c3n(C)c2c1OC ZINC000014587143 HF Annotated Bother in-man endogenous COc1ccc2c(=O)c3c(O)cc(OC)c([C@@H](O)[C@H]4OC4(C)C)c3n(C)c2c1OC ZINC000014587144 HF Annotated Bother in-man endogenous COc1ccc2c(=O)c3c(O)cc(OC)c([C@H](O)[C@H]4OC4(C)C)c3n(C)c2c1OC ZINC000014587146 HF Annotated Bother in-man endogenous COc1cc2c(c(CO)c1OC)C[C@H]1c3c(cc4c(c3OC)OCO4)CC[N+]1(C)C2 ZINC000014587531 HF Annotated Bother C/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3c(C)cc(O)c(O)c3OC)C(=O)C2=CO1 ZINC000014594468 HF Annotated Mild COC(=O)c1cc(OC)c(OC)cc1Oc1c(OC)ccc2c1C(=O)N(C)CC2 ZINC000014615712 HF Annotated Anodyne COc1cc(/C=C/C(=O)c2c(O)cc3c(c2OC)OCO3)c(O)c(OC)c1OC ZINC000014616554 HF Annotated Mild COc1ccc2c(c1OC)C[N+]1(C)CCc3cc4c(c(OC)c3[C@@H]1[C@H]2O)OCO4 ZINC000014637099 HF Annotated Bother CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@H]1COC(=O)[C@@H]1Cc1ccc2c(c1)OCO2 ZINC000014637224 HF Annotated Anodyne CC(=O)O[C@H](c1ccc2c(c1)OCO2)[C@H]1C(=O)OC[C@@H]1Cc1ccc2c(c1)OCO2 ZINC000014646887 HF Annotated Anodyne COC(=O)c1c(C)c(C)c(OC(=O)c2c(C)c(C=O)c(O)c(C=O)c2O)c(C)c1O ZINC000014651152 HF Annotated Anodyne O=C1NCCCN(C(=O)/C=C/c2ccccc2)CCCCN[C@H](c2ccccc2)[C@H]1O ZINC000014652490 HF Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)C=C[C@@H]2O[C@@]21COC(=O)c1ccccc1 ZINC000014658419 HF Annotated Anodyne O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1C(=O)c2ccccc2C1=O ZINC000014675581 HF Annotated Anodyne COC(=O)c1c(C)c(C)c(OC(=O)c2c(C)c(C)c(O)c(CO)c2O)c(C)c1O ZINC000014681754 HF Annotated Anodyne COc1cc2c(cc1OC)[C@@]13OC[C@@H](c4c(ccc(OC)c4OC)[C@]1(C)O)N3CC2 ZINC000014711402 HF Annotated Anodyne COC(=O)c1c(OC)cc2cc3c(c(O)c2c1C)C(=O)c1c(O)cc(O)cc1C3=O ZINC000014722055 HF Annotated Clean COc1cc(C(c2cc(OC)c3c(c2)OCO3)[C@@H]2CO[C@@H](O)[C@@H]2C)cc2c1OCO2 ZINC000014722835 HF Annotated Anodyne CC(C)CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1ccc(O)cc1)CC2 ZINC000014750061 HF Annotated Anodyne C=C(C)[C@@H]1c2cc(C(=O)OC)c(o2)C[C@@H](C(=C)C)[C@@H](O)/C=C2/C(=O)O[C@@H]1[C@@H]2N(C)C ZINC000014767548 HF Annotated Mild C=C(C)[C@@H]1c2cc(C(=O)OC)c(o2)C[C@H](C(=C)C)[C@@H](O)/C=C2/C(=O)O[C@@H]1[C@@H]2N(C)C ZINC000014767550 HF Annotated Mild COc1cc(O)c(/C=C/C(=O)NC2CCCCC2)c(OC)c1C[C@H](O)C(C)(C)O ZINC000014767827 HF Annotated Anodyne CC(=O)O[C@@H]1C[C@@]23COC(=O)C2=CC[C@H]2c4occc4C(=O)C[C@](C)([C@@H]23)[C@@]1(C)O ZINC000014768133 HF Annotated Anodyne CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@@]21CO1 ZINC000014771140 HF Annotated Anodyne in-vitro biogenic CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@@H]1C[C@@H](OC(=O)CC(C)C)[C@@]21CO1 ZINC000014771265 HF Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@]12CO2 ZINC000014771269 HF Annotated Anodyne in-man endogenous CC(=O)O[C@@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@]12CO2 ZINC000014771273 HF Annotated Anodyne in-man endogenous CC(=O)O[C@@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@]12CO2 ZINC000014771276 HF Annotated Anodyne in-man endogenous COc1c(O)cc2oc3c4ccc(O)cc4oc(=O)c3c2c1C[C@@H](O)C(C)(C)O ZINC000014819197 HF Annotated Bother COc1c(O)cc2oc3c4ccc(O)cc4oc(=O)c3c2c1C[C@H](O)C(C)(C)O ZINC000014819199 HF Annotated Bother COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cccc(OC)c5c4CC[N+]3([O-])C[C@H]2CC[C@H]1O ZINC000014827796 HF Annotated Bother CC[C@@]12CC[C@@H]3N(C(C)=O)c4c(ccc(OC)c4OC)[C@@]34CCN(CC[C@@H]1O)[C@@H]24 ZINC000014850354 HF Annotated Anodyne CC1=CC2=C(C(=O)c3c(ccc([C@H]4C[C@@H](N(C)C)[C@H](O)[C@@H](C)O4)c3O)C2=O)[C@H](C)O1 ZINC000014850596 HF Annotated Mild CSC[C@@H]1N=C(C2=C(O)C=CC2)[C@H]([C@@H](C)[C@@H]2C(=O)N(C)c3ccccc32)NC1=O ZINC000014851690 HF Annotated Anodyne CC[C@@H]1O[C@@H]2O[C@@H](/C=C\C=C\C=C\c3oc(=O)cc(OC)c3C)[C@@H](O)[C@@]2(C)[C@@]1(C)O ZINC000014857442 HF Annotated Anodyne in-man endogenous CC[C@H]1O[C@@H]2O[C@@H](/C=C\C=C\C=C\c3oc(=O)cc(OC)c3C)[C@@H](O)[C@@]2(C)[C@@]1(C)O ZINC000014857444 HF Annotated Anodyne in-man endogenous CN(C[C@@H]1COCCO1)C(=O)CC[C@@]1(Cc2cccc3ccccc23)CCC(=O)N1 ZINC000014882964 HF Annotated Anodyne CN(C[C@H]1COCCO1)C(=O)CC[C@@]1(Cc2cccc3ccccc23)CCC(=O)N1 ZINC000014882965 HF Annotated Anodyne CN(C[C@@H]1COCCO1)C(=O)CC[C@]1(Cc2cccc3ccccc23)CCC(=O)N1 ZINC000014882966 HF Annotated Anodyne CN(C[C@H]1COCCO1)C(=O)CC[C@]1(Cc2cccc3ccccc23)CCC(=O)N1 ZINC000014882967 HF Annotated Anodyne CC(C)=CC(=O)Nc1nc2c([nH]1)[C@H](C)c1[nH]/c(=N\C(=O)c3ccccc3)[nH]c1CC2 ZINC000014887736 HF Annotated Anodyne C=C[C@H](O)C#CC#C/C=C/[C@H](OC)[C@H](OCCCCC(=O)OC)[C@H](O)CCCCC ZINC000014918810 HF Annotated Anodyne in-vitro C=C[C@H](O)C#CC#C/C=C/[C@H](OC)[C@H](OCCCCC(=O)OC)[C@@H](O)CCCCC ZINC000014918812 HF Annotated Anodyne in-vitro C=C[C@H](O)C#CC#C/C=C/[C@H](OC)[C@@H](OCCCCC(=O)OC)[C@H](O)CCCCC ZINC000014918814 HF Annotated Anodyne in-vitro C=C[C@H](O)C#CC#C/C=C/[C@H](OC)[C@@H](OCCCCC(=O)OC)[C@@H](O)CCCCC ZINC000014918816 HF Annotated Mild Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2cc(Cl)ccc2C(N)=O)n1C ZINC000014944758 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3cccs3)c(N)n2)cc1 ZINC000014945656 HF Annotated Anodyne CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(N4CCCC4=O)cc3)c2C1 ZINC000014949204 HF Annotated Anodyne COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@@]3(COC(C)(C)O3)[C@@H]2CO)ccc1O ZINC000014951372 HF Annotated Anodyne COC(=O)c1c(O)cccc1OC[C@@H](O)Cc1cccc(-c2cc(C(=O)O)no2)c1 ZINC000014954234 HF Annotated Anodyne COC(=O)c1c(O)cccc1OC[C@H](O)Cc1cccc(-c2cc(C(=O)O)no2)c1 ZINC000014954238 HF Annotated Anodyne O=C(CC[C@@]1(Cc2cccs2)CCC(=O)N1)NC[C@@H]1COc2ccccc2O1 ZINC000014957291 HF Annotated Anodyne O=C(CC[C@]1(Cc2cccs2)CCC(=O)N1)NC[C@@H]1COc2ccccc2O1 ZINC000014957297 HF Annotated Anodyne O=C(CC[C@@]1(Cc2cccs2)CCC(=O)N1)NC[C@H]1COc2ccccc2O1 ZINC000014957301 HF Annotated Anodyne O=C(CC[C@]1(Cc2cccs2)CCC(=O)N1)NC[C@H]1COc2ccccc2O1 ZINC000014957305 HF Annotated Anodyne COc1ccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCCC3)C2)c(OC)c1OC ZINC000014957705 HF Annotated Anodyne COc1ccc(C(=O)N2CCC[C@H](CCC(=O)N3CCCC3)C2)c(OC)c1OC ZINC000014957709 HF Annotated Anodyne N=C1NC(=O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)o2)S1 ZINC000014963245 HF Annotated Anodyne in-vivo NCCCNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964470 HF Annotated Anodyne CCNC(=O)COc1ccccc1CNC[C@@H](O)c1cc(Br)cs1 ZINC000014966942 HF Annotated Anodyne CCNC(=O)COc1ccccc1CNC[C@H](O)c1cc(Br)cs1 ZINC000014966946 HF Annotated Anodyne O=C(N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)c1cnc2ccccn2c1=O ZINC000014975383 HF Annotated Anodyne O=C(N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)c1cnc2ccccn2c1=O ZINC000014975386 HF Annotated Anodyne COC(=O)[C@@H](NC(=O)c1cc(COc2cncc(Cl)c2)on1)c1ccccc1 ZINC000014978026 HF Annotated Anodyne CN(C)C[C@@](C)(O)c1ccc2c(c1)CN(C(=O)Cc1c(F)ccc(F)c1F)CCO2 ZINC000014988140 HF Annotated Anodyne CN(C)C[C@](C)(O)c1ccc2c(c1)CN(C(=O)Cc1c(F)ccc(F)c1F)CCO2 ZINC000014988143 HF Annotated Anodyne CCOC(=O)C1CCN(C(=O)CC[C@@]2(Cc3ccc(C)cc3)CCC(=O)N2)CC1 ZINC000014993213 HF Annotated Anodyne CCOC(=O)C1CCN(C(=O)CC[C@]2(Cc3ccc(C)cc3)CCC(=O)N2)CC1 ZINC000014993215 HF Annotated Anodyne CC(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]3C(C)=CC(=O)C3=C(C)C[C@H](OC(=O)c3ccccc3)[C@H]21 ZINC000145169424 HF Annotated Mild Cn1c(=O)[nH]c2ccc(-c3nccnc3C3CN(c4ncc5ccccc5n4)C3)cc21 ZINC000145180073 HF Annotated Anodyne O=C(N[C@H]1CCCNC1)c1ccnc2nc(-c3cc(Br)cs3)[nH]c12 ZINC000145233722 HF Annotated Anodyne C=C[C@@]1(C)C[C@@H](O)C2=C([C@H]1O)[C@H](OC(C)=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC ZINC000145249434 HF Annotated Mild COC(=O)N[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 ZINC000145262890 HF Annotated Anodyne COC(=O)N[C@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 ZINC000145263116 HF Annotated Anodyne Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(C(C)(C)CO)c2n1 ZINC000145604101 HF Annotated Anodyne CCOC(=O)N[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 ZINC000145739425 HF Annotated Anodyne CCOC(=O)N[C@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 ZINC000145739621 HF Annotated Anodyne OCC1CCN(c2nccnc2C2CN(c3ncc4cc(Cl)ccc4n3)C2)CC1 ZINC000145874134 HF Annotated Anodyne CN1CC[C@H](Oc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)C1 ZINC000146119488 HF Annotated Anodyne CN1CCC(Oc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1 ZINC000146178107 HF Annotated Anodyne CC(=O)OCCn1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1 ZINC000146282988 HF Annotated Anodyne O=C1C=CN(c2c(F)cc(N3C[C@H](CNc4ccon4)OC3=O)c(F)c2F)CC1 ZINC000146363174 HF Annotated Mild O=S(=O)(Nc1ncns1)N1CCc2c(cccc2-c2cccc3[nH]ncc23)C1 ZINC000146859242 HF Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccncn5)[nH]c4C)ccc3[nH]2)n1 ZINC000146885869 HF Annotated Anodyne Cc1cccnc1-c1cc(N2CCC(NCCS(C)(=O)=O)CC2)ncc1Cl ZINC000146911089 HF Annotated Anodyne CC(=O)Nc1ccccc1C(=O)N1CCCC[C@H]1c1cc2[nH]c(C)c(C)c(=O)n2n1 ZINC000147354243 HF Annotated Anodyne CCS(=O)(=O)NC[C@@H]1CC[C@@H](Nc2nc(-c3cc(F)cc(F)c3)no2)CC1 ZINC000147404473 HF Annotated Anodyne CC(C)(C)S(=O)(=O)NC[C@@H]1CC[C@@H](Nc2nc(-c3ccc(F)cn3)no2)CC1 ZINC000147412910 HF Annotated Anodyne O=C(Cc1nnc(Cc2nc3ccc(-c4ccccc4)cc3s2)o1)NC1COC1 ZINC000147485513 HF Annotated Anodyne N#C/C=C/S(=O)(=O)c1ccc(C2(C(=O)NC3CCCCC3)CCOCC2)cc1 ZINC000147593188 HF Annotated Reactive COCCc1ccc(-c2c(C(F)(F)F)nc3c(N4CCOCC4)nccn23)cn1 ZINC000147632899 HF Annotated Anodyne O=C(N[C@@H]1COCC[C@H]1N1CCC(O)CC1)c1ccc(C(F)(F)F)cc1C1CC1 ZINC000147660952 HF Annotated Anodyne CCS(=O)(=O)Nc1nc2ccccc2nc1Nc1cc(OC)ccc1CCO ZINC000147794054 HF Annotated Anodyne Cn1cc(-c2ccc(C3(c4nnc5n4CCS[C@@](C)(CO)C5)CC3)c(F)c2)cn1 ZINC000148302428 HF Annotated Anodyne Cc1ncnc(-c2ccc(C(=O)N3CCCO3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148577103 HF Annotated Mild Cc1nc(C)c(CNc2cc(C(=O)NCCc3ccccn3)nc3ccnn23)s1 ZINC000148586344 HF Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N(C)OC)c(OC)c2)c1C#Cc1ccc(N)nc1 ZINC000148592077 HF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCCO3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148750001 HF Annotated Mild CCc1ncnc(-c2ccc(C(=O)N(C)OC)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148823210 HF Annotated Mild Cc1ccc(C#N)c(S(=O)(=O)Nc2ccc(-c3cnc4c(N)n[nH]c4n3)cc2)c1 ZINC000148915956 HF Annotated Anodyne O=C(O)c1cc(=O)c2c3c(cc(Br)c2[nH]1)S(=O)(=O)c1ccccc1-3 ZINC000149034100 HF Annotated Anodyne O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3cccc(-c4nccs4)c3CCN12 ZINC000149063725 HF Annotated Anodyne Cc1nc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)n4)C=C32)co1 ZINC000149066575 HF Annotated Anodyne COCCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4nccs4)C3=C2)cn1 ZINC000149072838 HF Annotated Anodyne COCCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cscn4)C3=C2)cn1 ZINC000149083146 HF Annotated Anodyne O=C1CN=C(n2cnc(C3CCC3)c2)C=C2c3cccc(N4CCOCC4)c3CCN12 ZINC000149095293 HF Annotated Anodyne COCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cscn4)C3=C2)cn1 ZINC000149170552 HF Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(CC(=O)c3ccccn3)n[nH]c2C1(C)C ZINC000149176334 HF Annotated Anodyne Cc1ncn(C2=NCC(=O)N3CCc4c(ccc(F)c4-c4cccnc4F)C3=C2)n1 ZINC000149191777 HF Annotated Anodyne CCc1ncnc(N2CCC(O)(Cc3ccccc3)CC2)c1C#Cc1ccc(N)nc1 ZINC000149211900 HF Annotated Mild Cc1ncn(C2=NCC(=O)N3CCc4c(ccc(F)c4-c4ccc(F)nc4)C3=C2)n1 ZINC000149232614 HF Annotated Anodyne CCc1ncnc(N2CCC3(CCN(C(C)=O)CC3)CC2)c1C#Cc1ccc(N)nc1 ZINC000149260294 HF Annotated Mild CCc1ncnc(N2CCc3cc(OC)c(OC)cc3C2)c1C#Cc1ccc(N)nc1 ZINC000149262891 HF Annotated Mild CCc1ncn(C2=NCC(=O)N3CCc4c(cccc4-c4ccc(F)nc4)C3=C2)n1 ZINC000149264866 HF Annotated Anodyne Cn1c(O[C@@H]2C[C@@H]3CC[C@H](C2)N3c2ccc(F)cc2)nc(-c2ccncn2)cc1=O ZINC000149418824 HF Annotated Anodyne CCOC(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000149536806 HF Annotated Anodyne C[C@H]1C[C@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(CC(C)(C)F)C3=O)C[C@@H](C)[C@@H]1O ZINC000149621387 HF Annotated Anodyne CC[C@@H]1C[C@]2(CC[C@H]1O)Cc1ccc(C#N)cc1[C@]21N=C(N)N(CC(C)(C)F)C1=O ZINC000149628619 HF Annotated Anodyne Cc1nc(/C=C/c2c(-c3ccccn3)nnn2C)sc1C(=O)NC1CCOCC1 ZINC000149701466 HF Annotated Anodyne N#Cc1ccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)c(F)c3)cn2)c(F)c1 ZINC000149868058 HF Annotated Anodyne O=C(Cc1nnc(Cc2nc3ccc(-c4ccccc4)cc3s2)o1)N1CC(O)C1 ZINC000149873492 HF Annotated Anodyne N#Cc1ccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3F)cn2)c(F)c1 ZINC000149915826 HF Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)n2c3cc(O)c(O)cc3c3ccc(O)c(O)c32)cc1 ZINC000001535032 HF Annotated Clean C=CCOC(=O)N[C@@H](CC(=O)O)C(=O)COc1cc2ccccc2cc1-c1ncc[nH]1 ZINC000001541609 HF Annotated Mild C[C@](O)(C(=O)Nc1cccc2c1C(=O)c1sccc1CS2(=O)=O)C(F)(F)F ZINC000001546374 HF Annotated Anodyne COc1cc2c[n+](C)c3c(c2cc1OC)Cc1cc(OS(C)(=O)=O)c(OC)cc1-3 ZINC000001583582 HF Annotated Anodyne COc1ccc2c(c1OC)C(=O)O/C2=C\c1c(CCN(C)C)cc2c(c1O)OCO2 ZINC000001591396 HF Annotated Anodyne O=C1C(=O)[C@@]2(CS[C@@]3(CS2)C(=O)C(=O)[C@H]3c2ccccc2)[C@H]1c1ccccc1 ZINC000001591581 HF Annotated Clean COc1ccc2c(c1)C=C([N+](=O)[O-])[C@H]([C@@H]1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1)O2 ZINC000001613606 HF Annotated Anodyne COC1(OC)C[C@H]2C=C(S(=O)(=O)c3ccccc3)[C@@H]1N(Cc1ccccc1)C2=O ZINC000001620115 HF Annotated Anodyne COC1(OC)C[C@@H]2C=C(S(=O)(=O)c3ccccc3)[C@H]1N(Cc1ccccc1)C2=O ZINC000001620116 HF Annotated Anodyne OC[C@@H](O)[C@@H](O)c1nn(-c2ccccc2)c2nc3cc(Cl)c(Cl)cc3nc12 ZINC000001622946 HF Annotated Anodyne OC[C@@H](O)[C@H](O)c1nn(-c2ccccc2)c2nc3cc(Cl)c(Cl)cc3nc12 ZINC000001622947 HF Annotated Anodyne OC[C@H](O)[C@@H](O)c1nn(-c2ccccc2)c2nc3cc(Cl)c(Cl)cc3nc12 ZINC000001622948 HF Annotated Anodyne OC[C@H](O)[C@H](O)c1nn(-c2ccccc2)c2nc3cc(Cl)c(Cl)cc3nc12 ZINC000001622949 HF Annotated Anodyne O=c1c2cc(Br)cc(Br)c2nc(CCCl)n1CCO ZINC000001626376 HF Annotated Reactive CCOC(=O)[C@]1(Br)[C@@H](c2ccccc2)NC(=O)N[C@]1(C)Br ZINC000001628996 HF Annotated Anodyne COC(=O)/C=C/c1cc2c(cc1-c1c(C(=O)O)cc(OC)c(OC)c1OC)OCO2 ZINC000001630493 HF Annotated Anodyne O=C1[C@H](Cl)[C@H](c2cc(Br)ccc2O)N1n1cnc2ccccc2c1=O ZINC000001632108 HF Annotated Reactive O=C1[C@H](Cl)[C@@H](c2cc(Br)ccc2O)N1n1cnc2ccccc2c1=O ZINC000001632109 HF Annotated Reactive COc1ccc(/C=N/NC(=O)C2=C(N)N(c3ccccc3)C(=C(C#N)C#N)S2)cc1 ZINC000001633232 HF Annotated Reactive Cc1ccc(S(=O)(=O)c2c(N)n(CCN(C)C)c3nc4ccccc4nc23)cc1 ZINC000001634459 HF Annotated Anodyne COc1cc(COC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O)c([N+](=O)[O-])cc1OC ZINC000001634805 HF Annotated Bother COc1cc(COC(=O)N[C@H](Cc2cccs2)C(=O)O)c([N+](=O)[O-])cc1OC ZINC000001634807 HF Annotated Bother O=C1C=C2S[C@@H]3C[C@@]2(C=C1Br)C1=C(N3)C(=O)c2[nH]cc3c2C1=NCC3 ZINC000001635058 HF Annotated Mild O=C1C=C2S[C@H]3C[C@]2(C=C1Br)C1=C(N3)C(=O)c2[nH]cc3c2C1=NCC3 ZINC000001635059 HF Annotated Mild O=C1c2c(Br)sc(Br)c2[C@@H](NC(=O)C(F)(F)F)[C@H]1O ZINC000001638263 HF Annotated Anodyne O=C1c2c(Br)sc(Br)c2[C@H](NC(=O)C(F)(F)F)[C@H]1O ZINC000001638264 HF Annotated Anodyne O=C1c2c(Br)sc(Br)c2[C@H](NC(=O)C(F)(F)F)[C@@H]1O ZINC000001638265 HF Annotated Anodyne O=c1cc(CN2CCCCC2)nc2ccc3c(O)cc(CN4CCCCC4)nc3n12 ZINC000001651026 HF Annotated Bother CCCC(=O)Nc1cc(C(=O)N2C[C@@H]3C[C@]34C2=CC(=O)c2[nH]cc(C)c24)n(COC)c1 ZINC000001651801 HF Annotated Mild CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C2=N[C@@H](CCC(=O)O)C(=O)O2)cc1 ZINC000001652515 HF Annotated Clean CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C2=N[C@H](CCC(=O)O)C(=O)O2)cc1 ZINC000001652517 HF Annotated Clean CCOC(=O)c1cc([C@@]2(O)CCN(Cc3ccccc3)C2=O)c(-c2cc(C)no2)[nH]1 ZINC000001654363 HF Annotated Anodyne O=C1NC[C@H](NC(=O)C(F)(F)F)c2c(Br)sc(Br)c21 ZINC000001655012 HF Annotated Anodyne COC(=O)[C@@]1(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)C[C@@H]2C=C[C@H]1NC2 ZINC000001655843 HF Annotated Anodyne CCCCn1c(C)c2c(c1C)C(=O)N(C[C@H](O)CN1CCc3ccccc3C1)C2=O ZINC000001659202 HF Annotated Anodyne O=C(CSc1nnc(-c2ccccn2)s1)N/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000001660892 HF Annotated Reactive CCCCN1CN2C(=O)[C@@H](C(=O)OCC)C(=O)c3sc4nc(SC)nc1c4c32 ZINC000001661592 HF Annotated Anodyne COc1cc([C@H]2[C@@H](Cl)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O ZINC000001662660 HF Annotated Reactive COc1cc([C@H]2[C@H](Cl)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O ZINC000001662661 HF Annotated Reactive COc1cc([C@@H]2[C@@H](Cl)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O ZINC000001662662 HF Annotated Reactive COc1cc([C@@H]2[C@H](Cl)C(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O ZINC000001662663 HF Annotated Reactive CC1(Cc2cc3c(cc2C2(c4ccc([N+](=O)[O-])cc4)OCCO2)OCO3)OCCO1 ZINC000001663111 HF Annotated Bother C=CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCCOC)[C@H]2c2ccncc2)cc1 ZINC000001784988 HF Annotated Mild COc1cc(/C=N/n2c(Cc3ccc(Cl)cc3)n[nH]c2=O)cc(OC)c1OC ZINC000001860351 HF Annotated Mild O=S(=O)(Cc1ccccc1)c1nnc(S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000001861239 HF Annotated Anodyne COC(=O)CCC1=C(CC(=O)OC)[C@@](C)(OC)N/C1=N/C(=O)OCc1ccccc1 ZINC000001862781 HF Annotated Mild C[C@H](Oc1ccccc1Cl)C(=O)NN1C(=O)CC(=O)N(c2ccccc2)C1=S ZINC000001863326 HF Annotated Anodyne Cc1ccc(N2C(=O)CC(=O)N(NC(=O)[C@H](C)Oc3ccccc3C)C2=S)cc1 ZINC000001863332 HF Annotated Anodyne CN1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4F)n3)c2C2CC2)CC1 ZINC000015001747 HF Annotated Anodyne CC(C)c1nc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(F)c2F)cs1 ZINC000015063875 HF Annotated Anodyne CC(C)c1nc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(F)c2F)cs1 ZINC000015063876 HF Annotated Anodyne CCS(=O)(=O)c1ncc(CN(C)CCc2cn[nH]c2)n1CCCc1ccccc1 ZINC000015065914 HF Annotated Anodyne CC1CCN(Cc2nnnn2CCCC(=O)N2CCc3c(Cl)cccc3C2)CC1 ZINC000015067273 HF Annotated Anodyne CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(C(=O)CN2CCCCC2=O)C1 ZINC000015069265 HF Annotated Anodyne CCOC(=O)[C@]1(CCOc2ccccc2)CCCN(C(=O)CN2CCCCC2=O)C1 ZINC000015069267 HF Annotated Anodyne O=C(Nc1ccnn1C1CCN(C(=O)c2cnsn2)CC1)c1cccc(F)c1 ZINC000015075180 HF Annotated Anodyne CCCc1cc(O)cc(O)c1C(=O)c1c(O)cc(O)cc1Cc1cc(O)cc(=O)o1 ZINC000015115383 HF Annotated Anodyne CC(=O)O[C@]12CC=C(C)[C@H](O)C[C@@]13CC[C@@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O ZINC000015117000 HF Annotated Anodyne in-vitro biogenic CC(=O)O[C@]12CC=C(C)C(=O)C[C@@]13CC[C@@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O ZINC000015117008 HF Annotated Mild in-vitro biogenic CC(=O)OC[C@H](C)c1c(O)c(O)c2c(c1O)C(=O)c1oc(=O)c(C)c3c1[C@]2(C)CC3 ZINC000015149447 HF Annotated Clean in-man CC(=O)OC[C@@H](C)c1c(O)c(O)c2c(c1O)C(=O)c1oc(=O)c(C)c3c1[C@]2(C)CC3 ZINC000015149449 HF Annotated Clean in-man CC(=O)OC[C@H](C)c1c(O)c(O)c2c(c1O)C(=O)c1oc(=O)c(C)c3c1[C@@]2(C)CC3 ZINC000015149451 HF Annotated Clean in-man CC(=O)OC[C@@H](C)c1c(O)c(O)c2c(c1O)C(=O)c1oc(=O)c(C)c3c1[C@@]2(C)CC3 ZINC000015149453 HF Annotated Clean in-man CC(=O)O[C@@]1(C)C(=O)[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]1(O)CCc1ccoc1 ZINC000015159148 HF Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@H]2CO)cc(OC)c1OC ZINC000015161131 HF Annotated Anodyne in-vitro biogenic CC[C@@H](O)C[C@@H]1CC[C@@H]([C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H]([C@@H](C)C(=O)O)O2)O1 ZINC000015214812 HF Annotated Anodyne CC[C@H](O)C[C@@H]1CC[C@@H]([C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H]([C@@H](C)C(=O)O)O2)O1 ZINC000015214814 HF Annotated Anodyne CC[C@@H](O)C[C@H]1CC[C@@H]([C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H]([C@@H](C)C(=O)O)O2)O1 ZINC000015214816 HF Annotated Anodyne CC[C@H](O)C[C@H]1CC[C@@H]([C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H]([C@@H](C)C(=O)O)O2)O1 ZINC000015214818 HF Annotated Anodyne COC/C=C1/CN2[C@H]3C[C@@]45C(=Nc6c(OC)cc(OC)c(OC)c64)OC[C@H]3[C@H]1C[C@H]25 ZINC000015252302 HF Annotated Anodyne CCc1oc(=O)c(Cc2c(OC(C)=O)c(C)c(CC)oc2=O)c(OC(C)=O)c1C ZINC000015268747 HF Annotated Anodyne CC(=O)OCC(=O)n1c2c(c3ccccc31)CCN1C[C@H]3[C@@H](C)OC=C2[C@@H]3CC1=O ZINC000015269096 HF Annotated Anodyne CC(=O)OCC(=O)n1c2c(c3ccccc31)CCN1C[C@@H]3[C@H](CC1=O)C2=CO[C@@H]3C ZINC000015269102 HF Annotated Anodyne COc1cc(C[C@H]2COC[C@@H]2[C@@H](O)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O ZINC000015271132 HF Annotated Anodyne in-vitro biogenic COc1cc(-c2oc3cc4c(c(OC)c3c(=O)c2OC)OCO4)cc2c1OCO2 ZINC000015271650 HF Annotated Anodyne COc1c(-c2ccc3c(c2)OCO3)oc2c(OC)c3c(c(OC)c2c1=O)OCO3 ZINC000015271817 HF Annotated Anodyne COc1cc(-c2coc3cc(O)c(OC)c(O)c3c2=O)c(OC)c(OC)c1OC ZINC000015271870 HF Annotated Anodyne CN1C(=O)[C@@H](C(=O)Nc2ccc(F)cc2F)c2cc(Cl)ccc2S1(=O)=O ZINC000150206574 HF Annotated Anodyne CN1C(=O)[C@H](C(=O)Nc2ccc(F)cc2F)c2cc(Cl)ccc2S1(=O)=O ZINC000150206765 HF Annotated Anodyne O=C(c1cc2ncc(Br)cn2n1)N1CCc2ccc(Cl)nc2CC1 ZINC000150209518 HF Annotated Anodyne CCc1nc2c(s1)CCN(C(=O)c1cc3ncc(Br)cn3n1)CC2 ZINC000150279784 HF Annotated Anodyne COc1ccc2c(c1)O[C@]13CCN(C)C[C@H]1[C@@H]2[C@@H](C(=O)c1ccc(F)cc1)C(=O)N3 ZINC000150338620 HF Annotated Anodyne COc1ccc2c(c1)O[C@]13CCN(C)C[C@@H]1[C@@H]2[C@@H](C(=O)c1ccc(F)cc1)C(=O)N3 ZINC000150338621 HF Annotated Anodyne CN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CCSCC5)c1c4n23 ZINC000150560968 HF Annotated Anodyne CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2oc4ccccc4n23)CC1 ZINC000150572131 HF Annotated Bother COc1c(C)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c(O)c1C(C)=O ZINC000154387145 HF Annotated Mild Cc1ccc(N(C)C(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1 ZINC000015677746 HF Annotated Anodyne Cc1cc(C)cc(-n2ccn3c(CCC(=O)NCc4ccccc4)nnc3c2=O)c1 ZINC000015736330 HF Annotated Anodyne COc1ccc(-n2ccn3c(CCC(=O)Nc4ccc(F)cc4)nnc3c2=O)cc1 ZINC000015736387 HF Annotated Anodyne O=C(COc1ccccc1F)Nc1ccc(OCc2cc(O)n3ncnc3n2)cc1 ZINC000015785799 HF Annotated Anodyne O=C1C=CC([N+](=O)[O-])=C/C1=C\NNC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000015880058 HF Annotated Reactive COc1ccc(N2Cc3ccc(C(=O)NN/C=C4\C=CC(=O)C=C4O)cc3C2)cc1 ZINC000015885162 HF Annotated Reactive Nc1c(Cl)cc(-c2[nH]c3cc(C(=O)NCCO)ccc3c(=O)c2O)cc1Cl ZINC000015933854 HF Annotated Anodyne COc1ccc2c(c1)cc(C(=O)NN/C=C1\C(=O)C(C(=O)O)=Cc3ccccc31)n2C ZINC000015935185 HF Annotated Reactive Cc1nn(-c2ccccc2)c2c1c(C)c(CCC(=O)NC[C@@H]1CCCO1)c(=O)n2C ZINC000015935211 HF Annotated Anodyne Cc1nn(-c2ccccc2)c2c1c(C)c(CCC(=O)NC[C@H]1CCCO1)c(=O)n2C ZINC000015935212 HF Annotated Anodyne Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NC[C@@H]4CCCO4)c(=O)n(C)c32)cc1 ZINC000015936566 HF Annotated Anodyne Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NC[C@H]4CCCO4)c(=O)n(C)c32)cc1 ZINC000015936567 HF Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3ccccc3)C(=O)[C@@]21C ZINC000015936632 HF Annotated Anodyne CCn1c(=O)c(CCC(=O)N2CCOCC2)c(C)c2c(C)nn(-c3ccccc3)c21 ZINC000015942472 HF Annotated Anodyne CC[C@@H]1CCCCN1CCCNC(=O)Cn1[nH]cc2c3cc(C)ccc3nc-2c1=O ZINC000015942870 HF Annotated Anodyne CC[C@H]1CCCCN1CCCNC(=O)Cn1[nH]cc2c3cc(C)ccc3nc-2c1=O ZINC000015942872 HF Annotated Anodyne Cc1ccc2nc3c(=O)n(CC(=O)NCCCN(C)Cc4ccccc4)[nH]cc-3c2c1 ZINC000015942874 HF Annotated Anodyne CCN(CCCNC(=O)Cn1[nH]cc2c3ccccc3nc-2c1=O)Cc1ccccc1 ZINC000015943238 HF Annotated Anodyne CC[C@@H](C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1)n1ncn2c(cc3occc32)c1=O ZINC000015943740 HF Annotated Anodyne Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1 ZINC000015943924 HF Annotated Anodyne Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1 ZINC000015943927 HF Annotated Anodyne CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCC(C)CC1)C(=O)OC(C)(C)C ZINC000015952263 HF Annotated Anodyne COc1ccc([C@H]2C3=C(NN/C3=C3\C=CC=CC3=O)C(=O)N2Cc2ccco2)cc1 ZINC000015952312 HF Annotated Mild COc1ccc([C@@H]2C3=C(NN/C3=C3\C=CC=CC3=O)C(=O)N2Cc2ccco2)cc1 ZINC000015952313 HF Annotated Mild CC1=C[C@@H]2/C=C(\C)CC[C@@H](O)[C@@H](O)/C=C\C(=O)[C@@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000015953000 HF Annotated Mild CC1=C[C@@H]2/C=C(/C)CC[C@@H](O)[C@@H](O)/C=C\C(=O)[C@@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000015953001 HF Annotated Mild CC1=C[C@@H]2/C=C(/C)CC[C@@H](O)[C@@H](O)/C=C/C(=O)[C@@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000015953002 HF Annotated Mild Nc1c(C=C2C=C(Cl)C(=O)C(Cl)=C2)c(=O)nc2sc(N3CCCCC3)nn12 ZINC000015953260 HF Annotated Mild O=C1C=C/C(=C/NNC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)C=C1[N+](=O)[O-] ZINC000015961641 HF Annotated Reactive O=C1C=C/C(=C/NNC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)C=C1[N+](=O)[O-] ZINC000015961643 HF Annotated Reactive Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)n1 ZINC000015962771 HF Annotated Anodyne CCOC(=O)c1c(NC(=O)C2=CC(=C3C=CC(=O)C=C3)ON2)sc(C(C)=O)c1C ZINC000015973835 HF Annotated Mild COC1=C/C(=C/NN2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)C=CC1=O ZINC000015973945 HF Annotated Mild COC1=C/C(=C/NN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)C=CC1=O ZINC000015973946 HF Annotated Mild COC1=C/C(=C/NN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)C=CC1=O ZINC000015973947 HF Annotated Mild CCCCSc1nc(C)cc(SCC(=O)NN/C=C2\C=CC=C(OC)C2=O)n1 ZINC000015974443 HF Annotated Reactive COc1ccc(Br)cc1C=NNC(=O)CNC(=O)/C=C/c1ccccc1 ZINC000015979754 HF Annotated Anodyne aggregator Cc1[nH]n(-c2ccccc2)c(=O)c1/C=C1/C(=O)NN(c2ccc(F)c(Cl)c2)C1=O ZINC000015987958 HF Annotated Clean aggregator COc1ccc(/C=N/NS(=O)(=O)c2ccc(F)cc2)cc1CN1CCSCC1 ZINC000015994288 HF Annotated Mild COc1c(C)c(O)c(C(C)=O)c(O)c1CC1=C(O)C(C)(C)C(O)=C(C(C)=O)C1=O ZINC000155206897 HF Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\COC(=O)C(C)C)CC/C=C(\COC(=O)C(C)C)[C@@H](O)C[C@@H]12 ZINC000156902275 HF Annotated Mild biogenic COc1ccc2c(c1)C=C([N+](=O)[O-])[C@H]([C@H]1OC(C)(C)O[C@@H]1[C@@H]1COC(C)(C)O1)O2 ZINC000016952757 HF Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)/N=[IH2]\c2ccccc2)cc1 ZINC000016958831 HF Annotated Anodyne CO[C@@H](C)CC1=C(O)C2=C[C@@H](O)[C@H]3[C@@](C)(COC=O)CCC[C@]3(C)C2=C(O)C1=O ZINC000165251321 HF Annotated Mild CC(=O)OC[C@@]12[C@@H](O)C[C@@H](C)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@H]1CCC[C@]21CO1 ZINC000165519195 HF Annotated Anodyne N#CCc1ccc(-n2cc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c34)nn2)cc1 ZINC000165612184 HF Annotated Anodyne O=c1[nH]c2ccc(O)c(-c3ccc(S(=O)(=O)NCCCl)cc3)c2c2c1CCC2 ZINC000165799963 HF Annotated Unstable O=C(O)CNC(=O)c1c(=O)oc(O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc12 ZINC000165953786 HF Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)[C@]1(C)CC[C@@H](O1)[C@@](C)(OC)CCC[C@H](C)[C@H]2OC(C)=O ZINC000166237836 HF Annotated Mild Cc1cnc(-c2ccnc(N3CCN(C(=O)CN4C[C@H](C)O[C@H](C)C4)CC3)c2)c(C)c1 ZINC000166329774 HF Annotated Anodyne C=C1CC[C@H]2O[C@@]2(C)CC[C@H](/C(=C\C[C@H](O)C(C)(C)O)COC(C)=O)[C@H]1C(=O)OC ZINC000166775260 HF Annotated Mild C=CCN(C)CC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)C1=CC([N+](=O)[O-])=CCC1 ZINC000166982749 HF Annotated Mild C=CCN(C)CC[C@H](Nc1ncnc2c(C(N)=O)cccc12)C1=CC([N+](=O)[O-])=CCC1 ZINC000166982869 HF Annotated Mild Cn1nnnc1/C(=N\OCc1cccc(NC(=O)OC(C)(C)C)n1)c1ccccc1 ZINC000167697592 HF Annotated Mild in-vitro Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCn3cnnc3C2)cn1 ZINC000168739379 HF Annotated Anodyne C[C@H]1C[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)CN(C2(CC#N)COC2)C1 ZINC000169218362 HF Annotated Mild CC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccccc1F ZINC000169290011 HF Annotated Anodyne CC1(C)[C@H]2CC[C@@](C)(C2)[C@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccccc1F ZINC000169290012 HF Annotated Anodyne Cc1ccc(C)n1-c1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 ZINC000169290280 HF Annotated Clean Cc1ccc(C)n1-c1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 ZINC000169290281 HF Annotated Clean Cc1ccc(C)n1-c1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc1 ZINC000169290282 HF Annotated Clean Cc1ccc(C)n1-c1ccc(C(=O)NN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 ZINC000169290283 HF Annotated Clean C=C(C(=O)OC)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O2)[C@@H](OC(C)=O)C/C=C(/C)[C@H](O)C1 ZINC000169290407 HF Annotated Mild O[C@@]12[C@@H](Br)[C@@H]3[C@H]4C[C@@H]5[C@H]3[C@H]1[C@@](O)(c1c(F)c(F)c(F)c(F)c1F)[C@H]5[C@H]42 ZINC000169290635 HF Annotated Reactive O[C@]1(c2c(F)c(F)c(F)c(F)c2F)[C@@H]2[C@@H]3[C@@H]4C[C@@H]2[C@H]2[C@@H]1[C@@]3(O)[C@@H](Br)[C@H]42 ZINC000169290636 HF Annotated Reactive O[C@@]12[C@@H](Br)[C@@H]3[C@H]4C[C@H]5[C@H]3[C@H]1[C@@](O)(c1c(F)c(F)c(F)c(F)c1F)[C@H]5[C@H]42 ZINC000169290638 HF Annotated Reactive O[C@]1(c2c(F)c(F)c(F)c(F)c2F)[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(O)[C@@H](Br)[C@H]4[C@@H]3[C@@H]12 ZINC000169290639 HF Annotated Reactive COc1cccc2c1O[C@@H]1C=C(OC[C@@]3(C)CO3)C=C(OC[C@@]3(C)CO3)[C@@H]1C2=O ZINC000169292621 HF Annotated Anodyne COc1cccc2c1O[C@H]1C=C(OC[C@@]3(C)CO3)C=C(OC[C@@]3(C)CO3)[C@@H]1C2=O ZINC000169292623 HF Annotated Anodyne COc1cccc2c1O[C@@H]1C=C(OC[C@]3(C)CO3)C=C(OC[C@@]3(C)CO3)[C@@H]1C2=O ZINC000169292624 HF Annotated Anodyne COc1cccc2c1O[C@H]1C=C(OC[C@]3(C)CO3)C=C(OC[C@@]3(C)CO3)[C@@H]1C2=O ZINC000169292626 HF Annotated Anodyne CO[C@@H]1CC[C@]2(C)OC(=O)[C@H](C)[C@H]3CC[C@@](C)(OC(C)=O)[C@@H]4[C@H]3[C@@H]2O[C@@H]4C[C@@]1(C)O ZINC000169292948 HF Annotated Anodyne CO[C@@H]1CC[C@]2(C)OC(=O)[C@H](C)[C@@H]3CC[C@@](C)(OC(C)=O)[C@@H]4[C@H]3[C@@H]2O[C@@H]4C[C@@]1(C)O ZINC000169292949 HF Annotated Anodyne C[C@@H](O)C[C@@H]1C/C=C\C=C/C=C\[C@@H](O)C[C@@H](O)C[C@@H](O)C/C=C\C=C/C=C\C(=O)O1 ZINC000169293450 HF Annotated Anodyne C[C@@H](O)C[C@@H]1C/C=C/C=C\C=C/[C@@H](O)C[C@@H](O)C[C@@H](O)C/C=C\C=C/C=C\C(=O)O1 ZINC000169293451 HF Annotated Anodyne C[C@@H](O)C[C@@H]1C/C=C\C=C\C=C/[C@@H](O)C[C@@H](O)C[C@@H](O)C/C=C\C=C/C=C\C(=O)O1 ZINC000169293452 HF Annotated Anodyne C[C@@H](O)C[C@@H]1C/C=C/C=C/C=C\[C@@H](O)C[C@@H](O)C[C@@H](O)C/C=C\C=C/C=C\C(=O)O1 ZINC000169293453 HF Annotated Anodyne CCOC(=O)[C@@]1(Cc2ccccc2)N[C@@H](c2ccccc2F)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169293583 HF Annotated Anodyne CCOC(=O)[C@]1(Cc2ccccc2)N[C@@H](c2ccccc2F)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169293584 HF Annotated Anodyne C[C@@H](O)C[C@@H]1C[C@@H](O)/C=C\C=C/C=C\C[C@@H](O)C[C@@H](O)C/C=C\C=C/C=C\C(=O)O1 ZINC000169293903 HF Annotated Anodyne C[C@@H](O)C[C@@H]1C[C@@H](O)/C=C/C=C\C=C/C[C@@H](O)C[C@@H](O)C/C=C\C=C/C=C\C(=O)O1 ZINC000169293904 HF Annotated Anodyne C[C@@H](O)C[C@@H]1C[C@@H](O)/C=C\C=C\C=C/C[C@@H](O)C[C@@H](O)C/C=C\C=C/C=C\C(=O)O1 ZINC000169293905 HF Annotated Anodyne C[C@@H](O)C[C@@H]1C[C@@H](O)/C=C/C=C/C=C\C[C@@H](O)C[C@@H](O)C/C=C\C=C/C=C\C(=O)O1 ZINC000169293906 HF Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)Oc1ccc(Br)cc1 ZINC000169294014 HF Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Oc1ccc(Br)cc1 ZINC000169294015 HF Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)Oc1ccc(Br)cc1 ZINC000169294016 HF Annotated Anodyne O=C(CCN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Oc1ccc(Br)cc1 ZINC000169294017 HF Annotated Anodyne COC1(OC)N=C(NC(=O)Nc2ccccc2)[C@]2(C#N)[C@H](c3ccccc3)[C@]12C#N ZINC000169294077 HF Annotated Mild CC1(C)C[C@@H]2[C@@H]1CC[C@@]1(O)C[C@@]2(C)CC[C@@H]1N(O)c1ccc(C(=O)NCCO)cn1 ZINC000169295812 HF Annotated Anodyne CC1(C)C[C@H]2[C@@H]1CC[C@@]1(O)C[C@@]2(C)CC[C@@H]1N(O)c1ccc(C(=O)NCCO)cn1 ZINC000169295814 HF Annotated Anodyne CC1(C)C[C@@H]2[C@H]1CC[C@@]1(O)C[C@@]2(C)CC[C@@H]1N(O)c1ccc(C(=O)NCCO)cn1 ZINC000169295816 HF Annotated Anodyne CC1(C)C[C@H]2[C@H]1CC[C@@]1(O)C[C@@]2(C)CC[C@@H]1N(O)c1ccc(C(=O)NCCO)cn1 ZINC000169295817 HF Annotated Anodyne C=CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OCC=C)[C@@H]1c1ccc(OCC)cc1 ZINC000169296183 HF Annotated Mild C=CCOC(=O)[C@H]1[C@H](c2ccc(OCC)cc2)[C@@H](C(=O)OCC=C)C(=O)C[C@@]1(C)O ZINC000169296184 HF Annotated Mild C=CCOC(=O)[C@H]1[C@H](c2ccc(OCC)cc2)[C@@H](C(=O)OCC=C)C(=O)C[C@]1(C)O ZINC000169296186 HF Annotated Mild COc1ccc2c(c1)O[C@@]13CCN(C)C[C@@H]1[C@@H]2[C@@H](C(=O)c1ccc(F)cc1)C(=O)N3 ZINC000169296766 HF Annotated Anodyne CC(C)COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OCC(C)C)[C@@H]1c1cccnc1 ZINC000169296838 HF Annotated Anodyne CC(C)COC(=O)[C@H]1[C@H](c2cccnc2)[C@@H](C(=O)OCC(C)C)C(=O)C[C@@]1(C)O ZINC000169296839 HF Annotated Anodyne C=C(C)[C@@H](O)CC1=c2occ(-c3ccc(O)cc3)c(=O)c2=C(O)[C@@H]2C=CC(C)(C)O[C@@H]12 ZINC000169297095 HF Annotated Mild C=C(C)[C@H](O)CC1=c2occ(-c3ccc(O)cc3)c(=O)c2=C(O)[C@@H]2C=CC(C)(C)O[C@@H]12 ZINC000169297096 HF Annotated Mild C=C(C)[C@@H](O)CC1=c2occ(-c3ccc(O)cc3)c(=O)c2=C(O)[C@H]2C=CC(C)(C)O[C@@H]12 ZINC000169297097 HF Annotated Mild C=C(C)[C@H](O)CC1=c2occ(-c3ccc(O)cc3)c(=O)c2=C(O)[C@H]2C=CC(C)(C)O[C@@H]12 ZINC000169297098 HF Annotated Mild CC(=O)N(C)[C@@H]1CCN(C(=O)Nc2ccc(N3CC[C@@H](N4CCC[C@@H]4C)C3)cc2)C1 ZINC000169299907 HF Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 ZINC000169301344 HF Annotated Anodyne CCOC(=O)[C@]1(C)N[C@@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 ZINC000169301346 HF Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 ZINC000169301348 HF Annotated Anodyne Cc1ccnc(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)c1 ZINC000169301609 HF Annotated Reactive Cc1ccnc(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 ZINC000169301610 HF Annotated Reactive COC(=O)C1=C[C@@H]2C3=C(N4CCCN(C)CC4)c4ccccc4N(C)C3=N[C@@H]2C=C1 ZINC000169301615 HF Annotated Anodyne COC(=O)C1=C[C@H]2C3=C(N4CCCN(C)CC4)c4ccccc4N(C)C3=N[C@@H]2C=C1 ZINC000169301616 HF Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@@H]1c1cccnc1 ZINC000169301642 HF Annotated Anodyne CC(C)(C)OC(=O)[C@H]1[C@H](c2cccnc2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@@]1(C)O ZINC000169301643 HF Annotated Anodyne CC(C)(C)OC(=O)[C@H]1[C@H](c2cccnc2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@]1(C)O ZINC000169301645 HF Annotated Anodyne N#CC1=CC[C@H]([C@H]2[C@@H]3[C@@H](C(=O)N(Cc4ccc(F)cc4)[C@@H]3O)[C@@H]3[C@@H](F)CCN23)C=C1 ZINC000169301701 HF Annotated Reactive N#CC1=CC[C@H]([C@H]2[C@H]3[C@H](O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3[C@@H](F)CCN23)C=C1 ZINC000169301702 HF Annotated Reactive N#CC1=CC[C@H]([C@H]2[C@@H]3[C@@H](C(=O)N(Cc4ccc(F)cc4)[C@@H]3O)[C@@H]3[C@H](F)CCN23)C=C1 ZINC000169301703 HF Annotated Reactive N#CC1=CC[C@H]([C@H]2[C@H]3[C@H](O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3[C@H](F)CCN23)C=C1 ZINC000169301704 HF Annotated Reactive CCCC[C@@]1(C(=O)OC)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169302082 HF Annotated Anodyne CCCC[C@]1(C(=O)OC)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169302083 HF Annotated Anodyne CCCC[C@@]1(C(=O)OC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169302084 HF Annotated Anodyne O=C(CCc1ccccc1)N1Cc2cc(N3CCOCC3)ccc2-n2nncc2C1 ZINC000169302955 HF Annotated Clean COC(=O)[C@@H]1N=C(c2ccc(OC)cc2)O[C@]12C(=O)N(C)c1cccc(Cl)c12 ZINC000169303178 HF Annotated Anodyne CN1OC[C@@H]2CN(S(=O)(=O)c3ccccc3)[C@H](c3ccc(-n4ccnc4)cc3)C[C@@H]21 ZINC000169304339 HF Annotated Anodyne C[C@@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000169305402 HF Annotated Anodyne C[C@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000169305403 HF Annotated Anodyne CC(C)COC(=O)NC[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000169305598 HF Annotated Anodyne CC(C)COC(=O)NC[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000169305600 HF Annotated Anodyne CC(C)COC(=O)NC[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000169305602 HF Annotated Anodyne O=S1(=O)CCC[C@@H]2Nc3ccnn3[C@@H](c3ccc(F)c(Br)c3)[C@@H]21 ZINC000169306432 HF Annotated Anodyne O=S1(=O)CCC[C@@H]2Nc3ccnn3[C@H](c3ccc(F)c(Br)c3)[C@@H]21 ZINC000169306434 HF Annotated Anodyne Cc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)n1 ZINC000169306842 HF Annotated Reactive Cc1cccc(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)n1 ZINC000169306845 HF Annotated Reactive CCCS(=O)(=O)Nc1ccc(F)c(Oc2ccc3ncn(C)c(=O)c3c2)c1C#N ZINC000169308837 HF Annotated Mild CC[C@H]1[C@H](C[C@H](C)C(=O)OC)O[C@]23CC[C@@H]([C@@H]4C[C@H](C)C(=O)O4)N2CCCC[C@]13O ZINC000169308873 HF Annotated Anodyne O=P(O)(O)[C@@](O)(c1ccc(Br)cc1)[P@@](=O)(O)Oc1ccccc1 ZINC000169309284 HF Annotated Anodyne O=P(O)(O)[C@](O)(c1ccc(Br)cc1)[P@@](=O)(O)Oc1ccccc1 ZINC000169309286 HF Annotated Anodyne NC(=S)Nc1nn2c(=O)[nH]c(=S)[nH]c2c1Cc1ccc(-c2ccccc2)cc1 ZINC000169309423 HF Annotated Anodyne CO[C@@H]1C=C(CC[C@@]2(O)[C@H](C)[C@@H](O)[C@@H](OC(C)=O)[C@H]3C(C)(C)CCC[C@@]32C)C(=O)O1 ZINC000169310290 HF Annotated Anodyne CO[C@H]1C=C(CC[C@@]2(O)[C@H](C)[C@@H](O)[C@@H](OC(C)=O)[C@H]3C(C)(C)CCC[C@@]32C)C(=O)O1 ZINC000169310292 HF Annotated Anodyne CCNC(=O)c1nc(-c2cc(OC)c(OC)c(OC)c2)n(-c2ccc(OC)cc2)n1 ZINC000169310558 HF Annotated Anodyne CN(c1ccc(C#N)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)cn2)c1 ZINC000169311697 HF Annotated Mild O=C(NCCN1CCC(c2nc3ccccc3o2)CC1)[C@@H]1COc2ccccc2O1 ZINC000169312189 HF Annotated Anodyne O=C(NCCN1CCC(c2nc3ccccc3o2)CC1)[C@H]1COc2ccccc2O1 ZINC000169312191 HF Annotated Anodyne Cc1cc2ncc(N3C[C@H](CN)[C@@H](c4cc(F)c(F)cc4F)CC3=O)c(C)n2n1 ZINC000169312425 HF Annotated Anodyne NC[C@H]1CN(CCc2ccc3c(c2)OCO3)C(=O)C[C@@H]1c1cc(F)c(F)cc1F ZINC000169312428 HF Annotated Anodyne O=C1N[C@H](C(=O)O)Cc2cccc(c2)OC/C=C\COc2cc(C(F)(F)F)c1cn2 ZINC000169313412 HF Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)c2ccc(N)cc2)CC(=O)O1 ZINC000169315690 HF Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)c2ccc(N)cc2)CC(=O)O1 ZINC000169315693 HF Annotated Anodyne CCCC[C@H](O)[C@@H]1CC2=C(CC[C@@H](CCCC)C3=C1C(=O)OC3=O)C(=O)OC2=O ZINC000169316142 HF Annotated Reactive CCCC[C@H](O)[C@H]1CC2=C(CC[C@@H](CCCC)C3=C1C(=O)OC3=O)C(=O)OC2=O ZINC000169316144 HF Annotated Reactive C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)c2cccc(N)c2)CC(=O)O1 ZINC000169318128 HF Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)c2cccc(N)c2)CC(=O)O1 ZINC000169318129 HF Annotated Anodyne COC1=C[C@]23CCN(C)[C@H](Cc4c(Br)cc(OC)c(O)c42)[C@@H]3CC1=O ZINC000169318282 HF Annotated Mild O=C(Cc1ccccc1)[C@@]12C[C@H]3NC[C@H]1[C@H]1CN[C@H]2C[C@]31C(=O)Cc1ccccc1 ZINC000169318735 HF Annotated Anodyne O=C(O)c1cc(=O)c2c3c(ccc2[nH]1)S(=O)(=O)c1ccc(Br)cc1-3 ZINC000169319955 HF Annotated Anodyne O=C(O)c1cc(=O)c2cc3c(c(Br)c2[nH]1)-c1ccccc1S3(=O)=O ZINC000169319970 HF Annotated Anodyne CC[C@@H]1O[C@]2(C)[C@@H](O)[C@H](/C=C/C=C/C=C/c3oc(=O)cc(OC)c3C)O[C@]1(C)[C@H]2O ZINC000169320332 HF Annotated Anodyne CNC1=NC(=O)[C@H]([C@@H](C)c2cn(C(=O)O[C@@H](C)CN(C)C)c3ccccc23)S1 ZINC000169320532 HF Annotated Anodyne CNC1=NC(=O)[C@H]([C@H](C)c2cn(C(=O)O[C@@H](C)CN(C)C)c3ccccc23)S1 ZINC000169320536 HF Annotated Anodyne CS(=O)(=O)Nc1ccc(F)cc1-c1cc2cc(F)ccc2n1S(C)(=O)=O ZINC000169321779 HF Annotated Anodyne O=C(O)c1ccc2oc3ccc(OC[C@@H](O)COCC(F)(F)F)cc3c(=O)c2c1 ZINC000169321990 HF Annotated Bother O=C(O)c1ccc2oc3ccc(OC[C@H](O)COCC(F)(F)F)cc3c(=O)c2c1 ZINC000169321993 HF Annotated Bother COc1ccc(OC)c([C@@H]2[C@@H]([N+](=O)[O-])[C@@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000169322075 HF Annotated Bother COc1ccc(OC)c([C@@H]2[C@H]([N+](=O)[O-])[C@@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000169322080 HF Annotated Bother C=C(OCC)c1ccc(Nc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000169322245 HF Annotated Anodyne C=C(OCC)c1ccc(Nc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000169322248 HF Annotated Anodyne COc1ccc(NS(C)(=O)=O)c(-c2cc3cc(OC)ccc3n2S(C)(=O)=O)c1 ZINC000169323468 HF Annotated Anodyne O=C(C[C@H]1CNC(=O)c2cc(-c3cccc(F)c3)cn21)N[C@H](CO)Cc1ccccc1 ZINC000169325488 HF Annotated Anodyne NC[C@@H](NC(=O)C[C@H]1CNC(=O)c2cc(-c3cccc(F)c3)cn21)C1CCCCC1 ZINC000169325491 HF Annotated Anodyne O=C(C[C@H]1CNC(=O)c2cc(-c3cccc(F)c3)cn21)N[C@H](CO)c1ccccc1 ZINC000169325640 HF Annotated Anodyne Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000169325960 HF Annotated Clean CCCOC(=O)Nc1ccc(S(=O)(=O)n2cc(-c3ccco3)[nH]c2=O)cc1C ZINC000169326244 HF Annotated Anodyne Cc1cc(S(=O)(=O)n2cc(-c3ccco3)[nH]c2=O)ccc1NC(=O)OC(C)C ZINC000169326248 HF Annotated Anodyne CC1(C)O[C@@H]2O[C@@H](Cc3cn4ccccc4nc3=O)[C@@H](OCc3ccccc3)[C@@H]2O1 ZINC000169326955 HF Annotated Anodyne CC1(C)O[C@@H]2O[C@@H](Cc3cn4ccccc4nc3=O)[C@H](OCc3ccccc3)[C@@H]2O1 ZINC000169326958 HF Annotated Anodyne CCCCCC(=O)OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn32)[C@@H]1OC(=O)CCCCC ZINC000169327377 HF Annotated Anodyne O=C(Cc1ccccc1)O[C@@H]1C=C[C@@H](n2ccc(=O)n(Cc3ccccc3)c2=O)C1 ZINC000169327500 HF Annotated Anodyne O=C(Cc1ccccc1)O[C@H]1C=C[C@@H](n2ccc(=O)n(Cc3ccccc3)c2=O)C1 ZINC000169327502 HF Annotated Anodyne O=C(Cc1ccccc1)O[C@@H]1C=C[C@H](n2ccc(=O)n(Cc3ccccc3)c2=O)C1 ZINC000169327503 HF Annotated Anodyne O=C(Cc1ccccc1)O[C@H]1C=C[C@H](n2ccc(=O)n(Cc3ccccc3)c2=O)C1 ZINC000169327505 HF Annotated Anodyne N#Cc1cccc(C(=O)O[C@@H]2C=C[C@@H](n3ccc(=O)n(Cc4ccccc4)c3=O)C2)c1 ZINC000169327513 HF Annotated Mild N#Cc1cccc(C(=O)O[C@H]2C=C[C@@H](n3ccc(=O)n(Cc4ccccc4)c3=O)C2)c1 ZINC000169327515 HF Annotated Mild N#Cc1cccc(C(=O)O[C@@H]2C=C[C@H](n3ccc(=O)n(Cc4ccccc4)c3=O)C2)c1 ZINC000169327518 HF Annotated Mild N#Cc1cccc(C(=O)O[C@H]2C=C[C@H](n3ccc(=O)n(Cc4ccccc4)c3=O)C2)c1 ZINC000169327521 HF Annotated Mild Cc1cc(S(=O)(=O)n2cc(-c3ccco3)[nH]c2=O)ccc1NC(=O)NC(C)C ZINC000169331075 HF Annotated Anodyne O=[N+]([O-])c1ccc(CSc2nnnn2-c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000169331297 HF Annotated Bother O=[N+]([O-])c1cccc(-n2nnnc2SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000169331298 HF Annotated Bother O=[N+]([O-])c1ccc(-n2nnnc2SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000169331299 HF Annotated Bother O=[N+]([O-])c1cc(CSc2nnnn2-c2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000169331577 HF Annotated Bother O=[N+]([O-])c1cccc(-n2nnnc2SCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000169331579 HF Annotated Bother O=[N+]([O-])c1ccc(-n2nnnc2SCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000169331582 HF Annotated Bother O=[N+]([O-])c1cc(COc2nnnn2-c2ccc(Br)cc2)cc([N+](=O)[O-])c1 ZINC000169331788 HF Annotated Bother O=C1C=CC2(Oc3cccc4cccc(c34)O2)C2=C1[C@@H](O)[C@@H]1[C@@H]3C=C[C@@H](C3)[C@@H]1[C@H]2O ZINC000169332224 HF Annotated Mild O=C1C=CC2(Oc3cccc4cccc(c34)O2)C2=C1[C@@H](O)[C@H]1[C@@H]3C=C[C@@H](C3)[C@@H]1[C@H]2O ZINC000169332226 HF Annotated Mild O=C1C=CC2(Oc3cccc4cccc(c34)O2)C2=C1[C@@H](O)[C@H]1[C@H]([C@H]3C=C[C@H]1C3)[C@H]2O ZINC000169332229 HF Annotated Mild CN(C)Cc1nn(CO)c(=O)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000169334260 HF Annotated Anodyne Nc1cccc2c1C(=O)C(NS(=O)(=O)c1ccccc1)=C(Nc1ccccc1)C2=O ZINC000169334585 HF Annotated Mild Cc1cc(C)n(-c2ccc(S(=O)(=O)NC(=S)NCc3ccccc3)cc2)n1 ZINC000169336425 HF Annotated Anodyne CCCCCC(=O)Oc1ccc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)cc1 ZINC000169336601 HF Annotated Reactive CCCCN1C(=O)CCN(S(=O)(=O)c2ccc(-n3nc(C)cc3C)cc2)C1=S ZINC000169336841 HF Annotated Anodyne O=C(N[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1ccccc1 ZINC000169337543 HF Annotated Clean COc1ccc([C@@H]2[C@H](CO)OC(=O)N2c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000169338402 HF Annotated Anodyne COc1ccc([C@@H]2[C@@H](CO)OC(=O)N2c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000169338409 HF Annotated Anodyne COc1ccc([C@@H]2[C@@H](CN)OC(=O)N2c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000169338420 HF Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Cc2cnc(OC)c([N+](=O)[O-])c2)c(OC)c1 ZINC000169338502 HF Annotated Bother COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c([N+](=O)[O-])n2)c(OC)c1 ZINC000169338532 HF Annotated Bother CC[C@@H]1C(=O)OC[C@@H]1Cc1c[n+](CC(=O)c2ccc(Br)cc2)cn1C ZINC000169339245 HF Annotated Mild CC[C@H]1C(=O)OC[C@@H]1Cc1c[n+](CC(=O)c2ccc(Br)cc2)cn1C ZINC000169339247 HF Annotated Mild CC[C@@H]1C(=O)OC[C@H]1Cc1c[n+](CC(=O)c2ccc(Br)cc2)cn1C ZINC000169339249 HF Annotated Mild CC[C@H]1C(=O)OC[C@H]1Cc1c[n+](CC(=O)c2ccc(Br)cc2)cn1C ZINC000169339250 HF Annotated Mild CC[C@@H]1C(=O)OC[C@@H]1Cc1c[n+](C/C(=N\O)c2ccc(Br)cc2)cn1C ZINC000169339262 HF Annotated Mild CC[C@H]1C(=O)OC[C@@H]1Cc1c[n+](C/C(=N\O)c2ccc(Br)cc2)cn1C ZINC000169339263 HF Annotated Mild CC[C@@H]1C(=O)OC[C@H]1Cc1c[n+](C/C(=N\O)c2ccc(Br)cc2)cn1C ZINC000169339264 HF Annotated Mild CC[C@H]1C(=O)OC[C@H]1Cc1c[n+](C/C(=N\O)c2ccc(Br)cc2)cn1C ZINC000169339266 HF Annotated Mild Cc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2nc(C(=O)O)cs2)cc1 ZINC000169339932 HF Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CCC(O[C@@H]2CCCC[C@@H]2O)CC1 ZINC000169340034 HF Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CCC(O[C@H]2CCCC[C@@H]2O)CC1 ZINC000169340036 HF Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CCC(O[C@@H]2CCCC[C@H]2O)CC1 ZINC000169340038 HF Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CCC(O[C@H]2CCCC[C@H]2O)CC1 ZINC000169340040 HF Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cncnc3)c(N(C)C[C@@H]3CCCO3)nc2s1 ZINC000169340114 HF Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cncnc3)c(N(C)C[C@H]3CCCO3)nc2s1 ZINC000169340116 HF Annotated Anodyne O=C1Nc2ccccc2[C@@]12[C@@H]1CCCN1[C@@]1(C(=O)Nc3ccccc31)[C@@H]1CCCN12 ZINC000169340460 HF Annotated Anodyne O=C1Nc2ccccc2[C@]12[C@@H]1CCCN1[C@@]1(C(=O)Nc3ccccc31)[C@@H]1CCCN12 ZINC000169340462 HF Annotated Anodyne O=C1Nc2ccccc2[C@@]12[C@@H]1CCCN1[C@@]1(C(=O)Nc3ccccc31)[C@H]1CCCN12 ZINC000169340464 HF Annotated Anodyne NC(=S)N/N=C1/C=C(Nc2ccc(F)cc2)C(Nc2ccc(F)cc2)=NC1=O ZINC000169341089 HF Annotated Mild CN(C)C(=O)COc1ccc(-c2csc3nc(=O)c(Cc4ccccc4)nn23)cc1 ZINC000169341231 HF Annotated Anodyne O=C1C(NS(=O)(=O)c2cccs2)=C(N2CCCCC2)C(=O)c2ccccc21 ZINC000169341947 HF Annotated Mild CCCc1cc(=O)oc2c1c(OCCN1CCOCC1)cc1[nH]c([N+](=O)[O-])cc12 ZINC000169343015 HF Annotated Bother CCCc1cc(=O)oc2c3c(cc(OCCN4CCOCC4)c12)O[C@H]([N+](=O)[O-])[C@H]3C ZINC000169343016 HF Annotated Bother CCOC[C@@H]1COc2c(cc3[nH]cc(C(=O)OCC)c(=O)c3c2Br)O1 ZINC000169345471 HF Annotated Anodyne CCOC[C@H]1COc2c(cc3[nH]cc(C(=O)OCC)c(=O)c3c2Br)O1 ZINC000169345472 HF Annotated Anodyne CCOC[C@@H]1COc2c(cc3[nH]cc(C(=O)OCC)c(=O)c3c2C(F)(F)F)O1 ZINC000169345474 HF Annotated Anodyne CCOC[C@H]1COc2c(cc3[nH]cc(C(=O)OCC)c(=O)c3c2C(F)(F)F)O1 ZINC000169345476 HF Annotated Anodyne O=C(N/N=C/c1ccc(OCCn2cc(-c3ccccn3)nn2)cc1)c1ccncc1 ZINC000169346136 HF Annotated Reactive CSc1ccc2c(c1)c(C(=O)O)c(-c1ccccc1)n2C1=NNC(=S)N[C@@H]1N ZINC000169346684 HF Annotated Anodyne CSc1ccc2c(c1)c(C(=O)O)c(-c1ccccc1)n2C1=NNC(=S)N[C@H]1N ZINC000169346685 HF Annotated Anodyne NC(=O)c1cccc2c1O/C(=C\c1ccc(OCCCN3CCOCC3)cc1)C2=O ZINC000169348813 HF Annotated Mild CCOP(=O)(OCC)[C@@H](O)C1=C(N(C)C)C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000169348851 HF Annotated Anodyne CCOP(=O)(OCC)[C@H](O)C1=C(N(C)C)C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000169348852 HF Annotated Anodyne CCOP(=O)(OCC)[C@@H](O)C1=C(N(C)C)C(=O)N(c2cccc(Cl)c2)C1=O ZINC000169348853 HF Annotated Anodyne CCOP(=O)(OCC)[C@H](O)C1=C(N(C)C)C(=O)N(c2cccc(Cl)c2)C1=O ZINC000169348854 HF Annotated Anodyne COCCOc1ccc(-c2cnc(COc3ncccc3C(N)=O)nc2)c(Cl)c1 ZINC000169348940 HF Annotated Anodyne CCOP(=O)(OCC)[C@@H](O)C1=C(N(C)C)C(=O)N(c2ccccc2Cl)C1=O ZINC000169349080 HF Annotated Anodyne CCOP(=O)(OCC)[C@H](O)C1=C(N(C)C)C(=O)N(c2ccccc2Cl)C1=O ZINC000169349081 HF Annotated Anodyne COc1ccc2c(c1)nc(CCn1c(=O)n(C)c3cccnc31)n2-c1ccccn1 ZINC000169349804 HF Annotated Anodyne COc1ccc2c(c1)nc(CCn1c(=O)n(C)c3cccnc31)n2-c1cccnc1 ZINC000169349806 HF Annotated Anodyne COc1ccc2c(c1)nc(CCn1c(=O)n(C)c3cccnc31)n2-c1ccncc1 ZINC000169349807 HF Annotated Anodyne COc1ccnc2c1nc(CCn1c(=O)n(C)c3cccnc31)n2-c1ccccc1 ZINC000169349811 HF Annotated Anodyne Cn1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4cc(F)c(F)cc34)CC2)c1Cl ZINC000169350018 HF Annotated Anodyne Cn1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4cc(F)ccc34)CC2)c1Cl ZINC000169350020 HF Annotated Anodyne Cn1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4c(F)cccc34)CC2)c1Cl ZINC000169350022 HF Annotated Anodyne C[C@H]1COC2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)O1 ZINC000169350171 HF Annotated Bother O=C(NC[C@@H]1N=Cc2cncnc21)[C@@H](c1ccccc1)N1C(=O)C[C@@H]1c1ccccc1 ZINC000169350501 HF Annotated Anodyne O=C(NC[C@@H]1N=Cc2cncnc21)[C@H](c1ccccc1)N1C(=O)C[C@@H]1c1ccccc1 ZINC000169350503 HF Annotated Anodyne Nc1nc2ccc(C(=O)NC3CC3)nc2n1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000169351123 HF Annotated Anodyne Nc1nc2ccc(C(=O)NC3CC3)nc2n1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000169351124 HF Annotated Anodyne COc1ncnc(Cn2cc(C(=O)NCCF)c3ncc(Br)cc32)c1C ZINC000169351317 HF Annotated Anodyne COc1ncnc(Cn2cc(C(=O)NCCF)c3ncc(C(F)(F)F)cc32)c1C ZINC000169351318 HF Annotated Anodyne CC1=NN(C(=O)c2cc3ccccc3oc2=O)C(=O)[C@@H]1CNc1ccc(C(=O)O)cc1 ZINC000169351893 HF Annotated Anodyne CC1=NN(C(=O)c2cc3ccccc3oc2=O)C(=O)[C@H]1CNc1ccc(C(=O)O)cc1 ZINC000169351894 HF Annotated Anodyne CC1=NN(C(=O)c2cc3ccccc3oc2=O)C(=O)[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000169351897 HF Annotated Bother CC1=NN(C(=O)c2cc3ccccc3oc2=O)C(=O)[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000169351898 HF Annotated Bother CN(C)/C=N\C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)/N=C/N(C)C ZINC000169352185 HF Annotated Mild S=C(NN=C(c1ccccn1)c1ccccn1)N1CCN(c2ccccc2)CC1 ZINC000169352283 HF Annotated Mild O=C(O[C@@H](Cn1ccnc1)c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000169352602 HF Annotated Anodyne O=C(O[C@H](Cn1ccnc1)c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000169352603 HF Annotated Anodyne COc1ncc(C(F)(F)F)cc1Cn1cc(C(=O)NCCO)c2ncc(C)cc21 ZINC000169353744 HF Annotated Anodyne COCn1c(CC(COCc2ccccc2)COCc2ccccc2)cc(=O)[nH]c1=O ZINC000169353944 HF Annotated Anodyne COC(=O)CCCC(=O)O[C@H]1C[C@H]2/C=C\CCC[C@H](C)OC(=O)/C=C\[C@@H](O)[C@@H]2C1 ZINC000169354487 HF Annotated Anodyne COC(=O)CCCC(=O)O[C@H]1C[C@H]2/C=C/CCC[C@H](C)OC(=O)/C=C\[C@@H](O)[C@@H]2C1 ZINC000169354488 HF Annotated Anodyne COC(=O)CCCC(=O)O[C@H]1C[C@H]2/C=C\CCC[C@H](C)OC(=O)/C=C/[C@@H](O)[C@@H]2C1 ZINC000169354489 HF Annotated Anodyne COC(=O)CCCC(=O)O[C@@H]1/C=C\C(=O)O[C@@H](C)CCC/C=C\[C@@H]2C[C@H](O)C[C@H]21 ZINC000169354626 HF Annotated Anodyne COC(=O)CCCC(=O)O[C@@H]1/C=C\C(=O)O[C@@H](C)CCC/C=C/[C@@H]2C[C@H](O)C[C@H]21 ZINC000169354627 HF Annotated Anodyne COC(=O)CCCC(=O)O[C@@H]1/C=C/C(=O)O[C@@H](C)CCC/C=C\[C@@H]2C[C@H](O)C[C@H]21 ZINC000169354628 HF Annotated Anodyne C[C@@H]1CCC/C=C\[C@@H]2O[C@H](C[C@@H](O)C/C=C\C=C/[C@@H](O)C/C=C\C=C/C(=O)O1)[C@H]2O ZINC000169356691 HF Annotated Anodyne C[C@@H]1CCC/C=C\[C@@H]2O[C@H](C[C@@H](O)C/C=C/C=C\[C@@H](O)C/C=C\C=C/C(=O)O1)[C@H]2O ZINC000169356692 HF Annotated Anodyne C[C@@H]1CCC/C=C\[C@@H]2O[C@H](C[C@@H](O)C/C=C\C=C\[C@@H](O)C/C=C\C=C/C(=O)O1)[C@H]2O ZINC000169356693 HF Annotated Anodyne C[C@@H]1CCC/C=C\[C@@H]2O[C@H](C[C@@H](O)C/C=C/C=C/[C@@H](O)C/C=C\C=C/C(=O)O1)[C@H]2O ZINC000169356694 HF Annotated Anodyne C[C@@H]1CO[C@@H]2C(CNc3ccc(Cl)cc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000169363432 HF Annotated Mild C[C@@H]1CO[C@H]2C(CNc3ccc(Cl)cc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000169363433 HF Annotated Mild CCOC(=O)[C@@H](C)/N=C1\CCN(C(=O)[C@H](C)CS)[C@@H]1Cc1ccc(OC)cc1 ZINC000169364012 HF Annotated Mild CCOC(=O)[C@H](C)/N=C1\CCN(C(=O)[C@H](C)CS)[C@@H]1Cc1ccc(OC)cc1 ZINC000169364013 HF Annotated Mild CC(=O)O[C@H]1C#C/C=C/C#CC[C@H]2C(=O)N(C(=O)NCc3cccc4ccccc34)[C@H]12 ZINC000169364415 HF Annotated Mild CC(=O)O[C@@H]1C#C/C=C/C#CC[C@H]2C(=O)N(C(=O)NCc3cccc4ccccc34)[C@H]12 ZINC000169364455 HF Annotated Mild CC(=O)O[C@@H]1C#C/C=C/C#CC[C@H]2C(=O)N(C(=O)NCc3ccc4ccccc4c3)[C@H]12 ZINC000169364667 HF Annotated Mild CC1=C[C@@H]2/C=C(/C)CC[C@H](O)[C@@H](O)/C=C/C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000169366790 HF Annotated Mild CC1=C[C@@H]2/C=C(\C)CC[C@H](O)[C@@H](O)/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000169366791 HF Annotated Mild CC[C@@H]1CN2CC3=C(O)[C@@H]4C(OC)=CC=C[C@@H]4N=C3[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000169368635 HF Annotated Anodyne CC[C@@H]1CN2CC3=C(O)[C@H]4C(OC)=CC=C[C@@H]4N=C3[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000169368636 HF Annotated Anodyne CC1=C[C@@H]2/C=C(/C)CC[C@H](O)[C@H](O)/C=C\C(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000169371244 HF Annotated Anodyne CC1=C[C@@H]2/C=C(\C)CC[C@H](O)[C@H](O)/C=C\C(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000169371245 HF Annotated Anodyne CC1=C[C@@H]2/C=C(\C)CC[C@H](O)[C@H](O)/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000169371308 HF Annotated Mild C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)c2ccc(O)cc2)CC(=O)O1 ZINC000169371955 HF Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)c2ccc(O)cc2)CC(=O)O1 ZINC000169371956 HF Annotated Anodyne CO[C@@H]1C[C@H]2C(C)(C)CC[C@H](OC(=O)[C@@H](NC(C)=O)C(C)C)[C@]2(C)C2=C1C(=O)OC2 ZINC000169638572 HF Annotated Anodyne COc1cc2c(c(OC)c1O)[C@@H]1c3c(cc(OC)c(O)c3OC)[C@H]3OC[C@@H]1[C@H]3CO2 ZINC000169641474 HF Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12 ZINC000169644994 HF Annotated Mild CC(=O)O[C@@H]1C[C@H]2[C@]3(C)CCC[C@]2(COC3=O)C2=C1C(=O)C(C(C)C)=C(O)C2=O ZINC000169648435 HF Annotated Mild Cc1onc([C@@H]2CC[C@@H](F)CN2)c1COc1ccc(C(=O)NC2CCOCC2)cn1 ZINC000169685420 HF Annotated Anodyne Cc1onc([C@H]2CC[C@@H](F)CN2)c1COc1ccc(C(=O)NC2CCOCC2)cn1 ZINC000169685421 HF Annotated Anodyne Cc1onc([C@@H]2CC[C@H](F)CN2)c1COc1ccc(C(=O)NC2CCOCC2)cn1 ZINC000169685422 HF Annotated Anodyne Cc1onc([C@H]2CC[C@H](F)CN2)c1COc1ccc(C(=O)NC2CCOCC2)cn1 ZINC000169685423 HF Annotated Anodyne C=c1c(C#N)c2[nH]c(N)c(C#N)c(C)c-2/c1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 ZINC000169685596 HF Annotated Mild C=c1c(C#N)c2[nH]c(N)c(C#N)c(C)c-2/c1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 ZINC000169685597 HF Annotated Mild COCc1ccc(CC(=O)Nc2cncc(C(=O)c3cn(C)c4ncncc34)c2)cc1 ZINC000169686332 HF Annotated Anodyne Cc1c(/N=C2/C(=O)N(c3ccccc3)C(=O)[C@@H]2Cl)c(=O)n(-c2ccccc2)n1C ZINC000169686812 HF Annotated Reactive Cc1c(/N=C2/C(=O)N(c3ccccc3)C(=O)[C@H]2Cl)c(=O)n(-c2ccccc2)n1C ZINC000169686813 HF Annotated Reactive C=CCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccncc2)cc1 ZINC000169686866 HF Annotated Mild C=CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccncc2)cc1 ZINC000169686867 HF Annotated Mild C=CCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCCOC)[C@H]2c2ccncc2)cc1 ZINC000169686868 HF Annotated Mild CN1[C@@H](c2ccc(C(=N)N)cc2)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C[C@@H]2C1(C)C ZINC000169687033 HF Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000169687114 HF Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000169687115 HF Annotated Anodyne CCOC(=O)[C@@H]1C(C)=NC(SC(C)=O)=N[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000169687158 HF Annotated Anodyne CCOC(=O)[C@H]1C(C)=NC(SC(C)=O)=N[C@@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000169687159 HF Annotated Anodyne CCOC(=O)[C@@H]1C(C)=NC(SC(C)=O)=N[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000169687160 HF Annotated Anodyne CCOC(=O)[C@H]1C(C)=NC(SC(C)=O)=N[C@H]1c1ccc(OC(C)=O)c(OC)c1 ZINC000169687161 HF Annotated Anodyne CCOC(=O)[C@@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(C)c1ccccc12 ZINC000169688108 HF Annotated Anodyne CCOC(=O)[C@H]1C(=N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(C)c1ccccc12 ZINC000169688109 HF Annotated Anodyne O=C(CC1=NC2(CCCC2)Cc2ccccc21)C(=O)N/N=C/c1ccc(O)c(O)c1 ZINC000169688553 HF Annotated Reactive C=c1c(C#N)c2[nH]c(N)c(C#N)c(C)c-2/c1=C\c1ccc(-c2ccccc2C(=O)O)o1 ZINC000169688576 HF Annotated Mild C=c1c(C#N)c2[nH]c(N)c(C#N)c(C)c-2/c1=C/c1ccc(-c2ccccc2C(=O)O)o1 ZINC000169688577 HF Annotated Mild CCN(CC)c1ccc(/N=C/c2c(O)n(-c3ccc(OC)cc3)c(=O)[nH]c2=O)cc1 ZINC000169688660 HF Annotated Mild O=C(N/N=C/[c-]1cc(Cl)cc([N+](=O)[O-])c1=O)C(O)(c1ccccc1)c1ccccc1 ZINC000169688948 HF Annotated Reactive COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)NCc2ccccn2)c1 ZINC000169689075 HF Annotated Anodyne COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)NCc2ccccn2)c1 ZINC000169689076 HF Annotated Anodyne COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)NCc2cccnc2)c1 ZINC000169689125 HF Annotated Anodyne O=C1c2ccccc2C(=O)C1C1=N[C@@H](C(=O)O)c2c1c(O)n(-c1ccccc1)c2O ZINC000169689734 HF Annotated Clean O=C1c2ccccc2C(=O)C1C1=N[C@H](C(=O)O)c2c1c(O)n(-c1ccccc1)c2O ZINC000169689735 HF Annotated Clean CC1=C[C@H]2/C=C(\C)CC[C@@H](O)[C@@H](O)/C=C/C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@H]3[C@H]1C ZINC000169689821 HF Annotated Mild CC1=C[C@H]2/C=C(\C)CC[C@@H](O)[C@@H](O)/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@H]3[C@H]1C ZINC000169689822 HF Annotated Mild CC1=C[C@H]2/C=C(/C)CC[C@@H](O)[C@@H](O)/C=C/C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@H]3[C@H]1C ZINC000169689823 HF Annotated Mild CC1=C[C@H]2/C=C(/C)CC[C@@H](O)[C@@H](O)/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@H]3[C@H]1C ZINC000169689824 HF Annotated Mild O=c1ccc([N+](=O)[O-])c[c-]1/C=N/n1c(COc2ccccc2)nc2ccccc2c1=O ZINC000169689829 HF Annotated Mild C[C@@H]1Cc2cc(C(=O)[C@@H]3C(=O)C(=O)N(C[C@@H]4CCCO4)[C@@H]3c3ccco3)ccc2O1 ZINC000169689941 HF Annotated Anodyne C[C@H]1Cc2cc(C(=O)[C@@H]3C(=O)C(=O)N(C[C@@H]4CCCO4)[C@@H]3c3ccco3)ccc2O1 ZINC000169689942 HF Annotated Anodyne C[C@@H]1Cc2cc(C(=O)[C@H]3C(=O)C(=O)N(C[C@@H]4CCCO4)[C@@H]3c3ccco3)ccc2O1 ZINC000169689943 HF Annotated Anodyne C[C@H]1Cc2cc(C(=O)[C@H]3C(=O)C(=O)N(C[C@@H]4CCCO4)[C@@H]3c3ccco3)ccc2O1 ZINC000169689944 HF Annotated Anodyne CCCCOC(=O)[C@@H]1C(C)=Nc2ncnn2[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000169690541 HF Annotated Anodyne CCCCOC(=O)[C@H]1C(C)=Nc2ncnn2[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000169690542 HF Annotated Anodyne CCCCOC(=O)[C@@H]1C(C)=Nc2ncnn2[C@H]1c1cc(OC)c(OC)cc1OC ZINC000169690543 HF Annotated Anodyne CCCCOC(=O)[C@H]1C(C)=Nc2ncnn2[C@H]1c1cc(OC)c(OC)cc1OC ZINC000169690544 HF Annotated Anodyne CC(=O)N1C(=O)[C@@]2(c3ccccc31)c1c(C)nn(-c3ccccc3)c1OC(=N)[C@@H]2C#N ZINC000169690971 HF Annotated Mild CC(=O)N1C(=O)[C@]2(c3ccccc31)c1c(C)nn(-c3ccccc3)c1OC(=N)[C@@H]2C#N ZINC000169690972 HF Annotated Mild CCCc1[nH]nc2c1[C@@H](c1ccc(OC(=O)N3CCOCC3)cc1)[C@@H](C#N)C(=N)O2 ZINC000169691013 HF Annotated Mild CCCc1[nH]nc2c1[C@H](c1ccc(OC(=O)N3CCOCC3)cc1)[C@@H](C#N)C(=N)O2 ZINC000169691014 HF Annotated Mild Cc1ccc(/C=N/NC(=O)[C@@H](/C=N/c2nccc(C)n2)NC(=O)c2ccccc2)cc1 ZINC000169691618 HF Annotated Reactive Cc1ccc(/C=N/NC(=O)[C@H](/C=N/c2nccc(C)n2)NC(=O)c2ccccc2)cc1 ZINC000169691619 HF Annotated Reactive CCOC(=O)c1ccc(-n2c(O)cc(N3CCC(C(=O)OCC)CC3)c2O)cc1 ZINC000169691764 HF Annotated Anodyne CCOC(=O)[C@@H]1C(COC(=O)c2ncc(Cl)c(Cl)c2Cl)=NC(=O)N[C@@H]1C ZINC000169691821 HF Annotated Anodyne CCOC(=O)[C@H]1C(COC(=O)c2ncc(Cl)c(Cl)c2Cl)=NC(=O)N[C@@H]1C ZINC000169691822 HF Annotated Anodyne CCOC(=O)[C@@H]1C(COC(=O)c2ncc(Cl)c(Cl)c2Cl)=NC(=O)N[C@H]1C ZINC000169691823 HF Annotated Anodyne CCOC(=O)[C@H]1C(COC(=O)c2ncc(Cl)c(Cl)c2Cl)=NC(=O)N[C@H]1C ZINC000169691824 HF Annotated Anodyne CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1=C2NS(=O)(=O)C=CN2C=CC1 ZINC000169691966 HF Annotated Anodyne C=CC[C@]1(O)C([C@H]2C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc32)=Nc2ccccc21 ZINC000169692431 HF Annotated Mild C=CC[C@@]1(O)C([C@H]2C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc32)=Nc2ccccc21 ZINC000169692432 HF Annotated Mild C=CC[C@]1(O)C([C@@H]2C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc32)=Nc2ccccc21 ZINC000169692433 HF Annotated Mild C=CC[C@@]1(O)C([C@@H]2C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc32)=Nc2ccccc21 ZINC000169692434 HF Annotated Mild Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1ccc3c(c1)OCO3)[C@@H](C#N)C(=N)O2 ZINC000169693922 HF Annotated Mild Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccc3c(c1)OCO3)[C@@H](C#N)C(=N)O2 ZINC000169693923 HF Annotated Mild CN(C)C(=O)[C@@H]1C[C@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN1 ZINC000169694746 HF Annotated Anodyne COCCOc1ccc2c(c1)[C@@]1(N=C(N)N(C(C)C)C1=O)C1(CCC(OC)CC1)C2 ZINC000169700396 HF Annotated Anodyne COCCOc1ccc2c(c1)[C@]1(N=C(N)N(C(C)C)C1=O)C1(CCC(OC)CC1)C2 ZINC000169700398 HF Annotated Anodyne CN1C(=O)[C@@]2(N=C1N)c1cc(C#CC3CC3)ccc1OC21CCC(OC(F)F)CC1 ZINC000169700473 HF Annotated Mild CN1C(=O)[C@]2(N=C1N)c1cc(C#CC3CC3)ccc1OC21CCC(OC(F)F)CC1 ZINC000169700474 HF Annotated Mild CN1CCN(c2nccn3c(-c4ccnc(NCc5ccsc5)n4)cnc23)CC1 ZINC000169701245 HF Annotated Anodyne CC(C)Oc1ccc(N2CCC3(CCC(O)(CN4CCCC4=O)CC3)C2=O)cn1 ZINC000169701638 HF Annotated Anodyne CNC(=O)c1c(NC(=O)c2nc(C(C)C)ncc2Nc2cccc(F)c2)cnn1C ZINC000169701811 HF Annotated Anodyne CNC(=O)c1c(NC(=O)c2nc(C(C)C)ncc2Nc2ccc(F)cc2)cnn1C ZINC000169701814 HF Annotated Anodyne Cc1cc([C@H](CO)Nc2nc(Nc3cc(C(C)(C)C)n(C)n3)c3c[nH]nc3n2)on1 ZINC000169702569 HF Annotated Anodyne Cn1nc(Nc2nc(N[C@@H](CO)c3ccccn3)nc3n[nH]cc23)cc1C(C)(C)C ZINC000169702571 HF Annotated Anodyne Cn1nc(Nc2nc(N[C@@H](CO)c3cccnc3)nc3n[nH]cc23)cc1C(C)(C)C ZINC000169702572 HF Annotated Anodyne O=C(OCCCO)[C@@H]1C(=O)/C(=C/c2c[nH]c3ncccc23)O/C1=N\c1ccc(F)cc1 ZINC000169702597 HF Annotated Mild O=C(OCCCO)[C@H]1C(=O)/C(=C/c2c[nH]c3ncccc23)O/C1=N\c1ccc(F)cc1 ZINC000169702598 HF Annotated Mild CS(=O)(=O)NCc1nnc(Cc2nc3ccc(-c4ccccc4)cc3s2)o1 ZINC000169702907 HF Annotated Anodyne N#CC1(NC(=O)Cc2nnc(Cc3nc4ccc(C5=CCOCC5)cc4s3)o2)CC1 ZINC000169702910 HF Annotated Mild CCOC(=O)c1cc2nc(-c3nc(C(=O)NCc4ccncc4)[nH]c3C)ccc2[nH]1 ZINC000169703953 HF Annotated Anodyne O=C(c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1 ZINC000169704132 HF Annotated Anodyne O=C(c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@@H](O)C1 ZINC000169704133 HF Annotated Anodyne CC1(O)CN(C(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)C1 ZINC000169704140 HF Annotated Anodyne CC[C@@H](CO)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 ZINC000169704250 HF Annotated Anodyne N#Cc1ccc(-c2ccc(-n3c(C[C@@H]4CCN(C(=O)C5CC5)C4)n[nH]c3=O)cc2)cc1 ZINC000169704593 HF Annotated Mild N#Cc1ccc(-c2ccc(-n3c(C[C@H]4CCN(C(=O)C5CC5)C4)n[nH]c3=O)cc2)cc1 ZINC000169704594 HF Annotated Mild COc1ccc2c(c1)C(=O)N[C@@H](Cc1ccc(-c3ccnc(N)c3)cc1)C(=O)N2C ZINC000169705904 HF Annotated Anodyne CCc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC(OC)C5)c34)cnn2C)cc1 ZINC000169706110 HF Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cccc(C(=O)N3CCN(C)CC3)c2)cc1 ZINC000169706299 HF Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cccc(C(=O)N3CCN(C)CC3)c2)cc1 ZINC000169706300 HF Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(N(C)C3CCC(O)CC3)n2)cc1 ZINC000169706353 HF Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(N(C)C3CCC(O)CC3)n2)cc1 ZINC000169706354 HF Annotated Mild CC(C)(O)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707023 HF Annotated Anodyne Cc1ccn(CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)n1 ZINC000169707679 HF Annotated Anodyne Cc1ccnn1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 ZINC000169707693 HF Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ncccn3)c2)c2cncnc21 ZINC000169707716 HF Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3ccc4c(c3)CCO4)c2)c2cncnc21 ZINC000169707740 HF Annotated Anodyne Cn1cc(CC(=O)Nc2cncc(C(=O)c3cn(C(C)(C)C)c4ncncc34)c2)cn1 ZINC000169707757 HF Annotated Anodyne Cc1nccn1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 ZINC000169707900 HF Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cnccn3)c2)c2cncnc21 ZINC000169707917 HF Annotated Anodyne Cc1cnc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)cn1 ZINC000169707928 HF Annotated Anodyne Cc1nn(C)cc1C(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 ZINC000169707929 HF Annotated Anodyne Cc1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)nn1C ZINC000169707933 HF Annotated Anodyne Cc1cncnc1C(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 ZINC000169707943 HF Annotated Anodyne Cc1cncc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)n1 ZINC000169707984 HF Annotated Anodyne Cc1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)n(C)n1 ZINC000169708024 HF Annotated Anodyne CN1C(=O)Cc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)s3)cc21 ZINC000169708951 HF Annotated Mild CN1C(=O)Cc2ccc(-c3csc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c3)cc21 ZINC000169708971 HF Annotated Mild CN1C(=O)Cc2ccc(-c3csc(C[C@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c3)cc21 ZINC000169708972 HF Annotated Mild C[C@H](NC(=O)CO)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709626 HF Annotated Anodyne C[C@H](NC(=O)CO)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709627 HF Annotated Anodyne C[C@H](NC(=O)CO)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709742 HF Annotated Anodyne C[C@H](NC(=O)CO)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709743 HF Annotated Anodyne CCS(=O)(=O)NC[C@@H]1CC[C@@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 ZINC000169710817 HF Annotated Anodyne COCCOc1ccc([C@@H](C)NC(=O)n2sc3ncccc3c2=O)cc1OC ZINC000169711349 HF Annotated Anodyne CN[C@@H](C)c1ccc(C(=O)Cn2ncc(OCc3ccc(OC)cn3)cc2=O)c(C)c1 ZINC000169711369 HF Annotated Anodyne CN[C@H](C)c1ccc(C(=O)Cn2ncc(OCc3ccc(OC)cn3)cc2=O)c(C)c1 ZINC000169711370 HF Annotated Anodyne Cc1cc(CN(C)C)ccc1C(=O)Cn1ncc(OCc2ccc(F)cn2)cc1=O ZINC000169711451 HF Annotated Anodyne CNCc1ccc(C(=O)Cn2ncc(OCc3ccc(Cl)cn3)cc2=O)c(C)c1 ZINC000169711457 HF Annotated Anodyne CCNCc1ccc(C(=O)Cn2ncc(OCc3ccc(OC)cn3)cc2=O)c(C)c1 ZINC000169711482 HF Annotated Anodyne COc1cc2c(cc1OC)CN(c1ncnn3c(C)nc(C4CCOCC4)c13)CC2 ZINC000169711691 HF Annotated Anodyne COc1ccc2c(c1OC)CN(c1ncnn3c(C)nc(C4CCOCC4)c13)CC2 ZINC000169711692 HF Annotated Anodyne Cc1nc2c(c(C(F)(F)F)n1)CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711718 HF Annotated Anodyne Cc1nc(C2CCOCC2)c2c(N3CCn4ncc(C(F)(F)F)c4C3)ncnn12 ZINC000169711733 HF Annotated Anodyne CCn1c(C)nc2c(c1=O)CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2 ZINC000169711759 HF Annotated Anodyne CCc1nc(C2CC2)nc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711768 HF Annotated Anodyne CCOc1nc(C2CC2)nc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711776 HF Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4ccc(C(F)(F)F)nc4C3)ncnn12 ZINC000169711785 HF Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4c(O)nc(C5CCCC5)nc4C3)ncnn12 ZINC000169711786 HF Annotated Anodyne O=c1[nH]c(O)c(-c2cc(Cl)ccc2S(=O)(=O)NCCCc2ccccc2)[nH]1 ZINC000169712816 HF Annotated Anodyne O=C1C(=O)[C@]2(CS[C@@]3(CS2)C(=O)C(=O)[C@H]3c2ccccc2)[C@H]1c1ccccc1 ZINC000169715212 HF Annotated Clean O=C1C(=O)[C@]2(CS[C@]3(CS2)C(=O)C(=O)[C@H]3c2ccccc2)[C@H]1c1ccccc1 ZINC000169715213 HF Annotated Clean NCCCCc1c(O)n([C@H](CC2CCCCC2)C(N)=O)c(=O)n1Cc1ccccc1 ZINC000169715827 HF Annotated Anodyne NCCCCc1c(O)n([C@@H](CC2CCCCC2)C(N)=O)c(=O)n1Cc1ccccc1 ZINC000169715832 HF Annotated Anodyne CC(C)(C)CCN1C(=O)[C@@H](C2=Nc3ccccc3S(=O)(=O)N2)C(=O)[C@@H]1C(C)(C)C ZINC000169719337 HF Annotated Anodyne CC(C)(C)CCN1C(=O)[C@H](C2=Nc3ccccc3S(=O)(=O)N2)C(=O)[C@@H]1C(C)(C)C ZINC000169719338 HF Annotated Anodyne O=C1C=C2S[C@H]3C[C@]2(C=C1Br)[C@H]1C(=N3)C(=O)c2[nH]cc3c2C1=NCC3 ZINC000169721123 HF Annotated Mild O=C1C=C2S[C@H]3C[C@]2(C=C1Br)[C@@H]1C(=N3)C(=O)c2[nH]cc3c2C1=NCC3 ZINC000169721124 HF Annotated Mild Cc1c(O)n(-c2ccc(S(C)(=O)=O)cc2)c(=O)n1Cc1ccnc2ccccc12 ZINC000169724684 HF Annotated Anodyne O=C1Nc2c(c(=O)nc3sc([N+](=O)[O-])cn23)[C@@H](c2ccccc2C(F)(F)F)N1 ZINC000169729544 HF Annotated Bother O=C1Nc2c(c(=O)nc3sc([N+](=O)[O-])cn23)[C@H](c2ccccc2C(F)(F)F)N1 ZINC000169729545 HF Annotated Bother CC(C)OCCOc1nc(Oc2ccc3c(c2)COB3O)cc(C(F)(F)F)c1C#N ZINC000169938789 HF Annotated Mild CC(=O)CCCOc1nc(Oc2ccc3c(c2)COB3O)cc(C(F)(F)F)c1C#N ZINC000169938792 HF Annotated Mild Cc1cc(Oc2nc(OCCOC(C)C)c(C#N)cc2Cl)cc2c1B(O)OC2 ZINC000169938799 HF Annotated Mild CC(=O)CCCOc1nc(Oc2cc(C)c3c(c2)COB3O)c(Cl)cc1C#N ZINC000169938802 HF Annotated Mild CC(C)OCCOc1nc(Oc2cc(F)c3c(c2)COB3O)c(Cl)cc1C#N ZINC000169938805 HF Annotated Mild CC(=O)CCCOc1nc(Oc2cc(F)c3c(c2)COB3O)c(Cl)cc1C#N ZINC000169938808 HF Annotated Mild COc1ccc(C2=NN=C/C2=C\NNC(=O)c2ccc(Br)o2)cc1OC ZINC000017091749 HF Annotated Reactive CCOC(=O)Cn1/c(=N/N=C/c2ccc([N+](=O)[O-])o2)sc2cc(OC)ccc21 ZINC000017142133 HF Annotated Mild COc1ccc2c(c1)C=C([N+](=O)[O-])[C@H]([C@@H]1OC(C)(C)O[C@@H]1[C@@H]1COC(C)(C)O1)O2 ZINC000017176483 HF Annotated Anodyne COc1ccc2c(c1)C=C([N+](=O)[O-])[C@@H]([C@H]1OC(C)(C)O[C@@H]1[C@@H]1COC(C)(C)O1)O2 ZINC000017176484 HF Annotated Anodyne Cc1nc(C(N)=S)sc1C(=O)C/C(=N/N)C(=O)Nc1cccc(Cl)c1C ZINC000017216136 HF Annotated Mild COc1cc(COC(=O)N[C@@H](Cc2cccs2)C(=O)O)c([N+](=O)[O-])cc1OC ZINC000017220494 HF Annotated Bother CCN(CC)C(=S)N/N=C(/C)c1cccc(/C(C)=N\NC(=S)N(CC)CC)n1 ZINC000017253089 HF Annotated Mild COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)[C@]2(O)CCCC[C@H]2N=3)cc1 ZINC000017255569 HF Annotated Anodyne COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)[C@]2(O)CCCC[C@@H]2N=3)cc1 ZINC000017255577 HF Annotated Anodyne Cc1ccnc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)c1 ZINC000017297365 HF Annotated Reactive Cc1ccnc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 ZINC000017297367 HF Annotated Reactive Cc1cccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)n1 ZINC000017307087 HF Annotated Reactive Cc1cccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)n1 ZINC000017307090 HF Annotated Reactive CC1(C)CC(=O)C(/C=N/CCN2CCN(C(=O)c3ccc(F)cc3)CC2)=C(O)C1 ZINC000017478824 HF Annotated Mild CN1C[C@@H]2C(C(=O)OC(C)(C)C)=NCN2c2ccc(C#C[Si](C)(C)C)cc2C1=O ZINC000170098881 HF Annotated Mild CN1C[C@H]2C(C(=O)OC(C)(C)C)=NCN2c2ccc(C#C[Si](C)(C)C)cc2C1=O ZINC000170098885 HF Annotated Mild C[Si](C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000170125969 HF Annotated Anodyne COC(=O)c1c/c(=N\NC(=O)CC(=O)Nc2ccccc2Cl)c2ccccc2o1 ZINC000018008514 HF Annotated Reactive CNC(=O)c1cc(NC2=NNC(=C3C=CC(=O)C=C3)c3ccccc32)ccc1OC ZINC000018037228 HF Annotated Mild O=C1C(Sc2nc[nH]n2)=C/C(=N\S(=O)(=O)c2cccs2)c2ccccc21 ZINC000018081830 HF Annotated Mild CCOC(=O)/C=C1\SCC(=O)N1Cc1nnc(-c2ccccc2Br)o1 ZINC000018103022 HF Annotated Anodyne aggregator CC(=O)N1CCN(CC/N=C/C2=C(O)C[C@@H](c3ccc(Cl)cc3)CC2=O)CC1 ZINC000018166814 HF Annotated Mild Cc1ccccc1-n1c(SCc2cc(=O)n3ccccc3n2)nc2[nH]ncc2c1=O ZINC000018178095 HF Annotated Anodyne CCOC(=O)C1=C(COC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)NC(=O)N[C@@H]1C ZINC000018283715 HF Annotated Anodyne CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000018323415 HF Annotated Anodyne Cc1ccc2nc(N3CCN(Cc4nnnn4C4CCCC4)CC3)c(C#N)cc2c1 ZINC000019221166 HF Annotated Mild Cc1ccc2nc(N3CCN(Cc4nnnn4Cc4ccccc4)CC3)c(C#N)cc2c1 ZINC000019221173 HF Annotated Mild Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CCOCC3)c(=O)[nH]c2c1C ZINC000019234206 HF Annotated Anodyne O=C(Nc1ccc2c(c1)CN(Cc1cccn1-c1ncccn1)CC2)[C@@H]1CCCO1 ZINC000019336552 HF Annotated Anodyne O=C(Nc1ccc2c(c1)CN(Cc1cccn1-c1ncccn1)CC2)[C@H]1CCCO1 ZINC000019336557 HF Annotated Anodyne O=C(c1ccco1)N1CCN([C@@H](c2cccs2)c2nnnn2C2CCCC2)CC1 ZINC000019342108 HF Annotated Anodyne O=C(c1ccco1)N1CCN([C@H](c2cccs2)c2nnnn2C2CCCC2)CC1 ZINC000019342111 HF Annotated Anodyne CCC(C)(C)n1nnnc1CN1CCN(c2nc3ccc(C)cc3cc2C#N)CC1 ZINC000019499755 HF Annotated Mild CCC(C)(C)n1nnnc1CN1CCN(c2nc3cc(OC)ccc3cc2C#N)CC1 ZINC000019499756 HF Annotated Mild C=CCNC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000194868790 HF Annotated Mild C=CCNC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@@H]1C(=O)OCC[Si](C)(C)C ZINC000194868828 HF Annotated Mild C=CCNC(=O)[C@H]1[C@@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000194868838 HF Annotated Mild C=CCNC(=O)[C@H]1[C@@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@@H]1C(=O)OCC[Si](C)(C)C ZINC000194868855 HF Annotated Mild CCCC[C@@]1(C(=O)OC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019502179 HF Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21 ZINC000019529802 HF Annotated Anodyne COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(C)CC2)c(OC)c1 ZINC000019589893 HF Annotated Anodyne COc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(C)CC2)c(OC)c1 ZINC000019589894 HF Annotated Anodyne COc1ccc(OCc2cc(C(=O)NCC(C)(C)N3CCOCC3)no2)c(Cl)c1 ZINC000019635257 HF Annotated Anodyne CC1(C)CC(=O)C(/C=N/CCN2CCN([C@@H]3OC(=O)c4ccccc43)CC2)=C(O)C1 ZINC000019815124 HF Annotated Mild CC1(C)CC(=O)C(/C=N/CCN2CCN([C@H]3OC(=O)c4ccccc43)CC2)=C(O)C1 ZINC000019815127 HF Annotated Mild Cc1nc(C)c(CC(=O)N2CCOc3ccc(CN4CCOCC4)cc3C2)s1 ZINC000019838869 HF Annotated Anodyne CC(C)CCN1CCN(C2CCN(c3ccc4c(c3)OCO4)CC2)C[C@@H]1CCO ZINC000019839830 HF Annotated Clean CC/N=C(\S)N1CCN(CC/N=C/C2=C(O)C[C@H](c3ccccc3)CC2=O)CC1 ZINC000019840876 HF Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(-n3cc(C#C[Si](C)(C)C)cn3)c(F)c2)C(=O)O1 ZINC000195054786 HF Annotated Mild O=S(=O)(c1ccccc1Cl)N1C=Cc2cc(Br)sc2B1O ZINC000195063327 HF Annotated Anodyne Cc1ccc(C)n1-c1ccc(C(=O)NN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)cc1 ZINC000195091600 HF Annotated Clean Cc1ccc(C)n1-c1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 ZINC000195091610 HF Annotated Clean Cc1ccc(C)n1-c1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 ZINC000195091622 HF Annotated Clean Cc1ccc(C)n1-c1ccc(C(=O)NN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)cc1 ZINC000195091634 HF Annotated Clean O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1N=Cc2c(F)cccc2B1O ZINC000195119052 HF Annotated Anodyne O=C(NC[C@@H]1N=Cc2cncnc21)[C@@H](c1ccccc1)N1C(=O)C[C@H]1c1ccccc1 ZINC000195129896 HF Annotated Anodyne O=C(NC[C@@H]1N=Cc2cncnc21)[C@H](c1ccccc1)N1C(=O)C[C@H]1c1ccccc1 ZINC000195129905 HF Annotated Anodyne COc1cccc2c1O[C@H]1C=C(OC[C@@]3(C)CO3)C=C(OC[C@@]3(C)CO3)[C@H]1C2=O ZINC000195186306 HF Annotated Anodyne COc1cccc2c1O[C@@H]1C=C(OC[C@@]3(C)CO3)C=C(OC[C@@]3(C)CO3)[C@H]1C2=O ZINC000195186324 HF Annotated Anodyne O=C1C=CC2(Oc3cccc4cccc(c34)O2)C2=C1[C@@H](O)[C@@H]1[C@@H]3C=C[C@H](C3)[C@@H]1[C@H]2O ZINC000195196085 HF Annotated Mild O=C1C=CC2(Oc3cccc4cccc(c34)O2)C2=C1[C@@H](O)[C@H]1[C@@H]3C=C[C@H](C3)[C@@H]1[C@H]2O ZINC000195196099 HF Annotated Mild CO[C@@H]1CC[C@]2(C)OC(=O)[C@H](C)[C@@H]3CC[C@@](C)(OC(C)=O)[C@@H]4[C@H]3[C@H]2O[C@@H]4C[C@@]1(C)O ZINC000195198159 HF Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2CC(=O)C([C@H](C)C(=O)OC)=C[C@]2(C)[C@@H]1C(=O)OC ZINC000195211414 HF Annotated Mild CC(=O)NC(CCc1ccc(C#C[Si](C)(C)C)cc1)(COC(C)=O)COC(C)=O ZINC000195226131 HF Annotated Mild COC1(OC)N=C(NC(=O)Nc2ccccc2)[C@]2(C#N)[C@@H](c3ccccc3)[C@@]12C#N ZINC000195246300 HF Annotated Mild COC1(OC)N=C(NC(=O)Nc2ccccc2)[C@]2(C#N)[C@H](c3ccccc3)[C@@]12C#N ZINC000195246316 HF Annotated Mild COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)NCc2cccnc2)c1 ZINC000195316054 HF Annotated Anodyne COc1ccc(OC)c(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)NCc2cccnc2)c1 ZINC000195316066 HF Annotated Anodyne COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)NCc2ccccn2)c1 ZINC000195333471 HF Annotated Anodyne COc1ccc(OC)c(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)NCc2ccccn2)c1 ZINC000195333480 HF Annotated Anodyne O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21)Oc1ccc(Br)cc1 ZINC000195340514 HF Annotated Anodyne O[C@]1(c2c(F)c(F)c(F)c(F)c2F)[C@H]2[C@@H]3C[C@@H]4[C@H]5[C@H](Br)[C@@](O)([C@H]42)[C@@H]1[C@@H]35 ZINC000195354604 HF Annotated Reactive O[C@]1(c2c(F)c(F)c(F)c(F)c2F)[C@@H]2[C@@H]3[C@@H]4C[C@@H]2[C@H]2[C@@H]4[C@H](Br)[C@]3(O)[C@H]21 ZINC000195354616 HF Annotated Reactive O[C@]1(c2c(F)c(F)c(F)c(F)c2F)[C@H]2[C@@H]3C[C@H]4[C@H]5[C@H](Br)[C@@](O)([C@@H]24)[C@@H]1[C@@H]35 ZINC000195354629 HF Annotated Reactive O[C@]1(c2c(F)c(F)c(F)c(F)c2F)[C@@H]2[C@@H]3[C@H]4C[C@@H]2[C@H]2[C@@H]4[C@H](Br)[C@]3(O)[C@H]21 ZINC000195354639 HF Annotated Reactive O=C1Nc2ccccc2[C@]12[C@@H]1CCCN1[C@]1(C(=O)Nc3ccccc31)[C@@H]1CCCN12 ZINC000195406188 HF Annotated Anodyne O=S(=O)(c1ccccc1)N1C[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]21 ZINC000195432821 HF Annotated Reactive CC(C)c1nnc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000195447810 HF Annotated Anodyne CC(C)c1nnc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)s1 ZINC000195447816 HF Annotated Anodyne C=C(C)[C@@H]1c2cc(C(=O)OC)c(o2)C[C@@H](C(=C)C)[C@@H](O)/C=C2\C(=O)O[C@@H]1[C@@H]2N(C)C ZINC000195492816 HF Annotated Mild C=C(C)[C@@H]1c2cc(C(=O)OC)c(o2)C[C@H](C(=C)C)[C@@H](O)/C=C2\C(=O)O[C@@H]1[C@@H]2N(C)C ZINC000195492821 HF Annotated Mild CC1=C[C@@H]2/C=C(\C)CC[C@@H](O)[C@@H](O)/C=C/C(=O)[C@@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000195496804 HF Annotated Mild C=C(C)C(=O)O[C@H]1C[C@@H](C)[C@]2(OC)CC[C@](C)(/C=C3\OC(=O)C(COC(C)=O)=C31)O2 ZINC000195522506 HF Annotated Mild CC1=C[C@@H]2[C@@H]3[C@H](CC(=O)[C@]24C(=O)N[C@@H](CC(C)C)[C@@H]4[C@@H]1C)[C@@H]1O[C@@]3(C)CC[C@H]1O ZINC000195872903 HF Annotated Anodyne O=c1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c(=O)n1-c1ccccc1 ZINC000197883503 HF Annotated Anodyne C=CCC1=C[C@@]2(OC)[C@@H](C)[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@](OC)(C1=O)[C@@H]2O ZINC000197983652 HF Annotated Mild C=CCC1=C[C@@]2(OC)[C@@H](C)[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@](OC)(C1=O)[C@H]2O ZINC000197983659 HF Annotated Mild CC[C@@H](C)C1=C2N=C3OC=CC=C[C@]3(OC)C(=O)N2[C@@H](Cc2ccccc2)C(=O)N1 ZINC000198361708 HF Annotated Anodyne CC(C)[C@](O)(C[C@@H]1C(=O)/C(=C(\O)[C@@H]2[C@H](C)C=C[C@@H]3CCCC[C@H]32)C(=O)N1C)C(=O)O ZINC000198822207 HF Annotated Mild Cc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2c1CCN2CCN1CCCC1 ZINC000199008068 HF Annotated Anodyne COCCNC(=O)c1cc2c(Br)ccc(Br)c2nc1N ZINC000199201981 HF Annotated Anodyne C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(Cc2ccccc2)C1=O ZINC000199206268 HF Annotated Mild O=C(Nc1ccc2c(c1)OCCO2)[C@H]1c2ccccc2OCC(=O)N1CC(F)(F)F ZINC000199206537 HF Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1c2ccccc2OCC(=O)N1CC(F)(F)F ZINC000199206553 HF Annotated Anodyne C[C@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1Cc1ccc(F)cc1 ZINC000199213561 HF Annotated Anodyne C[C@@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1Cc1ccc(F)cc1 ZINC000199213581 HF Annotated Anodyne COc1ccc(CCN2C(=O)CC[C@]2(C)c2nnnn2Cc2ccccc2)cc1OC ZINC000199214143 HF Annotated Anodyne COc1ccc(CCN2C(=O)CC[C@@]2(C)c2nnnn2Cc2ccccc2)cc1OC ZINC000199214160 HF Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)N1CCCC1)C2 ZINC000199218196 HF Annotated Anodyne COCc1cn(C[C@H](C)n2c(=O)c3ccccc3n2Cc2cc(C(C)C)no2)nn1 ZINC000199229272 HF Annotated Anodyne COCc1cn(C[C@@H](C)n2c(=O)c3ccccc3n2Cc2cc(C(C)C)no2)nn1 ZINC000199229284 HF Annotated Anodyne C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCCC=C2N(Cc2ccccc2)C1=O ZINC000199244098 HF Annotated Mild C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CC(C)(C)CC=C2N(Cc2ccco2)C1=O ZINC000199245201 HF Annotated Mild CCOC(=O)N1CCN([C@H](C(=O)NC2CCCC2)c2cccc(OC)c2OC)CC1 ZINC000199247762 HF Annotated Anodyne CCOC(=O)N1CCN([C@@H](C(=O)NC2CCCC2)c2cccc(OC)c2OC)CC1 ZINC000199247776 HF Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCCC1 ZINC000199248627 HF Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCCC1 ZINC000199248642 HF Annotated Anodyne CCOC(=O)CNC(=O)N1Cc2cc(-c3ccc(OC)cc3)ccc2-n2nncc2C1 ZINC000199388490 HF Annotated Anodyne Cc1c(-c2ccc(C(=O)N3CCN(C)CC3)cc2)c(=O)oc2c(C=O)c(O)ccc12 ZINC000199598876 HF Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)CCC4)cc(OC)c1O ZINC000199664958 HF Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)CCC4)cc(OC)c1O ZINC000199664972 HF Annotated Anodyne COc1ccc([C@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)CCC4)cc1OC ZINC000199669582 HF Annotated Anodyne COc1ccc([C@@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)CCC4)cc1OC ZINC000199669600 HF Annotated Anodyne COc1ccc(N2C[C@@]3(O)CC[C@@H](O)[C@@H](OC)[C@@H]3[C@@]2(C)[C@H](O)CC=C(C)C)cc1 ZINC000199723580 HF Annotated Clean COc1ccc(CN2C[C@@]3(O)CC[C@@H](O)[C@@H](OC)[C@@H]3[C@@]2(C)[C@H](O)CC=C(C)C)cc1 ZINC000199724128 HF Annotated Anodyne COc1ccc(N2C[C@@]3(O)CC[C@@H](O)[C@@H](OC)[C@@H]3[C@@](C)(O)[C@@H]2CC=C(C)C)cc1 ZINC000199724194 HF Annotated Clean COc1ccc(CN2C[C@@]3(O)CC[C@@H](O)[C@@H](OC)[C@@H]3[C@@](C)(O)[C@@H]2CC=C(C)C)cc1 ZINC000199724212 HF Annotated Anodyne COCCNC(=S)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1ccccc1Br ZINC000199734366 HF Annotated Anodyne COC(=O)N1C[C@@H]2Oc3nccnc3O[C@@H]2C[C@@H]1c1ccccc1Br ZINC000199735267 HF Annotated Anodyne C[C@@H](/C(O)=N/C[C@H]1CCCO1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O ZINC000002111042 HF Annotated Mild C[C@@H](/C(O)=N/C[C@@H]1CCCO1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O ZINC000002111043 HF Annotated Mild Cc1cc(OCC(=O)NCC2CCC(C(=O)O)CC2)c2c3c(c(=O)oc2c1)CCC3 ZINC000002113237 HF Annotated Anodyne Cc1c(OCC(=O)NCC2CCC(C(=O)O)CC2)ccc2c3c(c(=O)oc12)CCC3 ZINC000002115530 HF Annotated Anodyne CC(C)[C@@H](C(=O)N1CCCC1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O ZINC000002130459 HF Annotated Anodyne Cc1ccc(C(=O)[C@H](C)OC(=O)CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)cc1 ZINC000002312873 HF Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000002337198 HF Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000002337209 HF Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCCCC3)c21 ZINC000002456166 HF Annotated Anodyne O=C(NCc1ccccc1)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000002458815 HF Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccc(F)cc3)[C@H]4C2=O)cc1 ZINC000002458819 HF Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCc3ccco3)c21 ZINC000002458917 HF Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCCC3)c21 ZINC000002459234 HF Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2 ZINC000002459260 HF Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2 ZINC000002459261 HF Annotated Anodyne O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCCC3)c21 ZINC000002459313 HF Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NCc2cccnc2)C[C@@H]1C ZINC000002459332 HF Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NCc2cccnc2)C[C@H]1C ZINC000002459333 HF Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NC2CCCC2)C[C@@H]1C ZINC000002459340 HF Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NC2CCCC2)C[C@H]1C ZINC000002459341 HF Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)N2CCCCC2)C[C@@H]1C ZINC000002459397 HF Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)N2CCCCC2)C[C@H]1C ZINC000002459398 HF Annotated Anodyne O=C(NCc1ccc(F)cc1)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 ZINC000002460774 HF Annotated Anodyne CC(=O)c1ccc(N2CCN(C(=O)Cc3c(C(=O)O)[nH]c4ccccc34)CC2)cc1 ZINC000002461802 HF Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000002464835 HF Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000002464837 HF Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000002464841 HF Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000002464843 HF Annotated Anodyne O=C(CCNS(=O)(=O)c1ccc(Br)s1)Nc1ccc(F)cc1 ZINC000002465377 HF Annotated Anodyne Cn1cc(C(=O)N2CCN(c3ccccc3)CC2)c2c3ccccc3n(C)c2c1=O ZINC000002465427 HF Annotated Anodyne CC1CCN(C(=O)Cn2c(=O)n(-c3cc(F)ccc3F)c(=O)c3sccc32)CC1 ZINC000002466686 HF Annotated Anodyne O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2sccc21)N1CCCCCC1 ZINC000002466717 HF Annotated Anodyne CC1CCN(C(=O)Cn2c(=O)n(-c3ccc(F)cc3F)c(=O)c3sccc32)CC1 ZINC000002466787 HF Annotated Anodyne Cc1cccc2nc(Cn3c(=O)n(C4CCCC4)c(=O)c4ccccc43)cc(=O)n12 ZINC000002467783 HF Annotated Anodyne O=C(Cn1c(=O)n(C[C@H]2CCCO2)c(=O)c2ccccc21)c1ccc(Cl)s1 ZINC000002467852 HF Annotated Anodyne O=C(Cn1c(=O)n(C[C@@H]2CCCO2)c(=O)c2ccccc21)c1ccc(Cl)s1 ZINC000002467854 HF Annotated Anodyne CN(CC(=O)Nc1ccccc1F)S(=O)(=O)c1ccc(Br)s1 ZINC000002469147 HF Annotated Anodyne CCN(CC)C(=O)Cn1cnc2sc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(C)c2c1=O ZINC000002477369 HF Annotated Anodyne CCN(CC)C(=O)Cn1cnc2sc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(C)c2c1=O ZINC000002477370 HF Annotated Anodyne CCN(CC)C(=O)Cn1cnc2sc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(C)c2c1=O ZINC000002477372 HF Annotated Anodyne Cc1c(C(=O)N2CCCCC2)sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c12 ZINC000002477409 HF Annotated Anodyne Cc1c(C(=O)N2CCCCC2)sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c12 ZINC000002477411 HF Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCO)c(OC)c1OC ZINC000002480244 HF Annotated Anodyne O=C(NCCO)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002480263 HF Annotated Bother COc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCCOCCO ZINC000002480334 HF Annotated Anodyne COc1ccc(-c2noc(-c3ccccc3OC)c2C(=O)NCCOCCO)cc1 ZINC000002481003 HF Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCCO)c(OC)c1OC ZINC000002483129 HF Annotated Anodyne O=C(NCCO)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002483166 HF Annotated Bother COc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCCOCCO ZINC000002483254 HF Annotated Anodyne COCCNC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000002483843 HF Annotated Bother CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NCCOCCO ZINC000002483912 HF Annotated Bother CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(C)=O)CC(C)(C)O2 ZINC000002487210 HF Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(C)=O)CC(C)(C)O2 ZINC000002487211 HF Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(C)=O)CC(C)(C)O2 ZINC000002487212 HF Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(C)=O)CC(C)(C)O2 ZINC000002487213 HF Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(C)=O)CC(C)(C)O2 ZINC000002487222 HF Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(C)=O)CC(C)(C)O2 ZINC000002487224 HF Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000002487240 HF Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000002487241 HF Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000002487284 HF Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000002487285 HF Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000002487287 HF Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000002487289 HF Annotated Anodyne COCCCN[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000002487608 HF Annotated Anodyne COCCCN[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000002487609 HF Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(C)=O)CC(C)(C)O2 ZINC000002487752 HF Annotated Anodyne O=C(CN1CC(=O)Oc2ccccc21)OCC(=O)c1cccc(Br)c1 ZINC000002487895 HF Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC(C)(C)O2 ZINC000002488135 HF Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC(C)(C)O2 ZINC000002488137 HF Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002491987 HF Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002491989 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCO ZINC000002493087 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000002493293 HF Annotated Anodyne Cc1sc2ncn(CC(=O)NCCCC(=O)NC3CCCCCC3)c(=O)c2c1C ZINC000002493839 HF Annotated Anodyne CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002494953 HF Annotated Anodyne CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000002494954 HF Annotated Anodyne O=C(NCCC1=CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nonc23)C1 ZINC000002498960 HF Annotated Anodyne O=C(NCCC1=CCCCC1)[C@H]1CCCN(S(=O)(=O)c2cccc3nonc23)C1 ZINC000002498963 HF Annotated Anodyne Cc1ccc2occ([C@H](c3nnnn3Cc3ccccc3)N3CCOCC3)c(=O)c2c1 ZINC000020098659 HF Annotated Anodyne Cc1ccc2occ([C@@H](c3nnnn3Cc3ccccc3)N3CCOCC3)c(=O)c2c1 ZINC000020098661 HF Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCc3ccccc3)[C@@H]4C2=O)cc1 ZINC000020113585 HF Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccc(F)cc3)[C@@H]4C2=O)cc1 ZINC000020113590 HF Annotated Anodyne O=C(c1ccc2nc3ccsc3c(=O)n2c1)N1CCN(Cc2ccccc2)CC1 ZINC000020130919 HF Annotated Anodyne COCCNC(=O)CN(C(=O)c1ccc(N2CCCC2)nc1)c1ccc(Cl)cc1 ZINC000020143238 HF Annotated Anodyne CCOC(=O)[C@@]1(Cc2ccccc2)N[C@@H](c2ccccc2F)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000020150863 HF Annotated Anodyne CCOC(=O)[C@@]1(Cc2ccccc2)N[C@H](c2ccccc2F)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000020150867 HF Annotated Anodyne Cc1sc2c(c1C)c(=O)n(CCc1ccccc1)c(=O)n2CC(=O)N1CCCC1 ZINC000020151716 HF Annotated Anodyne CCN1CCN(C(=O)C2CCN(C(=O)c3cc4sccc4n3CC)CC2)CC1 ZINC000020383035 HF Annotated Anodyne CC1CCN(c2c(NCC3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)c(=O)c2=O)CC1 ZINC000020418520 HF Annotated Anodyne CC1CCN(c2c(NCC3CCC(C(=O)N4CCC[C@H](C)C4)CC3)c(=O)c2=O)CC1 ZINC000020418522 HF Annotated Anodyne CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1N1CCN(C(=O)c2ccco2)CC1 ZINC000020465644 HF Annotated Anodyne CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1N1CCN(C(=O)c2ccco2)CC1 ZINC000020465803 HF Annotated Anodyne C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@H]4[C@H](O)O[C@@H](OC)[C@]234)[C@@H]1OC(C)=O ZINC000200041676 HF Annotated Mild COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C2=C1C(=O)C[C@@](C)(C(=O)OC(C)(C)C)C2 ZINC000200548349 HF Annotated Mild COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C2=C1C(=O)C[C@](C)(C(=O)OC(C)(C)C)C2 ZINC000200548386 HF Annotated Mild COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C2=C1C(=O)C[C@@](C)(C(=O)OC(C)(C)C)C2 ZINC000200548419 HF Annotated Mild COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C2=C1C(=O)C[C@](C)(C(=O)OC(C)(C)C)C2 ZINC000200548457 HF Annotated Mild Cc1sc2nc(COC(=O)CNC(=O)c3ccccc3Cl)[nH]c(=O)c2c1C ZINC000201451788 HF Annotated Anodyne Cc1sc2nc(COC(=O)CNC(=O)c3ccc(F)cc3Cl)[nH]c(=O)c2c1C ZINC000201451887 HF Annotated Anodyne Cc1nc2ccc(S(=O)(=O)NCC(=O)N(C)Cc3ccccc3F)cc2s1 ZINC000201452040 HF Annotated Anodyne Cc1nc2ccc(S(=O)(=O)NCC(=O)N(C)Cc3ccc(F)cc3)cc2s1 ZINC000201452084 HF Annotated Anodyne O=C(NCc1ccc(F)c(F)c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 ZINC000201452884 HF Annotated Anodyne O=C(NCc1c(F)cccc1F)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 ZINC000201453203 HF Annotated Anodyne CCn1cc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)c(=O)c2ccc(C)nc21 ZINC000201460043 HF Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)N2CCC(c3cn4ccccc4n3)CC2)c1 ZINC000201465303 HF Annotated Anodyne Cc1ccccc1NC(=O)COC(=O)c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1 ZINC000201471637 HF Annotated Bother Brc1ccc(Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)cc1 ZINC000201477325 HF Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCCOC)C(=O)[C@@H]2CC(=O)N1CCCCC1 ZINC000201480635 HF Annotated Anodyne CC[C@]1(OC)CC[C@@]2(CO1)[C@H]1CCC3=C4[C@H](CC3=O)[C@H](C(=O)OC)C[C@]42CN(C)C1 ZINC000203453508 HF Annotated Mild CC[C@@]1(OC)CC[C@@]2(CO1)[C@H]1CCC3=C4[C@H](CC3=O)[C@H](C(=O)OC)C[C@]42CN(C)C1 ZINC000203453514 HF Annotated Mild CC[C@]1(OC)CC[C@@]2(CO1)[C@H]1CCC3=C4[C@@H](CC3=O)[C@H](C(=O)OC)C[C@]42CN(C)C1 ZINC000203453520 HF Annotated Mild COC(=O)[C@@H]1C[C@]23CN(C)C[C@H](CCC4=C2[C@H]1CC4=O)[C@]31CC[C@@](O)(C(C)C)OC1 ZINC000203454028 HF Annotated Mild COCCCN1C(=O)[C@H](CC(=O)NCCC(C)C)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203464175 HF Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)N2CCCCC2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203464305 HF Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)NCCCOC)[C@]2(C(=O)OCC)CCCCCC=C12 ZINC000203464752 HF Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)N2CCSCC2)[C@]2(C(=O)OCC)CCCCCC=C12 ZINC000203464852 HF Annotated Mild COc1ccc(OC)c(CN2C(=O)CSC[C@]2(C)c2nnnn2C2CCCC2)c1 ZINC000203465359 HF Annotated Anodyne COc1ccc(OC)c(CN2C(=O)CSC[C@@]2(C)c2nnnn2C2CCCC2)c1 ZINC000203465365 HF Annotated Anodyne C[C@]1(c2nnnn2C2CCCCC2)CSCC(=O)N1CCc1ccc(O)cc1 ZINC000203465384 HF Annotated Anodyne C[C@@]1(c2nnnn2C2CCCCC2)CSCC(=O)N1CCc1ccc(O)cc1 ZINC000203465388 HF Annotated Anodyne CCCCn1nnnc1[C@@H]1c2ccccc2OCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000203465652 HF Annotated Anodyne CCCCn1nnnc1[C@H]1c2ccccc2OCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000203465657 HF Annotated Anodyne C=CCN1C(=O)[C@H](CC(=O)NCc2ccc(C)o2)[C@@]2(C(=O)OCC)CCCC=C12 ZINC000203466592 HF Annotated Mild C=CCN1C(=O)[C@H](CC(=O)NCCCOCCCC)[C@@]2(C(=O)OCC)CCCC=C12 ZINC000203466600 HF Annotated Mild COC(=O)[C@@]12CCCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)NCc1cccs1 ZINC000203468952 HF Annotated Anodyne COC(=O)[C@@]12CCCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)NCc1ccc(C)o1 ZINC000203469051 HF Annotated Anodyne CCCCOCCCNC(=O)C[C@@H]1C(=O)N2CCCC3=C2[C@@]1(C(=O)OC)CCCC3 ZINC000203469055 HF Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)NCc2ccc(C)o2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203469304 HF Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)NCCCOCCCC)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203469309 HF Annotated Mild COc1ccc(S[C@]2(C(=O)N(C)C)CC(=O)N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470034 HF Annotated Anodyne CCOC(=O)[C@@]12CCC3=C1N(CCC3)C(=O)[C@H](CC(=O)NCc1cccs1)C2 ZINC000203472339 HF Annotated Anodyne CCOC(=O)[C@@]12CCC3=C1N(CCC3)C(=O)[C@H](CC(=O)NCc1ccc(C)o1)C2 ZINC000203472427 HF Annotated Anodyne CCCCOCCCNC(=O)C[C@@H]1C[C@]2(C(=O)OCC)CCC3=C2N(CCC3)C1=O ZINC000203472434 HF Annotated Anodyne CCOC(=O)[C@]12CCCC3=C1N(CCC3)C(=O)[C@@H](CC(=O)N1CCSCC1)C2 ZINC000203472507 HF Annotated Anodyne CCOC(=O)[C@@]12CCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)NCc1cccs1 ZINC000203472588 HF Annotated Anodyne CCOC(=O)[C@@]12CCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)NCc1ccc(C)o1 ZINC000203472656 HF Annotated Anodyne CCCCOCCCNC(=O)C[C@@H]1C(=O)N2CCCC3=C2[C@@]1(C(=O)OCC)CCC3 ZINC000203472662 HF Annotated Anodyne Brc1ccccc1Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1 ZINC000203474397 HF Annotated Anodyne CN1C(=O)N[C@H](Cc2c[nH]c3cc(Br)c(Br)cc23)C1=O ZINC000203704112 HF Annotated Anodyne CCOC[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)c(F)c3)c2n1 ZINC000203738176 HF Annotated Anodyne CC(C)[C@H](CO)NCc1ccnc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 ZINC000204412166 HF Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccc(F)c(CN[C@@H](CO)C(C)C)n1 ZINC000204414706 HF Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1F ZINC000204426270 HF Annotated Anodyne Cc1cccc(CCNC(=O)Cn2cnc3onc(-c4ccc(F)cc4)c3c2=O)c1 ZINC000020574377 HF Annotated Anodyne O=S(=O)(c1ccc(-c2cc(C(F)(F)F)no2)s1)N1CCC2(CC1)OCCO2 ZINC000020580977 HF Annotated Anodyne Cc1c(C(=O)NCCCN2CCOCC2)sc2ncnc(N3CCCC[C@H]3C)c12 ZINC000020757043 HF Annotated Anodyne Cc1c(C(=O)NCCCN2CCOCC2)sc2ncnc(N3CCCC[C@@H]3C)c12 ZINC000020757048 HF Annotated Anodyne CC(C)CS(=O)(=O)c1ncc(CN2C[C@H](C)O[C@H](C)C2)n1Cc1ccccc1 ZINC000020906161 HF Annotated Anodyne Cc1noc2ncnc(N3CCC(C(=O)NCCN(C)C4CCCCC4)CC3)c12 ZINC000020944906 HF Annotated Anodyne CC(C)(CNC(=O)CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)N1CCOCC1 ZINC000020994809 HF Annotated Anodyne CC(C)(CNC(=O)CC[C@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)N1CCOCC1 ZINC000020994811 HF Annotated Anodyne N#Cc1ccc(Nc2nn([C@H]3CC[C@H](NCC(F)F)C[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000205000826 HF Annotated Mild N#C[C@H]1C[C@@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000205018198 HF Annotated Mild CC1(C)C(=O)Nc2nc(-n3nc(Cc4ccccc4F)c4ncc(F)cc43)nnc21 ZINC000205090117 HF Annotated Anodyne O=C(NC1CCN(c2ccc(F)cc2)CC1)c1ccn(CC(F)(F)F)c(=O)c1O ZINC000205149595 HF Annotated Anodyne COc1ccc(-c2ccc3c(c2)COCC(=O)N3CCN2CCOCC2)cc1OC ZINC000205207220 HF Annotated Anodyne Cc1ccccc1CN1CCN2C(C(=O)Nc3ccc4c(c3)OCO4)=COC2=NC1=O ZINC000205209481 HF Annotated Anodyne O=C1N=C2OC(C(=O)N3CCCC3)=CN2CCN1Cc1ccccc1C(F)(F)F ZINC000205209789 HF Annotated Anodyne COc1ccc(-c2ccc3c(c2)N(CCN2CCOCC2)C(=O)COC3)cc1OC ZINC000205210198 HF Annotated Anodyne COc1ccc(F)cc1-c1ccc2c(c1)N(CCN1CCOCC1)C(=O)COC2 ZINC000205211739 HF Annotated Anodyne O=C(NCC1CC1)C1=CN2CCN(Cc3ccccc3C(F)(F)F)C(=O)N=C2O1 ZINC000205212210 HF Annotated Anodyne Cc1ccccc1CN1CCN2C(C(=O)Nc3cccc(C#N)c3)=COC2=NC1=O ZINC000205212287 HF Annotated Mild Cc1noc(C)c1CN1CCN2C=C(C(=O)N[C@@H]3CCc4ccccc43)OC2=NC1=O ZINC000205212460 HF Annotated Anodyne Cc1noc(C)c1CN1CCN2C=C(C(=O)N[C@H]3CCc4ccccc43)OC2=NC1=O ZINC000205212470 HF Annotated Anodyne O=C(NCC1CC1)C1=COC2=NC(=O)N(Cc3ccccc3C(F)(F)F)CCN12 ZINC000205212533 HF Annotated Anodyne COCCNC(=O)C(C)(C)n1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)cn1 ZINC000205215008 HF Annotated Anodyne COc1ccc(OCCNC(=O)C(C)(C)n2cc(-c3cccc(OC)n3)cn2)cc1 ZINC000205217854 HF Annotated Anodyne COc1ccc(F)cc1-c1ccc2c(c1)COCC(=O)N2CCN1CCOCC1 ZINC000205218129 HF Annotated Anodyne Cc1ccccc1CN1CCN2C(C(=O)NCCc3ccccc3)=COC2=NC1=O ZINC000205219803 HF Annotated Anodyne CC(=O)Nc1ccc(NC(=O)C2=COC3=NC(=O)N(Cc4ccccc4)CCN23)cc1 ZINC000205224870 HF Annotated Anodyne O=C(N[C@@H]1CCc2ccccc21)C1=COC2=NC(=O)N(Cc3ccccc3)CCN12 ZINC000205224897 HF Annotated Anodyne O=C(N[C@H]1CCc2ccccc21)C1=COC2=NC(=O)N(Cc3ccccc3)CCN12 ZINC000205224910 HF Annotated Anodyne COc1cccc(CN2CCN3C(C(=O)Nc4cccc(C#N)c4)=COC3=NC2=O)c1 ZINC000205225667 HF Annotated Mild COc1cc(F)ccc1-c1ccc2c(c1)COCC(=O)N2CCN1CCOCC1 ZINC000205226104 HF Annotated Anodyne CCCc1ccc(C(=O)N2Cc3nnc(C(=O)NC)n3[C@H](c3ccccc3)C2)cc1 ZINC000205230695 HF Annotated Anodyne CCCc1ccc(C(=O)N2Cc3nnc(C(=O)NC)n3[C@@H](c3ccccc3)C2)cc1 ZINC000205230717 HF Annotated Anodyne O=C(c1nnc2n1CCN(Cc1ccc(OC(F)(F)F)cc1)C2)N1CCCCC1 ZINC000205233115 HF Annotated Anodyne COc1ccc(NC(=O)C2=CN3CCN(Cc4ccccc4C)C(=O)N=C3O2)cn1 ZINC000205235162 HF Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)C1=COC2=NC(=O)N(Cc3ccccc3)CCN12 ZINC000205235254 HF Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1CC[C@@](C)([C@H]2CC[C@@]3(C)O[C@H]3C2=O)O[C@@]1(C)COC(C)=O ZINC000205251476 HF Annotated Anodyne COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@]3(OC)c2cc(OC)c(O)c(OC)c2)ccc1O ZINC000205264026 HF Annotated Anodyne Cn1c(O[C@@H]2CCCN(c3ccc(C#N)cc3)CC2)nc(-c2ccncn2)cc1=O ZINC000205413990 HF Annotated Anodyne Cn1c(O[C@H]2CCCN(c3ccc(C#N)cc3)CC2)nc(-c2ccncn2)cc1=O ZINC000205414958 HF Annotated Mild COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Oc3ccccc3)cc21 ZINC000205479253 HF Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(CCC(C)C)cc21 ZINC000205479277 HF Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(C3=CCCCC3)cc21 ZINC000205480920 HF Annotated Anodyne CC1=CC(=O)C[C@@H]2[C@]1(C)C[C@H](O)[C@H](C)[C@@]2(C)CC/C(C)=C/C(=O)OC[C@H](O)CO ZINC000205527419 HF Annotated Mild CC1=CC(=O)C[C@@H]2[C@]1(C)CC(=O)[C@H](C)[C@@]2(C)CC/C(C)=C/C(=O)OC[C@H](O)CO ZINC000205528223 HF Annotated Mild CC1=CC(=O)C[C@@H]2[C@]1(C)C[C@H](O)[C@H](C)[C@@]2(C)CC/C(C)=C/C(=O)OC(CO)CO ZINC000205528241 HF Annotated Mild Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(C)c(C)n4C)n2)cc1CN1CC(O)C1 ZINC000205610762 HF Annotated Anodyne in-vitro CC(=O)c1c[nH]c2ccc(Nc3nccc(-n4cc(CN5CC(O)C5)c(C)n4)n3)cc12 ZINC000205623393 HF Annotated Anodyne COc1ccc(C(=O)O[C@@H]2[C@H](O)[C@](C)(O)CC[C@]3(O)[C@@H](C(C)C)CC[C@]23C)cc1 ZINC000205676457 HF Annotated Anodyne O=C(NCc1ccc(Br)cc1)c1[nH]c(-c2ccc(F)cc2)nc(=O)c1O ZINC000205681223 HF Annotated Anodyne O=C(NCc1ccc(F)cc1)c1[nH]c(-c2ccc(Br)cc2)nc(=O)c1O ZINC000205694020 HF Annotated Anodyne C[C@H]1[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205713638 HF Annotated Bother C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ccccc1F ZINC000205787461 HF Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ccccc1F ZINC000205787476 HF Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1Cc1ccccc1 ZINC000205787838 HF Annotated Mild O=c1oc2cc(O)c3c(c2c2cc(O)c(O)cc12)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C3 ZINC000205816191 HF Annotated Clean COc1ccc(-n2nnnc2[C@@](C)(CCCCC(=O)O)NCC(F)(F)F)cc1 ZINC000205857598 HF Annotated Anodyne COc1ccc(-n2nnnc2[C@](C)(CCCCC(=O)O)NCC(F)(F)F)cc1 ZINC000205857614 HF Annotated Anodyne C[C@]1(c2nnnn2Cc2ccccc2)Cn2nccc2C(=O)N1Cc1cccs1 ZINC000205858182 HF Annotated Anodyne C[C@@]1(c2nnnn2Cc2ccccc2)Cn2nccc2C(=O)N1Cc1cccs1 ZINC000205858196 HF Annotated Anodyne O=C1Nc2ccccc2NC(c2ccc3c(c2)OCO3)=C1NC(=O)c1ccncc1 ZINC000205860478 HF Annotated Anodyne CC(=O)N1CCC(C(=O)N(CCO)[C@@H](c2ccccc2)c2nc3ccccc3[nH]2)CC1 ZINC000205860681 HF Annotated Anodyne CC(=O)N1CCC(C(=O)N(CCO)[C@H](c2ccccc2)c2nc3ccccc3[nH]2)CC1 ZINC000205860698 HF Annotated Anodyne CCOC(=O)/C(C#N)=C/C(=C(\O)c1ccc(OC)c(OC)c1)[n+]1ccc(OC)cc1 ZINC000205899330 HF Annotated Reactive O=C(NCCC(F)(F)F)C1=CN2CCN(Cc3cccc(Cl)c3)C(=O)N=C2O1 ZINC000206018714 HF Annotated Anodyne N#Cc1ccccc1CN1CCN(c2ncc(C(=O)NCc3ccco3)s2)C1=O ZINC000206019944 HF Annotated Mild C[C@@H](NC(=O)C1(N2Cc3ccc(-c4ccnn4C)nc3C2=O)CC1)c1ccccc1 ZINC000206019992 HF Annotated Anodyne C[C@H]1[C@@H](NS(=O)(=O)c2ccc(C#N)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206042302 HF Annotated Mild C[C@H]1[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206042329 HF Annotated Bother CCN1C(=O)[C@H](c2nnnn2-c2c(C)cccc2C)N(CCc2ccccc2)C1=O ZINC000206054265 HF Annotated Anodyne CCN1C(=O)[C@@H](c2nnnn2-c2c(C)cccc2C)N(CCc2ccccc2)C1=O ZINC000206054288 HF Annotated Anodyne Cc1noc(C)c1CN1CCN2C=C(C(=O)NCCCc3ccccc3)OC2=NC1=O ZINC000206055851 HF Annotated Anodyne COc1cncc(-c2cnn(C(C)(C)C(=O)NCc3ccc4c(c3)OCCO4)c2)c1 ZINC000206056589 HF Annotated Anodyne CN1O[C@@](C)(CC(=O)NCc2nccs2)N=C1c1cccc(Br)c1 ZINC000206057047 HF Annotated Anodyne CN1O[C@](C)(CC(=O)NCc2nccs2)N=C1c1cccc(Br)c1 ZINC000206057072 HF Annotated Anodyne COc1cccc(NC(=O)C2=COC3=NC(=O)N(Cc4cccc(C#N)c4)CCN23)c1 ZINC000206059431 HF Annotated Mild O=C(N[C@@H]1CCc2ccccc21)C1=CN2CCN(Cc3ccccc3)C(=O)N=C2O1 ZINC000206059466 HF Annotated Anodyne O=C(N[C@H]1CCc2ccccc21)C1=CN2CCN(Cc3ccccc3)C(=O)N=C2O1 ZINC000206059495 HF Annotated Anodyne COc1ccc(-c2nccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)c(OC)n1 ZINC000206096872 HF Annotated Anodyne COc1cc(CN2C(=O)C[C@H]3C(=C(N)Oc4cc(C)ccc43)C2=O)cc(OC)c1OC ZINC000206390699 HF Annotated Anodyne COc1cc(CN2C(=O)C[C@@H]3C(=C(N)Oc4cc(C)ccc43)C2=O)cc(OC)c1OC ZINC000206390733 HF Annotated Anodyne COc1ccc(CCN2C(=O)C[C@@H]3C(=C(N)Oc4ccc(C)cc43)C2=O)cc1OC ZINC000206391811 HF Annotated Anodyne COc1ccc(CCN2C(=O)C[C@H]3C(=C(N)Oc4ccc(C)cc43)C2=O)cc1OC ZINC000206391838 HF Annotated Anodyne COc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C[C@@H]12 ZINC000206393377 HF Annotated Anodyne COc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C[C@H]12 ZINC000206393414 HF Annotated Anodyne CCn1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c(=O)c2ccc(C)nc21 ZINC000206491083 HF Annotated Anodyne CC[C@@H](C)CNC(=O)c1cccc(-c2cccc(CNC[C@@H]3CNCCCO3)c2)n1 ZINC000206766336 HF Annotated Anodyne CC[C@@H](C)CNC(=O)c1cccc(-c2cccc(CNC[C@H]3CNCCCO3)c2)n1 ZINC000206766382 HF Annotated Anodyne CC[C@@H](C)CNC(=O)c1cncc(-c2ccc(CNC[C@@H]3CNCCCO3)cc2)c1 ZINC000206767265 HF Annotated Anodyne CC[C@@H](C)CNC(=O)c1cncc(-c2ccc(CNC[C@H]3CNCCCO3)cc2)c1 ZINC000206767310 HF Annotated Anodyne CNC(=O)c1ccc(-c2cnc3cnc(C(=O)N(C)c4ccc(C#N)cc4)cn23)cc1 ZINC000207186357 HF Annotated Mild Cc1ncc2c(-c3nnc4c(n3)NC(=O)C4(C)C)nn(Cc3cccc(F)c3F)c2n1 ZINC000207362473 HF Annotated Anodyne COc1c2c(cc(CO)c1-c1c(C[C@H](C)[C@H](C)O)cc3c(c1OC)OCO3)OCO2 ZINC000207634223 HF Annotated Anodyne CCCCN(C(=O)/C=C/c1ccc(C)cc1C)[C@H]1C(=O)NC(=O)N(CCC)[C@H]1N ZINC000208354205 HF Annotated Anodyne CCCCN(C(=O)/C=C/c1ccc(C)cc1C)[C@@H]1C(=O)NC(=O)N(CCC)[C@H]1N ZINC000208354280 HF Annotated Anodyne COc1cc(/C(O)=C(\C=C(C#N)C#N)[n+]2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000209109621 HF Annotated Anodyne CC(C)n1cnc2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21 ZINC000209497785 HF Annotated Anodyne in-vitro CO[C@H]1C[C@]2(CC[C@]3(O2)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC(=O)[C@]3(C)OC(C)=O)CO1 ZINC000209559102 HF Annotated Anodyne Clc1ccc(CN2CCc3nc(N4CCN(c5ncccn5)CC4)ncc3C2)cc1 ZINC000021040003 HF Annotated Anodyne C=C(C(=O)OC)[C@H]1CC[C@](C)(O)[C@H]2CC[C@](C)(O2)[C@H](OC(C)=O)C/C=C(\C)[C@@H](O)C1 ZINC000210429503 HF Annotated Mild CCC(=O)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000210463087 HF Annotated Bother O=C(O)/C(=C/c1ccc(O)c(O)c1)c1c(O)cc(/C=C\c2ccc(O)c(O)c2)oc1=O ZINC000210846248 HF Annotated Clean O=C(O)/C(=C/c1ccc(O)c(O)c1)c1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O ZINC000210846277 HF Annotated Clean O=C(O)/C(=C\c1ccc(O)c(O)c1)c1c(O)cc(/C=C\c2ccc(O)c(O)c2)oc1=O ZINC000210846307 HF Annotated Clean N#Cc1cc2c(Oc3ccccc3OCCn3ccc(=O)[nH]c3=O)cc(F)cn2c1 ZINC000210924001 HF Annotated Mild N#Cc1cc2c(Oc3ccc(F)cc3OCCn3ccc(=O)[nH]c3=O)cccn2c1 ZINC000210929344 HF Annotated Mild N#Cc1cc2c(Oc3ccc(F)cc3OCCn3ccc(=O)[nH]c3=O)cc(F)cn2c1 ZINC000210929423 HF Annotated Mild CC[C@@]1(O)CCc2c(cc3c(O)c4c(cc3c2O)[C@H](O)CCC4=O)[C@H]1C(=O)OC ZINC000211268065 HF Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3[C@@H](O)C3=COC(=O)[C@H]32)OCO4)cc(OC)c1OC ZINC000212930372 HF Annotated Anodyne Cc1cc(NC(=O)Cc2cccc3ccccc23)n([C@@H]2NC(=O)[C@H]3CCC[C@H]3N2)n1 ZINC000214065614 HF Annotated Anodyne Cc1cc(NC(=O)Cc2cccc3ccccc23)n([C@@H]2NC(=O)[C@H]3CCC[C@@H]3N2)n1 ZINC000214065731 HF Annotated Anodyne C=C[C@@H]1O[C@]1(C)c1cc(=O)c2c(CO)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O ZINC000214660977 HF Annotated Mild CC[C@@H]1O[C@]1(C)c1cc(=O)c2c(CO)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O ZINC000214661148 HF Annotated Clean COc1ccc(N2CCN(c3ncc4c(n3)CCN(Cc3cccn3C)C4)CC2)cc1 ZINC000021640172 HF Annotated Clean CCOC(=O)c1nc(Nc2ccc(CN3CCN(CC)CC3)cc2)c2c(C)noc2n1 ZINC000021646252 HF Annotated Anodyne C[C@@](O)(C#Cc1cc2c(cc1F)OCCc1sc(C(N)=O)nc1-2)c1ccccn1 ZINC000215739368 HF Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCc1sc(C(N)=O)nc1-2)c1ccccn1 ZINC000215739414 HF Annotated Mild Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)OCCc2sc(C(N)=O)nc2-3)no1 ZINC000215739694 HF Annotated Mild Cc1nc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2C2CC3C2)no1 ZINC000215756655 HF Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)C1CC(C1)n1cc(C(N)=O)nc1-2)c1ccccn1 ZINC000215765996 HF Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)C1CC(C1)n1cc(C(N)=O)nc1-2)c1ccccn1 ZINC000215766049 HF Annotated Mild Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)c2[nH]c(C(N)=O)nc2-3)no1 ZINC000215772383 HF Annotated Mild COC[C@@](C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1C1CC1 ZINC000215775583 HF Annotated Mild COC[C@](C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1C1CC1 ZINC000215775630 HF Annotated Mild C#CCSc1nc(NNC(N)=S)c(C#N)c(-c2ccc(Br)cc2)n1 ZINC000215983315 HF Annotated Mild CC1(C)[C@H]2CC[C@H](COc3cc(F)c(C(=O)NS(N)(=O)=O)cc3Cl)[C@@H]1C2 ZINC000216201214 HF Annotated Anodyne CNS(=O)(=O)NC(=O)c1cnc(OCC23CC4CC(CC(C4)C2)C3)c(C2CC2)c1 ZINC000216248090 HF Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(O[C@H]2C[C@@H]3CC[C@H]2C3)cc1F ZINC000216250316 HF Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(O[C@@H]2C[C@@H]3CC[C@H]2C3)cc1F ZINC000216250492 HF Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC2C[C@H]3C[C@@H]3C2)cc1F ZINC000216261258 HF Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC2C[C@@H]3C[C@H]3C2)cc1F ZINC000216261296 HF Annotated Anodyne N#Cc1cnc2c(Nc3ccc(F)c([C@@]4(CF)N=C(N)O[C@@H]5C[C@@H]54)c3)ncnc2c1 ZINC000217580742 HF Annotated Mild CN1C(=O)CN(C(=O)C[C@H](N)[C@H]2CCc3cc(F)c(F)cc32)Cc2ccc(F)cc21 ZINC000218043632 HF Annotated Anodyne N[C@@H](CC(=O)N1CC(=O)Nc2cc(F)ccc2C1)[C@H]1CCc2cc(F)c(F)cc21 ZINC000218065091 HF Annotated Anodyne N#Cc1ccc2c(c1)NC(=O)CN(C(=O)C[C@H](N)[C@H]1CCc3cc(F)c(F)cc31)C2 ZINC000218156542 HF Annotated Mild COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2ncc(Cc3ccccc3)cc21 ZINC000218999804 HF Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1C[C@@](C)(c2ccccc2)c2ccc(C#N)cc21 ZINC000219007263 HF Annotated Mild COC[C@H]1CN[C@H](C)CN1CC(=O)N1C[C@](C)(c2ccccc2)c2ccc(C#N)cc21 ZINC000219007335 HF Annotated Mild COc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2c(n1)C(=O)NCC2 ZINC000219012713 HF Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccccc4)cc32)[C@@H](CF)CN1 ZINC000219016720 HF Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(-c3ccsc3)cc21 ZINC000219025320 HF Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ccc(Cl)cc32)[C@@H](Cn2cccn2)CN1 ZINC000219026667 HF Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(C3CCCC3)cc21 ZINC000219064652 HF Annotated Anodyne C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1ccccc1OC(F)(F)F ZINC000219122031 HF Annotated Anodyne CCNC(=O)c1coc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)c1 ZINC000219291387 HF Annotated Mild N#C[C@H](Cc1cc2c(=O)[nH]c3ccccc3c2cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219292398 HF Annotated Mild N#C[C@H](Cc1cc2c(=O)[nH]c3cc(F)ccc3c2cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219292443 HF Annotated Mild N#C[C@H](Cc1ccc(-c2ccc3c(c2)C(=O)OC3)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219294032 HF Annotated Mild N#C[C@H](Cc1cccc2[nH]c(=O)c3cc(F)ccc3c12)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219306635 HF Annotated Mild N#C[C@@H](Cc1cccc2[nH]c(=O)c3cc(F)ccc3c12)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219306663 HF Annotated Mild N#C[C@H](Cc1ccc(-c2ccc3c(c2)NC(=O)C3)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219307739 HF Annotated Mild N#C[C@@H](Cc1ccc(-c2ccc3c(c2)NC(=O)C3)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219307769 HF Annotated Mild N#C[C@H](Cc1ccc2c(c1)[nH]c(=O)c1cc(F)ccc12)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219310101 HF Annotated Mild N#C[C@@H](Cc1ccc2c(c1)[nH]c(=O)c1cc(F)ccc12)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219310133 HF Annotated Mild N#C[C@@H](Cc1cc2c(=O)[nH]c3ccccc3c2cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219323730 HF Annotated Mild N#C[C@@H](Cc1cc2c(=O)[nH]c3cc(F)ccc3c2cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219323864 HF Annotated Mild N#C[C@H](Cc1ccc2c(c1)c(=O)[nH]c1c(F)cc(F)cc12)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219323907 HF Annotated Mild N#C[C@@H](Cc1ccc2c(c1)c(=O)[nH]c1c(F)cc(F)cc12)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219323933 HF Annotated Mild N#C[C@H](Cc1ccc(-n2cc(C(F)(F)F)cn2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219324356 HF Annotated Mild N#C[C@H](Cc1cc2c(=O)[nH]c3ccc(F)cc3c2cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219325053 HF Annotated Mild N#C[C@@H](Cc1cc2c(=O)[nH]c3ccc(F)cc3c2cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219325081 HF Annotated Mild Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2cc(C(N)=O)nc2-3)on1 ZINC000219423975 HF Annotated Mild Cc1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#C[C@@](C)(O)c3ncccn3)cc1-2 ZINC000219455646 HF Annotated Mild C[C@]1(F)COc2ccc(C#C[C@@](C)(O)c3ncccn3)cc2-c2nc(C(N)=O)sc21 ZINC000219457449 HF Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1C1(O)CCC1 ZINC000219463614 HF Annotated Mild Cc1cc([C@@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2cc(C(N)=O)nc2-3)no1 ZINC000219467796 HF Annotated Mild Cc1cc([C@@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2cc(C(N)=O)nc2-3)on1 ZINC000219469396 HF Annotated Mild Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@H](C)CO3)no1 ZINC000219472282 HF Annotated Mild Cc1cc([C@@](C)(O)C#Cc2cc3c(cc2F)OCCc2sc(C(N)=O)nc2-3)no1 ZINC000219493583 HF Annotated Mild C[C@@](O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1[C@](C)(F)CO2)c1ncccn1 ZINC000219503471 HF Annotated Mild Cn1nccc1Cc1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#CC(C)(C)O)cc1-2 ZINC000219510144 HF Annotated Mild Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@H](C)CO3)no1 ZINC000219513720 HF Annotated Mild CC(C)NCc1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2 ZINC000219534298 HF Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1CN1CCCC1 ZINC000219534630 HF Annotated Mild Cn1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC4(CC3)CNC(=O)O4)ccc21 ZINC000219635755 HF Annotated Anodyne CCNC(=O)[C@H]1C[C@@H]1c1[nH]nc2cc(NC(=O)N[C@H](COC)c3ccccc3)ncc12 ZINC000219747121 HF Annotated Anodyne C[C@@H]1O[C@@H](O[C@H](C)CCCC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219953120 HF Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219958503 HF Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219960486 HF Annotated Anodyne in-vitro NCCCOc1ccc(-c2ccc3[nH]ccc3c2)cc1CNCCN1CCNCC1 ZINC000022040670 HF Annotated Anodyne N[C@@H](CS)CN1CCN(C(=O)c2cccc3ccccc23)C[C@@H]1CCOC1CC1 ZINC000022444723 HF Annotated Mild Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCN(CCO)CC3)c(O)n2n1 ZINC000022458885 HF Annotated Anodyne Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCN(CCO)CC3)c(O)n2n1 ZINC000022458892 HF Annotated Anodyne Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2cc(C(N)=O)nc2-3)no1 ZINC000220008834 HF Annotated Mild CCn1ccc2cc(Nc3nccc(-n4cc(CN5CC(O)C5)c(C)n4)n3)ccc21 ZINC000220262181 HF Annotated Anodyne C=CC(=O)N1CC[C@@H](COc2nc(Nc3cnn(C)c3)nc3[nH]cc(Cl)c23)C1 ZINC000220430426 HF Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N(C[C@H](O)C(=O)O)C2=O)cc1 ZINC000220655083 HF Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N(C[C@@H](O)C(=O)O)C2=O)cc1 ZINC000220655142 HF Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@@H](CO)C(=O)O)C2=O)cc1 ZINC000220673222 HF Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@H](CO)C(=O)O)C2=O)cc1 ZINC000220673276 HF Annotated Anodyne Cc1ccc(N2CCOCC2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccccn2)C3)n1 ZINC000220718537 HF Annotated Anodyne COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(C(=O)O)o4)CC3)c2c1 ZINC000220758062 HF Annotated Anodyne Cc1c(-c2cccc(C(=O)N3CCN(C)CC3)c2)c(=O)oc2c(C=O)c(O)ccc12 ZINC000221057352 HF Annotated Anodyne COc1cc2c(C)c(-c3ccc(C(=O)N4CCOCC4)cc3)c(=O)oc2c(C=O)c1O ZINC000221060086 HF Annotated Anodyne N#C[C@H]1C[C@@H](N2CC3(CCC3)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 ZINC000221099271 HF Annotated Mild N#C[C@H]1C[C@H](N2CC3(CCC3)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 ZINC000221099414 HF Annotated Mild CN(C)[C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(OC(F)F)nc3)n2)[C@H](C#N)C1 ZINC000221099934 HF Annotated Mild CN(C)[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(OC(F)F)nc3)n2)[C@H](C#N)C1 ZINC000221099993 HF Annotated Mild N#C[C@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)CF)cc2)n1 ZINC000221141832 HF Annotated Mild N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)CF)cc2)n1 ZINC000221141893 HF Annotated Mild CS(=O)(=O)c1ccc(Nc2nn([C@@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cc1F ZINC000221149809 HF Annotated Mild CS(=O)(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cc1F ZINC000221149852 HF Annotated Mild N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc([C@H](O)C(F)(F)F)nc2)n1 ZINC000221175728 HF Annotated Mild N#C[C@H]1C[C@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)F)nc2)n1 ZINC000221176083 HF Annotated Mild N#C[C@H]1C[C@@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc([C@H](O)C(F)(F)F)cc2)n1 ZINC000221186703 HF Annotated Mild N#C[C@H]1C[C@@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc([C@@H](O)C(F)(F)F)cc2)n1 ZINC000221186754 HF Annotated Mild CC(=O)c1ccc(Nc2nn([C@H]3CC[C@H](N4CCC4)C[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000221188319 HF Annotated Mild CC(=O)c1ccc(Nc2nn([C@H]3CC[C@@H](N4CCC4)C[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000221188414 HF Annotated Mild CC(C)(C)NC(=O)c1cncc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)c1 ZINC000221196627 HF Annotated Mild CN(C)[C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)nc3)n2)[C@H](C#N)C1 ZINC000221201955 HF Annotated Mild CN(C)[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)nc3)n2)[C@H](C#N)C1 ZINC000221202013 HF Annotated Mild Nc1ncc(-c2cc(N3C[C@H]4C[C@H]4C3)nc(N3CC4CC3C4)n2)cc1OC(F)F ZINC000221217218 HF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@H]4C[C@@H]4C3)nc(N3CC4CC3C4)n2)cc1OC(F)F ZINC000221217266 HF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cc1C(F)(F)F ZINC000221257580 HF Annotated Anodyne Cn1ccc2c(NC(=O)NCCN3CCC(O)(Cc4ccccc4)CC3)ccnc21 ZINC000221448486 HF Annotated Anodyne Cn1ccc2nccc(NC(=O)NCCN3CCC(O)(Cc4ccccc4)CC3)c21 ZINC000221458106 HF Annotated Anodyne CC(C)(O)C(C)(C)OB(OC(C)(C)C(C)(C)O)c1ccncc1Br ZINC000221635035 HF Annotated Mild CC(C)(O)C(C)(C)OB(OC(C)(C)C(C)(C)O)c1ccc(Br)nc1 ZINC000221636058 HF Annotated Mild CC(C)(O)C(C)(C)OB(OC(C)(C)C(C)(C)O)c1cncc(Br)c1 ZINC000221636132 HF Annotated Mild CC(C)(O)C(C)(C)OB(OC(C)(C)C(C)(C)O)c1cc(Br)cnc1F ZINC000221637566 HF Annotated Mild N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc([C@@H](O)C(F)(F)F)nc2)n1 ZINC000221831132 HF Annotated Mild CCNC(=O)O[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1 ZINC000221835552 HF Annotated Mild C[C@](O)(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cn1)C(F)F ZINC000221841116 HF Annotated Mild CCS(=O)(=O)c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000221849514 HF Annotated Mild N#C[C@H]1C[C@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc([C@H](O)C(F)(F)F)cc2)n1 ZINC000221849577 HF Annotated Mild CN(C)[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(OC(F)F)nc3)n2)[C@@H](C#N)C1 ZINC000221854565 HF Annotated Mild CN(C)[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)nc3)n2)[C@@H](C#N)C1 ZINC000221863289 HF Annotated Mild CN(C)[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)nc3)n2)[C@@H](C#N)C1 ZINC000221863352 HF Annotated Mild COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4ccc(OC)nc4)cc23)CC1 ZINC000221886401 HF Annotated Anodyne N#C[C@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)F)cc2)n1 ZINC000221886874 HF Annotated Mild N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)F)cc2)n1 ZINC000221886936 HF Annotated Mild N#C[C@@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)F)cc2)n1 ZINC000221886996 HF Annotated Mild COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cnccc4OC)cc23)CC1 ZINC000221887363 HF Annotated Anodyne COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cncc(OC)c4)cc23)CC1 ZINC000221887838 HF Annotated Anodyne COc1ccc(OC)c(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CSCC3)c1 ZINC000222040784 HF Annotated Mild COc1cc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CSCC3)cc(OC)c1 ZINC000222040858 HF Annotated Mild COc1ccc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CSCC3)c(OC)c1 ZINC000222041192 HF Annotated Mild COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(C)=O)C[C@@]1(O)C(C)(C)CCC(=O)[C@]21C ZINC000222165360 HF Annotated Anodyne COC(=O)[C@@H]1c2ccoc2C[C@@H]2[C@H]1[C@@H](OC(C)=O)C[C@@]1(O)C(C)(C)CCC(=O)[C@]21C ZINC000222165410 HF Annotated Anodyne COC1CCN(c2nccc(Nc3cc4c(cn3)ncn4C3CCOCC3)n2)CC1 ZINC000222707421 HF Annotated Anodyne COc1cccc2c1nc(N)n1nc(CN3CCN(c4ccc(F)cc4)C[C@H]3C)nc21 ZINC000222740209 HF Annotated Anodyne COc1cccc2c1nc(N)n1nc(CN3CCN(c4ccccc4)C[C@H]3C)nc21 ZINC000222740628 HF Annotated Anodyne COC1(CO)CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1 ZINC000222746595 HF Annotated Anodyne CO[C@H]1CCN(c2nccc(Nc3cc4c(cn3)nc(CO)n4C(C)C)n2)C[C@H]1F ZINC000222772985 HF Annotated Anodyne CCS(=O)(=O)c1ccc(Nc2nn([C@@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000222972074 HF Annotated Mild N#C[C@H]1C[C@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc([C@@H](O)C(F)(F)F)cc2)n1 ZINC000222973028 HF Annotated Mild CC1(C)CN([C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccnc(F)c4)n3)[C@@H](C#N)C2)C1 ZINC000222975215 HF Annotated Mild CC1(C)CN([C@@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccnc(F)c4)n3)[C@@H](C#N)C2)C1 ZINC000222975483 HF Annotated Mild COCCN[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000222980543 HF Annotated Mild COCCN[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000222980601 HF Annotated Mild COCC(C)(C)N[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)[C@@H](C#N)C1 ZINC000222981189 HF Annotated Mild COCC(C)(C)N[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)[C@@H](C#N)C1 ZINC000222981250 HF Annotated Mild CCNC(=O)O[C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1 ZINC000222982773 HF Annotated Mild NC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(CCc2ccc(O)cc2)c1 ZINC000223379173 HF Annotated Anodyne O=C(Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)[C@@H]1CCCO1 ZINC000223671299 HF Annotated Anodyne NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCN(C(=O)C1CCC1)C3 ZINC000223689899 HF Annotated Anodyne O=C(Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)c1cnccn1 ZINC000223695692 HF Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)CNc3cncnc3)c2F)cn1 ZINC000224549079 HF Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)CNc3cncnc3)c2F)cn1 ZINC000224549129 HF Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)Cn3ccccc3=O)c2F)cn1 ZINC000224549380 HF Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)Cn3ccccc3=O)c2F)cn1 ZINC000224549437 HF Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)CNc3cnccn3)c2F)cn1 ZINC000224553622 HF Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)CNc3cnccn3)c2F)cn1 ZINC000224553669 HF Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)CNc3ncccn3)c2F)cn1 ZINC000224561530 HF Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)CNc3ncccn3)c2F)cn1 ZINC000224561578 HF Annotated Anodyne Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCOCC3)cc2F)cn1 ZINC000224698786 HF Annotated Anodyne COCCCS(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224702591 HF Annotated Anodyne CC[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224712087 HF Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCOCC3)cc2F)cn1 ZINC000224713655 HF Annotated Anodyne CC[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224715063 HF Annotated Anodyne Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCOCC3)cc2F)cn1 ZINC000224728848 HF Annotated Anodyne C[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1 ZINC000224730858 HF Annotated Anodyne COCCCS(=O)(=O)c1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224741162 HF Annotated Anodyne Nc1cnc(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)cn1 ZINC000224751698 HF Annotated Anodyne CC(C)(O)CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224751838 HF Annotated Anodyne Nc1ccnc(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)n1 ZINC000224772999 HF Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(F)(F)C3)cn2)cn1 ZINC000224774788 HF Annotated Anodyne C[C@H](O)[C@@H]1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CCO1 ZINC000224778269 HF Annotated Anodyne C[C@@H](O)[C@@H]1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CCO1 ZINC000224778318 HF Annotated Anodyne C[C@H](O)[C@H]1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CCO1 ZINC000224778360 HF Annotated Anodyne C[C@@H](O)[C@H]1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CCO1 ZINC000224778415 HF Annotated Anodyne C[C@H](O)[C@@H]1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)CCO1 ZINC000224785528 HF Annotated Anodyne C[C@@H](O)[C@@H]1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)CCO1 ZINC000224785572 HF Annotated Anodyne C[C@H](O)[C@H]1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)CCO1 ZINC000224785610 HF Annotated Anodyne C[C@@H](O)[C@H]1CN(C(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)CCO1 ZINC000224785656 HF Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)c3ccnc(N)n3)cc2F)cn1 ZINC000224787343 HF Annotated Anodyne N#CC1CN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)C1 ZINC000224792926 HF Annotated Mild Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)c3cc(N)ncn3)cc2F)cn1 ZINC000224801856 HF Annotated Anodyne COC[C@H](C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224806274 HF Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)c3ncncc3N)cc2F)cn1 ZINC000224806511 HF Annotated Anodyne Nc1cc(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)ncn1 ZINC000224809335 HF Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)c3nccc(N)n3)cc2F)cn1 ZINC000224815157 HF Annotated Anodyne Nc1cnc(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)nc1 ZINC000224823201 HF Annotated Anodyne CC(C)(C(N)=O)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224823917 HF Annotated Anodyne CC1(NS(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)COC1 ZINC000224853304 HF Annotated Anodyne CC1(C)CC(=O)C(/C=N/CCN2CCN(CC(=O)Nc3ccccc3)CC2)=C(O)C1 ZINC000022788240 HF Annotated Mild Cc1ccc(CN2CCOc3ccc(CN4CCN(CCO)CC4)cc3C2)s1 ZINC000022853500 HF Annotated Anodyne CC(C)(O)C#Cc1ccc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)s1 ZINC000022932856 HF Annotated Mild CN1CCN(CCCNc2nccc(/C(C#N)=C3\Nc4ccccc4S3)n2)CC1 ZINC000022933794 HF Annotated Reactive S=c1oc(-c2ccncc2)nn1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022941565 HF Annotated Anodyne Cc1ccc(S(=O)(=O)N(Cc2cccc(F)c2)C(=O)N2CCN(C)CC2)cc1 ZINC000022996863 HF Annotated Anodyne Cc1cnn(-c2ccc(C)nc2C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ncc(F)cn2)C3)c1 ZINC000226041950 HF Annotated Anodyne Cc1ccc(N2CCN(C)CC2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccccn2)C3)n1 ZINC000226053257 HF Annotated Anodyne Cc1ccc(N2CCCC2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ncc(F)cn2)C3)n1 ZINC000226061970 HF Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(S(N)(=O)=O)CC3)cc12 ZINC000226070749 HF Annotated Anodyne Cc1ccc(-n2cccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ncc(F)cn2)C3)n1 ZINC000226074038 HF Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ncc(F)cn2)C3)n1 ZINC000226085036 HF Annotated Anodyne O=C(NCc1ccc(Cl)cc1)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 ZINC000226388460 HF Annotated Anodyne CC(C)OCCCNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000226569651 HF Annotated Anodyne CC(C)OCCCNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000226569657 HF Annotated Anodyne O=C(NCc1ccccc1Cl)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000227270500 HF Annotated Anodyne O=C(NCc1ccccc1Cl)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000227270508 HF Annotated Anodyne O=C(NCc1ccccc1)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000227296875 HF Annotated Anodyne O=C(NCc1ccccc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000227296881 HF Annotated Anodyne COc1cc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(C)CC3)C2)c2ccccc2n1 ZINC000023338857 HF Annotated Anodyne COc1cc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(C)CC3)C2)c2ccccc2n1 ZINC000023338859 HF Annotated Anodyne Cc1c(O)nc(-c2ccc(CN3CCN(C)[C@@H](CCO)C3)cc2)nc1C(F)(F)F ZINC000023399086 HF Annotated Anodyne CC(=O)N[C@@H](C(=O)O[C@H](/C=C/C=C\C=C\C(=O)O)[C@@]1(C)CO1)[C@@H](C)c1ccccc1 ZINC000230067645 HF Annotated Anodyne in-man CC(=O)N[C@H](C(=O)O[C@H](/C=C/C=C\C=C\C(=O)O)[C@@]1(C)CO1)[C@@H](C)c1ccccc1 ZINC000230067650 HF Annotated Anodyne in-man endogenous CC(=O)O[C@@H]1C[C@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2 ZINC000230078701 HF Annotated Anodyne in-man Cn1c(=O)n(C)c2cc(CNC(=O)Nc3nnc(-c4cccs4)s3)ccc21 ZINC000023505668 HF Annotated Anodyne CC(=O)O[C@H]1O[C@@H]2C[C@@H](C)[C@]3(C[C@@H](O)c4ccoc4)C(=O)OC[C@@]24[C@@H]1CCC[C@H]34 ZINC000238731097 HF Annotated Anodyne C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(COC(=O)/C(=C/C)COC(C)=O)=C/[C@@H](O)[C@H]12 ZINC000238731662 HF Annotated Mild C=CC[C@@]12C=C(OC)[C@@H](O)[C@@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2OC(C)=O ZINC000238731762 HF Annotated Mild C=CC[C@]12C=C(OC)C(=O)[C@](OC)([C@H]1O)[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]2C ZINC000238731985 HF Annotated Mild C=CC[C@@]1(C)C(=O)Oc2c(O)c3c(c(C)c21)C(=O)C(O)=C([C@@H](C)COC(C)=O)C3=O ZINC000238732051 HF Annotated Mild C/C=C(\C)C(=O)O[C@H]1C=C(CO)[C@H](OC(=O)/C(C)=C/C)[C@H](OC(C)=O)[C@H]1C(C)C ZINC000238732200 HF Annotated Anodyne CC[C@H]1C[C@@H](C)C(=O)/C=C/C(C)=C/[C@H](C)[C@@H]([C@H](C)O)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O ZINC000238732582 HF Annotated Mild CC(=O)OC[C@@]12CCC[C@]3(C)C(=O)O[C@H](C[C@@H](C)[C@]14CC[C@@]1(COC(=O)C1)O4)[C@@H]32 ZINC000238732685 HF Annotated Anodyne C/C=C1/CN2CC[C@]34c5ccc(OC)cc5N(C(C)=O)[C@H]3[C@H](COC(C)=O)[C@H]1C[C@H]24 ZINC000238732829 HF Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@]2(COC(C)=O)C(=O)OC ZINC000238733105 HF Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](OC(C)=O)[C@@]1(C)CC[C@@H](O1)[C@](C)(O)CCC2=O ZINC000238733346 HF Annotated Mild CC[C@@H](C)C(=O)O[C@H]1C[C@](C)(O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12 ZINC000238733806 HF Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12 ZINC000238734217 HF Annotated Mild CO[C@@]12/C=C(/CO)CCC[C@@]3(C)[C@H](CC1=C(C)C(=O)O2)[C@]1(C)O[C@@H]1C[C@H]3OC(C)=O ZINC000238734233 HF Annotated Anodyne CC(=O)OCC1=C[C@H](O)[C@@]2([C@@H](O)/C=C(C)/C=C/C=C(\C)CCC=C(C)C)O[C@H]2[C@@H]1O ZINC000238734290 HF Annotated Anodyne CC/C=C\C[C@H](O)CC(=O)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1 ZINC000238734323 HF Annotated Anodyne CC(=O)Oc1ccc(C[C@H](OC(C)=O)C(=O)c2ccc(OC(C)=O)cc2O)cc1 ZINC000238734430 HF Annotated Anodyne CC[C@H]1O[C@@]2(C)[C@@H](O)[C@H](/C=C/C=C/C=C/c3oc(=O)cc(OC)c3C)O[C@]1(C)[C@H]2O ZINC000238734656 HF Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2C(OCC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2 ZINC000238734805 HF Annotated Anodyne CO[C@@H]1O[C@H](c2ccc3c(c2O)OCO3)[C@H]2CO[C@H](c3ccc4c(c3O)OCO4)[C@@H]12 ZINC000238734820 HF Annotated Anodyne COc1cc([C@@H]2OC[C@H]3[C@H](c4ccc(O)c(OC)c4)OC[C@@]23OC(C)=O)ccc1O ZINC000238735117 HF Annotated Anodyne COC(=O)/C(C)=C1/C[C@H]2[C@](C)(CCC/C(CO)=C\C1=O)[C@H](OC(C)=O)C[C@H]1O[C@@]21C ZINC000238735430 HF Annotated Mild C=C(C)[C@H]1c2cc(C(=O)OC)c(o2)C[C@H](C(=C)C)[C@@H](O)/C=C2/C(=O)O[C@@H]1[C@@H]2OC ZINC000238735472 HF Annotated Mild COc1cc([C@@H]2O[C@H](CO)[C@@H]3[C@@H](c4ccc(O)c(O)c4)OC[C@@H]32)cc(OC)c1OC ZINC000238735538 HF Annotated Clean COc1cc2c(cc1OC)[C@@]13CCN(C)/C=C4\C=COC[C@@H]([C@@H]1N2C(C)=O)[C@H]4CC3=O ZINC000238735594 HF Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C(=O)O[C@H]2[C@@H]1[C@@H](OC(C)=O)CC(=C(C)C)[C@H]1C(=O)C=C(C)[C@@H]12 ZINC000238735713 HF Annotated Mild CO[C@H]1O[C@@H](OC)[C@@]2(O)CC[C@@H]3[C@@]4(C)CCC[C@](C)(C(=O)O)[C@H]4CC[C@@]3(C)[C@]12O ZINC000238736013 HF Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@@]1(O)[C@H](OC)O[C@@H](OC)[C@@H]1O ZINC000238736939 HF Annotated Mild CC(=O)O[C@]1(C)[C@@H](OC(=O)[C@@]2(C)O[C@H]2C)CC[C@]2(C)CC(=O)C(C(C)(C)OO)=C[C@@H]12 ZINC000238737109 HF Annotated Reactive COc1c(OC/C=C(\C)C[C@H]2C=C(COC(C)=O)C(=O)O2)ccc2ccc(=O)oc12 ZINC000238737571 HF Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@]3(CO[C@H]4O[C@H](c5ccoc5)C[C@]42[C@H](C)CC3=O)[C@@]12CO2 ZINC000238737632 HF Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3[C@@H](OC(=O)/C(C)=C/C)[C@H](O)O[C@@H](OCC)[C@@]3(C)C[C@@H]12 ZINC000238737805 HF Annotated Mild CC(=O)O[C@]1(C)C(=O)O[C@@H]2[C@H]3C(C)=CC(=O)C3=C(C)C[C@H](OC(=O)C=C(C)C)[C@H]21 ZINC000238737813 HF Annotated Mild CC(=O)O[C@@H]1C[C@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@]12CO2 ZINC000238737940 HF Annotated Anodyne COC(=O)/C=C/[C@@H]1C[C@@H]2O[C@H](C[C@@H]2Cl)[C@H](Br)C[C@@H]2O[C@H]2[C@@H](C)O1 ZINC000238738038 HF Annotated Reactive CC(=O)OC[C@@H](C)c1c(O)c(O)c2c(c1O)C(=O)C1=C3[C@@](C)(CCC[C@@]32C)C(=O)O1 ZINC000238738077 HF Annotated Mild CCC(=O)N1c2c(ccc(OC)c2O)[C@]23CCN4CCC[C@@]5(CC[C@H]12)CC(=O)O[C@@]453 ZINC000238738161 HF Annotated Anodyne COc1cc(=O)oc(/C=C/C=C/C=C/[C@@](C)(O)[C@@H]2O[C@@]3(C)[C@@H](C)O[C@]2(C)[C@@H]3O)c1C ZINC000238738238 HF Annotated Anodyne CC(=O)O[C@@]1(C)C(=O)O[C@@H]2[C@H]3C(C)=CC(=O)C3=C(C)C[C@H](OC(=O)c3ccccc3)[C@H]21 ZINC000238738428 HF Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@H]2[C@@]1(C)OC(C)=O ZINC000238738648 HF Annotated Anodyne CC(=O)O[C@]1(C)[C@H](OC(=O)[C@@]2(C)O[C@@H]2C)CC[C@]2(C)CC(=O)C(C(C)(C)OO)=C[C@@H]12 ZINC000238738836 HF Annotated Reactive C[C@]1(Cl)C[C@@H]2O[C@]3(Br)C[C@@]2(C[C@@H]1Br)[C@]1(C)O[C@@H]1[C@H]3O ZINC000238738873 HF Annotated Reactive C=C(C(=O)O)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O2)[C@@H](OC(C)=O)CC[C@]2(C)O[C@@H]2C1 ZINC000238739285 HF Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C(=O)OC)[C@H]1CCC1=C[C@@H](O)OC1=O ZINC000238739546 HF Annotated Mild CC1=C[C@H]2[C@H]3[C@@H](CC(=O)[C@@]24C(=O)N[C@H](CC(C)C)[C@H]4[C@H]1C)[C@H]1O[C@]3(C)CC[C@@H]1O ZINC000238739587 HF Annotated Anodyne COc1c2c(cc3c1[C@H](C)C[C@](C)(O)[C@H]3O)C(=O)c1ccc([C@H](C)CO)cc1C2=O ZINC000238740659 HF Annotated Clean CCC(=O)N1c2c(ccc(OC)c2O)[C@]23CCN4CCC[C@](CCO)(CC[C@@H]12)[C@@H]43 ZINC000238740954 HF Annotated Anodyne C/C=C1\CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@]2(COC(C)=O)C(=O)OC ZINC000238740995 HF Annotated Anodyne C=CC[C@@]12C=C(OC)C(=O)[C@@](OC)([C@H](c3cc(OC)c4c(c3)OCO4)[C@H]1C)[C@H]2O ZINC000238741252 HF Annotated Mild COC1=CC=C([C@@]2(O)COc3cc(O)cc(O)c3C2=O)[C@H](OC)[C@H]1CC=C(C)C ZINC000238741361 HF Annotated Anodyne COc1cc2c(c(OC)c1OC)N[C@H]1CC[C@]34CCCN5CC[C@]21[C@@]53OC(=O)C4 ZINC000238741427 HF Annotated Anodyne COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000238742167 HF Annotated Mild CC[C@@H](C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2C[C@]2(O)CC[C@@H](OC(C)=O)[C@@H](C)[C@]12C ZINC000238742182 HF Annotated Anodyne COC(=O)N1c2ccc(OC)cc2[C@]23CCN4C(=O)C=C[C@]45CC[C@]12[C@@H](C5)C(=O)C3 ZINC000238742256 HF Annotated Anodyne COc1cc(=O)oc(/C=C/C=C/C=C/[C@]2(C)O[C@]3(C)[C@@H](O)[C@@](C)(O[C@@H]3C)[C@@H]2O)c1C ZINC000238742559 HF Annotated Anodyne C=C(C(=O)OC)[C@H]1C[C@@]2(O)C(=C)[C@@H](OC(=O)C(C)C)CC[C@]2(C)C[C@H]1OC(C)=O ZINC000238742650 HF Annotated Mild Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3C[C@@](C)(CO)C[C@H]3C=C(CO)[C@H]12 ZINC000238743073 HF Annotated Anodyne CC(=O)O[C@@H]1C[C@@]23COC(=O)C2=CC[C@H]2c4occc4C(=O)C[C@](C)([C@@H]23)[C@]1(C)O ZINC000238743309 HF Annotated Anodyne C=C(C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@](C)(OC(=O)C(C)C)[C@H]12 ZINC000238743372 HF Annotated Mild COc1cc(OC)c2c(c1)OC(=O)[C@H]1[C@@H]2[C@@H]2c3c(OC)cc(OC)cc3OC(=O)[C@@H]12 ZINC000238743473 HF Annotated Anodyne C=C(C(=O)O)[C@H]1CC[C@](C)(O)[C@H](OC(C)=O)CCC(=C)[C@H]2CC[C@](C)(O2)[C@@H](O)C1 ZINC000238743612 HF Annotated Mild CON1C(=O)[C@@]2(C[C@@H]3N=C(/C(C)=C/c4ccco4)[C@H]4[C@@H]3CO[C@@H]2[C@@H]4O)c2ccccc21 ZINC000238743638 HF Annotated Anodyne CCC[C@H]1C[C@H](OC(C)=O)[C@@H](Cl)[C@@](O)(C(Br)Br)O1 ZINC000238743943 HF Annotated Reactive COC(=O)C1=C[C@@]23CCCN4CC[C@@]5(c6cccc(O)c6N(C(=O)OC)[C@]15CC2)[C@@H]43 ZINC000238743991 HF Annotated Anodyne C=CC[C@]12C[C@H](OC)[C@H](O)[C@](OC)(C1=O)[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]2C ZINC000238744095 HF Annotated Mild COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4(CNc5c4ccc(OC)c5OC)[C@@H]3C[C@H]12 ZINC000238744620 HF Annotated Anodyne C=CC[C@](C)(O)c1cc(=O)c2c(CO)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O ZINC000238744782 HF Annotated Mild C=C1[C@H](O)C[C@@H]2C(C)(C)[C@@H](Cl)[C@@H](Cl)C[C@]2(C)[C@H]1C[C@H](O)[C@@H]1CC(=O)NC1=O ZINC000238744947 HF Annotated Reactive CC(=O)O[C@@]1(C)[C@H](OC(=O)[C@@]2(C)O[C@@H]2C)CC[C@]2(C)CC(=O)C(C(C)(C)OO)=C[C@H]21 ZINC000238745057 HF Annotated Reactive C=C1[C@H]2C[C@@H]3N(C/C2=C\COC)[C@H]1C[C@@]31C(=O)Nc2c(OC)cc(OC)c(OC)c21 ZINC000238745384 HF Annotated Mild COC(=O)/C(C)=C/C=C/[C@@]1(C)OC(=O)[C@]23C=C[C@@](C)(O)CC[C@]2(OC(C)=O)[C@H]1CC3 ZINC000238745578 HF Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)C3=C(O)C(=O)C(C[C@@H](C)OC)=C(O)C3=C[C@@H](O)[C@H]12 ZINC000238745582 HF Annotated Mild C[C@@]1(CCOS(=O)(=O)O)CC[C@]2(O)C(=C[C@@H]3OC(=O)[C@]4(C)CCC[C@]2(C)[C@H]34)C1 ZINC000238745687 HF Annotated Anodyne CC(=O)OCC1=C[C@H](O)[C@@]2([C@@H](O)/C=C(C)/C=C/C=C(\C)CCC=C(C)C)O[C@H]2[C@H]1O ZINC000238745756 HF Annotated Anodyne C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)/C=C\CS)[C@@H]1[C@H]2OC(C)=O ZINC000238745815 HF Annotated Mild COc1ccc(C(=O)O[C@H]2C=C(C)C(=O)[C@H](O)[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc1 ZINC000238745893 HF Annotated Mild C[C@@H](CO)c1c(O)c(O)c2c(c1O)C(=O)C(O)=C1C(C)(C)C[C@H](OC=O)C[C@@]12C ZINC000238746689 HF Annotated Mild CC/C=C(\C)[C@H](O)[C@@H](C)/C=C/C=C/CC[C@H](O)CC1=C(C)C(=O)[C@@](O)([C@H](C)O)O1 ZINC000238746894 HF Annotated Mild C=C(C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@@](C)(OC(=O)C(=C)C)[C@H]12 ZINC000238746922 HF Annotated Mild CC(=O)O[C@@H]1CC=C2C(=O)O[C@H]3[C@H](O)[C@@H](C)[C@](C)(C[C@H](O)c4ccoc4)[C@@H]1[C@@]23C ZINC000238748080 HF Annotated Anodyne C=CCC1=C[C@]2(OC)C(=O)[C@](OC)(C1=O)[C@H](c1cc(OC)c3c(c1)OCO3)[C@H]2C ZINC000238748440 HF Annotated Mild COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC/C(=C\C(=O)N(C)CCO)[C@H](C)[C@@H]3[C@@H](O)C[C@H]12 ZINC000238748594 HF Annotated Anodyne COC(=O)CCc1cc(OC)c2c(c1)[C@H](CO)[C@@H](c1cc(OC)c(O)c(OC)c1)O2 ZINC000238749074 HF Annotated Anodyne CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5cc(OC)c(OC)cc5c4CCN(C2=O)[C@@H]13 ZINC000238749713 HF Annotated Anodyne COC(=O)[C@@H]1C[C@@]23CN(C)C[C@@H](CC(=O)C4=C2[C@@H]1CC4)[C@]31CC[C@](O)(C(C)C)OC1 ZINC000238749736 HF Annotated Mild COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)O)[C@@H]1N(CCc1c2[nH]c2ccccc12)[C@@H]3CC(C)=O ZINC000238749842 HF Annotated Anodyne CC(=O)O[C@H]1O[C@@H](c2ccoc2)C[C@@]12[C@@H](C)[C@@H](O)C[C@]13COC(=O)C1=CCC[C@H]32 ZINC000238749916 HF Annotated Anodyne C[C@H]1CC[C@@H]2C(C)(C)[C@@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc(CO)c(C=O)c1O2 ZINC000238750282 HF Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4(CNc5cc(OC)c(OC)cc54)[C@@H]3C[C@H]12 ZINC000238750355 HF Annotated Anodyne C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@H]2C3=C(C)[C@@H](O)C[C@H](OC(C)=O)[C@@]3(C)CC[C@H]21 ZINC000238750357 HF Annotated Anodyne C=C1C[C@H](O)[C@@H]2C(C)(C)[C@H](Cl)[C@@H](Cl)C[C@@]2(C)[C@@H]1C[C@@H](O)[C@@H]1CC(=O)NC1=O ZINC000238750578 HF Annotated Reactive CC(C)(O)[C@@H](O)/C=C/[C@@](C)(O)[C@H]1CC[C@@](C)(O)[C@@H](OC(=O)/C=C/c2ccccc2)C1 ZINC000238751057 HF Annotated Anodyne COC[C@@H]1C(=O)O[C@@H]2[C@@H](O)/C(C)=C/CC/C(C)=C/CC[C@]3(COC(C)=O)O[C@H]3C[C@H]21 ZINC000238751386 HF Annotated Anodyne COC(=O)c1c(C)c(C)c(OC(=O)c2cc(C=O)c(O)c(C=O)c2C)c(C)c1O ZINC000238752336 HF Annotated Anodyne CO[C@H]1C2=C(C(=O)C(O)=C([C@H](C)COC(C)=O)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1O ZINC000238752538 HF Annotated Mild COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)C(=O)[C@@](C)(O)[C@@H](C)C2 ZINC000238752586 HF Annotated Anodyne COC(=O)[C@H]1C[C@]23CCCN4CC[C@]5(c6cccc(OC)c6N(C(C)=O)[C@@]15CC2)[C@H]43 ZINC000238753064 HF Annotated Anodyne CCc1ccc2c(O)c3c(c(O)c2c1C(=O)OC)C(=O)c1c(O)ccc(O)c1C3=O ZINC000238753213 HF Annotated Clean CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC(=O)[C@]3(C)OC(C)=O)CO1 ZINC000238754232 HF Annotated Anodyne COC(=O)C1=C[C@@]23CCCN4CC[C@@]5(c6cccc(OC)c6N(OC(C)=O)[C@]15CC2)[C@@H]43 ZINC000238754907 HF Annotated Mild CC(=O)O[C@@H]1C[C@@]23COC(=O)C2=CC[C@H]2c4occc4C(=O)C[C@@](C)([C@@H]1C)[C@]23O ZINC000238754915 HF Annotated Anodyne C=C1C[C@]23C[C@@]1(OC(C)=O)CC[C@@H]2[C@]1(C(=O)O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238755132 HF Annotated Mild CC(=O)Oc1cc(OC(C)=O)cc(Oc2c(OC(C)=O)cc(O)cc2OC(C)=O)c1 ZINC000238755158 HF Annotated Anodyne CCC(=O)O[C@H]1[C@@H]2CC[C@@H]3/C(C)=C/C[C@@H](O)C(C)(C)C(=O)[C@@H](O)C[C@]13C[C@]2(C)O ZINC000238755495 HF Annotated Anodyne CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@@]12CO2 ZINC000238755742 HF Annotated Anodyne CCOC(=O)C[C@]1(O)C=C(Br)[C@@](OC)(OCC)C(Br)=C1 ZINC000238755870 HF Annotated Anodyne CCOC(=O)C[C@@]1(O)C=C(Br)[C@@](OC)(OCC)C(Br)=C1 ZINC000238755883 HF Annotated Anodyne CC[C@@H]1C[C@@H]2CN3CC[C@]4(O)C(=Nc5cc(OC)c(OC)cc54)[C@@](C(=O)OC)(C2)[C@@H]13 ZINC000238755934 HF Annotated Anodyne C=C1C[C@@H](O)[C@H](C(C)C)[C@@H]2[C@H]1[C@@H]1C[C@@](C)(O)[C@@H](O)CC[C@@](C)(OC(=O)CCC)[C@@H]2O1 ZINC000238756427 HF Annotated Mild COC(=O)/C=C(/COC(C)=O)C[C@H]1[C@H](O)C2=CC(=O)[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]21 ZINC000238756555 HF Annotated Mild CC(=O)OC[C@]12C(CO)=CCC[C@@H]1[C@@]1(C[C@@H](c3ccoc3)OC1=O)[C@H](C)C[C@H]2O ZINC000238757263 HF Annotated Anodyne CC[C@H]1CN2CC[C@]3(O)C(=Nc4cccc(OC)c43)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000238757648 HF Annotated Anodyne CC(C)C(=O)O[C@H]1[C@@H]2C=C[C@H]3C[C@H](O)C[C@@H]4CC(=O)/C(=C/[C@H]3[C@@H]2C[C@H]1C)C(=O)O4 ZINC000238757705 HF Annotated Mild COc1cc(=O)oc(/C=C/C=C/C=C/[C@](C)(O)[C@@H]2O[C@@]3(C)[C@@H](C)O[C@]2(C)[C@@H]3O)c1C ZINC000238758035 HF Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](C[C@H]12)C(C)=C(OC(=O)CC(C)C)C(=O)[C@@H]3OC(C)=O ZINC000238758115 HF Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H]2C(COC(=O)Cc2ccc(OC)cc2)=CC[C@H]1O ZINC000238758132 HF Annotated Mild CO[C@H]1C[C@@]2(CC[C@]3(O2)[C@@H](C)[C@H](O)C(=O)[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]23C)CO1 ZINC000238758997 HF Annotated Anodyne COc1cc([C@@H](c2cc(O)c3c(c2)OCO3)[C@@H]2COC(=O)[C@H]2C)cc2c1OCO2 ZINC000238759492 HF Annotated Anodyne COc1cc([C@H]2O[C@@H](O)[C@@H]3[C@@H](c4cc(OC)c(O)c(OC)c4)OC[C@H]23)ccc1O ZINC000238760332 HF Annotated Anodyne COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1Cc2c(cc3c(c2OC)OCO3)CN1C ZINC000238760700 HF Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC/C(=C/C(=O)N(C)CCO)[C@H](C)[C@@H]3[C@@H](O)C[C@H]12 ZINC000238760755 HF Annotated Anodyne CC(=O)C[C@@H](O)[C@@H](C)c1ccc2c(c1)CC[C@@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C ZINC000238760809 HF Annotated Mild CC1=C[C@H]2/C=C(\C)CC[C@H](O)[C@H](O)/C=C/C(=O)[C@@]23C(=O)N[C@H](CC(C)C)[C@H]3[C@H]1C ZINC000238761039 HF Annotated Mild CO[C@H]1C2=C(C(=O)C(O)=C([C@H](C)COC(C)=O)C2=O)[C@@]2(C)CCCC(C)(C)[C@H]2[C@@H]1O ZINC000238761108 HF Annotated Mild CC(=O)O[C@H]1CC[C@@H]2[C@]34C[C@@H](c5ccoc5)O[C@@H]3OC[C@]2([C@H](O)C[C@H]4C)[C@@]12CO2 ZINC000238761509 HF Annotated Anodyne C=C1[C@@H]2C[C@H]3N(C/C2=C\COC)[C@@H]1C[C@]31C(=O)Nc2c(OC)cc(OC)c(OC)c21 ZINC000238762571 HF Annotated Mild CC(=O)O[C@@H]1C[C@@H](C)[C@@]2(C[C@H](O)c3ccoc3)C(=O)OC[C@]13[C@@H]2CCC[C@]31CO1 ZINC000238762638 HF Annotated Anodyne COC/C=C1\CN2[C@@H]3C[C@]45C(=Nc6c(OC)cc(OC)c(OC)c64)OC[C@@H]3[C@@H]1C[C@@H]25 ZINC000238762746 HF Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@@H](OC(C)=O)CC(C(=O)O)=C[C@H]1OC(=O)CCCC(C)C ZINC000238762836 HF Annotated Anodyne COc1cc(=O)oc(/C=C/C=C/C=C/[C@@]2(C)O[C@@]3(C)[C@@H](C)O[C@@](C)([C@@H]2O)[C@H]3O)c1C ZINC000238763165 HF Annotated Anodyne CO[C@@H]1[C@@H](OC(C)=O)[C@@H]2[C@@]3(C)C(=O)C=C[C@@H](C)[C@@H]3C[C@H]3OC(=O)C[C@@H]([C@H]1C)[C@@]23C ZINC000238763206 HF Annotated Mild CC(=O)C[C@@H](O)[C@@H](C)c1ccc2c(c1)CC[C@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C ZINC000238763207 HF Annotated Mild CC1=CC(=O)c2c(O)cc(C3=C(C)C(=O)c4c(O)ccc(O)c4C3=O)c(O)c2C1=O ZINC000238763275 HF Annotated Mild C[C@@]12CCC(=O)c3coc(c31)C(=O)c1cc3c(cc12)[C@@H](OS(=O)(=O)O)C=C[C@H]3O ZINC000238763427 HF Annotated Anodyne C=CC[C@]12C[C@@H](OC)[C@H](O)C[C@]1(O)O[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]2C ZINC000238763803 HF Annotated Mild C=C1C(=O)O[C@H]2C/C(COC(C)=O)=C/CC/C(CO)=C/[C@@H](OC(=O)[C@H](C)CC)[C@H]12 ZINC000238764110 HF Annotated Mild CC(=O)OC[C@@]12C(=O)C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)O[C@@H]3O)[C@H]1CCC[C@]21CO1 ZINC000238764640 HF Annotated Anodyne COC1=C2OCO[C@@]23Oc2c(cc4c(c2OC)OCO4)[C@@H]2[C@H]3C(=C[C@H](C)[C@H]2C)C1=O ZINC000238764822 HF Annotated Mild CC1(C)OC[C@@]2(O1)[C@@H](O)[C@H](OC(=O)c1ccccc1)C=C[C@H]2OC(=O)c1ccccc1 ZINC000238765119 HF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@H]2CC(=O)C([C@H](C)C(=O)OC)=C[C@@]2(C)[C@@H]1C(=O)OC ZINC000238765122 HF Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@]1(O)[C@@H](OC)O[C@H](OC)[C@H]1O ZINC000238765455 HF Annotated Mild C=CC[C@]12C=C(OC)[C@@H](OC(C)=O)[C@](OC)([C@H]1O)[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C ZINC000238765588 HF Annotated Mild CC(=O)OC[C@]12C(C=O)=CCC[C@@H]1[C@@]1(C[C@@H](c3ccoc3)OC1=O)[C@H](C)C[C@H]2O ZINC000238765649 HF Annotated Reactive C=C(C)[C@H]1c2cc(C(=O)OC)c(o2)C[C@H](C(=C)C)[C@@H](O)/C=C2\C(=O)O[C@@H]1[C@@H]2OC ZINC000238765879 HF Annotated Mild C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]3C(C)=CC(=O)C3=C(C)C[C@H](OC(=O)CC)[C@H]21 ZINC000238765938 HF Annotated Mild C/C=C1/CN2[C@@H](OC)C[C@]34C(=Nc5cc(OC)c(OC)cc53)[C@@H]2C[C@@H]1[C@H]4C(=O)OC ZINC000238765959 HF Annotated Anodyne COC1=C(OC)C(=O)[C@@]23C(=C1)C[C@@H](C)[C@]2(C)[C@H](O)c1cc2c(c(OC)c13)OCO2 ZINC000238766084 HF Annotated Mild CC(=O)OC[C@@]12CCC[C@@H]3[C@@]4(C[C@@H](c5ccoc5)OC4=O)[C@H](C)C[C@@H](O)[C@]31CO2 ZINC000238766904 HF Annotated Anodyne COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)C(=O)[C@@](C)(O)[C@@H](C)C2 ZINC000238767667 HF Annotated Anodyne C=C(C)[C@H]1c2cc(C(=O)OC)c(o2)C[C@H](C(=C)C)[C@@H](O)/C=C2\C(=O)O[C@@H]1[C@H]2N(C)C ZINC000238768108 HF Annotated Mild CC[C@@H]1O[C@@]2(C)[C@@H](O)[C@H](/C=C/C=C/C=C/c3oc(=O)cc(OC)c3C)O[C@]1(C)[C@H]2O ZINC000238768348 HF Annotated Anodyne C=C(C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@@](C)(OC(=O)C(C)C)[C@H]12 ZINC000238769015 HF Annotated Mild CC(=O)O[C@H]1C=C(C)[C@]2(C)CC[C@@H](C(=O)O)[C@](C)(CCC3=CC(=O)O[C@H]3O)[C@H]2C1 ZINC000238769366 HF Annotated Anodyne COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@H]4c5cc(OC)c(OC)cc5N[C@H]4[C@H]3C[C@H]12 ZINC000238769379 HF Annotated Anodyne COc1cc(C(=O)O[C@H]2CC(C)=C[C@@H](O)[C@@]3(C)C(=O)C[C@@](O)(C(C)C)[C@H]23)ccc1O ZINC000238769718 HF Annotated Anodyne CC1=CC(=O)C[C@@H]2[C@]1(C)CC(=O)[C@H](C)[C@@]2(C)CC/C(C)=C\C(=O)OC[C@H](O)CO ZINC000238769907 HF Annotated Mild C/C=C(/C)C(=O)OC[C@](O)(COC(C)=O)c1ccc(COC(=O)[C@H](C)CC)cc1O ZINC000238770359 HF Annotated Anodyne CC(=O)O[C@]1(C)[C@H](OC(=O)[C@@]2(C)O[C@@H]2C)CC[C@]2(C)CC(=O)[C@]3(C[C@@H]12)OC3(C)C ZINC000238770510 HF Annotated Anodyne CC1=CC(=O)C[C@@H]2[C@]1(C)C[C@H](O)[C@H](C)[C@@]2(C)CC/C(C)=C\C(=O)OC[C@H](O)CO ZINC000238770864 HF Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)[C@@]1(C)CC[C@H](OC(C)=O)[C@](C)(CCC2=O)O1 ZINC000238771225 HF Annotated Mild C=CC[C@]12C=C(OC)C(=O)[C@](OC)([C@H]1O)[C@@H](c1cc(OC)c3c(c1)OCO3)[C@@H]2C ZINC000238771278 HF Annotated Mild COc1cc(=O)oc(/C=C/C=C/C=C/[C@]2(C)O[C@]3(C)[C@H](C)O[C@@](C)([C@@H]3O)[C@@H]2O)c1C ZINC000238771388 HF Annotated Anodyne COC(=O)[C@H]1C[C@@]23CN(C)[C@H]4[C@H](C(=O)C(C)C)C[C@]2(CO)[C@H]4CCC2=C3[C@H]1CC2 ZINC000238771634 HF Annotated Anodyne CC(C)=C[C@H](C)C[C@H](C)/C=C/C(=O)NC1=C[C@@](O)(CCCCC(=O)O)[C@H]2O[C@H]2C1=O ZINC000238771773 HF Annotated Mild CC[C@@]1(OC)CC[C@]2(CO1)[C@@H]1C[C@@H](O)C3=C4C(=C(C(=O)OC)C[C@@]42CN(C)C1)CC3 ZINC000238771934 HF Annotated Anodyne C/C=C/c1occ(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)c(=O)c1OC(C)=O ZINC000238772971 HF Annotated Anodyne C=CC[C@@]12C=C(OC)C(=O)[C@@](OC)([C@H](c3cc(OC)c4c(c3)OCO4)[C@H]1C)[C@@H]2O ZINC000238773090 HF Annotated Mild CC(=O)O[C@H]1[C@@H]2CC(=O)[C@@H]3c4ccoc4C[C@@H]([C@H]32)[C@@]2(C)C(=O)CCC(C)(C)[C@]12O ZINC000238773115 HF Annotated Anodyne CC(=O)O[C@H]1[C@@H](OC(=O)[C@]2(C)O[C@@H]2C)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000238773586 HF Annotated Anodyne CN(C)CCc1cc2c(cc1/C(O)=C(\O)c1ccc3c(c1C(=O)O)OCO3)OCO2 ZINC000238774326 HF Annotated Anodyne COc1cc(O)c2c(c1)OC[C@H](c1ccc3c(c1OC)C[C@@H](O)C(C)(C)O3)C2=O ZINC000238774336 HF Annotated Anodyne C=C(C)[C@@H]1Cc2oc(cc2C(=O)OC)[C@@H](C(=C)C)[C@H]2OC(=O)/C(=C\[C@H]1O)[C@@H]2N(C)C ZINC000238774972 HF Annotated Mild C[C@]1(CCOS(=O)(=O)O)CC[C@@]2(O)C(=C[C@H]3OC(=O)[C@@]4(C)CCC[C@@]2(C)[C@H]34)C1 ZINC000238775391 HF Annotated Anodyne C[C@@H](CC(=O)c1cccc2oc3cc(=O)c4nc(C(=O)O)cc(O)c4c-3nc12)C(=O)O ZINC000238775514 HF Annotated Bother C=CC[C@]12C[C@@H](OC)[C@@H](O)C[C@]1(O)O[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]2C ZINC000238775635 HF Annotated Mild CC1=C[C@H]([C@H]2O[C@@H]3CCCN4[C@H]([C@@H]5C[C@H](C)C(=O)O5)CCC[C@H]4[C@H]3[C@@H]2C)OC1=O ZINC000238776127 HF Annotated Anodyne CC(=O)O[C@H](C)[C@@H](C)C(=O)O[C@H]1C[C@@H](C)[C@@H](O)C/C=C2\C[C@H](OC2=O)[C@H]1C(C)C ZINC000238776146 HF Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC/C(=C/C(=O)N(C)CCO)[C@H](C)[C@@H]3C(=O)C[C@@H]12 ZINC000238776468 HF Annotated Anodyne COc1cc2c(c(O)c1OC)N(C(C)=O)[C@H]1CC[C@@]34CCCN5CC[C@@]21[C@]53OCC4 ZINC000238776929 HF Annotated Anodyne C/C=C(/C)C(=O)O[C@@]1(C)C(=O)O[C@@H]2[C@H]3C(C)=CC(=O)C3=C(C)C[C@H](OC(C)=O)[C@H]21 ZINC000238777006 HF Annotated Mild CC[C@H]1O[C@@]2(C)[C@@H](O)[C@H](/C=C\C=C/C=C\c3oc(=O)cc(OC)c3C)O[C@]1(C)[C@H]2O ZINC000238778720 HF Annotated Anodyne CC(=O)OC[C@@]12CCC[C@]3(C)C(=O)O[C@H](C[C@@H](C)[C@]14CC[C@]1(CCOC1=O)O4)[C@H]32 ZINC000238778802 HF Annotated Anodyne COC(=O)C1=C2Nc3cc(O)ccc3[C@@]23CCN2CCC[C@@]([C@H](C)OC(C)=O)(C1)[C@H]23 ZINC000238779185 HF Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC/C(=C\C(=O)N(C)CCO)[C@H](C)[C@H]3[C@@H](O)C[C@@H]12 ZINC000238779410 HF Annotated Anodyne C=C(C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@](C)(OC(=O)C(=C)C)[C@H]12 ZINC000238780070 HF Annotated Mild CC(=O)O[C@H]1[C@@H](O[S@](=O)c2ccc(C)cc2)CCN1OC(=O)Cc1ccccc1 ZINC000238780165 HF Annotated Mild C/C=C(/COc1ccc(C[C@@]2(SC)C(=O)N(C)[C@H](SC)C(=O)N2C)cc1)OC ZINC000238780931 HF Annotated Anodyne CC(=O)OC/C(C)=C\CC[C@@]12O[C@@H](CC/C(C)=C\CO)[C@@](C)(CC[C@@H]1O)OC2=O ZINC000238781560 HF Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C(=O)OC)[C@H]1CCC1=CC(=O)O[C@H]1O ZINC000238782405 HF Annotated Mild CC[C@H](C)CC(=O)O[C@@H]1CC(C(=O)OC)=C[C@@H](OC(C)=O)[C@H]1OC(=O)[C@H](C)CC ZINC000238782985 HF Annotated Anodyne C=CC[C@]12C=C(OC)[C@H](O)[C@](OC)(C1=O)[C@H](c1cc(OC)c3c(c1)OCO3)[C@H]2C ZINC000238783270 HF Annotated Mild CC[C@H]1O[C@@]2(C)[C@@H](O)[C@H](/C=C/C=C\C=C/c3oc(=O)cc(OC)c3C)O[C@]1(C)[C@H]2O ZINC000238783829 HF Annotated Anodyne CC[C@H]1O[C@@]2(C)[C@@H](O)[C@H](/C=C\C=C\C=C/c3oc(=O)cc(OC)c3C)O[C@]1(C)[C@H]2O ZINC000238783833 HF Annotated Anodyne CC[C@H]1O[C@@]2(C)[C@@H](O)[C@H](/C=C/C=C/C=C\c3oc(=O)cc(OC)c3C)O[C@]1(C)[C@H]2O ZINC000238783837 HF Annotated Anodyne C=C[C@](C)(CC/C=C(\C)CC(=O)C=C(C)C)O[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1OC(C)=O ZINC000238784032 HF Annotated Mild COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(C)=O)C[C@@]1(O)C(C)(C)CC[C@H](O)[C@]21C ZINC000238784369 HF Annotated Anodyne C/C(=C\[C@H](O)[C@H](C)O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3[C@H](O)C[C@]12C ZINC000238784724 HF Annotated Mild CC(=O)O[C@H](C)[C@@H](C)C(=O)O[C@H]1C[C@@H](C)[C@H](O)C/C=C2\C[C@H](OC2=O)[C@H]1C(C)C ZINC000238784808 HF Annotated Anodyne COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cccc(OC)c5c4CC[N+]3([O-])C[C@H]2CC[C@H]1O ZINC000238785134 HF Annotated Bother CCC(=O)O[C@H]1[C@@H]2CC[C@@H]3/C(C)=C\C[C@@H](O)C(C)(C)C(=O)[C@@H](O)C[C@]13C[C@]2(C)O ZINC000238785932 HF Annotated Anodyne CO[C@H]1C[C@]2(CC[C@]3(O2)[C@@H](C)[C@H](O)C(=O)[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]23C)CO1 ZINC000238786095 HF Annotated Anodyne CC1=CC(=O)C[C@@H]2[C@]1(C)C[C@H](O)[C@H](C)[C@@]2(C)CC/C(C)=C\C(=O)OC(CO)CO ZINC000238786502 HF Annotated Mild CC1=C[C@@H]2/C=C(/C)CC[C@@H](O)[C@H](O)/C=C\C(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000238786835 HF Annotated Anodyne CC1=C[C@@H]2/C=C(\C)CC[C@@H](O)[C@H](O)/C=C\C(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000238786837 HF Annotated Anodyne CC1=C[C@@H]2/C=C(/C)CC[C@@H](O)[C@H](O)/C=C/C(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000238786838 HF Annotated Anodyne CC1=C[C@@H]2/C=C(\C)CC[C@@H](O)[C@H](O)/C=C/C(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000238786840 HF Annotated Anodyne COC(=O)[C@@]12CO[C@@H](O)[C@]3(CC[C@@H]1OC(C)=O)[C@H]1Cc4occc4[C@H](C)[C@@H]1CC[C@@H]23 ZINC000238786974 HF Annotated Anodyne CC(=O)O[C@H](C)[C@@H](C)C(=O)O[C@H]1C[C@@H](C)C(=O)C/C=C2\C[C@H](OC2=O)[C@H]1C(C)C ZINC000238787215 HF Annotated Anodyne CCCCCCCCC/C=C\C(=O)N[C@H]1C[C@@]2(O)C(=O)C=C[C@@H](Cl)[C@@H]2O[C@H]1O ZINC000238787669 HF Annotated Reactive CC(C)=CC[C@H]1CCC(=O)C2=C1C(=O)N[C@@H](Cc1c[nH]c3cc(O)ccc13)C(=O)N2 ZINC000238788687 HF Annotated Mild CC1=CC(=O)C[C@@H]2[C@]1(C)CC(=O)[C@H](C)[C@@]2(C)CC/C(C)=C\C(=O)OC(CO)CO ZINC000238789716 HF Annotated Mild CC1=CC(=O)C[C@@H]2[C@]1(C)CC(=O)[C@H](C)[C@@]2(C)CC/C(C)=C/C(=O)OC(CO)CO ZINC000238789717 HF Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@@](C)([C@H]2CC[C@@]3(C)O[C@H]3C2=O)O[C@@]1(C)COC(C)=O ZINC000238789757 HF Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cc(O)c(OC)cc1O ZINC000024798681 HF Annotated Anodyne in-vivo C[C@@H](CNS(C)(=O)=O)c1ccc(-c2ccc([C@@H](C)CNS(C)(=O)=O)cc2)cc1 ZINC000024962151 HF Annotated Anodyne in-vivo O=C(NCc1ccccc1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000245235140 HF Annotated Anodyne O=C(NCc1ccccc1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000245235141 HF Annotated Anodyne O=C(NCc1ccc(Cl)cc1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 ZINC000247468131 HF Annotated Anodyne O=C(NCc1ccc(Cl)cc1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 ZINC000247468139 HF Annotated Anodyne CCN(CC)CCN(C)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000247968704 HF Annotated Bother COc1ccc(CCN(C)c2ccc3[nH]c(=O)c(CCSC)nc3n2)cc1OC ZINC000002500104 HF Annotated Anodyne CCN(CC)C(=O)Cn1cnc2sc(C(=O)N3CCC(C)CC3)c(C)c2c1=O ZINC000002500405 HF Annotated Anodyne Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)O)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002501954 HF Annotated Mild Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)O)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002501955 HF Annotated Mild CN1C(=O)/C(=N\NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc21 ZINC000002632571 HF Annotated Reactive Nc1ccc(C(=O)N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1 ZINC000002645556 HF Annotated Reactive COC[C@H](C)n1c(C)cc(C(=O)CSc2nnnn2-c2ccc(O)cc2)c1C ZINC000002646806 HF Annotated Anodyne COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnnn2-c2ccc(O)cc2)c1C ZINC000002646807 HF Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccco1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000002664694 HF Annotated Bother Cc1c(C(=O)NCCN(C)c2ccccc2)sc2ncnc(N3CCOCC3)c12 ZINC000002911643 HF Annotated Anodyne CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCCN(CC)CC)c2c1C ZINC000002912246 HF Annotated Anodyne aggregator C[C@H]1CCCCN1C(=O)C/N=C(\O)Cn1cnc2sc3c(c2c1=O)CCCC3 ZINC000002924764 HF Annotated Mild C[C@@H]1CCCCN1C(=O)C/N=C(\O)Cn1cnc2sc3c(c2c1=O)CCCC3 ZINC000002924766 HF Annotated Mild Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2CCCCC(=O)O)no1 ZINC000002925508 HF Annotated Anodyne O=C(O)CCCCCn1c(SCC(=O)N2CCCC2)nc2ccsc2c1=O ZINC000002925617 HF Annotated Anodyne Cc1c(C(=O)N2CCCC2)sc2ncn(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)c(=O)c12 ZINC000002926672 HF Annotated Anodyne Cc1c(C(=O)N2CCCC2)sc2ncn(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)c12 ZINC000002926673 HF Annotated Anodyne Cc1c(C(=O)N2CCCC2)sc2ncn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c12 ZINC000002926674 HF Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC(C)CC3)c21 ZINC000002927888 HF Annotated Anodyne Cc1c(C(=O)N2CCN(C)CC2)sc2ncnc(N3CCc4ccccc4C3)c12 ZINC000002931552 HF Annotated Anodyne Cc1cc(=O)nc2c3ccccc3n(CC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)n12 ZINC000002947759 HF Annotated Anodyne Cc1cc(=O)nc2c3ccccc3n(CC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)n12 ZINC000002947760 HF Annotated Anodyne Cc1ncc(CO)c2cc(-c3nnc(Nc4ccc5c(c4)OCO5)s3)c(=O)oc12 ZINC000002955436 HF Annotated Anodyne O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCC2(CC1)OCCO2 ZINC000002970455 HF Annotated Anodyne O=C(NCc1ccccc1Cl)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250085201 HF Annotated Anodyne CC(C)OCCCNC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000250585279 HF Annotated Anodyne CC(C)OCCCNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000250585281 HF Annotated Anodyne COc1ccc2c(c1)O[C@@]13CCN(C)C[C@@H]1[C@H]2[C@H](C(=O)c1ccc(F)cc1)C(=O)N3 ZINC000250616665 HF Annotated Anodyne aggregator COc1ccc2c(c1)O[C@@]13CCN(C)C[C@H]1[C@H]2[C@@H](C(=O)c1ccc(F)cc1)C(=O)N3 ZINC000250616669 HF Annotated Anodyne aggregator COc1ccc2c(c1)O[C@@]13CCN(C)C[C@@H]1[C@H]2[C@@H](C(=O)c1ccc(F)cc1)C(=O)N3 ZINC000250616672 HF Annotated Anodyne aggregator C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@]12Cc1c(O)cc(CO)c(C=O)c1O2 ZINC000253388749 HF Annotated Anodyne C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@@]2(C)[C@@]12Cc1c(O)cc(CO)c(C=O)c1O2 ZINC000253388750 HF Annotated Anodyne C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@@]2(C)[C@]12Cc1c(O)cc(CO)c(C=O)c1O2 ZINC000253388751 HF Annotated Anodyne Nc1nn2c(O)cc(-c3ccccc3)nc2c1N=Nc1ccc(S(N)(=O)=O)cc1 ZINC000253531485 HF Annotated Clean C=CCNC(=O)[C@@H]1[C@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000253633714 HF Annotated Mild C=CCNC(=O)[C@H]1[C@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000253633718 HF Annotated Mild C=CCNC(=O)[C@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@H]2CC(=O)[C@H]1c1cc(O)ccc12 ZINC000253633720 HF Annotated Mild C=CCNC(=O)[C@@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@H]2CC(=O)[C@H]1c1cc(O)ccc12 ZINC000253633722 HF Annotated Mild O=S1(=O)CCC[C@@H]2Nc3ccnn3[C@@H](c3ccc(F)c(Br)c3)[C@H]21 ZINC000253633950 HF Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccccc1F ZINC000253634284 HF Annotated Anodyne O=C1C=CC2(Oc3cccc4cccc(c34)O2)C2=C1[C@@H](O)[C@@H]1[C@H]3C=C[C@@H](C3)[C@H]1[C@H]2O ZINC000253635770 HF Annotated Mild CC(=O)CC(=O)O[C@@]1(C)CC[C@H]2C[C@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000253636341 HF Annotated Reactive CC(=O)CC(=O)O[C@]1(C)CC[C@H]2C[C@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000253636344 HF Annotated Reactive O=C1N[C@H](c2ccccc2)C2(CCN(C[C@@H](O)[C@H]3COc4ccccc4O3)CC2)O1 ZINC000253636899 HF Annotated Anodyne O=C1N[C@H](c2ccccc2)C2(CCN(C[C@H](O)[C@H]3COc4ccccc4O3)CC2)O1 ZINC000253636901 HF Annotated Anodyne COc1cc(OC)c(NN=C2CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)cc1Cl ZINC000253636979 HF Annotated Mild COc1cc(OC)c(NN=C2CC[C@H](C)n3c2ncc(C(=O)O)c3=O)cc1Cl ZINC000253637043 HF Annotated Mild CN(C)C=NC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)N=CN(C)C ZINC000253639243 HF Annotated Mild CN(C)C=NC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)N=CN(C)C ZINC000253639246 HF Annotated Mild Cc1ccc(C)n1-c1ccc(C(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 ZINC000253664691 HF Annotated Clean Cc1ccc(C)n1-c1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 ZINC000253664696 HF Annotated Clean Cc1ccc(C)n1-c1ccc(C(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 ZINC000253664702 HF Annotated Clean COC(=O)c1cccc(-n2c(=O)n(C[C@H]3C[C@H]4CC[C@H]3C4)c(=O)c3cccnc32)c1 ZINC000253688503 HF Annotated Anodyne COC(=O)c1cccc(-n2c(=O)n(C[C@@H]3C[C@H]4CC[C@H]3C4)c(=O)c3cccnc32)c1 ZINC000253688512 HF Annotated Anodyne COc1ccc(C=NN=C2NC(=O)[C@H](CC(=O)Nc3ccccc3)S2)cc1OC ZINC000253732119 HF Annotated Mild COc1ccc(C=NN=C2NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)cc1OC ZINC000253732125 HF Annotated Mild Cc1cccc(OCC(=O)NCC(=O)N=Nc2c(O)[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000253920655 HF Annotated Clean Cc1ccc(C=c2nc(O)c(=Cc3ccc(SCCN(C)C)s3)nc2O)cc1 ZINC000253929983 HF Annotated Anodyne CC1(C)C[C@@H]2[C@H]1CC[C@@]1(O)C[C@@]2(C)CC[C@H]1N(O)c1ccc(C(=O)NCCO)cn1 ZINC000253951930 HF Annotated Anodyne CC1(C)C[C@@H]2[C@@H]1CC[C@@]1(O)C[C@@]2(C)CC[C@H]1N(O)c1ccc(C(=O)NCCO)cn1 ZINC000253951933 HF Annotated Anodyne CCOC(=O)Cn1c(O)c(N=NC(=O)CNC(=O)Cc2ccccc2)c2ccccc21 ZINC000253961361 HF Annotated Clean COc1ccc([C@@H]2C=C3CNS(=O)(=O)[C@@H]3C[C@H]2OC(=O)c2cccs2)cc1 ZINC000253977846 HF Annotated Anodyne COc1ccc([C@@H]2C=C3CNS(=O)(=O)[C@@H]3C[C@H]2OC(=O)c2cccc(C)c2)cc1 ZINC000253979476 HF Annotated Anodyne Cc1[nH]ncc1S(=O)(=O)N(C)[C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1 ZINC000254016522 HF Annotated Anodyne c1ccc(CN[C@@H]2C[C@H](NCc3ccccn3)C[C@H](NCc3ccccn3)C2)nc1 ZINC000254092440 HF Annotated Anodyne O[C@]1(c2c(F)c(F)c(F)c(F)c2F)[C@H]2[C@H]3C[C@H]4[C@@H]5[C@H](Br)[C@@](O)([C@@H]24)[C@@H]1[C@@H]35 ZINC000254092461 HF Annotated Reactive O[C@]1(c2c(F)c(F)c(F)c(F)c2F)[C@H]2[C@H]3C[C@H]4[C@H]5[C@@H]3[C@H]1[C@@](O)([C@H]5Br)[C@H]24 ZINC000254092463 HF Annotated Reactive O[C@]1(c2c(F)c(F)c(F)c(F)c2F)[C@H]2[C@H]3C[C@H]4[C@H]5[C@@H]3[C@H]1[C@@](O)([C@H]5Br)[C@@H]24 ZINC000254092464 HF Annotated Reactive NC(=NO)c1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=NO)c1ccccc1-2 ZINC000254092480 HF Annotated Mild Cc1cccc2cc(CNCCCN3CCCC3=O)c(N3CCN4CCC[C@H]4C3)nc12 ZINC000254095510 HF Annotated Anodyne O=NN(CC(=O)NN=C/C=C/c1ccccc1)CC(=O)NN=C/C=C/c1ccccc1 ZINC000254096165 HF Annotated Reactive O=NN(CC(=O)NN=C/C=C\c1ccccc1)CC(=O)NN=C/C=C\c1ccccc1 ZINC000254096167 HF Annotated Reactive O=NN(CC(=O)NN=C/C=C\c1ccccc1)CC(=O)NN=C/C=C/c1ccccc1 ZINC000254096169 HF Annotated Reactive CC(=O)O[C@H]1C[C@H]2C[C@H](OC(C)=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](C[C@@H](O)[C@@H]3O)[C@H]12 ZINC000254096505 HF Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C[C@H](OC(C)=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](C[C@@H](O)[C@@H]3O)[C@@H]12 ZINC000254096507 HF Annotated Anodyne C[C@@H]1CCC[C@@H]2O[C@H]2C=C[C@H](O)C[C@@H](O)CC=CC=C[C@@H](O)CC=CC=CC(=O)O1 ZINC000254112261 HF Annotated Anodyne Cc1nc(O[C@H]2C(C)(C)[C@H](NC(=O)c3cnc4ncccn34)C2(C)C)ccc1C#N ZINC000254119980 HF Annotated Mild C[C@@H]1CCCC=C[C@@H]2O[C@@H](CC=CC=C[C@@H](O)CC=CC=CC(=O)O1)C[C@@H](O)[C@H]2O ZINC000254129084 HF Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C[C@H](OC(C)=O)[C@@H]1[C@@H]3C[C@@H](O)[C@H](O)[C@@]3(C)CC[C@H]12 ZINC000254134944 HF Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C[C@H](OC(C)=O)[C@H]1[C@@H]3C[C@@H](O)[C@H](O)[C@@]3(C)CC[C@H]12 ZINC000254134949 HF Annotated Anodyne Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)N[C@@H]1CC[C@@H](O)CC1 ZINC000254135230 HF Annotated Anodyne C=C(C)[C@@H]1Cc2oc(cc2C(=O)OC)[C@H](C(=C)C)[C@@H]2OC(=O)C(=C[C@H]1O)[C@H]2N(C)C ZINC000254141762 HF Annotated Mild C=C(C)[C@@H]1Cc2oc(cc2C(=O)OC)[C@@H](C(=C)C)[C@@H]2OC(=O)C(=C[C@H]1O)[C@H]2N(C)C ZINC000254141766 HF Annotated Mild C=C(C)[C@@H]1Cc2oc(cc2C(=O)OC)[C@H](C(=C)C)[C@@H]2OC(=O)C(=C[C@@H]1O)[C@H]2N(C)C ZINC000254141769 HF Annotated Mild C=C(C)[C@@H]1c2cc(C(=O)OC)c(o2)C[C@@H](C(=C)C)[C@@H](O)C=C2C(=O)O[C@@H]1[C@@H]2N(C)C ZINC000254141770 HF Annotated Mild CC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H](N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)CC2)cn1 ZINC000254142641 HF Annotated Anodyne CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@H]1OC(=S)c1ccccc1 ZINC000254143442 HF Annotated Anodyne CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@@H]1OC(=S)c1ccccc1 ZINC000254143445 HF Annotated Anodyne CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@H]1OC(=S)c1ccccc1 ZINC000254143447 HF Annotated Anodyne CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1OC(=S)c1ccccc1 ZINC000254143448 HF Annotated Anodyne CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](OC(=S)c2ccccc2)[C@H]1O ZINC000254145287 HF Annotated Anodyne CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](OC(=S)c2ccccc2)[C@@H]1O ZINC000254145290 HF Annotated Anodyne CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](OC(=S)c2ccccc2)[C@@H]1O ZINC000254145293 HF Annotated Anodyne CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](OC(=S)c2ccccc2)[C@H]1O ZINC000254145297 HF Annotated Anodyne CCCn1c(=NC(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 ZINC000254294719 HF Annotated Bother CCOC(=O)c1ccc(N=c2sc(C(=O)OC)cc(=O)n2Cc2ccco2)cc1 ZINC000254295532 HF Annotated Anodyne O=C(COc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 ZINC000254296023 HF Annotated Mild O=C(COc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 ZINC000254296027 HF Annotated Mild O=C(COc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 ZINC000254296028 HF Annotated Mild O=C(COc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 ZINC000254296031 HF Annotated Mild O=C(CN1C[C@@H](c2ccccc2)CC1=O)NN=Cc1cc(Br)ccc1O ZINC000254307604 HF Annotated Reactive aggregator O=C(CN1C[C@H](c2ccccc2)CC1=O)NN=Cc1cc(Br)ccc1O ZINC000254307608 HF Annotated Reactive aggregator CCn1c(=NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2cccc(OC)c21 ZINC000254312831 HF Annotated Anodyne O=C(CCc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 ZINC000254315613 HF Annotated Mild O=C(CCc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 ZINC000254315617 HF Annotated Mild O=C(CCc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 ZINC000254315619 HF Annotated Mild O=C(CCc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 ZINC000254315624 HF Annotated Mild COC(=O)c1cc(=O)n(Cc2ccc3c(c2)OCO3)c(=Nc2ccc(F)cc2)s1 ZINC000254344992 HF Annotated Anodyne aggregator COCCn1c(=NC(=O)CCS(=O)(=O)c2ccccc2)sc2cc(C)ccc21 ZINC000254347505 HF Annotated Anodyne COc1ccccc1C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 ZINC000254351968 HF Annotated Mild COc1ccccc1C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 ZINC000254351976 HF Annotated Mild COc1ccccc1C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 ZINC000254351985 HF Annotated Mild COc1ccccc1C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 ZINC000254351992 HF Annotated Mild CN(C)c1nc(NCc2ccccc2)nc(NN=Cc2cc([N+](=O)[O-])ccc2O)n1 ZINC000254391222 HF Annotated Mild CN(C)c1ccc(N2C(=NC(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254407463 HF Annotated Mild CN(C)c1ccc(N2C(=NC(=O)c3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254407468 HF Annotated Mild CN(C)c1ccc(N2C(=NC(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254407473 HF Annotated Mild CN(C)c1ccc(N2C(=NC(=O)c3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254407477 HF Annotated Mild COc1cccc(N2C(=NC(=O)c3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254412323 HF Annotated Mild COc1cccc(N2C(=NC(=O)c3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254412326 HF Annotated Mild COc1cccc(N2C(=NC(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254412329 HF Annotated Mild COc1cccc(N2C(=NC(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254412331 HF Annotated Mild CC(C)CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl ZINC000254419356 HF Annotated Mild CC(C)CC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl ZINC000254419358 HF Annotated Mild CC(C)CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl ZINC000254419360 HF Annotated Mild CC(C)CC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl ZINC000254419362 HF Annotated Mild CCn1c(=NC(=O)CS(=O)(=O)c2ccc(C)cc2)sc2cccc(OC)c21 ZINC000254451072 HF Annotated Anodyne COCCn1c(=NC(=O)CCS(=O)(=O)c2ccccc2)sc2ccccc21 ZINC000254463318 HF Annotated Anodyne COC(=O)Cn1c(=NC(=O)c2ccc(OC)c(OC)c2)sc2cc(OC)ccc21 ZINC000254490584 HF Annotated Anodyne COc1ccccc1N1C(=NC(=O)C2CCCCC2)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000254501254 HF Annotated Mild COc1ccccc1N1C(=NC(=O)C2CCCCC2)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000254501258 HF Annotated Mild COc1ccccc1N1C(=NC(=O)C2CCCCC2)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000254501262 HF Annotated Mild COc1ccccc1N1C(=NC(=O)C2CCCCC2)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000254501266 HF Annotated Mild COC(=O)Cn1c(=NC(=O)c2cc(OC)cc(OC)c2)sc2cc(OC)ccc21 ZINC000254508977 HF Annotated Anodyne O=C(COc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F ZINC000254520559 HF Annotated Mild O=C(COc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F ZINC000254520562 HF Annotated Mild O=C(COc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F ZINC000254520567 HF Annotated Mild O=C(COc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F ZINC000254520569 HF Annotated Mild COc1cccc2sc(=NC(=O)CCS(=O)(=O)c3ccc(C)cc3)n(C)c12 ZINC000254567648 HF Annotated Anodyne CC(C)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254571513 HF Annotated Mild CC(C)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254571515 HF Annotated Mild CC(C)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254571517 HF Annotated Mild CC(C)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254571518 HF Annotated Mild C=CCn1c(=NC(=O)c2ccccc2[N+](=O)[O-])sc2cc(S(C)(=O)=O)ccc21 ZINC000254591268 HF Annotated Mild CCn1c(=NC(=O)CS(=O)(=O)c2ccc(F)cc2)sc2cccc(OC)c21 ZINC000254592908 HF Annotated Anodyne O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1)C1CCCCC1 ZINC000254594776 HF Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1)C1CCCCC1 ZINC000254594780 HF Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1)C1CCCCC1 ZINC000254594784 HF Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1)C1CCCCC1 ZINC000254594788 HF Annotated Mild C[C@H](Oc1ccccc1)C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 ZINC000254668692 HF Annotated Mild C[C@H](Oc1ccccc1)C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 ZINC000254668699 HF Annotated Mild C[C@H](Oc1ccccc1)C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 ZINC000254668705 HF Annotated Mild C[C@H](Oc1ccccc1)C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 ZINC000254668711 HF Annotated Mild CCCCc1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254707633 HF Annotated Mild CCCCc1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254707634 HF Annotated Mild CCCCc1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254707635 HF Annotated Mild CCCCc1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254707636 HF Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000254741665 HF Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000254741666 HF Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000254741667 HF Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000254741668 HF Annotated Mild COc1cccc2sc(=NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)n(C)c12 ZINC000254756621 HF Annotated Anodyne CCC(CC)C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(OC)cc1 ZINC000254756922 HF Annotated Mild CCC(CC)C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(OC)cc1 ZINC000254756923 HF Annotated Mild CCC(CC)C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(OC)cc1 ZINC000254756924 HF Annotated Mild CCC(CC)C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(OC)cc1 ZINC000254756925 HF Annotated Mild COc1ccc(N2C(=NC(=O)C3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254770104 HF Annotated Mild COc1ccc(N2C(=NC(=O)C3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254770106 HF Annotated Mild COc1ccc(N2C(=NC(=O)C3CCCCC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254770107 HF Annotated Mild COc1ccc(N2C(=NC(=O)C3CCCCC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254770109 HF Annotated Mild COc1ccc(CN2C(=NC(=O)C3CCCCC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254800991 HF Annotated Mild COc1ccc(CN2C(=NC(=O)C3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254800992 HF Annotated Mild COc1ccc(CN2C(=NC(=O)C3CCCCC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254800993 HF Annotated Mild COc1ccc(CN2C(=NC(=O)C3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254800995 HF Annotated Mild CCOc1cccc2sc(=NC(=O)CS(=O)(=O)c3ccc(F)cc3)n(C)c12 ZINC000254804175 HF Annotated Anodyne O=C(CCc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 ZINC000254808987 HF Annotated Mild O=C(CCc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 ZINC000254808988 HF Annotated Mild O=C(CCc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 ZINC000254808989 HF Annotated Mild O=C(CCc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 ZINC000254808990 HF Annotated Mild COc1cccc(N2C(=NC(=O)C3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254825694 HF Annotated Mild COc1ccc(C)c2sc(=NC(=O)c3cccc(N4C(=O)CCC4=O)c3)n(C)c12 ZINC000254833071 HF Annotated Anodyne COc1ccccc1CN1C(=NC(=O)C2CCCCC2)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000254837521 HF Annotated Mild COc1ccccc1CN1C(=NC(=O)C2CCCCC2)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000254837522 HF Annotated Mild COc1ccccc1CN1C(=NC(=O)C2CCCCC2)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000254837523 HF Annotated Mild COc1ccccc1CN1C(=NC(=O)C2CCCCC2)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000254837524 HF Annotated Mild O=C(COc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1 ZINC000254840271 HF Annotated Mild O=C(COc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(F)c1 ZINC000254840272 HF Annotated Mild O=C(COc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1 ZINC000254840274 HF Annotated Mild O=C(COc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(F)c1 ZINC000254840276 HF Annotated Mild COc1cccc(N2C(=NC(=O)C3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254845886 HF Annotated Mild COc1cccc(N2C(=NC(=O)C3CCCCC3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254845889 HF Annotated Mild COc1cccc(N2C(=NC(=O)C3CCCCC3)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254845892 HF Annotated Mild COc1ccc(CN2C(=NC(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254849305 HF Annotated Mild COc1ccc(CN2C(=NC(=O)c3ccccc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254849306 HF Annotated Mild COc1ccc(CN2C(=NC(=O)c3ccccc3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254849307 HF Annotated Mild COc1ccc(CN2C(=NC(=O)c3ccccc3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254849308 HF Annotated Mild CCOC(=O)Cn1c(=NC(=O)c2cccs2)sc2cc(C(=O)OC)ccc21 ZINC000254867738 HF Annotated Anodyne aggregator CNC(=O)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C(=Nc2ccc(F)cc2)S1 ZINC000254873091 HF Annotated Mild CNC(=O)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C(=Nc2ccc(F)cc2)S1 ZINC000254873093 HF Annotated Mild COCCn1c(=NC(=O)CCS(=O)(=O)c2ccccc2)sc2cc(F)ccc21 ZINC000254893730 HF Annotated Anodyne COc1cc2c[n+](C)c3c(c2cc1OC)Cc1c-3ccc(OS(C)(=O)=O)c1OC ZINC000025982883 HF Annotated Anodyne CCC/N=c1\c(O)c(O)\c1=N/[C@@H](Cc1ccc(-c2ccccc2OC)cc1)C(=O)O ZINC000025995314 HF Annotated Anodyne C[C@@H]1CCC/C=C/[C@@H]2O[C@@H](C/C=C\C=C\[C@H](O)C/C=C/C=C\C(=O)O1)C[C@@H](O)[C@H]2O ZINC000255204236 HF Annotated Anodyne C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C=O)[C@@]1(O)C[C@H](O)[C@@H]2c1ccc(=O)oc1 ZINC000255204700 HF Annotated Mild C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C=O)[C@@]1(O)C[C@H](O)[C@H]2c1ccc(=O)oc1 ZINC000255204701 HF Annotated Mild CO[C@H]1O[C@H]2C[C@@H]3[C@@](C)([C@@H]4C[C@H]5C=CO[C@H]5O4)[C@H](C)C[C@H](OC(C)=O)[C@@]13[C@@]1(CO1)C2 ZINC000255204782 HF Annotated Anodyne C=C1[C@H]2CC[C@]3([C@H]([C@H]2OC(C)=O)[C@]24[C@@H](O)CCC(C)(C)[C@H]2C[C@H]3[C@H]4N(C)CC)[C@@H]1O ZINC000255212437 HF Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]2C(=O)C[C@]2(C)[C@H](C(C)=O)CC(=O)[C@]32O)C1 ZINC000255218935 HF Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C)O[C@H](O[C@@]2(C)CC[C@@H]3[C@H]([C@H]4[C@@H]2CC[C@H]4C)C3(C)C)[C@@H](O)[C@H]1O ZINC000255220724 HF Annotated Anodyne CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](OC)([C@@H](C[C@@H]32)[C@@H]14)[C@H]5[C@H]6O ZINC000255259986 HF Annotated Anodyne C[C@]12CC[C@H](O)C[C@H]1CC[C@H]1C3=C[C@H](O)[C@H](c4ccc(=O)oc4)[C@@]3(C)C[C@@H](O)[C@@H]12 ZINC000255261761 HF Annotated Anodyne C[C@H](O)C[C@H]1C[C@H](O)/C=C/C=C/C=C/C[C@H](O)C[C@@H](O)C/C=C/C=C/C=C/C(=O)O1 ZINC000255264303 HF Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000255269676 HF Annotated Mild C[C@@]12CC[C@@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@@]34C=O)[C@@]13O[C@H]3C[C@H]2c1ccc(=O)oc1 ZINC000255270322 HF Annotated Mild C=C1[C@H]2C[C@]3([C@@H](C[C@@H]2OC(C)=O)[C@]24[C@@H]5CC[C@]6(C)[C@H]2C[C@H]3[C@H]4N(CC)[C@@H]6OC5)[C@@H]1O ZINC000255276833 HF Annotated Mild CC(=O)O[C@@H]1[C@H]2O[C@]3(C)O[C@@]4(CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]24)[C@@]2(O)CC[C@@H]3[C@@]12C ZINC000255278180 HF Annotated Anodyne C[C@H]1[C@@H]2CC(=O)C3=C(C(=O)[C@H](O)[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CCO)[C@@]2(C)CC[C@H]1O ZINC000255279932 HF Annotated Mild CC(=O)O[C@@H]1[C@H]2O[C@H]3N4CCO[C@@H]4[C@]4(C)CCC[C@@]3([C@@H]3C[C@@H]5CC[C@]23C[C@]5(C)O)[C@H]14 ZINC000255287870 HF Annotated Anodyne CC(=O)O[C@H]1[C@H]2O[C@H]3N4CCO[C@@H]4[C@@]4(C)CCC[C@]3([C@H]14)[C@@H]1C[C@@H]3CC[C@]21C[C@@]3(C)O ZINC000255287871 HF Annotated Anodyne CC(=O)O[C@@H]1[C@H]2O[C@H]3N4CCO[C@H]4[C@]4(C)CCC[C@]3([C@H]14)[C@@H]1C[C@@H]3CC[C@]21C[C@]3(C)O ZINC000255287872 HF Annotated Anodyne CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@H](OC(=O)CC(C)C)[C@@]21CO1 ZINC000257384173 HF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@@H]2CC(=O)C([C@H](C)C(=O)OC)=C[C@]2(C)[C@H]1C(=O)OC ZINC000257403475 HF Annotated Mild C[C@H](O)C[C@@H]1C/C=C/C=C/C=C/[C@H](O)C[C@@H](O)C[C@@H](O)C/C=C/C=C/C=C/C(=O)O1 ZINC000257421764 HF Annotated Anodyne C[C@H](O)C[C@@H]1C/C=C/C=C/C=C/[C@H](O)C[C@@H](O)C[C@H](O)C/C=C/C=C/C=C/C(=O)O1 ZINC000257421765 HF Annotated Anodyne C[C@H](O)C[C@@H]1C/C=C/C=C/C=C/[C@H](O)C[C@H](O)C[C@@H](O)C/C=C/C=C/C=C/C(=O)O1 ZINC000257421766 HF Annotated Anodyne CC[C@@H]1O[C@@H]2O[C@H](/C=C\C=C\C=C\c3oc(=O)cc(OC)c3C)[C@H](O)[C@@]2(C)[C@@]1(C)O ZINC000257427936 HF Annotated Anodyne CC[C@@H]1O[C@@H]2O[C@H](/C=C\C=C\C=C\c3oc(=O)cc(OC)c3C)[C@H](O)[C@]2(C)[C@]1(C)O ZINC000257427937 HF Annotated Anodyne CC[C@@H]1O[C@@H]2O[C@H](/C=C\C=C\C=C\c3oc(=O)cc(OC)c3C)[C@H](O)[C@@]2(C)[C@]1(C)O ZINC000257427938 HF Annotated Anodyne CC[C@@H]1O[C@@H]2O[C@H](/C=C\C=C\C=C\c3oc(=O)cc(OC)c3C)[C@H](O)[C@]2(C)[C@@]1(C)O ZINC000257427939 HF Annotated Anodyne CC(=O)N[C@H](C(=O)O[C@H](/C=C/C=C\C=C\C(=O)O)[C@]1(C)CO1)[C@H](C)c1ccccc1 ZINC000257434196 HF Annotated Anodyne CC(=O)N[C@H](C(=O)O[C@H](/C=C/C=C\C=C\C(=O)O)[C@@]1(C)CO1)[C@H](C)c1ccccc1 ZINC000257434197 HF Annotated Anodyne COc1cc([C@@H]2OC[C@@H]3[C@H](c4ccc(O)c(OC)c4)OC[C@]23OC(C)=O)ccc1O ZINC000257489817 HF Annotated Anodyne COc1cc([C@@H]2OC[C@H]3[C@H](c4ccc(O)c(OC)c4)OC[C@]23OC(C)=O)ccc1O ZINC000257489818 HF Annotated Anodyne C[C@H](O)C[C@@H]1C[C@H](O)/C=C/C=C/C=C/C[C@H](O)C[C@@H](O)C/C=C/C=C/C=C/C(=O)O1 ZINC000257539597 HF Annotated Anodyne C[C@H](O)C[C@@H]1C[C@H](O)/C=C/C=C/C=C/C[C@@H](O)C[C@@H](O)C/C=C/C=C/C=C/C(=O)O1 ZINC000257539598 HF Annotated Anodyne C[C@H](O)C[C@@H]1C[C@H](O)/C=C/C=C/C=C/C[C@@H](O)C[C@H](O)C/C=C/C=C/C=C/C(=O)O1 ZINC000257539599 HF Annotated Anodyne CC1(C)[C@@H](OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c2ccccc2F)[C@@]2(C)CC[C@@H]1C2 ZINC000026004205 HF Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccccc1F ZINC000026004212 HF Annotated Anodyne Cc1cc(-n2ccc(=O)[nH]c2=O)cc(Cl)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000026016761 HF Annotated Anodyne COc1ccc(C#CC[C@@]2(S(=O)(=O)c3ccccc3)SC(=O)NC2=O)cc1 ZINC000026025726 HF Annotated Mild COc1ccc(C#CC[C@]2(S(=O)(=O)c3ccccc3)SC(=O)NC2=O)cc1 ZINC000026025732 HF Annotated Mild Cc1cccc(S(=O)(=O)[C@@]2(CC#Cc3ccc(Cl)cc3)SC(=O)NC2=O)n1 ZINC000026026626 HF Annotated Mild Cc1cccc(S(=O)(=O)[C@]2(CC#Cc3ccc(Cl)cc3)SC(=O)NC2=O)n1 ZINC000026026634 HF Annotated Mild COc1ccc(S(=O)(=O)[C@@]2(CC#Cc3ccccc3)SC(=O)NC2=O)cc1 ZINC000026027126 HF Annotated Mild COc1ccc(S(=O)(=O)[C@]2(CC#Cc3ccccc3)SC(=O)NC2=O)cc1 ZINC000026027133 HF Annotated Mild COc1ccc(C#CC[C@@]2(S(=O)(=O)c3ccc(C)cc3)SC(=O)NC2=O)cc1 ZINC000026028768 HF Annotated Mild COc1ccc(C#CC[C@]2(S(=O)(=O)c3ccc(C)cc3)SC(=O)NC2=O)cc1 ZINC000026028773 HF Annotated Mild O=C(O)COC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3cccc(Cl)c3)[C@H]2C1 ZINC000026151168 HF Annotated Reactive COc1cc(N2C(=O)[C@H](OC(C)=O)[C@@H]2c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000026162024 HF Annotated Clean COc1cc(N2C(=O)[C@H](OC(C)=O)[C@H]2c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000026162031 HF Annotated Clean COc1cc(N2C(=O)[C@@H](OC(C)=O)[C@@H]2c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000026162040 HF Annotated Clean COc1cc(N2C(=O)[C@@H](OC(C)=O)[C@H]2c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000026162047 HF Annotated Clean CN(C)c1ncnc2c1nc(Br)n2Cc1cccc(N2CCCC2=O)c1 ZINC000026163553 HF Annotated Anodyne COC(=O)Nc1cccc(Cn2c(Br)nc3c(N(C)C)ncnc32)c1 ZINC000026166557 HF Annotated Anodyne CCO[P@@](=O)(OCCC(OC(C)=O)OC(C)=O)N(CCCl)CCCl ZINC000026166601 HF Annotated Reactive CCO[P@](=O)(OCCC(OC(C)=O)OC(C)=O)N(CCCl)CCCl ZINC000026166606 HF Annotated Reactive COc1ccc([C@@H]2[C@@H](OC)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000026169124 HF Annotated Bother COc1ccc([C@@H]2[C@H](OC)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000026169129 HF Annotated Bother COc1ccc([C@H]2[C@@H](OC)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000026169134 HF Annotated Bother COc1ccc([C@H]2[C@H](OC)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000026169139 HF Annotated Bother O=C(O)COC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3cccc(Cl)c3)[C@H]2C1 ZINC000026171247 HF Annotated Reactive CO[C@@H](/C=C/c1ccc(C(=N)N)cc1)C(C)(C)C(=O)N1CCC(CC(=O)O)CC1 ZINC000026178338 HF Annotated Anodyne CO[C@H](/C=C/c1ccc(C(=N)N)cc1)C(C)(C)C(=O)N1CCC(CC(=O)O)CC1 ZINC000026178344 HF Annotated Anodyne CCOC(=O)c1c(SC)nn(-c2nc3cc(Cl)ccc3c(=O)n2CC)c1N ZINC000026187330 HF Annotated Anodyne COC(=O)c1cc2c([nH]1)C(=O)C=C1N(C(=O)c3cc4cccc(OC)c4[nH]3)C[C@H]3C[C@]123 ZINC000026279713 HF Annotated Mild CN1[C@@H](Cc2ccccc2)C(=O)N(CSc2nc3ccccc3o2)S1(=O)=O ZINC000026281105 HF Annotated Anodyne CN1[C@H](Cc2ccccc2)C(=O)N(CSc2nc3ccccc3o2)S1(=O)=O ZINC000026281111 HF Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(C[n+]4cccc5ccccc54)cc3)C[C@H]12 ZINC000026282959 HF Annotated Anodyne COC(=O)CCC[C@H](O)[C@H](O)/C=C/C=C/C=C/C=C/[C@H](O)COc1ccc(F)cc1 ZINC000026283164 HF Annotated Anodyne CO/N=C(\C)C=C1CCN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC1 ZINC000026293558 HF Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(N3CCC(=C/C(C)=N/O)CC3)c(F)c2)C(=O)O1 ZINC000026293565 HF Annotated Mild CN(C)CCn1c(=O)c2cc([N+](=O)[O-])ccc2c2cnc3cc4c(cc3c21)OCO4 ZINC000026296362 HF Annotated Bother CN(C)CCn1c(=O)c2cccc([N+](=O)[O-])c2c2cnc3cc4c(cc3c21)OCO4 ZINC000026376100 HF Annotated Bother COc1ccc(C(=O)N[C@H](C(=O)NCC2CCN(C(C)C)CC2)c2ccco2)cc1 ZINC000026376454 HF Annotated Anodyne CN(C)CCn1c(=O)c2ccc([N+](=O)[O-])cc2c2cnc3cc4c(cc3c21)OCO4 ZINC000026378810 HF Annotated Bother C[C@@](O)(C(=O)Nc1ccc(C(=O)NCCCCCC(=O)O)cc1Cl)C(F)(F)F ZINC000026379693 HF Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2c(F)c(F)c(N3CC[C@@]4(CCN(C)C4)C3)c(F)c21 ZINC000026380542 HF Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2c(F)c(F)c(N3CC[C@]4(CCN(C)C4)C3)c(F)c21 ZINC000026380545 HF Annotated Anodyne CC(=O)Nc1ccc2c3c(cccc13)C(=O)N(CCCn1ccnc1[N+](=O)[O-])C2=O ZINC000026381489 HF Annotated Bother COc1cccc(N2CCN([C@@H](c3ccccn3)c3nnnn3C(C)(C)C)CC2)c1 ZINC000026438893 HF Annotated Anodyne COc1cccc(N2CCN([C@H](c3ccccn3)c3nnnn3C(C)(C)C)CC2)c1 ZINC000026438897 HF Annotated Anodyne O=S(=O)(O)c1ccc2[nH]c3c(ncc4[nH]c5ccc(S(=O)(=O)O)cc5c43)c2c1 ZINC000026475932 HF Annotated Bother Cc1nc2ccc(SCC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)cc2s1 ZINC000026488381 HF Annotated Anodyne CC[C@@]1(COC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000026490767 HF Annotated Anodyne Cc1cc(CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)[nH]n1 ZINC000261080403 HF Annotated Anodyne N#C[C@H]1C[C@H](NC2(O)CC2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000261081173 HF Annotated Mild N#C[C@H]1C[C@H](NC2(O)CC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000261081174 HF Annotated Mild COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnc(OC)nc3)c2cn1)c1ccccc1 ZINC000261082584 HF Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)CCC#N)n3)C2)cc1 ZINC000261091013 HF Annotated Mild O=C(NS(=O)(=O)N1CCC1)c1cc(Cl)c(OCC2C[C@H]3C[C@@H]3C2)cc1F ZINC000261093183 HF Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(Cl)c(OCC2C[C@@H]3C[C@H]3C2)cc1F ZINC000261093185 HF Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(Cl)c(OC[C@H]2C[C@@H]3C[C@@H]3C2)cc1F ZINC000261093188 HF Annotated Anodyne CCNC(=O)[C@H]1C[C@H]1c1n[nH]c2cc(NC(=O)N[C@H](COC)c3ccccc3)ncc12 ZINC000261093251 HF Annotated Anodyne O=c1c(Cl)c(NCCN2CCOCC2)cnn1-c1cc(Cl)cc(Cl)c1 ZINC000261102410 HF Annotated Anodyne Cn1c(C(=O)NNC(=O)Nc2ccco2)cc(Br)c1Br ZINC000261118517 HF Annotated Reactive Cc1nn(C2CNC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000261118547 HF Annotated Anodyne Cc1nn(C2CNC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000261118548 HF Annotated Anodyne [C-]#[N+][C@H]1C[C@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000261120689 HF Annotated Reactive CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)NCCC#N ZINC000261141064 HF Annotated Mild CS(=O)(=O)NC(=O)c1ccc(OCC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c(Cl)c1 ZINC000261144445 HF Annotated Anodyne CC(=O)N(C)[C@@H]1CCN(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc2)C1 ZINC000261158057 HF Annotated Anodyne CC(=O)N(C)[C@@H]1CCN(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@H]4C)C3)cc2)C1 ZINC000261158059 HF Annotated Anodyne CC(=O)N(C)[C@@H]1CCN(C(=O)Nc2ccc(N3CC[C@@H](N4CCC[C@H]4C)C3)cc2)C1 ZINC000261158060 HF Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)NCc3cccnn3)c2cn1)c1ccccc1 ZINC000261159250 HF Annotated Anodyne CC(=O)N1CCN(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@H]4C)C3)c(C)c2)CC1 ZINC000261160965 HF Annotated Anodyne CC(=NNC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1)c1cccc(Br)c1 ZINC000261164768 HF Annotated Reactive CC(C)C[C@@H](O)CNC(=O)c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 ZINC000261166294 HF Annotated Anodyne CC(C)C[C@H](O)CNC(=O)c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 ZINC000261166297 HF Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)NC[C@@H]3CCOC3)c2cn1)c1ccccc1 ZINC000261181008 HF Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)NC[C@H]3CCOC3)c2cn1)c1ccccc1 ZINC000261181011 HF Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OC[C@H]2C[C@H]3CC[C@H]2C3)cc1F ZINC000261192482 HF Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OC[C@@H]2C[C@H]3CC[C@H]2C3)cc1F ZINC000261192483 HF Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@H]2C[C@@H]3C[C@@H]3C2)cc1F ZINC000261193305 HF Annotated Anodyne O=C(NCc1ccc(F)c(F)c1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 ZINC000263590652 HF Annotated Anodyne O=C(NCc1ccc(F)c(F)c1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 ZINC000263590653 HF Annotated Anodyne O=C(NCc1ccc(F)c(F)c1)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 ZINC000263590654 HF Annotated Anodyne CN(Cc1ccccc1F)C(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 ZINC000263590769 HF Annotated Anodyne CN(Cc1ccccc1F)C(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 ZINC000263590770 HF Annotated Anodyne CN(Cc1ccccc1F)C(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 ZINC000263590771 HF Annotated Anodyne CN(Cc1ccccc1F)C(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 ZINC000263590772 HF Annotated Anodyne O=C(NCc1c(F)cccc1F)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 ZINC000263590879 HF Annotated Anodyne O=C(NCc1c(F)cccc1F)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 ZINC000263590880 HF Annotated Anodyne O=C(NCc1c(F)cccc1F)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 ZINC000263590881 HF Annotated Anodyne O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccco2)ccc1NN=Cc1ccccn1 ZINC000263590903 HF Annotated Mild CCOC(=O)C1=CN(Cc2cccc(-c3cccnc3)c2)S(=O)(=O)N(C)[C@H]1C ZINC000263591610 HF Annotated Anodyne CCN(CC)c1ccc(N2C(=NC(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000263591753 HF Annotated Mild CCN(CC)c1ccc(N2C(=NC(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000263591754 HF Annotated Mild CCN(CC)c1ccc(N2C(=NC(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000263591755 HF Annotated Mild CCN(CC)c1ccc(N2C(=NC(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000263591756 HF Annotated Mild CN=c1scc(C)n1NC=C1C=C(Br)C(=O)C(Br)=C1 ZINC000263591950 HF Annotated Mild Cc1ccc(N=c2c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)n2O)c(Cl)c1 ZINC000263591971 HF Annotated Bother CCOc1ncccc1C(=O)N=C1SCCN1C(=O)c1cccnc1OCC ZINC000263591973 HF Annotated Mild CC(C)CCN1CCN(C2CCN(c3ccc4c(c3)OCO4)CC2)C[C@H]1CCO ZINC000263592031 HF Annotated Clean N#CC(=C=N)C1=C(C#N)[C@H](c2ccccc2F)[C@H]([n+]2ccccc2)[C@](O)(C2CC2)N1 ZINC000263592086 HF Annotated Reactive N#CC(=C=N)C1=C(C#N)[C@H](c2ccccc2F)[C@@H]([n+]2ccccc2)[C@](O)(C2CC2)N1 ZINC000263592087 HF Annotated Reactive C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000263592099 HF Annotated Anodyne C[C@@H]1[C@@H](NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)CCC[C@H]1C ZINC000263592100 HF Annotated Anodyne COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)NCc2ccccn2)c(OC)c1 ZINC000263592254 HF Annotated Anodyne COc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)NCc2ccccn2)c(OC)c1 ZINC000263592255 HF Annotated Anodyne Cc1ccc([C@@H]2C[C@H](C(F)(F)F)N3NC(C(=O)NC[C@H]4CCCO4)=CC3=N2)cc1 ZINC000263592308 HF Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)N3NC(C(=O)NC[C@H]4CCCO4)=CC3=N2)cc1 ZINC000263592309 HF Annotated Anodyne CC[C@H](C)NC(=O)C1=CNN2C1=N[C@@H](c1ccc3c(c1)OCO3)C[C@H]2C(F)(F)F ZINC000263592342 HF Annotated Anodyne COc1ccc2c(c1)C=C([N+](=O)[O-])[C@H]([C@@H]1OC(C)(C)O[C@H]1[C@H]1COC(C)(C)O1)O2 ZINC000263611433 HF Annotated Anodyne CCN1C[C@]2(C)CC[C@H](OC)[C@]34[C@@H]5C[C@H]6CC[C@](OC(C)=O)([C@H]5C(=O)O6)[C@@H](C[C@H]23)[C@@H]14 ZINC000263614398 HF Annotated Anodyne in-vitro CC[C@](C)(O)/C=C(C)/C=C/C1=CC2=C[C@@H]3[C@@H](C(C)=O)C(=O)O[C@@]3(C)[C@H](O)C2=CO1 ZINC000263614931 HF Annotated Anodyne in-vitro CC[C@](C)(O)/C=C(C)/C=C/C1=CC2=C[C@H]3[C@@H](C(C)=O)C(=O)O[C@@]3(C)[C@H](O)C2=CO1 ZINC000263614932 HF Annotated Anodyne in-vitro O=C1c2ccccc2C(=O)[C@H]([C@H]2C(=O)c3ccccc3C(=O)[C@@H]2O)[C@@H]1Br ZINC000263620842 HF Annotated Reactive O=C(Nc1cc(-c2csc(=O)[nH]2)cc(S(=O)(=O)NC2CCCC2)c1)C1CC1 ZINC000263620844 HF Annotated Anodyne O=C(O)C[C@@H](Sc1ccc(C(=O)c2ccccc2C(=O)O)cc1[N+](=O)[O-])C(=O)O ZINC000026507355 HF Annotated Bother O=C(O)C[C@H](Sc1ccc(C(=O)c2ccccc2C(=O)O)cc1[N+](=O)[O-])C(=O)O ZINC000026507359 HF Annotated Bother CC(=O)Oc1ccc(-c2cc3c(OC(C)=O)cc(OC(C)=O)cc3n(C)c2=O)cc1 ZINC000026574636 HF Annotated Anodyne CC1=C(C(=O)O[C@@H](C)CO[N+](=O)[O-])[C@H](c2cccc3nonc23)C([N+](=O)[O-])=C(C)C1 ZINC000026578109 HF Annotated Anodyne CC1=C(C(=O)O[C@H](C)CO[N+](=O)[O-])[C@H](c2cccc3nonc23)C([N+](=O)[O-])=C(C)C1 ZINC000026578110 HF Annotated Anodyne CC1=C(C(=O)O[C@@H](C)CO[N+](=O)[O-])[C@@H](c2cccc3nonc23)C([N+](=O)[O-])=C(C)C1 ZINC000026578304 HF Annotated Anodyne CC1=C(C(=O)O[C@H](C)CO[N+](=O)[O-])[C@@H](c2cccc3nonc23)C([N+](=O)[O-])=C(C)C1 ZINC000026578305 HF Annotated Anodyne C#CCNC(=O)Cn1c2cc(OC)ccc2c2cc[n+]3nc(CC)c(CC)cc3c21 ZINC000026579205 HF Annotated Mild O=C1C=CC2(Oc3cccc4cccc(c34)O2)C2=C1[C@@H](O)[C@H]1[C@H]([C@@H]3C=C[C@H]1C3)[C@H]2O ZINC000026579624 HF Annotated Mild O=C1C=CC2(Oc3cccc4cccc(c34)O2)C2=C1[C@@H](O)[C@@H]1[C@H]([C@@H]3C=C[C@H]1C3)[C@H]2O ZINC000026579625 HF Annotated Mild CC(=O)O[C@@H](CC#CCSc1ccc([N+](=O)[O-])cc1)Cn1ccnc1[N+](=O)[O-] ZINC000026579710 HF Annotated Mild CC(=O)O[C@H](CC#CCSc1ccc([N+](=O)[O-])cc1)Cn1ccnc1[N+](=O)[O-] ZINC000026579711 HF Annotated Mild CC1=C(C(=O)OC[C@H](C)O[N+](=O)[O-])[C@@H](c2cccc3nonc23)C([N+](=O)[O-])=C(C)C1 ZINC000026579878 HF Annotated Anodyne CC1=C(C(=O)OC[C@@H](C)O[N+](=O)[O-])[C@@H](c2cccc3nonc23)C([N+](=O)[O-])=C(C)C1 ZINC000026579879 HF Annotated Anodyne CC1=C(C(=O)OC[C@H](C)O[N+](=O)[O-])[C@H](c2cccc3nonc23)C([N+](=O)[O-])=C(C)C1 ZINC000026579880 HF Annotated Anodyne CC1=C(C(=O)OC[C@@H](C)O[N+](=O)[O-])[C@H](c2cccc3nonc23)C([N+](=O)[O-])=C(C)C1 ZINC000026579881 HF Annotated Anodyne C[C@@H](NC(=O)CN)C(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000026580333 HF Annotated Anodyne C[C@H](NC(=O)CN)C(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000026580334 HF Annotated Anodyne CCCN(Cc1ccc(C(=O)NC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000026638993 HF Annotated Anodyne C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc(C(=O)O)c(C=O)c1O2 ZINC000026642380 HF Annotated Anodyne C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc(C(=O)O)c(C=O)c1O2 ZINC000026642387 HF Annotated Anodyne C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@]12Cc1c(O)cc(C(=O)O)c(C=O)c1O2 ZINC000026642394 HF Annotated Anodyne C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@]12Cc1c(O)cc(C(=O)O)c(C=O)c1O2 ZINC000026642401 HF Annotated Anodyne Nc1c(Cl)cc([C@@H](O)CN2CCN(c3cnnc(O)c3Cl)CC2)cc1Cl ZINC000026655881 HF Annotated Anodyne Nc1c(Cl)cc([C@H](O)CN2CCN(c3cnnc(O)c3Cl)CC2)cc1Cl ZINC000026655886 HF Annotated Anodyne Cc1c(O)c2[nH]c(CCCCN3N=C(c4ccccc4)CCC3=O)nc2n(C)c1=O ZINC000026673055 HF Annotated Anodyne O=C(O)C[C@@H](NC(=O)c1cc2cc(OCC3CCNCC3)ccc2[nH]1)c1cccnc1 ZINC000026674100 HF Annotated Anodyne O=C(O)C[C@H](NC(=O)c1cc2cc(OCC3CCNCC3)ccc2[nH]1)c1cccnc1 ZINC000026674101 HF Annotated Anodyne CCCc1c(O)c2[nH]c(CCCN3N=C(c4ccccc4)CCC3=O)nc2n(C)c1=O ZINC000026674527 HF Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4ccc(N)cc4)cs3)[C@H](C)[C@H]12 ZINC000026675078 HF Annotated Anodyne NC(=O)c1nnn(Cc2cc(F)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N ZINC000026719552 HF Annotated Anodyne COc1ccccc1CCN/C(N)=N/c1nc(-c2cc(CNC(C)=O)co2)cs1 ZINC000026734027 HF Annotated Mild CNC(=N)c1cc(C2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3C2)cc2c1oc1ccccc12 ZINC000026745463 HF Annotated Anodyne CCOC(=O)CCN1CCN(c2ccc3c(=O)cc(-c4ccccc4)[nH]c3n2)CC1 ZINC000026819470 HF Annotated Anodyne CCOP(=O)(OCC)[C@H](c1ccc(O)c(OC)c1[N+](=O)[O-])N1CCN(C)CC1 ZINC000026820464 HF Annotated Bother CCOP(=O)(OCC)[C@@H](c1ccc(O)c(OC)c1[N+](=O)[O-])N1CCN(C)CC1 ZINC000026820469 HF Annotated Bother C[C@@H](Cc1ccncc1)NC(=N)N/N=C/c1ccc(-c2cn3ccccc3[n+]2C)cc1 ZINC000026825617 HF Annotated Mild C[C@H](Cc1ccncc1)NC(=N)N/N=C/c1ccc(-c2cn3ccccc3[n+]2C)cc1 ZINC000026825622 HF Annotated Mild CCOP(=O)(OCC)[C@H](c1ccc(O)c(OC)c1[N+](=O)[O-])N1CCOCC1 ZINC000026826796 HF Annotated Bother CCOP(=O)(OCC)[C@@H](c1ccc(O)c(OC)c1[N+](=O)[O-])N1CCOCC1 ZINC000026826801 HF Annotated Bother CCOP(=O)(OCC)[C@H](c1cc(OC)c(O)c(OC)c1)N1CCN(C)CC1 ZINC000026829290 HF Annotated Anodyne CCOP(=O)(OCC)[C@@H](c1cc(OC)c(O)c(OC)c1)N1CCN(C)CC1 ZINC000026829295 HF Annotated Anodyne CS(=O)(=O)Nc1ccc(/N=c2/c3ccccc3[nH]c3cc([N+](=O)[O-])ccc23)cn1 ZINC000026842277 HF Annotated Bother C[n+]1c2ccccc2c(Nc2ccc(NS(=O)(=O)CCN)cc2)c2ccc(N)cc21 ZINC000026847959 HF Annotated Clean CC1=C(C(=O)O)[C@@H](c2ccc(F)c(Br)c2)C2=C(CCS2(=O)=O)N1 ZINC000026937681 HF Annotated Anodyne CC1=C(C(=O)O)[C@H](c2ccc(F)c(Br)c2)C2=C(CCS2(=O)=O)N1 ZINC000026937686 HF Annotated Anodyne C[C@@]12CN(c3c(F)cc4c(=O)c(C(=O)O)cn([C@@H]5C[C@@H]5F)c4c3F)C[C@@H]1CCCN2 ZINC000026941428 HF Annotated Anodyne C[C@@]12CN(c3c(F)cc4c(=O)c(C(=O)O)cn([C@H]5C[C@@H]5F)c4c3F)C[C@@H]1CCCN2 ZINC000026941435 HF Annotated Anodyne O=C(O)c1cn([C@@H]2C[C@@H]2F)c2c(Cl)c(N3C[C@H]4CCCN[C@H]4C3)ccc2c1=O ZINC000026962303 HF Annotated Anodyne O=C(O)c1cn([C@H]2C[C@@H]2F)c2c(Cl)c(N3C[C@H]4CCCN[C@H]4C3)ccc2c1=O ZINC000026962314 HF Annotated Anodyne Cc1c(C)c2c(c(C)c1OC(=O)CCCN)C[C@H](CCn1ccc(=O)c(O)c1C)O2 ZINC000026974835 HF Annotated Anodyne Cc1c(C)c2c(c(C)c1OC(=O)CCCN)C[C@@H](CCn1ccc(=O)c(O)c1C)O2 ZINC000026974841 HF Annotated Anodyne COC[C@H]1CCCN1C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1 ZINC000026974848 HF Annotated Anodyne O=C1c2nccc(-c3ccccc3NC(=O)C(F)(F)F)c2C(=O)c2ccc(=O)[nH]c21 ZINC000026976286 HF Annotated Clean COc1cc2c(cc1OC)[C@@H](O)[C@H]1c3c(c(OC)c(OC)c(OC)c3-2)CCN1C ZINC000026976391 HF Annotated Anodyne COc1cc2c(cc1OC)[C@H](O)[C@H]1c3c(c(OC)c(OC)c(OC)c3-2)CCN1C ZINC000026976398 HF Annotated Anodyne COc1cc2c(cc1OC)[C@@H](O)[C@@H]1c3c(c(OC)c(OC)c(OC)c3-2)CCN1C ZINC000026976406 HF Annotated Anodyne COc1cc2c(cc1OC)[C@H](O)[C@@H]1c3c(c(OC)c(OC)c(OC)c3-2)CCN1C ZINC000026976414 HF Annotated Anodyne COc1ccc2[nH]c3c(C(=O)NCCN(C)C)ccc4c3c(nn4CCN(C)C)c2c1 ZINC000026985618 HF Annotated Bother Nc1cc(C(=O)N2CCSCC2)cn2nc(-c3ccc(Br)o3)nc12 ZINC000026987183 HF Annotated Anodyne CN(C)CCCn1[nH]c2c3ccccc3nc3c(C(=O)NCCN(C)C)ccc1c32 ZINC000026994249 HF Annotated Bother Cc1c(C)c2c(c(C)c1OC(=O)CN(C)C)C[C@H](CCn1ccc(=O)c(O)c1C)O2 ZINC000026994325 HF Annotated Anodyne Cc1c(C)c2c(c(C)c1OC(=O)CN(C)C)C[C@@H](CCn1ccc(=O)c(O)c1C)O2 ZINC000026994330 HF Annotated Anodyne CN(C)CCCn1[nH]c2c3cc(O)ccc3nc3c(C(=O)NCCN(C)C)ccc1c32 ZINC000026995927 HF Annotated Bother Nc1cc(C(=O)N2CCSCC2)cc2nc(-c3ccc(Br)o3)nn12 ZINC000026997298 HF Annotated Anodyne O=C1c2c(cc(O)c(O)c2[N+](=O)[O-])C[C@H]1CN1CCN(c2ccccc2Cl)CC1 ZINC000027074721 HF Annotated Clean O=C1c2c(cc(O)c(O)c2[N+](=O)[O-])C[C@@H]1CN1CCN(c2ccccc2Cl)CC1 ZINC000027074728 HF Annotated Clean C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)c2ccc(O)cc2)CC(=O)O1 ZINC000027078685 HF Annotated Anodyne O=C(Cc1cccnc1)N1CC[C@H]2N=Cc3c(nn(-c4ccc(Cl)cc4)c3O)[C@H]2C1 ZINC000027082895 HF Annotated Anodyne O=C(Cc1cccnc1)N1CC[C@@H]2N=Cc3c(nn(-c4ccc(Cl)cc4)c3O)[C@H]2C1 ZINC000027082901 HF Annotated Anodyne O=C(Cc1cccnc1)N1CC[C@H]2N=Cc3c(nn(-c4ccc(Cl)cc4)c3O)[C@@H]2C1 ZINC000027082909 HF Annotated Anodyne O=C(Cc1cccnc1)N1CC[C@@H]2N=Cc3c(nn(-c4ccc(Cl)cc4)c3O)[C@@H]2C1 ZINC000027082915 HF Annotated Anodyne O=c1[nH]cnc2c1ncn2COC(COCc1ccccc1)COCc1ccccc1 ZINC000027189069 HF Annotated Anodyne CCOC(=O)Nc1cc(N[C@@H](C)C(=O)COc2ccccc2)c([N+](=O)[O-])c(N)n1 ZINC000027190078 HF Annotated Bother CCOC(=O)Nc1cc(N[C@H](C)C(=O)COc2ccccc2)c([N+](=O)[O-])c(N)n1 ZINC000027190084 HF Annotated Bother CCOC(=O)Nc1cc(N[C@@H](C)/C(=N/O)c2ccc(O)cc2)c([N+](=O)[O-])c(N)n1 ZINC000027192754 HF Annotated Mild CCOC(=O)Nc1cc(N[C@@H](C)C(=O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c(N)n1 ZINC000027194624 HF Annotated Bother CCOC(=O)Nc1cc(N[C@H](C)C(=O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c(N)n1 ZINC000027194631 HF Annotated Bother CCOC(=O)Nc1cc(N[C@H](C)/C(=N/O)c2ccc(O)cc2)c([N+](=O)[O-])c(N)n1 ZINC000027197730 HF Annotated Mild CCOC(=O)Nc1cc(N[C@@H](C)/C(=N/O)c2ccc(OC)cc2)c([N+](=O)[O-])c(N)n1 ZINC000027197735 HF Annotated Mild CCOC(=O)Nc1cc(N[C@H](C)/C(=N/O)c2ccc(OC)cc2)c([N+](=O)[O-])c(N)n1 ZINC000027197742 HF Annotated Mild C=CCN(Cc1ccoc1)C(=O)c1cc(Cl)cc(OCCCONC(=N)N)c1 ZINC000027197778 HF Annotated Mild CCN(Cc1ccccc1)C(=O)c1cc(Cl)cc(OCCCON=C(N)N)c1 ZINC000027201136 HF Annotated Mild Cc1cc(OCCCON=C(N)N)cc(C(=O)N(Cc2ccoc2)CC2CC2)c1 ZINC000027202699 HF Annotated Mild Cc1cc(OCCCON=C(N)N)cc(C(=O)N(Cc2ccoc2)C2CCC2)c1 ZINC000027204821 HF Annotated Mild Cc1ccc(S(=O)(=O)CCO[P@@](N)(=O)N(CCCl)CCCl)cc1 ZINC000027214690 HF Annotated Reactive Cc1ccc(S(=O)(=O)CCO[P@](N)(=O)N(CCCl)CCCl)cc1 ZINC000027214694 HF Annotated Reactive N#CN/C(=N\CCCCn1nc(-c2ccccc2)ccc1=O)NCCc1ccccc1 ZINC000027214891 HF Annotated Mild Cc1ccc(S(=O)(=O)CCOP(=O)(NCCCl)NCCCl)cc1 ZINC000027300148 HF Annotated Reactive C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)c2ccc(N)cc2)CC(=O)O1 ZINC000027305719 HF Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)c2ccc(N)cc2)CC(=O)O1 ZINC000027305723 HF Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@@](=O)c2cccc(N)c2)CC(=O)O1 ZINC000027308823 HF Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([S@](=O)c2cccc(N)c2)CC(=O)O1 ZINC000027308828 HF Annotated Anodyne COc1cc(CCC/C=N/N=C(N)N)cc(OS(=O)(=O)c2ccccc2Cl)c1 ZINC000027312330 HF Annotated Mild Cc1cc(OCC/C=N/N=C(N)N)cc(OS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000027312884 HF Annotated Mild CC(C)OC(=S)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 ZINC000027314140 HF Annotated Anodyne O=C(CC(F)(F)F)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 ZINC000027315150 HF Annotated Anodyne C#CCNC(=N)c1ccc(C(=O)Nc2ccc3c(c2)C[C@H](CC(=O)OCC)CO3)cc1 ZINC000027317710 HF Annotated Mild C#CCNC(=N)c1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](CC(=O)OCC)CO3)cc1 ZINC000027317716 HF Annotated Mild CN(C)CCNC(=O)c1cccc2ccc(-c3ccc(NS(C)(=O)=O)cc3)nc12 ZINC000027323837 HF Annotated Anodyne COC1(OC)N=C(NC(=O)Nc2ccccc2)[C@@]2(C#N)[C@@H](c3ccccc3)[C@@]12C#N ZINC000027329616 HF Annotated Mild COC1(OC)N=C(NC(=O)Nc2ccccc2)[C@@]2(C#N)[C@H](c3ccccc3)[C@@]12C#N ZINC000027329621 HF Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(N3CC=C(c4oncc4C)CC3)c(F)c2)C(=O)O1 ZINC000027408790 HF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-c3nnc(CC/C(C)=N/O)s3)c(F)c2)C(=O)O1 ZINC000027410183 HF Annotated Mild CC(=O)N1CC=C(c2ccc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1 ZINC000027415252 HF Annotated Anodyne O=CN1CC=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1 ZINC000027415385 HF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCN(C(=O)Cc2ccccc2)C3)C(=O)O1 ZINC000027423038 HF Annotated Anodyne CC1(N)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4)c3c2F)C1 ZINC000027423179 HF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCN(C(=O)Oc2ccccc2)CC3)C(=O)O1 ZINC000027423498 HF Annotated Anodyne COC(=O)c1cc(OC[C@H]2CN(c3ccc(C4=CCOCC4)c(F)c3)C(=O)O2)no1 ZINC000027423593 HF Annotated Anodyne O=c1[nH]ccn1-c1ccc(OCCCCOc2ccc(-n3cc[nH]c3=O)cc2)cc1 ZINC000027437963 HF Annotated Anodyne COc1ccc2o/c(=N/NC(=O)c3cccc(Br)c3)c(C(N)=O)cc2c1 ZINC000027500083 HF Annotated Reactive C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(cc12)C(=O)C1=NCCS(=O)(=O)C1=C3O ZINC000027518721 HF Annotated Clean COC(=O)c1c(OC)cc([C@@H]2OC(c3ccc(N)c(C)c3)=NN2C(C)=O)cc1OC ZINC000027519036 HF Annotated Anodyne COC(=O)c1c(OC)cc([C@H]2OC(c3ccc(N)c(C)c3)=NN2C(C)=O)cc1OC ZINC000027519037 HF Annotated Anodyne CCCCc1cnc(/C=C(\C)C[C@@H]2OC[C@H](C[C@@H]3O[C@H]3[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]2O)o1 ZINC000027523879 HF Annotated Anodyne CCNC[C@@H]1CCN(c2c(F)c(NC)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 ZINC000027524809 HF Annotated Anodyne CCNC[C@H]1CCN(c2c(F)c(NC)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 ZINC000027524810 HF Annotated Anodyne CCNC[C@@H]1CCN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 ZINC000027524811 HF Annotated Anodyne CCNC[C@H]1CCN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 ZINC000027524812 HF Annotated Anodyne N[C@@H]1CCN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(F)(F)F)C1 ZINC000027525811 HF Annotated Anodyne N[C@H]1CCN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(F)(F)F)C1 ZINC000027525813 HF Annotated Anodyne COc1ccc(-c2nc(Cn3cncn3)nc3cc(OC)c(OC)cc23)cc1OC ZINC000027560364 HF Annotated Anodyne COc1ccccc1OC[C@@H]1SCCN1C(=O)CSC(=O)c1cccnc1 ZINC000027561228 HF Annotated Anodyne COc1ccccc1OC[C@H]1SCCN1C(=O)CSC(=O)c1cccnc1 ZINC000027561230 HF Annotated Anodyne COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)[C@H](N)CS ZINC000027563694 HF Annotated Mild N[C@H]1CCN(c2nc3c(c(-c4ccccc4)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1 ZINC000027617119 HF Annotated Anodyne CCN(CC)CCNc1ccc2c3c(nn2CCN(C)C)-c2cnccc2C(=O)c13 ZINC000027624291 HF Annotated Clean C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000027628887 HF Annotated Anodyne in-vitro Oc1nc(CBr)nc2cc3c(O)nc(CBr)nc3cc12 ZINC000027633477 HF Annotated Reactive CN(C)CCn1nc2c3c(c(NCCn4ccnc4)ccc31)C(=O)c1ccncc1-2 ZINC000027635027 HF Annotated Clean CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(I)n2c1 ZINC000027646979 HF Annotated Anodyne CCOCCOC(=O)C(=O)Nc1nc(-c2cc(Br)no2)c(CC)s1 ZINC000027657174 HF Annotated Anodyne O=P(O)(O)C(O)(c1ccc(Oc2cccc3c2CCCC3)cc1)P(=O)(O)O ZINC000027657714 HF Annotated Anodyne Cc1c[nH]c2c1[C@]13C[C@H]1CN(C(=O)c1cc4cc(NC(N)=O)ccc4[nH]1)C3=CC2=O ZINC000027703692 HF Annotated Mild Cc1c[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(N)=O)ccc4[nH]1)C3=CC2=O ZINC000027703696 HF Annotated Mild COC(=O)c1cccc(-n2c(=O)n(C[C@@H]3C[C@H]4CC[C@@H]3C4)c(=O)c3cccnc32)c1 ZINC000027707330 HF Annotated Anodyne COC(=O)c1cccc(-n2c(=O)n(C[C@H]3C[C@H]4CC[C@@H]3C4)c(=O)c3cccnc32)c1 ZINC000027707333 HF Annotated Anodyne COc1ccc([C@H]2C[C@@H]2C(=O)NCCCC/N=C(\N)NCC=C(C)C)cc1OC ZINC000027721282 HF Annotated Mild CC(=O)Oc1cc(C(=O)Cc2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1OC(C)=O ZINC000027755190 HF Annotated Bother COc1cccc2c1ccc1nc3cccc(C(=O)N[C@@H](CN(C)C)C(=O)O)c3nc12 ZINC000027769906 HF Annotated Clean COc1cccc2c1ccc1nc3cccc(C(=O)N[C@H](CN(C)C)C(=O)O)c3nc12 ZINC000027769913 HF Annotated Clean CN(C)CCNC(=O)c1cccc2nc3ccc4c(OCC(=O)O)cccc4c3nc12 ZINC000027842745 HF Annotated Clean COc1cccc2c1ccc1nc3cccc(C(=O)N[C@H](CO)CN(C)C)c3nc12 ZINC000027848944 HF Annotated Clean COc1cccc2c1ccc1nc3cccc(C(=O)N[C@@H](CCO)CN(C)C)c3nc12 ZINC000027856828 HF Annotated Clean COc1cccc2c1ccc1nc3cccc(C(=O)N[C@H](CCO)CN(C)C)c3nc12 ZINC000027856835 HF Annotated Clean CN(C)CCNC(=O)c1cccc2nc3ccc4c(S(C)(=O)=O)cccc4c3nc12 ZINC000027857700 HF Annotated Clean CN(C)CCNC(=O)c1cccc2nc3ccc4c(OCCO)cccc4c3nc12 ZINC000027858353 HF Annotated Clean COc1cccc2c1ccc1nc3cccc(C(=O)N[C@@H](CO)CN(C)C)c3nc12 ZINC000027862140 HF Annotated Clean COc1cccc2c1ccc1nc3cccc(C(=O)N[C@@H](CN(C)C)[C@H](C)O)c3nc12 ZINC000027862160 HF Annotated Clean CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2cccc2C=O)CC1 ZINC000027900352 HF Annotated Anodyne CCCNCCNc1ccc(NCCNCCC)c2c1C(=O)c1ccncc1C2=O ZINC000027901323 HF Annotated Clean CC(C)NCCNc1ccc(NCCNC(C)C)c2c1C(=O)c1ccncc1C2=O ZINC000027902642 HF Annotated Clean CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2ccn(CC)c2=O)CC1 ZINC000027977509 HF Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2nc(C)cc2C)CC1 ZINC000027982489 HF Annotated Anodyne Cc1nc(NS(=O)(=O)c2ccc(-n3sc4ccccc4c3=O)cc2)oc1C ZINC000027983400 HF Annotated Anodyne CCOC(=O)C1=C[C@H]2C(=O)c3ncccc3C(=O)[C@H]2C(c2ccc(N(C)C)cc2)=N1 ZINC000027987230 HF Annotated Anodyne CCOC(=O)C1=C[C@H]2C(=O)c3cccnc3C(=O)[C@H]2C(c2ccc(N(C)C)cc2)=N1 ZINC000027988235 HF Annotated Anodyne COC(=O)[C@@]12CCO[C@@H]1c1cc3c(cc1[C@H]2c1cc(OC)c(O)c(OC)c1)OCO3 ZINC000028020740 HF Annotated Anodyne NS(=O)(=O)c1cc2c(cc1Cl)CNN(c1ccc(C(F)(F)F)cc1)C2=O ZINC000028021470 HF Annotated Anodyne CCOC(=O)CCc1ccn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)c1 ZINC000028021584 HF Annotated Anodyne NS(=O)(=O)c1cc2c(cc1Cl)C(=O)N(c1ccc(C(F)(F)F)cc1)NC2 ZINC000028087562 HF Annotated Anodyne CCOC(=O)/C=C/c1ccn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)c1 ZINC000028089680 HF Annotated Anodyne COC(=O)c1c(C)[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)/C=C/c1ccc(N)cc1)C3=CC2=O ZINC000028093505 HF Annotated Mild CCOC(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1 ZINC000028099333 HF Annotated Anodyne COC(=O)c1c(C)[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)/C=C/c1ccc(O)cc1)C3=CC2=O ZINC000028101548 HF Annotated Mild CC(=O)NN1C(=O)c2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c2C1=O)OCO4 ZINC000028112548 HF Annotated Anodyne CCOC(=O)C(=O)c1cc2ccccc2n1S(=O)(=O)c1cc(Cl)ccc1N ZINC000028114043 HF Annotated Anodyne O=C1c2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c2C(=O)N1CCCO)OCO4 ZINC000028114801 HF Annotated Anodyne CC(=O)NN1Cc2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c2C1=O)OCO4 ZINC000028118433 HF Annotated Anodyne CC(=O)NN1Cc2c(cc3ccc4c(c3c2-c2ccc3c(c2)OCO3)OCO4)C1=O ZINC000028118568 HF Annotated Anodyne Cc1c(SC2CCCCC2)n(COCNC(=O)c2ccccc2)c(=O)[nH]c1=O ZINC000028120564 HF Annotated Anodyne Cc1c(SC2CCCCC2)n(COCI)c(=O)[nH]c1=O ZINC000028123235 HF Annotated Reactive CCOC(=O)C(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000028124899 HF Annotated Bother COc1cc2c(cc1OC)[C@]1(c3cc(OC)c(OC)c(OC)c3)OC[C@H](C2)[C@@H]1CO ZINC000028220257 HF Annotated Anodyne O=C1NC(=O)[C@H](c2cc(Cl)ccc2S(=O)(=O)CCc2ccc(Cl)cc2)N1 ZINC000028224540 HF Annotated Anodyne O=C1NC(=O)[C@@H](c2cc(Cl)ccc2S(=O)(=O)CCc2ccc(Cl)cc2)N1 ZINC000028224544 HF Annotated Anodyne O=C(Nc1ccccc1)N[C@H]1c2ccccc2-c2[nH]c(=O)c3nc(C(=O)O)cn3c21 ZINC000028225426 HF Annotated Anodyne O=C(Nc1ccccc1)N[C@@H]1c2ccccc2-c2[nH]c(=O)c3nc(C(=O)O)cn3c21 ZINC000028225429 HF Annotated Anodyne O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1c[nH]cn1 ZINC000028226606 HF Annotated Reactive O=C(O)COCCCC[C@@H]1[C@@H](CNS(=O)(=O)c2ccc(F)cc2)CC[C@H]1F ZINC000028229730 HF Annotated Anodyne O=C(O)COCCCC[C@@H]1[C@@H](NS(=O)(=O)c2ccc(F)cc2F)CC[C@H]1F ZINC000028230347 HF Annotated Anodyne CCOC(=O)CN(C(C)=O)c1nc2ccnc(-c3cccc(C(F)(F)F)c3)n2n1 ZINC000028242065 HF Annotated Anodyne NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1cccnc1 ZINC000028346173 HF Annotated Reactive COC(=O)c1ccc(S(=O)(=O)N(N)C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000028346531 HF Annotated Reactive CN([C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1ccccc1 ZINC000028349563 HF Annotated Mild CN([C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1ccccc1 ZINC000028349571 HF Annotated Mild NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(F)c1)CCCC3 ZINC000028349929 HF Annotated Reactive Cc1ccc(CC2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)CC2)cc1 ZINC000028352125 HF Annotated Anodyne CN1CCc2ccc(S(=O)(=O)N(N)C(=O)c3ccc(Cl)cc3Cl)cc21 ZINC000028357332 HF Annotated Reactive ClC1=C[C@@H]2NC=C/C(=N\CCCN3CCN(CCCNCC4CC4)CC3)[C@@H]2C=C1 ZINC000028359440 HF Annotated Mild ClC1=C[C@H]2NC=C/C(=N\CCCN3CCN(CCCNCC4CC4)CC3)[C@@H]2C=C1 ZINC000028359447 HF Annotated Mild ClC1=C[C@@H]2NC=C/C(=N\CCCN3CCN(CCCNCC4CC4)CC3)[C@H]2C=C1 ZINC000028359454 HF Annotated Mild ClC1=C[C@H]2NC=C/C(=N\CCCN3CCN(CCCNCC4CC4)CC3)[C@H]2C=C1 ZINC000028359462 HF Annotated Mild COc1ccc2c(C(=O)N[C@@H](CC(=O)O)C(=O)O)c(F)ccc2c1C(F)(F)F ZINC000028375194 HF Annotated Anodyne COc1ccc2c(C(=O)N[C@H](CC(=O)O)C(=O)O)c(F)ccc2c1C(F)(F)F ZINC000028375202 HF Annotated Anodyne CC(=O)Nc1ccc(Oc2ccc(N3C[C@H](CNC(N)=S)OC3=O)cc2F)cc1 ZINC000028379535 HF Annotated Anodyne O=C(Nc1nc(C2(C(=O)NO)CC2)cs1)c1cccc(COc2ccccc2)n1 ZINC000028457766 HF Annotated Bother Cn1c(-c2cc(F)c(N=C(N)N)cc2F)ccc1-c1cc(F)c(N=C(N)N)cc1F ZINC000028460602 HF Annotated Mild CCOC(=O)N1CCc2cc(S(=O)(=O)N3C[C@H](c4ccccc4)NC3=O)ccc21 ZINC000028460947 HF Annotated Anodyne CC(=O)NCn1cc(-c2ccc(-c3sccc3CN3CCOCC3)cc2)c(=O)o1 ZINC000028462849 HF Annotated Anodyne O=C(O)C[C@@H](c1ccccc1)n1ccc2cc(OCCONC3=NCCN3)ccc21 ZINC000028467236 HF Annotated Anodyne O=C(O)C[C@H](c1ccccc1)n1ccc2cc(OCCONC3=NCCN3)ccc21 ZINC000028467241 HF Annotated Anodyne CS(=O)(=O)n1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2ccccc21 ZINC000028470441 HF Annotated Anodyne O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1[nH]nc2c(O)c3ccccc3c(O)c12 ZINC000028471336 HF Annotated Reactive CCOC(=O)N1CC[C@H]2c3c(nc(-c4ccc5c(c4)OCCO5)[nH]c3=O)S[C@@H]2C1 ZINC000028523284 HF Annotated Anodyne CCOC(=O)N1CC[C@@H]2c3c(nc(-c4ccc5c(c4)OCCO5)[nH]c3=O)S[C@@H]2C1 ZINC000028523285 HF Annotated Anodyne CCOC(=O)N1CC[C@H]2c3c(nc(-c4ccc5c(c4)OCCO5)[nH]c3=O)S[C@H]2C1 ZINC000028523286 HF Annotated Anodyne CCOC(=O)N1CC[C@@H]2c3c(nc(-c4ccc5c(c4)OCCO5)[nH]c3=O)S[C@H]2C1 ZINC000028523287 HF Annotated Anodyne NS(=O)(=O)c1ccc(Nc2ccnc(/N=C/c3coc4ccccc4c3=O)n2)cc1 ZINC000028523932 HF Annotated Mild Cc1nc2n(c(=O)c1CCN1CCC([C@@H]3NOc4cc(F)ccc43)CC1)CCCC2 ZINC000028524004 HF Annotated Anodyne Cc1nc2n(c(=O)c1CCN1CCC([C@H]3NOc4cc(F)ccc43)CC1)CCCC2 ZINC000028524005 HF Annotated Anodyne CCOC(=O)N1CC[C@H]2c3c(nc(-c4cccc5c4COCO5)[nH]c3=O)S[C@@H]2C1 ZINC000028524489 HF Annotated Anodyne CCOC(=O)N1CC[C@@H]2c3c(nc(-c4cccc5c4COCO5)[nH]c3=O)S[C@@H]2C1 ZINC000028524490 HF Annotated Anodyne CCOC(=O)N1CC[C@H]2c3c(nc(-c4cccc5c4COCO5)[nH]c3=O)S[C@H]2C1 ZINC000028524491 HF Annotated Anodyne CCOC(=O)N1CC[C@@H]2c3c(nc(-c4cccc5c4COCO5)[nH]c3=O)S[C@H]2C1 ZINC000028524492 HF Annotated Anodyne Cc1ccc(C(=O)NNC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1C ZINC000028525220 HF Annotated Reactive COC(=O)[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)C ZINC000028527199 HF Annotated Anodyne COC(=O)[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)c(Cl)c1)C(C)C ZINC000028528787 HF Annotated Anodyne CCOC(=O)/N=C(\NC1=NC(=O)C(=O)N1C(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000028528972 HF Annotated Mild CCN(CC)C(=O)N1CC[C@@]2(C1)Nc1cc(OC)c(-c3cnco3)cc1C(=O)N2C ZINC000028529355 HF Annotated Anodyne CCN(CC)C(=O)N1CC[C@]2(C1)Nc1cc(OC)c(-c3cnco3)cc1C(=O)N2C ZINC000028529357 HF Annotated Anodyne CN(c1cccc(C(=O)O)c1)c1cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000028568077 HF Annotated Clean CC(C)[C@@H](C)Oc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028569553 HF Annotated Mild CC(C)[C@H](C)Oc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028569554 HF Annotated Mild CCOCCSc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028569979 HF Annotated Mild CC(C)CCn1c(Cn2c(=O)n(Cc3nnn[nH]3)c3ccccc32)nc2ccccc21 ZINC000028570049 HF Annotated Anodyne CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2OC2CCCC2)nc1 ZINC000028570050 HF Annotated Mild CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2OCC2CCC2)nc1 ZINC000028570051 HF Annotated Mild CC(C)n1c(=O)n(Cc2nc3ccccc3n2CCc2nnn[nH]2)c2ccccc21 ZINC000028570560 HF Annotated Anodyne C=C(C)n1c(=O)n(Cc2nc3ccccc3n2CCCc2nnn[nH]2)c2ccccc21 ZINC000028570656 HF Annotated Mild CN1CCC[C@@H]1NCNc1ncccc1-c1nnc(Nc2ccc3c(c2)OCCO3)o1 ZINC000028570678 HF Annotated Anodyne CN1CCC[C@H]1NCNc1ncccc1-c1nnc(Nc2ccc3c(c2)OCCO3)o1 ZINC000028570679 HF Annotated Anodyne Nc1c(C(=O)c2cccc(C#CCN3CCOCC3)c2)cnn1-c1ccc(F)cc1 ZINC000028570771 HF Annotated Mild CCNC(=O)NCCCN1CCn2cc(C(=O)O[C@@H](C)C(C)(C)C)c(C)c2C1=O ZINC000028570977 HF Annotated Anodyne CCNC(=O)NCCCN1CCn2cc(C(=O)O[C@H](C)C(C)(C)C)c(C)c2C1=O ZINC000028570978 HF Annotated Anodyne COc1cc(C(=O)c2n[nH]c3c(C#CCCCO)c(OC)ccc23)cc(OC)c1OC ZINC000028604081 HF Annotated Mild COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c3c(c2)OCO3)cc(O)c1O ZINC000028635463 HF Annotated Clean COc1cc(C[C@H]2CO[C@H](c3cc(OC)c4c(c3)OCO4)[C@H]2CO)cc2c1OCO2 ZINC000028636058 HF Annotated Anodyne CN1CCN(c2cc(OC(=O)C(C)(C)C)c3nc4ccc(=[N+](C)C)cc-4oc3c2)CC1 ZINC000028643540 HF Annotated Bother COc1c(C2=NCCN2)cccc1-c1cc(-c2cccc(C3=NCCN3)c2OC)on1 ZINC000028644541 HF Annotated Anodyne C/C(=N/OCc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1)n1cncn1 ZINC000028647256 HF Annotated Mild COc1cccc(CS(=O)(=O)c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c1 ZINC000028649020 HF Annotated Anodyne COc1ccc(CS(=O)(=O)c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1 ZINC000028649035 HF Annotated Anodyne COc1cc(-c2nnc(S(=O)(=O)Cc3cccc(F)c3)o2)cc(OC)c1OC ZINC000028649039 HF Annotated Anodyne COc1cc(-c2nnc(S(=O)(=O)Cc3ccc(F)cc3)o2)cc(OC)c1OC ZINC000028649043 HF Annotated Anodyne COc1cc(-c2nnc(S(=O)(=O)Cc3ccccc3F)o2)cc(OC)c1OC ZINC000028649047 HF Annotated Anodyne COc1ccccc1CS(=O)(=O)c1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000028649053 HF Annotated Anodyne C[C@@H]1S/C(=N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)N(C2CCCCC2)C1=O ZINC000028651630 HF Annotated Mild C[C@H]1S/C(=N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)N(C2CCCCC2)C1=O ZINC000028651634 HF Annotated Mild C[C@@H]1S/C(=N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)N(c2ccc(F)cc2)C1=O ZINC000028651671 HF Annotated Mild C[C@H]1S/C(=N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)N(c2ccc(F)cc2)C1=O ZINC000028651675 HF Annotated Mild CC(=O)OC/C=C(\C)Cn1c(C(=O)c2cccc3ccccc23)c(C)c(=O)[nH]c1=O ZINC000028652466 HF Annotated Anodyne CC(C)O[C@@H]1C=C([C@H](O)c2ccccc2[N+](=O)[O-])C(=O)[C@@H](COC(=O)C(C)(C)C)O1 ZINC000028656080 HF Annotated Mild CC(C)O[C@@H]1C=C([C@H](O)c2cccc([N+](=O)[O-])c2)C(=O)[C@@H](COC(=O)C(C)(C)C)O1 ZINC000028656087 HF Annotated Mild CC(C)O[C@@H]1C=C([C@H](O)c2ccc([N+](=O)[O-])cc2)C(=O)[C@@H](COC(=O)C(C)(C)C)O1 ZINC000028656094 HF Annotated Mild CC(C)O[C@@H]1C=C([C@H](O)c2ccc(C#N)cc2)C(=O)[C@@H](COC(=O)C(C)(C)C)O1 ZINC000028656127 HF Annotated Mild CCC[C@@H](O)C1=C[C@@H](OC(C)C)O[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000028656186 HF Annotated Mild CC(C)O[C@@H]1C=C([C@H](O)c2ccccc2[N+](=O)[O-])[C@H](O)[C@@H](COC(=O)C(C)(C)C)O1 ZINC000028656189 HF Annotated Bother CC(C)O[C@@H]1C=C([C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](O)[C@@H](COC(=O)C(C)(C)C)O1 ZINC000028656199 HF Annotated Bother CC(C)O[C@@H]1C=C([C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](COC(=O)C(C)(C)C)O1 ZINC000028656203 HF Annotated Bother CC(C)O[C@@H]1C=C([C@H](O)c2ccc(C#N)cc2)[C@H](O)[C@@H](COC(=O)C(C)(C)C)O1 ZINC000028656213 HF Annotated Mild COc1c(N2CC[C@@H]([C@H](C)NCCC#N)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000028703392 HF Annotated Mild NC(=O)c1cc(-c2ccccc2)cc(-c2ccc(S(=O)(=O)NNC3CC3)cc2)c1N ZINC000028703901 HF Annotated Anodyne Cn1nnc2c3c(ccc21)c(=O)c(C(=O)O)cn3Cc1ccc(Br)cc1 ZINC000028704659 HF Annotated Anodyne COc1cc2c(c3oc4ccccc4c(=O)c13)C[C@H](NC(=O)CN(C)C)C(C)(C)O2 ZINC000028705859 HF Annotated Bother COc1cc2c(c3oc4ccccc4c(=O)c13)C[C@@H](NC(=O)CN(C)C)C(C)(C)O2 ZINC000028705862 HF Annotated Bother Cn1c(=O)[nH]c(N2CCC(C(=O)c3ccccc3)CC2)c(Cc2ccccc2)c1=O ZINC000028708006 HF Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c(N3CCC(C)(CC#N)CC3)c(F)c2)C(=O)O1 ZINC000028708306 HF Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(/C=C/C(=O)c3ccc([N+](=O)[O-])cc3)cc2)C(=O)O1 ZINC000028709364 HF Annotated Mild COC(=O)c1ccc(/C=C/C(=O)c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2)cc1 ZINC000028709386 HF Annotated Mild Cc1ccc(O)c(Cn2c(NC3CCN(CCC(N)=O)CC3)nc3c(C)cccc32)n1 ZINC000028710360 HF Annotated Anodyne CCCCCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)nc1 ZINC000028710411 HF Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)cc(Br)c1OC ZINC000028712121 HF Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)cc(Br)c1OC ZINC000028712122 HF Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)c1cc(C)cc3c1c-2nn3CCN1CCN(C)CC1 ZINC000028712753 HF Annotated Anodyne O=[N+]([O-])c1ccc(-c2nnc3n2ccc2nnc(-c4ccc([N+](=O)[O-])cc4)n23)cc1 ZINC000028712777 HF Annotated Bother CC(=O)CCC(=O)Nc1ccc2c(Cl)c(OCCSC(=N)N)oc(=O)c2c1 ZINC000028756325 HF Annotated Anodyne N=C(N)c1ccc(N2CCC3(CCC(C(=O)NCCCC(=O)O)CC3)CC2)cc1 ZINC000028757079 HF Annotated Anodyne CCN(CC)CCn1nc2c3c(cccc31)C(=O)c1c(NCCNCCO)cccc1-2 ZINC000028757734 HF Annotated Clean CCN(CC)CCn1nc2c3c(c(NCCNC)ccc31)C(=O)c1c(O)ccc(O)c1-2 ZINC000028757778 HF Annotated Clean CCN1C(=O)c2c(nc(OC)n2Cc2ccc(O)c(Cl)c2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000028758524 HF Annotated Anodyne CCN(CC)CCNc1ccc2c3c(nn2CCNCCO)-c2ccccc2C(=O)c13 ZINC000028759700 HF Annotated Clean CCN(CC)CCn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1ccccc1-2 ZINC000028759744 HF Annotated Clean O=C1OC2(CCN(C[C@H](O)[C@@H]3COc4ccccc4O3)CC2)CN1Cc1ccccc1 ZINC000028760216 HF Annotated Anodyne O=C1OC2(CCN(C[C@@H](O)[C@@H]3COc4ccccc4O3)CC2)CN1Cc1ccccc1 ZINC000028760218 HF Annotated Anodyne O=C1OC2(CCN(C[C@H](O)[C@H]3COc4ccccc4O3)CC2)CN1Cc1ccccc1 ZINC000028760219 HF Annotated Anodyne O=C1OC2(CCN(C[C@@H](O)[C@H]3COc4ccccc4O3)CC2)CN1Cc1ccccc1 ZINC000028760221 HF Annotated Anodyne O=C1N[C@H](c2ccccc2)C2(CCN(C[C@H](O)[C@@H]3COc4ccccc4O3)CC2)O1 ZINC000028760672 HF Annotated Anodyne O=C1N[C@H](c2ccccc2)C2(CCN(C[C@@H](O)[C@@H]3COc4ccccc4O3)CC2)O1 ZINC000028760674 HF Annotated Anodyne O=C1N[C@@H](c2ccccc2)C2(CCN(C[C@H](O)[C@@H]3COc4ccccc4O3)CC2)O1 ZINC000028760675 HF Annotated Anodyne O=C1N[C@@H](c2ccccc2)C2(CCN(C[C@@H](O)[C@@H]3COc4ccccc4O3)CC2)O1 ZINC000028760677 HF Annotated Anodyne O=C1OC2(CCN(C[C@H](O)[C@@H]3COc4ccccc4O3)CC2)CN1c1ccccc1 ZINC000028763397 HF Annotated Anodyne O=C1OC2(CCN(C[C@@H](O)[C@@H]3COc4ccccc4O3)CC2)CN1c1ccccc1 ZINC000028763398 HF Annotated Anodyne O=C1OC2(CCN(C[C@H](O)[C@H]3COc4ccccc4O3)CC2)CN1c1ccccc1 ZINC000028763400 HF Annotated Anodyne O=C1OC2(CCN(C[C@@H](O)[C@H]3COc4ccccc4O3)CC2)CN1c1ccccc1 ZINC000028763402 HF Annotated Anodyne CC(=O)NCCCCNc1ccc(NCCN(C)C)c2c1C(=O)c1ccccc1C2=O ZINC000028769797 HF Annotated Clean CC(=O)Nc1nc(Cc2nnc(S)n2NC(=O)c2ccc(Cl)cc2)cs1 ZINC000028815422 HF Annotated Anodyne O=c1n(Cc2nc3ccccc3n2CCCCO)c2cnccc2n1CC(F)(F)F ZINC000028820878 HF Annotated Anodyne COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2[C@@H]3O[C@@H]3[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]21 ZINC000028824250 HF Annotated Anodyne COc1cc(=O)n(Cc2nc3cc(CN)ccc3n2CCCCO)c2ccccc12 ZINC000028824451 HF Annotated Anodyne O=c1c2ccccc2n(Cc2nc3ccccc3n2CCCCO)c(=O)n1C1CC1 ZINC000028824468 HF Annotated Anodyne CN1C(=O)N(Cc2nc3ccccc3n2CCCCO)c2ccccc2S1(=O)=O ZINC000028824550 HF Annotated Anodyne C[C@@H]1CN(C(=O)c2cc3ccccc3o2)CCN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000028826913 HF Annotated Anodyne C[C@@H]1CN(C(=O)c2ccc3occc3c2)CCN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000028826916 HF Annotated Anodyne C[C@H]1CN(C(=O)c2ccc3occc3c2)CCN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000028826917 HF Annotated Anodyne C[C@@H]1CN(C(=O)c2cccc(Cl)c2)CCN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000028826924 HF Annotated Anodyne COc1cccc2[nH]cc(S(=O)(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c12 ZINC000028826951 HF Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(CNCC)s1 ZINC000028827371 HF Annotated Anodyne CC(=O)N1C(=O)[C@@H]([C@@H]2SC(=S)N(CCCCCC(=O)O)C2=O)c2ccccc21 ZINC000028863716 HF Annotated Clean CC(=O)N1C(=O)[C@H]([C@H]2SC(=S)N(CCCCCC(=O)O)C2=O)c2ccccc21 ZINC000028863719 HF Annotated Clean COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(C)n2C)C1=O ZINC000028864309 HF Annotated Mild COC1=CC(=O)c2c(COc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(C)n(C)c2C1=O ZINC000028864314 HF Annotated Mild CCCN(C(=O)CC(=O)O)C1=C(C)C[C@@H](c2ccccc2)N(CCCCN)C1=O ZINC000028869608 HF Annotated Anodyne CCCN(C(=O)CC(=O)O)C1=C(C)C[C@H](c2ccccc2)N(CCCCN)C1=O ZINC000028869612 HF Annotated Anodyne CC(=O)Nc1nc2c(c(-c3cccc(N4C(=O)C=CC4=O)c3)c1C#N)C(=O)CCC2 ZINC000028872018 HF Annotated Mild CCCC[C@@H](CC)CN(CCO)C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000028875131 HF Annotated Anodyne CCCC[C@H](CC)CN(CCO)C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000028875137 HF Annotated Anodyne CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(C(=O)NCCCCO[N+](=O)[O-])O2 ZINC000028876813 HF Annotated Anodyne CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(C(=O)NCCCCO[N+](=O)[O-])O2 ZINC000028876819 HF Annotated Anodyne CN1CCN(c2nccn3cc(C(=O)N4CCC[C@@H](c5ccccc5)C4)nc23)CC1 ZINC000028882273 HF Annotated Anodyne CN1CCN(c2nccn3cc(C(=O)N4CCC[C@H](c5ccccc5)C4)nc23)CC1 ZINC000028882278 HF Annotated Anodyne C[C@@H]1CN(c2c(C#N)c(C(F)F)nn2-c2ccc(S(C)(=O)=O)cc2)[C@H](C)CO1 ZINC000028883743 HF Annotated Mild C[C@@H]1CCCN(c2c(C#N)c(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)C1 ZINC000028883758 HF Annotated Mild C[C@H]1CCCN(c2c(C#N)c(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)C1 ZINC000028883762 HF Annotated Mild CC(C)(C)COc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028883878 HF Annotated Mild Cc1ccc(S(=O)(=O)/N=C2\NC(=O)/C(=C/c3ccc([N+](=O)[O-])s3)S2)cc1 ZINC000028888538 HF Annotated Mild CCc1ccc(/C=C2\S/C(=N/S(=O)(=O)c3ccc([N+](=O)[O-])cc3)NC2=O)o1 ZINC000028888640 HF Annotated Mild CCc1ccc(/C=C2\S/C(=N/S(=O)(=O)c3ccccc3[N+](=O)[O-])NC2=O)o1 ZINC000028888664 HF Annotated Mild COc1ccc([N+](=O)[O-])cc1COc1ccc(Br)cc1/C=N/NC(=N)N ZINC000028888693 HF Annotated Mild CCc1ccc(/C=C2\S/C(=N/S(=O)(=O)c3ccccc3NC(C)=O)NC2=O)o1 ZINC000028888736 HF Annotated Mild O=C([C@H](O)c1ccc(Br)cc1)N1CCN(c2ccc3[nH]ncc3c2)CC1 ZINC000028891580 HF Annotated Anodyne O=C([C@@H](O)c1ccc(Br)cc1)N1CCN(c2ccc3[nH]ncc3c2)CC1 ZINC000028891584 HF Annotated Anodyne N[C@@H](C(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1)c1ccc(Br)cc1 ZINC000028891656 HF Annotated Anodyne N[C@H](C(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1)c1ccc(Br)cc1 ZINC000028891662 HF Annotated Anodyne NC(N)=Nc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1 ZINC000028897219 HF Annotated Mild COc1cc(S(C)(=O)=O)ccc1[C@@H]1CC(c2c(O)cc(C)oc2=O)=NCCS1 ZINC000028899066 HF Annotated Anodyne COc1cc(S(C)(=O)=O)ccc1[C@H]1CC(c2c(O)cc(C)oc2=O)=NCCS1 ZINC000028899070 HF Annotated Anodyne O=S(=O)(c1ccccc1F)N1CC2(CCC2)Oc2c(N3CCNCC3)cccc21 ZINC000028948485 HF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccno4)n[nH]c2-3)C(=O)O1 ZINC000028949215 HF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4cc(C)on4)n[nH]c2-3)C(=O)O1 ZINC000028949217 HF Annotated Anodyne COCCN(CCOC)c1nc2sc3c(OC)nnnc3c2c2c1CCCC2 ZINC000028949421 HF Annotated Anodyne COCCOc1nnnc2c1sc1nc(N(C)CCOC)c3c(c12)CCCC3 ZINC000028949423 HF Annotated Anodyne C[C@@H]([C@@H](O)c1ccc2c(c1)OCC(=O)N2)N1CCC(O)(c2ccc(F)cc2)CC1 ZINC000028952073 HF Annotated Anodyne C[C@H]([C@@H](O)c1ccc2c(c1)OCC(=O)N2)N1CCC(O)(c2ccc(F)cc2)CC1 ZINC000028952075 HF Annotated Anodyne C[C@@H]([C@H](O)c1ccc2c(c1)OCC(=O)N2)N1CCC(O)(c2ccc(F)cc2)CC1 ZINC000028952076 HF Annotated Anodyne C[C@H]([C@H](O)c1ccc2c(c1)OCC(=O)N2)N1CCC(O)(c2ccc(F)cc2)CC1 ZINC000028952078 HF Annotated Anodyne COc1cccc(C2(O)CCN([C@@H](C)[C@@H](O)c3ccc4c(c3)CCC(=O)N4)CC2)c1 ZINC000028952127 HF Annotated Anodyne COc1cccc(C2(O)CCN([C@H](C)[C@@H](O)c3ccc4c(c3)CCC(=O)N4)CC2)c1 ZINC000028952129 HF Annotated Anodyne COc1cccc(C2(O)CCN([C@@H](C)[C@H](O)c3ccc4c(c3)CCC(=O)N4)CC2)c1 ZINC000028952131 HF Annotated Anodyne COc1cccc(C2(O)CCN([C@H](C)[C@H](O)c3ccc4c(c3)CCC(=O)N4)CC2)c1 ZINC000028952133 HF Annotated Anodyne CS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(O)nc12 ZINC000028954116 HF Annotated Anodyne COc1ccc2c(c(/C=C3\C(=O)NN=C3c3cnns3)cn2C)c1Br ZINC000028955055 HF Annotated Clean C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@H](OC(=O)CC)C1=CCOC1=O ZINC000028956259 HF Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@@H](OC(=O)CC)C1=CCOC1=O ZINC000028956262 HF Annotated Mild O=C1NCCCC[C@H]1N(Cc1ccc(O)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957594 HF Annotated Anodyne CC1(C)C[C@]2(C(=O)NC(=O)N=C2O)N(c2ccc(Oc3ccc(F)cc3)nc2)C1=O ZINC000028960260 HF Annotated Anodyne CC(=O)O[C@]12CCC(C(=O)O)=CC[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O ZINC000028966291 HF Annotated Anodyne in-vitro biogenic CC(=O)O[C@]12CC=C(C)[C@H](O)C[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O ZINC000028966423 HF Annotated Anodyne CC(=O)O[C@]12CC=C(C)C(=O)C[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O ZINC000028966427 HF Annotated Mild CC(=O)O[C@]12CC[C@](C)(O)C=C[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O ZINC000028966443 HF Annotated Anodyne O=C(Cc1ccc(O)cc1)N1C(=O)C(c2ccc(O)cc2)=C(c2ccc(O)cc2)[C@@H]1O ZINC000028969880 HF Annotated Anodyne O=C(Cc1ccc(O)cc1)N1C(=O)C(c2ccc(O)cc2)=C(c2ccc(O)cc2)[C@H]1O ZINC000028969886 HF Annotated Anodyne O=C(CS(=O)(=O)N1CC=C(c2ccc(-c3ccccc3)c(Cl)c2)CC1)NO ZINC000028970100 HF Annotated Bother CCc1cc(C2=CCN(S(=O)(=O)CC(=O)NO)CC2)ccc1-c1ccccc1 ZINC000028970106 HF Annotated Bother CC(=O)OCC1=CO[C@@H](OC(=O)C=C(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]21CO1 ZINC000028972727 HF Annotated Anodyne CO[C@@](C(=O)O[C@@H](C)CC1=C[C@H](O)[C@@H](C)OC1=O)(c1ccccc1)C(F)(F)F ZINC000028973015 HF Annotated Anodyne CO[C@](C(=O)O[C@@H](C)CC1=C[C@H](O)[C@@H](C)OC1=O)(c1ccccc1)C(F)(F)F ZINC000028973021 HF Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2ccccc2F)O1 ZINC000028974314 HF Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2ccccc2F)O1 ZINC000028974319 HF Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2ccccc2F)O1 ZINC000028974325 HF Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2ccccc2F)O1 ZINC000028974332 HF Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cccc(F)c2)O1 ZINC000028974430 HF Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2cccc(F)c2)O1 ZINC000028974436 HF Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2cccc(F)c2)O1 ZINC000028974442 HF Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2cccc(F)c2)O1 ZINC000028974447 HF Annotated Anodyne NC(=O)c1[nH]c2ccc(Cc3ccc(Cl)cn3)cc2c1S(=O)(=O)N1CCCC1 ZINC000029038975 HF Annotated Anodyne CS(=O)(=O)/N=C(\O)NCCc1c(-c2ccc(F)cc2)[nH]c2ccc(C#N)cc12 ZINC000029041488 HF Annotated Mild COc1cc([C@@H]2Oc3cc(/C=C/C=O)cc(O)c3O[C@H]2CO)cc(OC)c1OC ZINC000029042401 HF Annotated Reactive O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccc(O)c(C(=O)O)c3)o2)SC1=S ZINC000029043977 HF Annotated Clean C[C@H]1C[C@@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CC(=O)N(C)C)C1 ZINC000029044247 HF Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CCC(N)=O)C1 ZINC000029044420 HF Annotated Anodyne O=C(c1cncc(CS(=O)(=O)c2c(Cl)cccc2Cl)c1)N1CCOCC1 ZINC000029049822 HF Annotated Anodyne CN1CCN(CC#Cc2ccc(CN(CC(C)(C)C)c3ccnc(C#N)n3)cc2)CC1 ZINC000029052028 HF Annotated Mild COc1cc(F)c(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2C)c(F)c1 ZINC000029057173 HF Annotated Anodyne CC(=O)O[C@@H]1C#C/C=C\C#CC[C@H]2C(=O)N(C(=O)NCc3cccc4ccccc34)[C@H]12 ZINC000029061656 HF Annotated Mild CC(=O)O[C@H]1C#C/C=C\C#CC[C@H]2C(=O)N(C(=O)NCc3cccc4ccccc34)[C@H]12 ZINC000029062655 HF Annotated Mild CCN(C(=O)c1ccccc1)c1cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000029063259 HF Annotated Clean CN(C(=O)c1ccccc1)c1cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000029063435 HF Annotated Clean CC(=O)O[C@@H]1C#C/C=C\C#CC[C@H]2C(=O)N(C(=O)NCc3ccc4ccccc4c3)[C@H]12 ZINC000029064143 HF Annotated Mild CN(Cc1ccco1)C(=O)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000029080329 HF Annotated Anodyne COc1c(N2CCSCC2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000029123142 HF Annotated Bother COc1c(N2COCC2(C)C)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000029123513 HF Annotated Bother C#CCOc1ccc(CCNC(=O)[C@H](OCC#C)c2cccc(OC)c2)cc1OC ZINC000029126115 HF Annotated Mild C#CCOc1ccc(CCNC(=O)[C@@H](OCC#C)c2cccc(OC)c2)cc1OC ZINC000029126116 HF Annotated Mild C#CCOc1ccc(CCNC(=O)[C@@H](COCc2ccccc2)OCC#C)cc1OC ZINC000029126557 HF Annotated Mild C#CCOc1ccc(CCNC(=O)[C@H](COCc2ccccc2)OCC#C)cc1OC ZINC000029126558 HF Annotated Mild C#CCOc1ccc(CCNC(=O)[C@@H](COc2ccc(C)cc2)OCC#C)cc1OC ZINC000029126593 HF Annotated Mild C#CCOc1ccc(CCNC(=O)[C@H](COc2ccc(C)cc2)OCC#C)cc1OC ZINC000029126594 HF Annotated Mild C#CCOc1ccc(CCNC(=O)[C@H](OCC#C)c2ccc(COC)cc2)cc1OC ZINC000029126705 HF Annotated Mild C#CCOc1ccc(CCNC(=O)[C@@H](OCC#C)c2ccc(COC)cc2)cc1OC ZINC000029126706 HF Annotated Mild C[C@@]12CC[C@@](C)(O1)[C@H]1C(=O)N(c3ccc(C#N)c(I)c3)C(=O)[C@H]12 ZINC000029126921 HF Annotated Mild C[C@@]12CC[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(I)c3)C(=O)[C@@H]12 ZINC000029126922 HF Annotated Mild O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1c1ccc(I)c(Cl)c1 ZINC000029127279 HF Annotated Anodyne O=C1[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1ccc(I)c(Cl)c1 ZINC000029127280 HF Annotated Anodyne CCc1[nH]c2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1 ZINC000029127389 HF Annotated Bother COC(=O)CCC[C@H](O)[C@H](O)/C=C/C=C/C=C\C=C\[C@H](O)COc1ccc(F)cc1 ZINC000029127750 HF Annotated Anodyne COc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cn1 ZINC000029129222 HF Annotated Anodyne COc1ccc(CN([C@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cn1 ZINC000029129223 HF Annotated Anodyne COc1cc(-n2c(-c3ccc([N+](=O)[O-])cc3)cn(C(C)=O)c2=O)cc(OC)c1OC ZINC000029130265 HF Annotated Bother COc1ccc(-c2c[nH]c(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000029130747 HF Annotated Bother COc1ccc(-c2cn(C(C)=O)c(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000029131372 HF Annotated Anodyne c1cc(C2CCN(c3ccc(NC4=NCCN4)cc3)CC2)ccc1NC1=NCCN1 ZINC000029132920 HF Annotated Anodyne Cc1cn2c(/C=N/NC3=NCCN3)c(-c3ccc(Cl)c([N+](=O)[O-])c3)nc2s1 ZINC000029133393 HF Annotated Mild C=C1C(=O)O[C@H]2/C=C(\C)[C@@H](OC(C)=O)C/C=C(\C)C[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@H]12 ZINC000029134580 HF Annotated Anodyne COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2n1COP(=O)(O)O ZINC000029134917 HF Annotated Anodyne COc1ccc2cc(S(=O)(=O)[C@@H]3SC(=O)NC3=O)ccc2c1C(F)(F)F ZINC000029212507 HF Annotated Anodyne COc1ccc2cc(S(=O)(=O)[C@H]3SC(=O)NC3=O)ccc2c1C(F)(F)F ZINC000029212510 HF Annotated Anodyne COc1ccc2cc(S(=O)(=O)[C@@H]3SC(=O)NC3=O)ccc2c1Br ZINC000029213950 HF Annotated Anodyne COc1ccc2cc(S(=O)(=O)[C@H]3SC(=O)NC3=O)ccc2c1Br ZINC000029213955 HF Annotated Anodyne COc1ccc2c(S(=O)(=O)[C@@H]3SC(=O)NC3=O)cccc2c1C(F)(F)F ZINC000029215342 HF Annotated Anodyne COc1ccc2c(S(=O)(=O)[C@H]3SC(=O)NC3=O)cccc2c1C(F)(F)F ZINC000029215346 HF Annotated Anodyne CCOc1ccc2nc(SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)sc2c1 ZINC000029217456 HF Annotated Anodyne O=S1(=O)CCC[C@H]2Nc3ccnn3[C@H](c3ccc(F)c(Br)c3)[C@H]21 ZINC000029309775 HF Annotated Anodyne O=S1(=O)CCC[C@H]2Nc3ccnn3[C@@H](c3ccc(F)c(Br)c3)[C@H]21 ZINC000029309786 HF Annotated Anodyne O=S1(=O)CCC[C@H]2Nc3ccnn3[C@H](c3ccc(F)c(Br)c3)[C@@H]21 ZINC000029309804 HF Annotated Anodyne O=S1(=O)CCC[C@H]2Nc3ccnn3[C@@H](c3ccc(F)c(Br)c3)[C@@H]21 ZINC000029309831 HF Annotated Anodyne COc1cc(O)c2c(c1C)C(=O)OC/C(S)=N/[C@H](c1nc(C)no1)CSC2 ZINC000029314858 HF Annotated Anodyne CCN(CC)CCn1nc2c3c(c(NCCN)ccc31)S(=O)(=O)c1ccccc1-2 ZINC000029324248 HF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccn(-c3ccc(N4CCSCC4)c(F)c3)c2)C(=O)O1 ZINC000029325283 HF Annotated Anodyne Cc1ccc(S(=O)(=O)NCCN[C@@]2(c3ccccc3)OC(=O)c3ccccc32)cc1 ZINC000029329432 HF Annotated Anodyne Cc1ccc(S(=O)(=O)NCCN[C@]2(c3ccccc3)OC(=O)c3ccccc32)cc1 ZINC000029329437 HF Annotated Anodyne CCCCSC/C=C(\C)C[C@@H]1OC[C@@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000029339042 HF Annotated Anodyne CCCCSC/C=C(\C)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000029339046 HF Annotated Anodyne O=C1C(N2CC2)=CC(=O)c2c(OS(=O)(=O)c3cccc4cccnc34)cccc21 ZINC000029346323 HF Annotated Mild C/C(=C\Sc1ccccc1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000029346986 HF Annotated Anodyne Cc1nn(C)c(NC(=O)CNCCN(C(C)C)C(C)C)c1C(=O)c1ccccc1F ZINC000029389045 HF Annotated Anodyne Cc1ccc(Cn2c(S(C)(=O)=O)nc3c(N(C)C)nc(C(F)(F)F)nc32)cc1 ZINC000029390763 HF Annotated Anodyne O=C1C(NCCCl)=CC(=O)c2c(OS(=O)(=O)Cc3ccccc3)cccc21 ZINC000029390886 HF Annotated Reactive CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1cc(OC)c(OC)c(OC)c1)CO2 ZINC000029393311 HF Annotated Anodyne CSc1c(F)c(N2CCN(C)CC2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000029397922 HF Annotated Anodyne CCCNC(=O)NS(=O)(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC000029399034 HF Annotated Anodyne COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc5c(c4)CCO5)CC3)OC2=O)cc1 ZINC000029412001 HF Annotated Anodyne Nc1ccccc1N(CCI)CCI ZINC000029413424 HF Annotated Reactive COC(=O)Cn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN(C1CCCCC1)C2=O ZINC000029414758 HF Annotated Anodyne CCCCCCOC(CN1CC[N+]2(CCCC2)CC1)CN1CC[N+]2(CCCC2)CC1 ZINC000029466537 HF Annotated Bother CC(C)/N=c1\c(O)c(O)\c1=N/C/C=C\COc1csc(CN2CCCCC2)c1 ZINC000029472990 HF Annotated Anodyne CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000029480517 HF Annotated Bother CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000029487180 HF Annotated Bother C[C@@H](OC(=O)CCCC(=O)O)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000029546811 HF Annotated Anodyne C[C@H](OC(=O)CCCC(=O)O)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000029546815 HF Annotated Anodyne N#Cc1ccc(CN(Cc2cc(-c3ccccc3Cl)on2)[C@H](CO)C(N)=O)cc1 ZINC000029554558 HF Annotated Mild N#Cc1ccc(CN(Cc2cc(-c3ccccc3Cl)on2)[C@@H](CO)C(N)=O)cc1 ZINC000029554561 HF Annotated Mild O=C1CNC(=O)N1CCN1CC[C@@H]2c3cc(F)ccc3N(c3ccc(F)cc3)[C@@H]2C1 ZINC000029558265 HF Annotated Anodyne O=C1CNC(=O)N1CCN1CC[C@@H]2c3cc(F)ccc3N(c3ccc(F)cc3)[C@H]2C1 ZINC000029558269 HF Annotated Anodyne O=C(O)C[C@@H](CC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(F)cc1 ZINC000029562829 HF Annotated Reactive O=C(O)C[C@H](CC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(F)cc1 ZINC000029562832 HF Annotated Reactive COc1cccc2c1O[C@@H]1C=C(OC[C@]3(C)CO3)C=C(OC[C@]3(C)CO3)[C@@H]1C2=O ZINC000299806824 HF Annotated Anodyne COc1cccc2c1O[C@@H]1C=C(OC[C@]3(C)CO3)C=C(OC[C@@]3(C)CO3)[C@H]1C2=O ZINC000299806825 HF Annotated Anodyne CC(=O)CC(=O)O[C@]1(C)CC[C@H]2C[C@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 ZINC000299809175 HF Annotated Reactive CC(=O)CC(=O)O[C@@]1(C)CC[C@H]2C[C@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 ZINC000299809176 HF Annotated Reactive CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccccc2)[C@H]1c1ccc(O)cc1 ZINC000299811090 HF Annotated Anodyne CCOC(=O)[C@H](C)/N=C1\CCN(C(=O)[C@H](C)CS)[C@H]1Cc1ccc(OC)cc1 ZINC000299812581 HF Annotated Mild NC(=NO)c1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=NO)c2ccccc2-3)c1 ZINC000299814455 HF Annotated Mild C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccc(C/N=c2\c(N3CCCC3)c(O)c2=O)cc1 ZINC000299814714 HF Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2ccc(C/N=c3\c(N4CCCC4)c(O)c3=O)cc2)CCC[C@H]1C ZINC000299814715 HF Annotated Anodyne COc1nc(O[C@H]2C(C)(C)[C@H](NC(=O)c3cnc4ncccn34)C2(C)C)ccc1C#N ZINC000299816208 HF Annotated Mild CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc(Cl)c2Cl)nc1O ZINC000299816603 HF Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc(C(F)(F)F)c2)nc1O ZINC000299816883 HF Annotated Anodyne O=C(CCn1sc2cccc(F)c2c1=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000299818919 HF Annotated Reactive CCOC(=O)c1ccc(/N=C2\C(=O)Nc3ccc(Cl)cc32)c(N2CCOCC2)n1 ZINC000299819626 HF Annotated Mild NS(=O)(=O)c1ccc2nc(-n3cc(/C=N/O)c(-c4ccc(F)cc4)n3)sc2c1 ZINC000299819635 HF Annotated Mild CCN(CC)C/C=C/C(=O)NC/C=C/c1cc(OC)cc(O)c1C(=O)OC(C)C ZINC000299819640 HF Annotated Anodyne COCC(=O)NCCCCN(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000299819657 HF Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3noc4c(Cl)cccc34)CC2)cc1 ZINC000299821557 HF Annotated Bother COc1ccc2c(c1)C[C@]1(O)C(=O)/C(=C(O)/C=C/c3ccccc3)C(=O)C[C@@]1(OC)O2 ZINC000299821710 HF Annotated Mild COc1ccc2c(=O)n(-c3ccc(I)cc3F)c(=O)oc2c1 ZINC000299822076 HF Annotated Anodyne C=CS(=O)(=O)NC/C=C/c1cc(OC)cc(O)c1C(=O)OCc1ccc(F)cc1 ZINC000299823509 HF Annotated Anodyne O=C(NC1CC1)c1cn2c(N3CCOCC3)nc(-c3cccc4[nH]ccc34)cc2n1 ZINC000299825007 HF Annotated Anodyne O=C(NCCc1ccco1)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000299825416 HF Annotated Anodyne COc1ccc2[nH]cc([C@]3(O)C(=O)Nc4ccc(I)cc43)c2c1 ZINC000299825901 HF Annotated Anodyne COc1ccc2[nH]cc([C@@]3(O)C(=O)Nc4ccc(I)cc43)c2c1 ZINC000299825902 HF Annotated Anodyne COc1cc(CCCC(=O)NC(=N)NCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000299826933 HF Annotated Bother COCC(=O)NCCCN(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000299827395 HF Annotated Anodyne COc1cc(CC(=O)NC(=N)NCc2ccccc2Cl)c([N+](=O)[O-])cc1OC ZINC000299827805 HF Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3noc4cccc(Cl)c34)CC2)cc1 ZINC000299828529 HF Annotated Bother O=C(/C=C/c1ccc([N+](=O)[O-])cc1)O[C@@H]1[C@H]2OC(=O)C[C@H]2O[C@@H]1Cc1ccccc1 ZINC000299829658 HF Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3noc4cc(Cl)ccc34)CC2)cc1 ZINC000299829764 HF Annotated Bother COc1c2c(cc3c1c(=O)c1cc4ccccc4nc1n3C)OC(C)(C)[C@@H](O)[C@H]2O ZINC000299830876 HF Annotated Bother COc1ccc2cc([C@H](C)C(=O)OCCS(=O)(=O)CC3(C)COC3)ccc2c1 ZINC000299831266 HF Annotated Anodyne CCn1nc(COC)cc1Oc1cc(CC2CCOCC2)cnc1NC(=O)NC ZINC000299832696 HF Annotated Anodyne C=C1CC[C@H]2[C@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1[C@@H](O)C(CO)=CC2=O ZINC000299833316 HF Annotated Mild CCOc1c(I)cc(S(=O)(=O)N(C)C)c2ccc(C)nc12 ZINC000299833885 HF Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CSC1=C(C)C(=O)c2cccc(OC)c2C1=O)C(=O)OC ZINC000299834092 HF Annotated Mild CC(C)Cn1c(=O)c2c3c(cnc2n(CC(C)C)c1=O)C(=O)C1=C(C3=O)[C@H]2CC[C@H]1C2 ZINC000299834601 HF Annotated Mild C[C@@H](NS(C)(=O)=O)c1ccc(CNC[C@@H]2CO[C@@H](c3ccccc3)CO2)cc1 ZINC000299834618 HF Annotated Anodyne OCCN1CCN(c2ccc3nc(Nc4ccc(C(F)(F)F)cn4)[nH]c3c2)CC1 ZINC000299834739 HF Annotated Anodyne NC(=O)c1cnc(-c2ccc(Oc3cc(F)cc(Cl)c3)cc2)nc1[C@@H](O)CO ZINC000299835754 HF Annotated Anodyne O=C1c2c(O)cccc2C(=O)c2c1c(O)cc1nc(N3CCN(C4CC4)CC3)sc21 ZINC000299835833 HF Annotated Clean CCN1CCN(c2nc3cc(O)c4c(c3s2)C(=O)c2cccc(O)c2C4=O)CC1 ZINC000299835881 HF Annotated Clean C=C1CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1C[C@]12O[C@H]1[C@@H](O)C(CO)=C(Cl)C2=O ZINC000299835975 HF Annotated Mild CC(C)(C)Cc1nc2cc(S(=O)(=O)C3CN(C(N)=O)C3)ccc2n1CC1CC1 ZINC000299836271 HF Annotated Anodyne CC(C)(CN1CCOCC1)NC(=O)c1nn(-c2ccc(F)cc2F)c2c1C[C@H]1C[C@@H]21 ZINC000299836482 HF Annotated Anodyne O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CNCc3ccco3)c(O)cc(O)c12 ZINC000299836498 HF Annotated Clean CCNC(=O)[C@@H]1CCc2[nH]c3ncnc(Nc4cc5cn[nH]c5cc4OC)c3c2C1 ZINC000299837741 HF Annotated Anodyne CCNC(=O)[C@H]1CCc2[nH]c3ncnc(Nc4cc5cn[nH]c5cc4OC)c3c2C1 ZINC000299837742 HF Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@@H]2c2cccc3c2OCO3)cc1 ZINC000299837808 HF Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@H]2c2cccc3c2OCO3)cc1 ZINC000299837809 HF Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)Nc1n[nH]c(SC)n1)=C\CC[C@@]1(C)O[C@@H]21 ZINC000299838543 HF Annotated Mild CCn1nccc1Oc1cc(C[C@@H]2CCO[C@@H](COC)C2)cnc1NC(=O)NC ZINC000299838735 HF Annotated Anodyne CCn1nccc1Oc1cc(C[C@H]2CCO[C@H](COC)C2)cnc1NC(=O)NC ZINC000299838736 HF Annotated Anodyne COc1cc(O)c(C(=O)OCc2ccc(F)cc2)c(/C=C/CN2C(=O)C=CC2=O)c1 ZINC000299838909 HF Annotated Anodyne C=C1CC[C@H]2[C@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1C[C@]12O[C@H]1[C@H](O)C(CO)=CC2=O ZINC000299838948 HF Annotated Mild NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000299839386 HF Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)C[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000299839387 HF Annotated Anodyne CC(=O)Oc1cc(CCOC(=O)CCc2ccc(O)c(OC(C)=O)c2)ccc1O ZINC000299839621 HF Annotated Anodyne COC(=O)C(CC1=C(c2ccc(OC)cc2)CC(C)(C)ON1C(C)=O)C(=O)OC ZINC000299839686 HF Annotated Anodyne CCNC(=O)Nc1ccc(NC(=O)c2cc(OC)cc(-c3cnc(O)nc3O)c2)cc1 ZINC000299839780 HF Annotated Anodyne CCc1cc(=O)c2ccc(Oc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)cc2o1 ZINC000299840360 HF Annotated Anodyne Cc1cc(=O)oc2c(C)c(Oc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)ccc12 ZINC000299841355 HF Annotated Anodyne CN1C[C@H]2[C@H]3CN[C@H]4C[C@@]3(C(=O)Cc3ccccc3)[C@H]1C[C@]42C(=O)Cc1ccccc1 ZINC000299847173 HF Annotated Anodyne C=C(O)OC[C@]12CC[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@H]([C@]3(C)CO3)[C@@H](O)[C@@H]1O2 ZINC000299847214 HF Annotated Anodyne C=C(O)OC[C@]12CC[C@H]3O[C@]3(C)CC[C@@H]3O[C@]3(C)CC[C@H]([C@]3(C)CO3)[C@@H](O)[C@@H]1O2 ZINC000299847215 HF Annotated Anodyne COC(=O)C1=C[C@@H]2C3=C(N4CCCN(C)CC4)c4ccccc4N(C)C3=N[C@H]2C=C1 ZINC000299848297 HF Annotated Anodyne CNC1=NC(=O)[C@H]([C@@H](C)c2cn(C(=O)O[C@H](C)CN(C)C)c3ccccc23)S1 ZINC000299849117 HF Annotated Anodyne CNC1=NC(=O)[C@H]([C@H](C)c2cn(C(=O)O[C@H](C)CN(C)C)c3ccccc23)S1 ZINC000299849121 HF Annotated Anodyne CC1(C)O[C@@H]2O[C@@H](Cc3cn4ccccc4nc3=O)[C@H](OCc3ccccc3)[C@H]2O1 ZINC000299849766 HF Annotated Anodyne CC1(C)O[C@@H]2O[C@@H](Cc3cn4ccccc4nc3=O)[C@@H](OCc3ccccc3)[C@H]2O1 ZINC000299849767 HF Annotated Anodyne COc1ccc(OC)c([C@@H]2[C@H]([N+](=O)[O-])[C@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000299849882 HF Annotated Bother COc1ccc(OC)c([C@@H]2[C@@H]([N+](=O)[O-])[C@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000299849886 HF Annotated Bother COc1ccc(S(=O)(=O)N2C(=O)NC3(C2=O)c2ccccc2-c2ccccc23)cc1 ZINC000299850161 HF Annotated Anodyne O=C(c1nc2scc(C3CC3)n2c1Cl)N1CCN([C@@H]2CC[C@@H](O)CC2)C(=O)C1 ZINC000299850919 HF Annotated Anodyne CC(C)(O)c1nc(-c2ccc(CNC(=O)c3cnc(-c4ccccn4)nc3)cc2)no1 ZINC000299851070 HF Annotated Anodyne O=C(O)CCc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12 ZINC000299852020 HF Annotated Anodyne COc1ccc(S(=O)(=O)N2C(=O)NC(=O)C23c2ccccc2-c2ccccc23)cc1 ZINC000299852353 HF Annotated Anodyne O=C1CCCc2c1sc1nc(C(=O)N3CCN(C4CCCC4)C(=O)C3)c(Cl)n21 ZINC000299852390 HF Annotated Anodyne O=C(O)/C=C/c1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12 ZINC000299852708 HF Annotated Anodyne NC1=N[C@](c2cc[n+]([O-])cc2)(c2cccc(-c3cn(O)cn3)c2)c2cccc(F)c21 ZINC000299853084 HF Annotated Anodyne NC1=N[C@@](c2cc[n+]([O-])cc2)(c2cccc(-c3cn(O)cn3)c2)c2cccc(F)c21 ZINC000299853085 HF Annotated Anodyne COc1cc(OC[C@@H]2CNCC[C@H]2c2ccc(F)cc2)ccc1OS(=O)(=O)O ZINC000299853676 HF Annotated Anodyne COc1ccc(-c2c(C)nc3c(NCCNC(C)=O)cc(Cl)nn23)cc1OC ZINC000299855663 HF Annotated Anodyne CS(=O)(=O)NC(=O)c1ccc(-c2c(C#N)c(O)nc3c2COc2ccccc2-3)cc1 ZINC000299855943 HF Annotated Mild O=C1C[C@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(Cc3ncc(Cl)cn3)c2N1 ZINC000299855991 HF Annotated Anodyne O=C1C[C@@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(Cc3ncc(Cl)cn3)c2N1 ZINC000299855992 HF Annotated Anodyne C[C@H](N[P@](=O)(Oc1ccccc1)O[C@H]1C[C@H](O)[C@@H](CO)C1)C(=O)OC(C)(C)C ZINC000299856100 HF Annotated Anodyne C[C@H](N[P@@](=O)(Oc1ccccc1)O[C@@H]1C[C@H](O)[C@@H](CO)C1)C(=O)OC(C)(C)C ZINC000299856102 HF Annotated Anodyne C[C@H](N[P@](=O)(Oc1ccccc1)O[C@@H]1C[C@H](O)[C@@H](CO)C1)C(=O)OC(C)(C)C ZINC000299856105 HF Annotated Anodyne C[C@H](N[P@@](=O)(Oc1ccccc1)O[C@H]1C[C@H](O)[C@@H](CO)C1)C(=O)OC(C)(C)C ZINC000299856108 HF Annotated Anodyne CN(C)/C=N/N=C/c1cn(S(=O)(=O)c2ccc(F)cc2)c2cccc([N+](=O)[O-])c12 ZINC000299858846 HF Annotated Mild CCCc1cc(=O)oc2c1c(OCCN1CCOCC1)cc1oc(C(=O)O)cc12 ZINC000299859006 HF Annotated Anodyne O=C1Nc2c(F)cccc2[C@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 ZINC000299859220 HF Annotated Anodyne O=C1Nc2c(F)cccc2[C@@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 ZINC000299859221 HF Annotated Anodyne O=C[C@H](Cc1c[nH]cn1)NC[C@@H]1C[C@H]2CCCC[C@@H]2CN1C(=O)c1ccc(F)cc1 ZINC000299859568 HF Annotated Mild CN1C[C@H](c2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](CO)SC(=O)N43)cn2)OC1=O ZINC000299860819 HF Annotated Anodyne Cc1ccc(O)c2c3c(nn12)CC[C@@](C)(NC(=O)c1ccc(-n2ccnn2)cc1)C3 ZINC000299860915 HF Annotated Anodyne Cc1ccc(O)c2c3c(nn12)CC[C@](C)(NC(=O)c1ccc(-n2ccnn2)cc1)C3 ZINC000299860916 HF Annotated Anodyne O=C(Nc1ccc(-c2csc(=O)[nH]2)cc1S(=O)(=O)NC1CCCC1)C1CC1 ZINC000299862031 HF Annotated Anodyne COc1cc(C2=NCC(=O)N(C)c3c2ccc(OC)c3OC)cc(OC)c1OC ZINC000299862501 HF Annotated Anodyne COc1ccc(N2C3=C(C(=O)CC(C)(C)C3)[C@]3(O)C(=O)c4ccccc4[C@]23O)cc1 ZINC000299863174 HF Annotated Mild C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)C(C)(C)C)[C@]3(C[C@]5(O)[C@H]67)[C@@H]1O ZINC000299863409 HF Annotated Mild O=c1c(/C=N/Nc2nc(N3CCOCC3)c3ccsc3n2)coc2ccc(O)cc12 ZINC000299865048 HF Annotated Mild O=c1c(/C=N/Nc2nc(N3CCOCC3)c3sccc3n2)coc2ccc(O)cc12 ZINC000299865398 HF Annotated Mild O=C1Nc2ccc(F)cc2[C@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 ZINC000299865921 HF Annotated Anodyne O=C1Nc2ccc(F)cc2[C@@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 ZINC000299865922 HF Annotated Anodyne COc1ccccc1N1C2=C(C(=O)CC(C)(C)C2)[C@]2(O)C(=O)c3ccccc3[C@]12O ZINC000299867187 HF Annotated Mild O=c1c(CNc2ccc(S(=O)(=O)Nc3ncccn3)cc2)coc2ccccc12 ZINC000299867565 HF Annotated Anodyne COc1cccc(N2C3=C(C(=O)CC(C)(C)C3)[C@]3(O)C(=O)c4ccccc4[C@]23O)c1 ZINC000299868313 HF Annotated Mild COc1ccc2c(c1)[C@@]1(C(=O)N2)C2=C(COC2=O)Nc2[nH]nc(-c3ccccc3)c21 ZINC000299870324 HF Annotated Anodyne COc1ccc2c(c1)[C@]1(C(=O)N2)C2=C(COC2=O)Nc2[nH]nc(-c3ccccc3)c21 ZINC000299870327 HF Annotated Anodyne CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)[C@@H]1CCN(O)C(=O)C1 ZINC000299871144 HF Annotated Anodyne CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)[C@H]1CCN(O)C(=O)C1 ZINC000299871145 HF Annotated Anodyne O=C1NCC[C@]12CCN(c1c(Cl)cncc1-c1ccc(N3CCOCC3)cc1)C2 ZINC000299871603 HF Annotated Anodyne O=C1NCC[C@@]12CCN(c1c(Cl)cncc1-c1ccc(N3CCOCC3)cc1)C2 ZINC000299871604 HF Annotated Anodyne Cc1ccc2c(c1)[C@]1(C(=O)N2)c2c(O)nc(O)nc2Nc2[nH]nc(-c3ccccc3)c21 ZINC000299871928 HF Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C(=O)N2)c2c(O)nc(O)nc2Nc2[nH]nc(-c3ccccc3)c21 ZINC000299871929 HF Annotated Anodyne C[C@@H]1[C@@H](NC(=O)C2CCC(C/N=c3/c(N4CCCC4)c(O)c3=O)CC2)CCC[C@H]1C ZINC000299872688 HF Annotated Anodyne C[C@H]1[C@H](C)CCC[C@H]1NC(=O)C1CCC(C/N=c2/c(N3CCCC3)c(O)c2=O)CC1 ZINC000299872689 HF Annotated Anodyne C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccc(C/N=c2/c(N3CCCC3)c(O)c2=O)cc1 ZINC000299872722 HF Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2ccc(C/N=c3/c(N4CCCC4)c(O)c3=O)cc2)CCC[C@H]1C ZINC000299872723 HF Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@H]2CCCO2)[C@H]1c1cccs1 ZINC000299872724 HF Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1cccs1 ZINC000299872725 HF Annotated Anodyne Cc1nc(N2CCC(N3C[C@H]4CC[C@H]3C4)CC2)nc2cc(S(C)(=O)=O)ccc12 ZINC000299872902 HF Annotated Anodyne CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5OC(C)=O)N3[C@@H]1OC(C)=O ZINC000299873057 HF Annotated Anodyne CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5OC(C)=O)N3[C@@H]1OC(C)=O ZINC000299873058 HF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299873888 HF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299873889 HF Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccccc2)C1 ZINC000299874219 HF Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccccc2)C1 ZINC000299874220 HF Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)c1 ZINC000299875559 HF Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)c1 ZINC000299875560 HF Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccsc1 ZINC000299876139 HF Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccsc1 ZINC000299876140 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299876612 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299876613 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299876614 HF Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccoc2)C1 ZINC000299876680 HF Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccoc2)C1 ZINC000299876681 HF Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000299877017 HF Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000299877018 HF Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000299877019 HF Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000299877104 HF Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000299877105 HF Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 ZINC000299877106 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@H](C)O ZINC000299877266 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@H](C)O ZINC000299877267 HF Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C[C@@H]2C(=O)O[C@@]34[C@@H](CC[C@@]5(C)O[C@H]53)[C@H](C)CC[C@@H]24)C1 ZINC000299877569 HF Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C[C@@H]2C(=O)O[C@@]34[C@H]2CC[C@H](C)[C@H]3CC[C@@]2(C)O[C@H]24)C1 ZINC000299877570 HF Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C[C@@H]2C(=O)O[C@@]34[C@H]2CC[C@@H](C)[C@H]3CC[C@@]2(C)O[C@H]24)C1 ZINC000299877571 HF Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C[C@@H]2C(=O)O[C@@]34[C@@H](CC[C@@]5(C)O[C@H]53)[C@@H](C)CC[C@@H]24)C1 ZINC000299877572 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299877946 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299877947 HF Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000299878314 HF Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000299878315 HF Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 ZINC000299878316 HF Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 ZINC000299878317 HF Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(C)=O)CC(C)(C)O2 ZINC000299878500 HF Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(C)=O)CC(C)(C)O2 ZINC000299878501 HF Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccccc2)C1 ZINC000299878553 HF Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccccc2)C1 ZINC000299878554 HF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1OC ZINC000299879579 HF Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1OC ZINC000299879580 HF Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)cc1 ZINC000299880158 HF Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)cc1 ZINC000299880159 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](C)CO ZINC000299880721 HF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@@H](O)c2ccccc2)N(C(=O)c2ccco2)C1 ZINC000299880811 HF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](O)c2ccccc2)N(C(=O)c2ccco2)C1 ZINC000299880812 HF Annotated Anodyne CCOC(=O)CCc1nc2nc(N(C)[C@@H](C)[C@@H](O)c3ccccc3)ccc2nc1O ZINC000299880834 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299882390 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299882391 HF Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](O)CN1c1nc(-c2ccc(Cl)s2)cs1 ZINC000299882483 HF Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccc(Cl)s2)cs1 ZINC000299882484 HF Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299882633 HF Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299882634 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC000299882794 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000299882795 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000299882796 HF Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccco1 ZINC000299883136 HF Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccco1 ZINC000299883137 HF Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299883217 HF Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299883218 HF Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000299883579 HF Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000299883580 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299883672 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299883673 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299883674 HF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)c2cnccn2)C1 ZINC000299883899 HF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)c2cnccn2)C1 ZINC000299883900 HF Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)c1 ZINC000299884180 HF Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@@H](NC(C)=O)C2)c1 ZINC000299884181 HF Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccoc2)C1 ZINC000299885145 HF Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccoc2)C1 ZINC000299885146 HF Annotated Anodyne COc1cc2nc(N(C)C[C@@H](O)c3ccccc3)nc(NC[C@H](C)O)c2cc1OC ZINC000299886520 HF Annotated Anodyne COc1cc2nc(N(C)C[C@@H](O)c3ccccc3)nc(NC[C@@H](C)O)c2cc1OC ZINC000299886521 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299886558 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299886559 HF Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@@H]1C[C@@H](O)CN1c1nc(-c2cc3ccccc3o2)cs1 ZINC000299886784 HF Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](O)CN1c1nc(-c2cc3ccccc3o2)cs1 ZINC000299886785 HF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299886919 HF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299886920 HF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)N(C(=O)c2ccco2)C1 ZINC000299886944 HF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@H](O)c2ccccc2)N(C(=O)c2ccco2)C1 ZINC000299886945 HF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@@H](O)c2ccccc2)N(C(=O)c2ccco2)C1 ZINC000299886946 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299887204 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299887205 HF Annotated Anodyne CCN1CCN(C(=O)c2ccc(CS(=O)(=O)Cc3ccccc3Cl)o2)CC1 ZINC000003006077 HF Annotated Anodyne Nc1c(C(=O)NC[C@H]2CCCO2)sc2ccc(S(=O)(=O)N3CCCCC3)cc12 ZINC000003048578 HF Annotated Anodyne Nc1c(C(=O)NC[C@@H]2CCCO2)sc2ccc(S(=O)(=O)N3CCCCC3)cc12 ZINC000003048580 HF Annotated Anodyne CCN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)c3ccccc3)c2)CC1 ZINC000003217194 HF Annotated Anodyne COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000003235653 HF Annotated Anodyne O=C(COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)NCc1ccco1 ZINC000003241082 HF Annotated Anodyne Cn1cnnc1Sc1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000003243054 HF Annotated Bother Cc1ccc(SCC(=O)NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C ZINC000003326310 HF Annotated Anodyne COc1ccc2c(c1)CCC[C@@]21NC(=O)N(CC(=O)c2cc(F)ccc2F)C1=O ZINC000003336161 HF Annotated Anodyne COc1ccc2c(c1)CCC[C@]21NC(=O)N(CC(=O)c2cc(F)ccc2F)C1=O ZINC000003336163 HF Annotated Anodyne COc1cc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCCCC2)ccc1NC(C)=O ZINC000003351066 HF Annotated Anodyne COc1cc(S(=O)(=O)NC[C@H](c2ccco2)N2CCCCC2)ccc1NC(C)=O ZINC000003351068 HF Annotated Anodyne Cc1ccc(NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c(Br)c1 ZINC000003416938 HF Annotated Anodyne Cc1ccccc1Nc1nc(N)nc(COC(=O)[C@H](NC(=O)c2ccco2)C(C)C)n1 ZINC000003419462 HF Annotated Anodyne COc1cc(/C=N/N2C(=O)NC3(CCC(C)CC3)C2=O)cc(Br)c1O ZINC000003433067 HF Annotated Mild O=S(=O)(NCc1ccc2c(c1)OCO2)c1c(F)cc(F)cc1Br ZINC000003444069 HF Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O ZINC000003464534 HF Annotated Anodyne CC1=C[C@@H]2[C@@H]3[C@H](CC(=O)[C@]24C(=O)N[C@H](CC(C)C)[C@@H]4[C@H]1C)[C@H]1O[C@@]3(C)CC[C@@H]1O ZINC000306146087 HF Annotated Anodyne CC1=C[C@@H]2[C@@H]3[C@H](CC(=O)[C@]24C(=O)N[C@H](CC(C)C)[C@@H]4[C@@H]1C)[C@H]1O[C@@]3(C)CC[C@H]1O ZINC000306146088 HF Annotated Anodyne CC1=C[C@@H]2[C@@H]3[C@H](CC(=O)[C@]24C(=O)N[C@H](CC(C)C)[C@@H]4[C@H]1C)[C@H]1O[C@@]3(C)CC[C@H]1O ZINC000306146089 HF Annotated Anodyne CC1=C[C@@H]2[C@@H]3[C@H](CC(=O)[C@]24C(=O)N[C@H](CC(C)C)[C@@H]4[C@@H]1C)[C@H]1O[C@@]3(C)CC[C@@H]1O ZINC000306146090 HF Annotated Anodyne CC(=NNC(=O)[C@H]1C(=O)NC[C@H]1c1ccccc1)c1cccc(Br)c1 ZINC000306147024 HF Annotated Reactive CC(=NNC(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1)c1cccc(Br)c1 ZINC000306147025 HF Annotated Reactive CC(=NNC(=O)[C@@H]1C(=O)NC[C@@H]1c1ccccc1)c1cccc(Br)c1 ZINC000306147026 HF Annotated Reactive C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@]13O[C@@H]3C[C@@H]2c1ccc(=O)oc1 ZINC000031483334 HF Annotated Anodyne OCCn1cnc2c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)ncnc21 ZINC000031545075 HF Annotated Anodyne COC(=O)CCCC(=O)NC1=C(NCc2ccccc2)C(=O)c2ccccc2C1=O ZINC000031861572 HF Annotated Mild Cc1c(CN2CCOCC2)c(CN2CCOCC2)c(C)n1-c1ccc(Cl)cn1 ZINC000031871420 HF Annotated Anodyne N[C@H]1CC(=O)c2c(I)sc(I)c21 ZINC000031872579 HF Annotated Anodyne CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1OC(=S)c1ccccc1 ZINC000031905977 HF Annotated Anodyne CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1OC(=S)c1ccccc1 ZINC000031905978 HF Annotated Anodyne CO[C@@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1OC(=S)c1ccccc1 ZINC000031905979 HF Annotated Anodyne CO[C@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1OC(=S)c1ccccc1 ZINC000031905980 HF Annotated Anodyne CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](OC(=S)c2ccccc2)[C@@H]1O ZINC000031905981 HF Annotated Anodyne CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](OC(=S)c2ccccc2)[C@@H]1O ZINC000031905982 HF Annotated Anodyne CO[C@@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](OC(=S)c2ccccc2)[C@@H]1O ZINC000031905983 HF Annotated Anodyne CO[C@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](OC(=S)c2ccccc2)[C@@H]1O ZINC000031905984 HF Annotated Anodyne COc1cc(C(=O)O[C@@H]2CC(C)=C[C@@H](O)[C@@]3(C)C(=O)C[C@@](O)(C(C)C)[C@H]23)ccc1O ZINC000032296223 HF Annotated Anodyne CC(=O)[C@H]1CC(=O)[C@@]2(C)[C@]34O[C@@]3(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC4=O ZINC000032296437 HF Annotated Anodyne C=C[C@@]1(C)CCC2=C([C@H]1O)[C@H](O)C[C@@H]1[C@]2(C)[C@@H](OC(C)=O)CC[C@@]1(C)C(=O)OC ZINC000032296782 HF Annotated Mild Cn1cc(C(=O)N/N=C/C2=C(N3CCOCC3)/C(=C\c3ccccc3)CC2)ccc1=O ZINC000032690886 HF Annotated Reactive COc1cc(/C=C2/SC(N(C)c3ccc(O)cc3)=NC2=O)ccc1OCC(=O)O ZINC000033311597 HF Annotated Clean O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OC(=O)c2ccco2)cc1 ZINC000033338809 HF Annotated Reactive Cc1ccc(-c2c(C(=O)N/N=C\c3cccc(Cl)c3)nnn2-c2nonc2N)cc1 ZINC000033365077 HF Annotated Reactive COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2nn(CCO)c(N)c2C#N)o1 ZINC000033400094 HF Annotated Reactive COc1ccc(/C=N\N=C2/NC(=O)[C@@H](CC(=O)Nc3ccccc3)S2)cc1OC ZINC000033432120 HF Annotated Mild CC(=O)OC[C@H]1O[C@@H](n2c(Cl)c(C#N)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O ZINC000033505298 HF Annotated Mild N#CC(=C=N)C1=C(C#N)[C@H](c2ccccc2F)[C@@H]([n+]2ccccc2)[C@@](O)(C2CC2)N1 ZINC000033678831 HF Annotated Reactive N#CC(=C=N)C1=C(C#N)[C@H](c2ccccc2F)[C@H]([n+]2ccccc2)[C@@](O)(C2CC2)N1 ZINC000033678832 HF Annotated Reactive C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)[C@H](N2CCOCC2)S3)[C@@H]1C ZINC000033684447 HF Annotated Anodyne Cc1ccc(N(CC(=O)N/N=C\c2cccc(Br)c2)S(C)(=O)=O)cc1 ZINC000033740057 HF Annotated Reactive CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@]12CO2 ZINC000033785052 HF Annotated Anodyne in-man CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@]12CO2 ZINC000033785053 HF Annotated Anodyne in-man CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@H](OC(=O)CC(C)C)[C@@H]2[C@]12CO2 ZINC000033785054 HF Annotated Anodyne in-man CC(=O)O[C@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@]12CO2 ZINC000033785055 HF Annotated Anodyne in-man CCCCCC[C@@H](C)C1=C(O)C(=O)[C@@H]2[C@H](O)[C@H](C)C[C@H](O)[C@H]2[C@]1(C)C(=O)CCO ZINC000033817687 HF Annotated Mild C/C=C1/C[N+]2([O-])CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@@]4(COC(C)=O)C(=O)OC ZINC000033830932 HF Annotated Bother in-vitro biogenic C/C=C1/C[N+]2([O-])CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@]4(COC(C)=O)C(=O)OC ZINC000033830933 HF Annotated Bother CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@H](C)[C@H]1OC(=O)[C@@]1(C)OC1(C)C ZINC000033831004 HF Annotated Anodyne in-vitro biogenic C[C@]1(C(=O)NCCN2CCOCC2)C=CC2(CCCCC2)N1C(=O)c1ccccc1 ZINC000033913747 HF Annotated Anodyne C[C@@]1(C(=O)NCCN2CCOCC2)C=CC2(CCCCC2)N1C(=O)c1ccccc1 ZINC000033913748 HF Annotated Anodyne S=c1[nH]c(S)nc2n[nH]c(Cc3nn4c(Cc5ccccc5)nnc4s3)c12 ZINC000033917587 HF Annotated Anodyne CC1=C[C@@H]2/C=C(/C)CC[C@H](O)[C@@H](O)/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000033954880 HF Annotated Mild COc1cc(=O)oc(/C=C/C=C/C=C/[C@@]2(C)O[C@]3(C)[C@@H](O)[C@@](C)(O[C@@H]3C)[C@H]2O)c1C ZINC000033954968 HF Annotated Anodyne CC(=O)O[C@@H]1O[C@@H]2O[C@@H]3OC(=O)/C(=C\C=C4\CCCC(C)(C)C4)[C@@H]3[C@@H]2[C@H]1OC(C)=O ZINC000033955587 HF Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@](C)(CCC2=C[C@@H](O)OC2=O)[C@H]1C ZINC000034104997 HF Annotated Anodyne CNC1([C@@H]2CCN(c3ccc4c(=O)c(C(=O)O)cn([C@@H]5C[C@@H]5F)c4c3OC)C2)CC1 ZINC000034296661 HF Annotated Anodyne CC(C)C(=O)O[C@H]1[C@@H]2C=C[C@H]3C[C@H](O)C[C@@H]4CC(=O)/C(=C\[C@H]3[C@@H]2C[C@H]1C)C(=O)O4 ZINC000034518101 HF Annotated Mild NCC(Cl)=C1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 ZINC000034545140 HF Annotated Anodyne CCN(CC)C(=O)c1c(N2CCN(C)CC2)c2cccnc2n2c(C(C)C)nnc12 ZINC000034545188 HF Annotated Anodyne C=C1C(=O)O[C@H]2C/C(COC(C)=O)=C\C/C=C(/COC(=O)CC(C)C)[C@H](O)C[C@H]12 ZINC000034609028 HF Annotated Mild COc1cc(C(=O)c2n[nH]c3c(C#C[C@H](C)O)c(OC)ccc23)cc(OC)c1OC ZINC000034630028 HF Annotated Mild COc1cc(C(=O)c2n[nH]c3c(C#C[C@@H](C)O)c(OC)ccc23)cc(OC)c1OC ZINC000034630030 HF Annotated Mild CCN1C[C@H](C)n2c(c(O)c3c(=O)n(Cc4ccc(F)c(Cl)c4)ncc32)C1=O ZINC000034641878 HF Annotated Anodyne Cc1noc(C)c1CN1[C@H](c2c(C)n(CC(=O)O)c3ccccc23)CCS1(=O)=O ZINC000034642185 HF Annotated Anodyne Cc1noc(C)c1CN1[C@@H](c2c(C)n(CC(=O)O)c3ccccc23)CCS1(=O)=O ZINC000034642186 HF Annotated Anodyne CC(=O)OC[C@@]1(COC(=O)c2ccccc2)O[C@H]1/C=C\COC(=O)c1ccccc1 ZINC000034770896 HF Annotated Anodyne CS(=O)(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1 ZINC000034776323 HF Annotated Anodyne CS(=O)(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 ZINC000034776327 HF Annotated Anodyne O=C1C=C(C(F)(F)F)[C@@H]2C=C(N(CC(F)(F)F)C(=O)C(F)(F)F)C=C[C@H]2N1 ZINC000034799923 HF Annotated Mild O=C1C=C(C(F)(F)F)[C@H]2C=C(N(CC(F)(F)F)C(=O)C(F)(F)F)C=C[C@H]2N1 ZINC000034799924 HF Annotated Mild O=C1C=C(C(F)(F)F)[C@@H]2C=C(N(CC(F)(F)F)C(=O)C(F)(F)F)C=C[C@@H]2N1 ZINC000034799925 HF Annotated Mild O=C1C=C(C(F)(F)F)[C@H]2C=C(N(CC(F)(F)F)C(=O)C(F)(F)F)C=C[C@@H]2N1 ZINC000034799926 HF Annotated Mild CCn1cc2c(n1)N=C(/N=C(\O)Nc1ccccc1OC)N1NC(c3ccco3)=N[C@H]21 ZINC000034800807 HF Annotated Mild CCn1cc2c(n1)N=C(/N=C(\O)Nc1ccccc1OC)N1NC(c3ccco3)=N[C@@H]21 ZINC000034800808 HF Annotated Mild CCn1cc2c(n1)N=C(/N=C(\O)Nc1ccc(F)cc1)N1NC(c3ccco3)=N[C@H]21 ZINC000034800813 HF Annotated Mild CCn1cc2c(n1)N=C(/N=C(\O)Nc1ccc(F)cc1)N1NC(c3ccco3)=N[C@@H]21 ZINC000034800814 HF Annotated Mild NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3sccc3c2)cc1 ZINC000034804665 HF Annotated Anodyne NCc1ccc(CCCNCCNS(=O)(=O)c2cc3ccccc3s2)cc1 ZINC000034804673 HF Annotated Anodyne Cc1nc2ccc(S(=O)(=O)NCCNCCCc3ccc(CN)cc3)cc2s1 ZINC000034804694 HF Annotated Anodyne Cn1c(C(F)(F)c2nc3c(F)cc(F)cc3[nH]2)nc2ccc(C(=O)NCCO)cc21 ZINC000034804716 HF Annotated Anodyne Cc1cc(C)c(-n2nnnc2SCC(=O)Nc2ccc(C(N)=O)cc2C)c(C)c1 ZINC000034817556 HF Annotated Anodyne C=C1C[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@]4(C)C(=O)N(CCO)[C@@H]1O[C@@H]3[C@@H](OC(C)=O)[C@H]42 ZINC000034827274 HF Annotated Mild O=C1c2c(c(C(=O)N3CCOCC3)c3cccnc3c2O)CN1Cc1ccc(F)cc1 ZINC000034849729 HF Annotated Anodyne O=C(C1CCC1)N1CCc2cc(S(=O)(=O)N3CCn4c3nc3ccccc34)ccc21 ZINC000034859915 HF Annotated Anodyne N#CCSc1nc2cc(C(=O)N3CCOCC3)ccc2c(=O)n1Cc1ccccc1 ZINC000034860090 HF Annotated Mild CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCc3ccccn3)c21 ZINC000034860912 HF Annotated Anodyne Cc1c(C(=O)N2CCCC[C@@H]2C)sc2ncn(CC(=O)N3CCCCC3)c(=O)c12 ZINC000034861406 HF Annotated Anodyne Cc1c(C(=O)N2CCCC[C@H]2C)sc2ncn(CC(=O)N3CCCCC3)c(=O)c12 ZINC000034861408 HF Annotated Anodyne CN1CCN(c2ncc3c(n2)CCN(Cc2cc(Br)cs2)C3)CC1 ZINC000034870517 HF Annotated Anodyne CN(CC(N)=O)Cc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)no1 ZINC000034891619 HF Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000034891703 HF Annotated Anodyne CCOC(=O)[C@H]1C[C@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000034891704 HF Annotated Anodyne Cc1cc(C(F)(F)F)c(-c2noc(-c3cc(O)c(O)c([N+](=O)[O-])c3)n2)c(C)[n+]1[O-] ZINC000034892873 HF Annotated Clean CCCc1nc(-c2ccc(F)cc2)oc1C(=O)N[C@H](C)CN1CCN(C(C)=O)CC1 ZINC000034987867 HF Annotated Anodyne COc1cccc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c12 ZINC000003591301 HF Annotated Anodyne COc1cccc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@@H]3C)c12 ZINC000003591303 HF Annotated Anodyne CC(C)c1nnc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 ZINC000003645022 HF Annotated Anodyne O=C1c2ccccc2-n2c(nc3ccccc3c2=O)[C@@H]2C[C@]3(O)c4ccccc4N[C@@H]3N12 ZINC000003776138 HF Annotated Anodyne in-vitro CC1(N)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c2F)C1 ZINC000003796409 HF Annotated Anodyne C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)C(=O)NC3 ZINC000003809586 HF Annotated Anodyne C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc(C=O)c(C=O)c1O2 ZINC000003813292 HF Annotated Anodyne O=C1NC(=O)[C@@](CC#Cc2ccc(Cl)cc2)(S(=O)(=O)c2ccccn2)S1 ZINC000003813951 HF Annotated Mild O=C1NC(=O)[C@@](CC#Cc2ccc(F)cc2)(S(=O)(=O)c2ccc(F)cc2)S1 ZINC000003813953 HF Annotated Mild COCCOC(=O)[C@@]12C[C@H]3C[C@H](CCOC)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 ZINC000003816428 HF Annotated Anodyne in-vivo C[C@H]1COc2c(N3C[C@H](CNC4CC4)[C@@H](C)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000003817239 HF Annotated Anodyne COCCCOc1ccc(C#C[C@@]2(O)CN3CCC2CC3)c(Cc2ccccc2)n1 ZINC000003817776 HF Annotated Mild in-vivo OC[C@H]1O[C@@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H](F)[C@@H]1O ZINC000003823455 HF Annotated Anodyne CN(C)CCn1cc(S(=O)(=O)c2c(Cl)nc3sccn23)c2cccnc21 ZINC000003927102 HF Annotated Anodyne CN(C)C(=O)Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O ZINC000003949098 HF Annotated Anodyne c1ccc(Cn2c(CN3CCOCC3)nnc2C2CCN(c3ccccn3)CC2)cc1 ZINC000003949334 HF Annotated Anodyne N=C(c1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](CC(=O)O)CO3)cc1)N1CCOCC1 ZINC000003951495 HF Annotated Anodyne Cc1nc2ccc(S(=O)(=O)N(C)CC(=O)N3CCc4ccccc4C3)cc2s1 ZINC000003958628 HF Annotated Anodyne CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3cccc(F)c3)ccc21 ZINC000003959019 HF Annotated Anodyne O=C(C1CCC1)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21 ZINC000003959390 HF Annotated Clean aggregator COC[C@H]1CCCN1C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1 ZINC000003976970 HF Annotated Anodyne CC(C)CNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NC(C)C)cn2)CC1 ZINC000003981833 HF Annotated Anodyne COC(=S)NC[C@H]1CN(c2ccc(C(=O)/C=C/c3ccccn3)c(F)c2)C(=O)O1 ZINC000003988116 HF Annotated Mild COC[C@@H]1CCCN1C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1 ZINC000003991481 HF Annotated Anodyne CCOC(=O)[C@@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1ccccc1 ZINC000035049991 HF Annotated Anodyne CCOC(=O)[C@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1ccccc1 ZINC000035049992 HF Annotated Anodyne CC(=O)c1c(O)c(C(C)C)cc2c(c1=O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2O[C@H]3O ZINC000035065360 HF Annotated Anodyne CC[C@]12C=CCN3CCc4c(n(c5cc(OC)c(OC)cc45)[C@](O)(C(=O)OC)C1)[C@@H]32 ZINC000035241599 HF Annotated Anodyne CC[C@]12C=CCN3CCc4c(n(c5cc(OC)c(OC)cc45)[C@@](O)(C(=O)OC)C1)[C@@H]32 ZINC000035241600 HF Annotated Anodyne COc1ccc([C@@H](O)[C@H]2CO[C@H](c3ccc(OC)c(OC)c3)[C@H]2CO)cc1OC ZINC000035242226 HF Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2CC(=O)C([C@@H](C)C(=O)OC)=C[C@]2(C)[C@H]1C(=O)OC ZINC000035259361 HF Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2CC(=O)C([C@H](C)C(=O)OC)=C[C@]2(C)[C@H]1C(=O)OC ZINC000035259362 HF Annotated Mild COc1cc(C(=O)c2n[nH]c3c(C#CC(C)(C)O)c(OC)ccc23)cc(OC)c1OC ZINC000035259841 HF Annotated Mild C/C(=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000035263195 HF Annotated Mild Cc1noc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccc(Br)cc2-3)n1 ZINC000035279346 HF Annotated Anodyne COC(=O)c1cc2c(cc1NC(=O)c1cc3cccc(OC)c3oc1=O)OCCO2 ZINC000035311266 HF Annotated Anodyne C[C@@H](O)C/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000035456773 HF Annotated Anodyne CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1 ZINC000035795123 HF Annotated Anodyne COc1cc(C(=O)c2n[nH]c3c(C#CCCO)c(OC)ccc23)cc(OC)c1OC ZINC000035817413 HF Annotated Mild O=C(CO)N1CCC(c2nnc3ccc(Sc4ccc(F)cc4F)cn23)CC1 ZINC000035827667 HF Annotated Anodyne CCOCCn1nc(CC)c2nc(N3CCC(N)CC3)nc(Nc3cc(C)ccn3)c21 ZINC000035849095 HF Annotated Anodyne CN(CCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1no[n+]([O-])c1C(N)=O ZINC000035919532 HF Annotated Anodyne COc1ccc(CN2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2CCCN2[C@H]3c2ccc(C#N)cc2)cc1 ZINC000035943174 HF Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(Cn4ccnn4)cc3)c(F)c2)C(=O)O1 ZINC000035951331 HF Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC/C(=C\C(=O)N(C)CCO)[C@H](C)[C@@H]3C(=O)C[C@@H]12 ZINC000035997574 HF Annotated Anodyne COCCN(CCOC)[C@H](CCSC)C(=O)Oc1c(OC)cc(C)cc1OC ZINC000036080035 HF Annotated Anodyne COCCN(CCOC)[C@@H](CCSC)C(=O)Oc1c(OC)cc(C)cc1OC ZINC000036080036 HF Annotated Anodyne O=C1CNC(=O)N1CCN1CC[C@H]2c3cc(F)ccc3N(c3ccc(F)cc3)[C@H]2C1 ZINC000036093057 HF Annotated Anodyne O=C1CNC(=O)N1CCN1CC[C@H]2c3cc(F)ccc3N(c3ccc(F)cc3)[C@@H]2C1 ZINC000036093058 HF Annotated Anodyne O=C1c2ccccc2S(=O)(=O)N1COP(=O)(c1ccccc1)c1ccccc1 ZINC000036241843 HF Annotated Reactive COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2[C@@H]1[C@H]1CC[C@@]3(CCC(=O)O3)[C@@]1(C)[C@H]1O[C@@H]21 ZINC000036288960 HF Annotated Anodyne COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2[C@@H]3O[C@@H]3[C@@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@H]21 ZINC000036288961 HF Annotated Anodyne CC1=C[C@@H]2/C=C(/C)CC[C@H](O)[C@H](O)/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@H]3[C@H]1C ZINC000036374500 HF Annotated Mild CC1=C[C@@H]2/C=C(/C)CC[C@H](O)[C@H](O)/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000036374506 HF Annotated Mild C=CCN1Cc2ccccc2C[C@@]2(COC(c3ccc(OCCCO)cc3)=N2)C1=O ZINC000036375532 HF Annotated Mild CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)c1C ZINC000036380010 HF Annotated Mild CS(=O)(=O)N1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000036381480 HF Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](CC(C)C)Nc3ncnc(N4CCOCC4)c32)cc1 ZINC000036382454 HF Annotated Anodyne COc1ccc(CN2C(=O)[C@H](CC(C)C)Nc3ncnc(N4CCOCC4)c32)cc1 ZINC000036382455 HF Annotated Anodyne O=C1C[C@@H]2c3c(cccc3CN1Cc1ccc(Br)cc1)C[C@@H](O)[C@H]2O ZINC000036382944 HF Annotated Anodyne COc1ccc(CN2[C@@H](CC(=O)O)c3ccc(/C=C/C(=O)O)cc3S2(=O)=O)cc1 ZINC000036383044 HF Annotated Anodyne O=C1C[C@@H]2c3c(cccc3CN1Cc1ccccc1Br)C[C@@H](O)[C@H]2O ZINC000036383127 HF Annotated Anodyne NCCCn1c(C(=O)c2cc(Cl)c(N)c(Cl)c2)c2ccc([N+](=O)[O-])cc2[n+]1[O-] ZINC000036383456 HF Annotated Bother COc1ccc(C(=O)c2c3ccc(C(F)(F)F)cc3[n+]([O-])n2CCCC(N)=O)cc1 ZINC000036383460 HF Annotated Anodyne COC1(OC)N=C(NC(=O)Nc2ccccc2)[C@]2(C#N)[C@@H](c3ccccc3)[C@]12C#N ZINC000036384002 HF Annotated Mild COC(=O)C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2C(=O)NCCNC(C)=O ZINC000036384239 HF Annotated Anodyne COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C ZINC000036384263 HF Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1cccc2c1C(=O)c1ccc(Cl)cc1S2(=O)=O ZINC000036384304 HF Annotated Anodyne COC(=O)C1=C(c2ccc(C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)CC1 ZINC000036384319 HF Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)CC1 ZINC000036384320 HF Annotated Anodyne CCSc1ccc([C@@H]2[C@H]3C(=O)N(CC)C(=O)[C@H]3[C@]3(C(=O)OC)CCCCN23)cc1 ZINC000036386490 HF Annotated Anodyne COC(=O)[C@@]12CCCN1[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]1C(=O)N(C)C(=O)[C@@H]12 ZINC000036386492 HF Annotated Anodyne COC(=O)[C@@]12CCCN1[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000036386505 HF Annotated Anodyne COC(=O)[C@]1(C)N[C@H](c2ccc(SC3CCCCC3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000036386534 HF Annotated Anodyne CC[C@@H](C)Sc1ccc([C@H]2N[C@@](C)(C(=O)OC)[C@H]3C(=O)N(CC)C(=O)[C@@H]23)cc1 ZINC000036386544 HF Annotated Anodyne CC[C@H](C)Sc1ccc([C@H]2N[C@@](C)(C(=O)OC)[C@H]3C(=O)N(CC)C(=O)[C@@H]23)cc1 ZINC000036386545 HF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)c3ccccc3NC(=O)[C@@]12C ZINC000036387201 HF Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)c3cc(F)ccc3NC(=O)[C@@]12C ZINC000036387206 HF Annotated Anodyne COc1ccc2c(C(=O)c3ccc(C)cc3)n(Cc3ccc(C(N)=O)cc3)[n+]([O-])c2c1 ZINC000036387405 HF Annotated Anodyne COC(=O)/C=C/c1ccccc1CN1[C@@H](CC(=O)OC)c2ccccc2S1(=O)=O ZINC000036388017 HF Annotated Anodyne CN(Cc1ccccc1)C(=O)c1[nH]cnc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000036388132 HF Annotated Anodyne C[C@@H](NC(=O)c1[nH]cnc1C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000036388159 HF Annotated Anodyne C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000036388160 HF Annotated Anodyne CC1CCN(C(=O)c2[nH]cnc2C(=O)NCCCCCNC(=O)OC(C)(C)C)CC1 ZINC000036388177 HF Annotated Anodyne COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)NCC1CC1 ZINC000036388547 HF Annotated Anodyne COc1ccc(CC(=O)OCCc2cn(-c3cc4ccccc4oc3=O)nn2)cc1 ZINC000036388932 HF Annotated Anodyne Cc1ccc(CNC(=O)Cn2cnc3c(NC(=O)OCc4ccccc4)ncnc32)o1 ZINC000036389491 HF Annotated Anodyne COC(=O)C1=C[C@@H]2CCCN3CC[C@]4(C3=O)c3ccccc3N(C(=O)OC)[C@]14CC2 ZINC000036409580 HF Annotated Anodyne N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3CCCN32)cc1F ZINC000036425652 HF Annotated Anodyne O=c1[nH]c2cnc(-n3cnc4ccccc43)nc2n1[C@@H]1CCOc2c(F)cccc21 ZINC000036472689 HF Annotated Anodyne O=c1n(-c2ccccc2)c(=O)n2n1CC=C1[C@H]2c2ccc(O)cc2OC12CCCC2 ZINC000036473068 HF Annotated Anodyne O=c1n(-c2ccccc2)c(=O)n2n1CC=C1[C@@H]2c2ccc(O)cc2OC12CCCC2 ZINC000036473069 HF Annotated Anodyne C[C@@H]1C[C@H]2CN1CCn1nc3c(cccc3c1O)-c1nc3c(cccc3[nH]c1=O)O2 ZINC000036770746 HF Annotated Anodyne CSCCc1nc2nc(N3CCC(O)(Cc4ccccc4)CC3)ccc2[nH]c1=O ZINC000037492502 HF Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c1C ZINC000037865638 HF Annotated Mild Cc1[nH]n(-c2ccccc2)c(=NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1C#N ZINC000377365001 HF Annotated Mild COc1ccc2nc3c(C)c4ccn([C@@H]5OC[C@H](O)[C@H](O)[C@@H]5O)cc4c(C)c3c2c1 ZINC000377376565 HF Annotated Bother COc1ccc2nc3c(C)c4ccn([C@@H]5OC[C@H](O)[C@@H](O)[C@H]5O)cc4c(C)c3c2c1 ZINC000377376566 HF Annotated Bother COc1ccc2nc3c(C)c4ccn([C@@H]5OC[C@H](O)[C@@H](O)[C@@H]5O)cc4c(C)c3c2c1 ZINC000377376567 HF Annotated Bother COc1ccc2nc3c(C)c4ccn([C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)cc4c(C)c3c2c1 ZINC000377376568 HF Annotated Bother Cc1c2ccn([C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@@H]3O)cc2c(C)c2c1nc1ccc(O)cc12 ZINC000377386518 HF Annotated Bother Cc1c2ccn([C@@H]3O[C@H](C)[C@H](O)[C@@H](O)[C@@H]3O)cc2c(C)c2c1nc1ccc(O)cc12 ZINC000377386521 HF Annotated Bother Cc1c2ccn([C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)cc2c(C)c2c1nc1ccc(O)cc12 ZINC000377386522 HF Annotated Bother Cc1c2ccn([C@@H]3O[C@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2c(C)c2c1nc1ccc(O)cc12 ZINC000377386524 HF Annotated Bother CO[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1n1ccc2c(C)c3nc4ccc(O)cc4c3c(C)c2c1 ZINC000377386526 HF Annotated Bother COC(=O)N=C1N=c2ccc(C(=O)c3cc([C@@H](N=N)C(F)(F)F)cs3)cc2=N1 ZINC000377553943 HF Annotated Mild COC(=O)N=C1N=c2ccc(C(=O)c3cc([C@H](N=N)C(F)(F)F)cs3)cc2=N1 ZINC000377553949 HF Annotated Mild CO[C@H]1CO[C@@H](n2ccc3c(C)c4nc5ccc(O)cc5c4c(C)c3c2)[C@H](O)[C@H]1O ZINC000377805967 HF Annotated Bother CO[C@H]1[C@@H](O)CO[C@@H](n2ccc3c(C)c4nc5ccc(O)cc5c4c(C)c3c2)[C@@H]1O ZINC000377815824 HF Annotated Bother O=[n+]1[nH]c2c(I)cnn2c2cc(OCc3ccco3)ccc21 ZINC000377815838 HF Annotated Anodyne O=[n+]1[nH]c2c(I)cnn2c2cc(OCc3ccccc3)ccc21 ZINC000377815873 HF Annotated Anodyne COc1cc([C@@H]2CC(c3c(C)n(O)c4ccccc4[n+]3=O)=NN2)cc(OC)c1OC ZINC000377829926 HF Annotated Anodyne COc1cc([C@H]2CC(c3c(C)n(O)c4ccccc4[n+]3=O)=NN2)cc(OC)c1OC ZINC000377829927 HF Annotated Anodyne O=[n+]1[nH]c2c(I)cnn2c2cc(-c3ccccc3O)ccc21 ZINC000377836322 HF Annotated Anodyne COc1ccc2nc3c(C)c4ccn([C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)cc4c(C)c3c2c1 ZINC000377841760 HF Annotated Bother CCOc1ccc(NC(=O)C(=O)CC(=O)c2cn(O)c3cc(C)c(C)cc3[n+]2=O)cc1 ZINC000377843639 HF Annotated Anodyne O=[n+]1[nH]c2c(I)cnn2c2cc(NCc3ccccc3)ccc21 ZINC000377845198 HF Annotated Anodyne O=[n+]1[nH]c2c(I)cnn2c2cc(NCc3ccco3)ccc21 ZINC000377845421 HF Annotated Anodyne CCOC(=O)N1Cc2cc(-c3ccc(/C=C4\NC(=S)NC4=O)s3)ccc2C1=O ZINC000377848817 HF Annotated Anodyne COc1cc(CN2CCOCC2)c2cc3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 ZINC000377848959 HF Annotated Anodyne CN1CCN(C2=C/C(=C/C=C3/C=C([N+](=O)[O-])C=CC3=O)N(C)c3ccccc32)CC1 ZINC000377853434 HF Annotated Mild CN1CCN(C2=C/C(=C/C=C3\C=C([N+](=O)[O-])C=CC3=O)N(C)c3ccccc32)CC1 ZINC000377853435 HF Annotated Mild Cc1c2ccn([C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)cc2c(C)c2c1nc1ccc(O)cc12 ZINC000377853801 HF Annotated Bother COc1ccc2nc3c(C)c4ccn([C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc4c(C)c3c2c1 ZINC000377857497 HF Annotated Bother COc1ccc2nc3c(C)c4ccn([C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc4c(C)c3c2c1 ZINC000377857498 HF Annotated Bother Cc1c2ccn([C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2c(C)c2c1nc1ccc(O)cc12 ZINC000377857512 HF Annotated Bother CCn1c(=O)n(Cc2nc3ccccc3n2CCC[C@H](O)C(C)=O)c2ccccc21 ZINC000038142860 HF Annotated Anodyne CCn1c(=O)n(Cc2nc3ccccc3n2CCC[C@@H](O)C(C)=O)c2ccccc21 ZINC000038142861 HF Annotated Anodyne CC(=O)CC(=O)O[C@]1(C)CC[C@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000038148243 HF Annotated Reactive CC(=O)CC(=O)O[C@@]1(C)CC[C@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000038148244 HF Annotated Reactive CC(=O)CC(=O)O[C@]1(C)CC[C@H]2C[C@@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 ZINC000038148261 HF Annotated Reactive CC(=O)CC(=O)O[C@@]1(C)CC[C@H]2C[C@@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 ZINC000038148262 HF Annotated Reactive COc1ccc2c(=O)n(C[C@H](O)CO)c(C#N)c(-c3cccc(C(F)(F)F)c3)c2c1 ZINC000038149671 HF Annotated Mild COc1ccc2c(=O)n(C[C@@H](O)CO)c(C#N)c(-c3cccc(C(F)(F)F)c3)c2c1 ZINC000038149672 HF Annotated Mild Nc1nsc(-c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nn2)n1 ZINC000038153800 HF Annotated Anodyne COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc(O)c3N)cc(Br)c1OC ZINC000038153938 HF Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc(O)c3N)cc(Br)c1OC ZINC000038153939 HF Annotated Reactive COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc(N)c3N)cc(Br)c1O ZINC000038153956 HF Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc(N)c3N)cc(Br)c1O ZINC000038153957 HF Annotated Reactive CCNCc1cncc(-c2ccc3c(c2)/C(=C2/N=c4cc(F)cc(F)c4=N2)NN3)c1C ZINC000038192608 HF Annotated Anodyne in-man CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CNC)cn1 ZINC000038225784 HF Annotated Anodyne CO[C@@H]1CC[C@]2(C)OC(=O)[C@H](C)[C@@H]3CC[C@@](C)(OC(C)=O)[C@H]4[C@H](C[C@@]1(C)O)O[C@H]2[C@@H]34 ZINC000038249817 HF Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CCO)cn1 ZINC000038253737 HF Annotated Anodyne CCOCCn1nc(CC)c2nc(N3CCCNCC3)nc(Nc3cc(C)ccn3)c21 ZINC000038253793 HF Annotated Anodyne C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)[C@@H](C(=C)C)C(=O)/C(O)=C(/C)C(=O)[C@H]1OC(C)=O ZINC000038279825 HF Annotated Mild O=C(c1ccc(Cl)cc1)[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2C=CC=NN21 ZINC000038279905 HF Annotated Anodyne COc1cc2c(cc1OC)C(=O)C(c1cc(OC)c(OC)cc1[N+](=O)[O-])=C(O)C2=O ZINC000038280647 HF Annotated Anodyne COc1cc([C@@H]2c3cc(OC)c(O)c(OC)c3[C@H](O)[C@]3(C)O[C@]23C)cc(OC)c1O ZINC000038309077 HF Annotated Anodyne Cc1nnc(-c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)o1 ZINC000038334559 HF Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(C)(C)[C@]2(O)CCc3c(cc(O)c(C=O)c3C)[C@@]12C ZINC000038359492 HF Annotated Anodyne Cn1c(N2CCO[C@@H](c3c(F)cccc3Cl)C2)nc(-c2ccncn2)cc1=O ZINC000038395160 HF Annotated Anodyne O=C1O[C@@H](COc2cnsn2)CN1c1ccc(N2Cc3cccnc3C2)c(F)c1 ZINC000038396092 HF Annotated Anodyne O=C1O[C@@H](CNC(=S)C(F)F)CN1c1ccc([C@H]2C=CS(=O)(=O)CC2)cc1 ZINC000038460248 HF Annotated Anodyne O=C1O[C@@H](CNC(=S)C(F)F)CN1c1ccc([C@@H]2C=CS(=O)(=O)CC2)cc1 ZINC000038460249 HF Annotated Anodyne C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C[C@@H]1CNC1CC1 ZINC000038479992 HF Annotated Anodyne CN(C)CCCNC(=O)c1cc2nc3c(cnc4ccc([N+](=O)[O-])cc43)c(O)c2n1C ZINC000038512969 HF Annotated Bother C[C@H]1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)N1Cc1ccncc1 ZINC000038579307 HF Annotated Anodyne CS(=O)(=O)c1ccc([C@@H](C[C@@H]2CC[C@H](O)C2)C(=O)Nc2cnccn2)cc1Cl ZINC000038653350 HF Annotated Anodyne CS(=O)(=O)c1ccc([C@@H](C[C@H]2CC[C@H](O)C2)C(=O)Nc2cnccn2)cc1Cl ZINC000038653354 HF Annotated Anodyne CS(=O)(=O)c1ccc([C@@H](C[C@@H]2CC[C@@H](O)C2)C(=O)Nc2cnccn2)cc1Cl ZINC000038653360 HF Annotated Anodyne CS(=O)(=O)c1ccc([C@@H](C[C@H]2CC[C@@H](O)C2)C(=O)Nc2cnccn2)cc1Cl ZINC000038653366 HF Annotated Anodyne C=C1CC[C@H](C(C)C)[C@H]2[C@@H]3O[C@@H]([C@H](O)[C@](C)(O)[C@@H](O)CC[C@@]3(C)OC(=O)CCC)[C@@H]12 ZINC000038653616 HF Annotated Mild CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@]12CO2 ZINC000038654668 HF Annotated Anodyne in-vitro biogenic NC[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1c1ccccc1 ZINC000038738942 HF Annotated Anodyne CCN[C@@H](C)[C@@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1 ZINC000038838116 HF Annotated Anodyne CCOC(=O)c1cc(-c2csc(CS(=O)(=O)c3ccccc3)n2)c(=O)[nH]c1C ZINC000038839047 HF Annotated Anodyne C/C=C1/C[N+]2(C)[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3n(C)c2c(OC)cccc12 ZINC000038899019 HF Annotated Bother CN1C(C(=O)Nc2ccccn2)=C(O)c2c(c3cc(Cl)ccc3n2C)S1(=O)=O ZINC000038994162 HF Annotated Anodyne C=C[C@@]1(C)C[C@@H](O)C2=C([C@H]1OC(C)=O)[C@H](O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC ZINC000039033072 HF Annotated Mild COc1cc2c(c3c1c(=O)c1ccccc1n3C)C(=O)[C@@](O)(CC(C)=O)C(C)(C)O2 ZINC000039033207 HF Annotated Bother COc1cc2c(c3c1c(=O)c1ccccc1n3C)C(=O)[C@](O)(CC(C)=O)C(C)(C)O2 ZINC000039033208 HF Annotated Bother CN(C)CCc1nnc2n1-c1ccc(Br)cc1C(c1ccccn1)=NC2 ZINC000039254187 HF Annotated Anodyne COc1ccc([C@@H](O)[C@@H]2CO[C@H](c3ccc(OC)c(OC)c3)[C@@H]2CO)cc1OC ZINC000039289636 HF Annotated Anodyne in-vitro COc1ccc([C@@H](O)[C@@H]2CO[C@H](c3ccc(OC)c(OC)c3)[C@H]2CO)cc1OC ZINC000039289637 HF Annotated Anodyne in-vitro biogenic COc1ccc([C@@H](O)[C@@H]2CO[C@@H](c3ccc(OC)c(OC)c3)[C@H]2CO)cc1OC ZINC000039289638 HF Annotated Anodyne in-vitro CCCCSc1cc(NCc2ccco2)c(S(=O)(=O)O)cc1S(N)(=O)=O ZINC000039346357 HF Annotated Anodyne CC[C@@H]1CN(CCC(=O)NC[C@@H]2CC(=O)N(CC)C2)Cc2ccc(Cl)cc2O1 ZINC000039355562 HF Annotated Anodyne CC[C@H]1CN(CCC(=O)NC[C@@H]2CC(=O)N(CC)C2)Cc2ccc(Cl)cc2O1 ZINC000039355563 HF Annotated Anodyne Cc1c(O)nc(-c2ccc(CN3CCN(C)[C@H](CCO)C3)cc2)nc1C(F)(F)F ZINC000039467506 HF Annotated Anodyne CC(=O)c1cccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2csnn2)c1 ZINC000039981594 HF Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000004032971 HF Annotated Anodyne COc1ccc(N2CCN(c3cc(=O)n(-c4ccc(Cl)cc4)c(=O)[nH]3)CC2)cc1 ZINC000004033657 HF Annotated Clean Cn1c(=O)cc(SCC(=O)N2CCC3(CC2)OCCO3)c2ccc(Cl)cc21 ZINC000004034601 HF Annotated Anodyne Cc1nc2ccc(S(=O)(=O)N(C)CC(=O)N3CCc4ccccc43)cc2s1 ZINC000004034878 HF Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1 ZINC000004040589 HF Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1 ZINC000004040590 HF Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1 ZINC000004040592 HF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004040637 HF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000004040640 HF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004040643 HF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000004040644 HF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1OC ZINC000004040757 HF Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1OC ZINC000004040759 HF Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1OC ZINC000004040761 HF Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1OC ZINC000004040765 HF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCCO)cc1 ZINC000004041296 HF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCCO)cc1 ZINC000004041301 HF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCCO)cc1 ZINC000004041308 HF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCCO)cc1 ZINC000004041314 HF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCCO)cc1 ZINC000004041394 HF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCCO)cc1 ZINC000004041397 HF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCCO)cc1 ZINC000004041401 HF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCCO)cc1 ZINC000004041404 HF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004044151 HF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004044154 HF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004044157 HF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004044161 HF Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2)C1 ZINC000004044767 HF Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2)C1 ZINC000004044770 HF Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2)C1 ZINC000004044772 HF Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N1CCOCC1 ZINC000004045569 HF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N1CCOCC1 ZINC000004045573 HF Annotated Anodyne O=C(NCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004049198 HF Annotated Anodyne O=C(NCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049199 HF Annotated Anodyne O=C(NCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004049200 HF Annotated Anodyne O=C(NCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049201 HF Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004049459 HF Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004049460 HF Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004049461 HF Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004049462 HF Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004049479 HF Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004049480 HF Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004049481 HF Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004049482 HF Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCO ZINC000004049487 HF Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCO ZINC000004049488 HF Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCO ZINC000004049489 HF Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCO ZINC000004049490 HF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCC#N)c(OC)c1OC ZINC000004049601 HF Annotated Mild COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCC#N)c(OC)c1OC ZINC000004049602 HF Annotated Mild COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCC#N)c(OC)c1OC ZINC000004049603 HF Annotated Mild COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCC#N)c(OC)c1OC ZINC000004049604 HF Annotated Mild COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCC#N)c([N+](=O)[O-])cc1OC ZINC000004049617 HF Annotated Mild COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCC#N)c([N+](=O)[O-])cc1OC ZINC000004049618 HF Annotated Mild COc1cc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCC#N)c([N+](=O)[O-])cc1OC ZINC000004049619 HF Annotated Mild COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCC#N)c([N+](=O)[O-])cc1OC ZINC000004049620 HF Annotated Mild CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)cc1 ZINC000004051193 HF Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)cc1 ZINC000004051197 HF Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)cc1 ZINC000004051198 HF Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c1 ZINC000004051811 HF Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c1 ZINC000004051812 HF Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c1 ZINC000004051813 HF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000004051817 HF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004051818 HF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000004051820 HF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004051822 HF Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004053194 HF Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004053195 HF Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004053197 HF Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004053200 HF Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004053229 HF Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004053230 HF Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004053231 HF Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004053232 HF Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000004053690 HF Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000004053692 HF Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000004053693 HF Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)c1 ZINC000004053695 HF Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004053696 HF Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004053698 HF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004053703 HF Annotated Anodyne O=C(NCCN1CCOCC1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000004055100 HF Annotated Anodyne O=C(NCCN1CCOCC1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004055101 HF Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCOCCO ZINC000004055190 HF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCOCCO ZINC000004055191 HF Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCOCCO ZINC000004055192 HF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCOCCO ZINC000004055193 HF Annotated Anodyne O=C(CCCC1=NS(=O)(=O)c2ccccc2N1)N1CCN(c2ccccc2)CC1 ZINC000004056493 HF Annotated Anodyne Cn1c(=O)c2c(SCc3cccnc3)nc(-c3ccc(F)cc3)nc2n(C)c1=O ZINC000004061658 HF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004075560 HF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004075561 HF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004075562 HF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004075563 HF Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccoc2)C1 ZINC000004076871 HF Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccoc2)C1 ZINC000004076879 HF Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccoc2)C1 ZINC000004076907 HF Annotated Anodyne O=C([C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12)N1CCC2(CC1)OCCO2 ZINC000004077509 HF Annotated Anodyne O=C([C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12)N1CCC2(CC1)OCCO2 ZINC000004077510 HF Annotated Anodyne O=C([C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12)N1CCC2(CC1)OCCO2 ZINC000004077511 HF Annotated Anodyne O=C([C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12)N1CCC2(CC1)OCCO2 ZINC000004077512 HF Annotated Anodyne CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3nc(C)cs3)ccc21 ZINC000004077737 HF Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N1CCOCC1)[C@@H](c1cccs1)N(C)C2=O ZINC000004079315 HF Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N1CCOCC1)[C@H](c1cccs1)N(C)C2=O ZINC000004079316 HF Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N1CCOCC1)[C@@H](c1cccs1)N(C)C2=O ZINC000004079317 HF Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N1CCOCC1)[C@H](c1cccs1)N(C)C2=O ZINC000004079318 HF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCC#N)c(OC)c1 ZINC000004080743 HF Annotated Mild COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCC#N)c(OC)c1 ZINC000004080744 HF Annotated Mild COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCC#N)c(OC)c1 ZINC000004080746 HF Annotated Mild COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCC#N)c(OC)c1 ZINC000004080748 HF Annotated Mild CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCCO)cc1 ZINC000004081086 HF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCCO)cc1 ZINC000004081088 HF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCCO)cc1 ZINC000004081090 HF Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCCO)cc1 ZINC000004081091 HF Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 ZINC000004081399 HF Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000004081400 HF Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 ZINC000004081401 HF Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000004081402 HF Annotated Anodyne C[C@]1(CCOS(=O)(=O)O)CC[C@@]2(O)C(=C[C@H]3OC(=O)[C@@]4(C)CCC[C@@]2(C)[C@@H]34)C1 ZINC000004097901 HF Annotated Anodyne in-vitro Cc1cc(C)c2nc(N3CCC[C@H](C(=O)N4CCC(C(N)=O)CC4)C3)sc2c1 ZINC000004110704 HF Annotated Anodyne Cc1cc(C)c2nc(N3CCC[C@@H](C(=O)N4CCC(C(N)=O)CC4)C3)sc2c1 ZINC000004110705 HF Annotated Anodyne O=C(CCCn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O)NCc1ccco1 ZINC000004111326 HF Annotated Anodyne COC(=O)c1cc2oc(C)cc2n1CC(=O)Nc1ccc(OC)c(OC)c1OC ZINC000004111363 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2ccccc2)cc1 ZINC000004119840 HF Annotated Anodyne COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)NCc2ccccn2)c(OC)c1 ZINC000004127614 HF Annotated Anodyne O=C(c1ccco1)N1CCN(c2nc3ccccc3c(=O)n2-c2ccccc2)CC1 ZINC000004142775 HF Annotated Anodyne N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc2c(c1[N+](=O)[O-])OCO2 ZINC000004150211 HF Annotated Reactive N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc2c(c1[N+](=O)[O-])OCO2 ZINC000004150212 HF Annotated Reactive CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004153683 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004153684 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004153685 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004153978 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004153979 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004153980 HF Annotated Anodyne CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004154008 HF Annotated Anodyne CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000004154009 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004154499 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004154500 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004154501 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004154502 HF Annotated Anodyne COc1ccccc1-c1c(C#N)c(SCC(=O)N2CCCC2)nc(C)c1C(N)=O ZINC000004166303 HF Annotated Mild NC(=O)Cn1c(=O)n(-c2ccc(Cl)c(Cl)c2)c(=O)c2c3c(sc21)CCCC3 ZINC000004176354 HF Annotated Anodyne CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1[C@H]1Oc2c1c(=O)n(C)c(=O)n2C ZINC000004185810 HF Annotated Bother CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1[C@@H]1Oc2c1c(=O)n(C)c(=O)n2C ZINC000004185813 HF Annotated Bother CCn1c(=O)c2c(nc(NC3CCCC3)n2Cc2ccc(O)c(F)c2)n(CC)c1=O ZINC000004199927 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004204598 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004204601 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004204602 HF Annotated Anodyne O=C(NCCN1CCOCC1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000004206403 HF Annotated Anodyne O=C(NCCN1CCOCC1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004206406 HF Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCOCCO ZINC000004206635 HF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCOCCO ZINC000004206639 HF Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCOCCO ZINC000004206643 HF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCOCCO ZINC000004206646 HF Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccoc2)C1 ZINC000004208472 HF Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccoc2)C1 ZINC000004208473 HF Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccoc2)C1 ZINC000004208474 HF Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 ZINC000004211446 HF Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000004211449 HF Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000004211453 HF Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCO ZINC000004212819 HF Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCO ZINC000004212822 HF Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCO ZINC000004212826 HF Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCO ZINC000004212828 HF Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCO ZINC000004212871 HF Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCO ZINC000004212875 HF Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCO ZINC000004212879 HF Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCO ZINC000004212882 HF Annotated Bother CC(C)c1nnc(NC(=O)CCCCCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000004223104 HF Annotated Anodyne CC(C)c1nnc(NC(=O)CCCCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)s1 ZINC000004223105 HF Annotated Anodyne Cc1ccc(S(=O)(=O)Cn2nnnc2CN2CCCC3(CCCCC3)C2)cc1 ZINC000004230448 HF Annotated Anodyne N#Cc1cccc(NC(=O)N2CCC3(CC2)CCN(C(=O)c2csnn2)CC3)c1 ZINC000004238024 HF Annotated Mild O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCOCC3)nc2n1-c1ccccc1 ZINC000004238380 HF Annotated Anodyne COCCn1c(=O)c(-c2cccc(C#N)c2)nc2cnc(OCc3ccccc3)nc21 ZINC000004238553 HF Annotated Mild O=c1c(-c2cccs2)nc2cnc(N3CCNCC3)nc2n1CCc1ccccc1 ZINC000004238658 HF Annotated Anodyne O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc2n1-c1ccccc1 ZINC000004238678 HF Annotated Anodyne CN1CCN(c2ncc3nc(-c4cccs4)c(=O)n(-c4ccccc4)c3n2)CC1 ZINC000004238814 HF Annotated Anodyne O=c1c(CCc2ccccc2)nc2cnc(N3CCOCC3)nc2n1-c1ccccc1 ZINC000004238871 HF Annotated Anodyne O=c1c(-c2ccccc2)nc2cnc(N3CCOCC3)nc2n1Cc1ccc(F)cc1 ZINC000004238899 HF Annotated Anodyne O=c1c(-c2ccccc2)nc2cnc(N3CCOCC3)nc2n1Cc1cccs1 ZINC000004238900 HF Annotated Anodyne O=c1c(-c2ccc(F)cc2)nc2cnc(N3CCNCC3)nc2n1Cc1cccs1 ZINC000004238923 HF Annotated Anodyne O=c1c(-c2cccs2)nc2cnc(N3CCOCC3)nc2n1Cc1cccs1 ZINC000004238979 HF Annotated Anodyne CN(C)c1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(C[C@H]3CCCO3)c2n1 ZINC000004238981 HF Annotated Anodyne O=c1c(-c2cccs2)nc2cnc(N3CCOCC3)nc2n1CCc1ccccc1 ZINC000004238988 HF Annotated Anodyne CN1CCN(c2ncc3nc(-c4cccs4)c(=O)n(Cc4cccs4)c3n2)CC1 ZINC000004239094 HF Annotated Anodyne O=c1c(-c2ccc(F)cc2)nc2cnc(N3CCOCC3)nc2n1Cc1cccs1 ZINC000004239097 HF Annotated Anodyne CCNc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(C[C@H]3CCCO3)c2n1 ZINC000004239105 HF Annotated Anodyne O=c1c(-c2cccs2)nc2cnc(N3CCOCC3)nc2n1Cc1ccc(F)cc1 ZINC000004239115 HF Annotated Anodyne COc1ccc(-c2nc3cnc(N4CCOCC4)nc3n(-c3ccccc3)c2=O)cc1 ZINC000004239122 HF Annotated Anodyne COc1ccc(-n2c(=O)c(-c3cccs3)nc3cnc(N4CCOCC4)nc32)cc1 ZINC000004239144 HF Annotated Anodyne CN1CCN(c2ncc3nc(-c4ccccc4)c(=O)n(Cc4cccs4)c3n2)CC1 ZINC000004239160 HF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCC(C)(C)CO)c(OC)c1 ZINC000004295734 HF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCC(C)(C)CO)c(OC)c1 ZINC000004295737 HF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)c(OC)c1 ZINC000004295843 HF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](C)CN(C)C)c(OC)c1 ZINC000004295846 HF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H](C)CN(C)C)c(OC)c1 ZINC000004295848 HF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H](C)CN(C)C)c(OC)c1 ZINC000004295851 HF Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296229 HF Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296231 HF Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296234 HF Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296235 HF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCO)c(OC)c1 ZINC000004296588 HF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCO)c(OC)c1 ZINC000004296589 HF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCO)c(OC)c1 ZINC000004296590 HF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCO)c(OC)c1 ZINC000004296591 HF Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCO)c(OC)c1 ZINC000004310378 HF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCO)c(OC)c1 ZINC000004310379 HF Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCO)c(OC)c1 ZINC000004310380 HF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCO)c(OC)c1 ZINC000004310381 HF Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCOCCO ZINC000004310634 HF Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCOCCO ZINC000004310635 HF Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCOCCO ZINC000004310636 HF Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCOCCO ZINC000004310637 HF Annotated Anodyne Fc1ccc2c(c1)nnn2C1CCN(Cc2nnnn2CCc2ccccc2)CC1 ZINC000004375245 HF Annotated Anodyne CCCc1cc(N2CCC[C@H](C(=O)Nc3ccc(OC)cc3OC)C2)n2ncnc2n1 ZINC000004388744 HF Annotated Anodyne CCCc1cc(N2CCC[C@@H](C(=O)Nc3ccc(OC)cc3OC)C2)n2ncnc2n1 ZINC000004388745 HF Annotated Anodyne Cc1cccc2cc(C#N)c(NCCNS(=O)(=O)c3ccc4c(c3)OCCO4)nc12 ZINC000004411392 HF Annotated Mild Cc1cc(=O)n2nc(N3CCC(C(=O)N[C@@H]4CCCc5ccccc54)CC3)sc2n1 ZINC000004437674 HF Annotated Anodyne Cc1cc(=O)n2nc(N3CCC(C(=O)N[C@H]4CCCc5ccccc54)CC3)sc2n1 ZINC000004437676 HF Annotated Anodyne COc1ccc(S(=O)(=O)NCCNc2nc3ccc(OC)cc3cc2C#N)cc1 ZINC000040011629 HF Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H]1n1cc(CO[C@@H]2CCCCO2)nn1 ZINC000040380666 HF Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]1n1cc(CO[C@@H]2CCCCO2)nn1 ZINC000040380667 HF Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H]1n1cc(CO[C@H]2CCCCO2)nn1 ZINC000040380668 HF Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]1n1cc(CO[C@H]2CCCCO2)nn1 ZINC000040380669 HF Annotated Mild C#C/C=C\CCCC/C=C\C#CC#CCCCC#CC#C[C@@H](O)COS(=O)(=O)O ZINC000040391560 HF Annotated Mild CCN(CC)C(=O)c1c(NCC(OC)OC)c2cccnc2n2c(C(C)C)nnc12 ZINC000040391647 HF Annotated Anodyne CO[C@@H]1OC[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C ZINC000040391920 HF Annotated Anodyne COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1C[C@H](OC(C)=O)[C@@]1(O)C(C)(C)CCC(=O)[C@]21C ZINC000040392135 HF Annotated Anodyne in-vitro CC(=O)O[C@H]1CC(C)(C)[C@]2(O)CCc3c(cc(O)c(C=O)c3C)[C@@]2(C)[C@H]1OC(C)=O ZINC000040392768 HF Annotated Anodyne COc1cc(O)cc([C@@H]2OC[C@H]3[C@H](c4cc(O)c(OC)c(OC)c4)OC(=O)[C@H]32)c1 ZINC000040393518 HF Annotated Anodyne in-vitro CCC(=O)N1c2c(ccc(OC)c2O)[C@]23CCN4CCC[C@@]5(CC[C@@H]12)CC(=O)O[C@@]453 ZINC000040393712 HF Annotated Anodyne Cc1cc(-c2nnc(-c3ccccc3)o2)n(-c2cccc(CNC(=O)[C@H](C)N)c2)n1 ZINC000040395355 HF Annotated Anodyne O=C(/N=c1\scc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1cc(=O)[nH]c(=O)[nH]1 ZINC000040402978 HF Annotated Anodyne CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCN3C)cc1 ZINC000040403408 HF Annotated Anodyne c1csc(CCNc2ncc(-c3nnn[nH]3)c(Nc3ccc4c(c3)OCCO4)n2)c1 ZINC000040405449 HF Annotated Anodyne O=C(O)C1=NO[C@H](c2ccc(N3CCN(C(=O)NCCc4ccccc4)CC3)cc2)C1 ZINC000040405455 HF Annotated Anodyne O=C(O)C1=NO[C@@H](c2ccc(N3CCN(C(=O)NCCc4ccccc4)CC3)cc2)C1 ZINC000040405458 HF Annotated Anodyne C=C1CC[C@H](C(C)C)[C@@H]2[C@H]1[C@@H]1O[C@H]2[C@](C)(OC(=O)CCC)CC[C@H](O)[C@@](C)(O)[C@H]1O ZINC000040406836 HF Annotated Mild C[C@@H](C(=O)N1CCCC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccccn3)nn2)O1 ZINC000040412910 HF Annotated Mild N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2cnc3ncccn23)CC1 ZINC000040414305 HF Annotated Anodyne Cc1ccccc1S(=O)(=O)N[C@@H](C1=CC(=O)c2c(O)ccc(O)c2C1=O)C(C)C ZINC000040421059 HF Annotated Mild Cc1ccccc1S(=O)(=O)N[C@H](C1=CC(=O)c2c(O)ccc(O)c2C1=O)C(C)C ZINC000040421061 HF Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](OC(C)=O)[C@@]1(C)CC[C@H](O1)[C@](C)(O)CCC2=O ZINC000040421351 HF Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)[C@@]1(C)CC[C@H](OC(C)=O)[C@@](C)(CCC2=O)O1 ZINC000040422427 HF Annotated Mild CC(=O)N1C[C@@H](OCc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc21 ZINC000040422768 HF Annotated Bother COC(=O)c1sccc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000040423031 HF Annotated Anodyne COC(=O)c1sccc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000040423032 HF Annotated Anodyne COC(=O)c1sccc1S(=O)(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000040423033 HF Annotated Anodyne COc1ccc(N2c3cc(Cl)ccc3S(=O)(=O)c3c(N)nc(N)nc32)cc1 ZINC000040423086 HF Annotated Anodyne Cc1c(-n2cnc3[nH]nc(Nc4ccccc4)c3c2=O)c(=O)n(-c2ccccc2)n1C ZINC000040423171 HF Annotated Anodyne COc1cccc(N2c3cc(Cl)ccc3S(=O)(=O)c3c(N)nc(N)nc32)c1 ZINC000040423222 HF Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C[C@H]([C@](C)(O)CO)O2 ZINC000040423513 HF Annotated Bother CCc1ccc(N2C(=O)[C@@]3(CSC4=C3C(=O)c3ncccc3C4=O)N=C2O)cc1 ZINC000040423850 HF Annotated Mild CCc1ccc(N2C(=O)[C@]3(CSC4=C3C(=O)c3ncccc3C4=O)N=C2O)cc1 ZINC000040423851 HF Annotated Mild CC1=NN(c2ccc(OCCCOc3no[n+]([O-])c3-c3ccccc3)cc2)C(=O)C1 ZINC000040430060 HF Annotated Anodyne Nc1ncnc2nc3nc(S)[nH]c(=O)c3c(-c3ccc(N4CCCCC4)cc3)c12 ZINC000040430388 HF Annotated Bother COc1cccc(OC)c1OC(=O)[C@@H](CC(=O)N1CCCCC1)N1CCCCC1 ZINC000040465131 HF Annotated Anodyne COc1cccc(OC)c1OC(=O)[C@H](CC(=O)N1CCCCC1)N1CCCCC1 ZINC000040465132 HF Annotated Anodyne COc1cccc(OC)c1OC(=O)[C@@H](CC(=O)N1CCCC1)N1CCCCCC1 ZINC000040465222 HF Annotated Anodyne COc1cccc(OC)c1OC(=O)[C@H](CC(=O)N1CCCC1)N1CCCCCC1 ZINC000040465223 HF Annotated Anodyne CN(C)CCCNc1ccc(NCCCN(C)C)c2c1C(=O)c1cccnc1C2=O ZINC000040465760 HF Annotated Clean COc1cc(OC)c(N/N=C2/CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)cc1Cl ZINC000040466575 HF Annotated Mild COc1cc(OC)c(N/N=C2\CC[C@H](C)n3c2ncc(C(=O)O)c3=O)cc1Cl ZINC000040466578 HF Annotated Mild CCN[C@H](C)[C@@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1 ZINC000040466697 HF Annotated Anodyne CCN[C@@H](C)[C@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1 ZINC000040466699 HF Annotated Anodyne CCN[C@H](C)[C@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1 ZINC000040466701 HF Annotated Anodyne CN1CN(C)c2nc3n(Cc4ccccc4)c(O)c([C@H]4C=CCCC4)c(=O)n3c2C1=O ZINC000040466749 HF Annotated Anodyne CN1CN(C)c2nc3n(Cc4ccccc4)c(O)c([C@@H]4C=CCCC4)c(=O)n3c2C1=O ZINC000040466750 HF Annotated Anodyne CC1(C)C=C(C(=O)NCCNC(=O)COc2ccc(Cl)cc2Cl)C(C)(C)N1 ZINC000040466869 HF Annotated Anodyne C=CCc1cc(C)ccc1OCC(=O)NCCCNC(=O)C1=CC(C)(C)NC1(C)C ZINC000040466891 HF Annotated Mild NC[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1c1ccccc1 ZINC000040492217 HF Annotated Anodyne NS(=O)(=O)c1cc(S(=O)(=O)O)c(Oc2ccccc2)cc1NCc1ccco1 ZINC000040505104 HF Annotated Anodyne C[S@@](=O)c1ccc(-c2nc3n(c2-c2ccc([S@](C)=O)cc2)CC[S@]3=O)cc1 ZINC000040505739 HF Annotated Anodyne C[S@](=O)c1ccc(-c2nc3n(c2-c2ccc([S@](C)=O)cc2)CC[S@]3=O)cc1 ZINC000040505743 HF Annotated Anodyne C[S@@](=O)c1ccc(-c2nc3n(c2-c2ccc([S@](C)=O)cc2)CC[S@@]3=O)cc1 ZINC000040505746 HF Annotated Anodyne C[S@](=O)c1ccc(-c2nc3n(c2-c2ccc([S@](C)=O)cc2)CC[S@@]3=O)cc1 ZINC000040505749 HF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(/C=C(\C#N)n3nc4ccccc4n3)c(F)c2)C(=O)O1 ZINC000040527402 HF Annotated Reactive O=C(NC[C@H]1CN(c2ccc(N3Cc4cccnc4C3)c(F)c2)C(=O)O1)C1CCC1 ZINC000040567265 HF Annotated Anodyne O=C1O[C@@H](Cn2ccccc2=O)CN1c1ccc(N2Cc3cccnc3C2)c(F)c1 ZINC000040567908 HF Annotated Anodyne CCOC(=O)NC[C@H]1CN(c2ccc(N3Cc4cccnc4C3)c(F)c2)C(=O)O1 ZINC000040568073 HF Annotated Anodyne COc1ccc(OC)c([C@@H]2OC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)c1 ZINC000040568126 HF Annotated Anodyne COc1ccc(OC)c([C@H]2OC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)c1 ZINC000040568128 HF Annotated Anodyne O=C1O[C@@H](COc2cnccn2)CN1c1ccc(N2Cc3cccnc3C2)c(F)c1 ZINC000040568312 HF Annotated Anodyne COC[C@H]1OC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000040575623 HF Annotated Mild O=C(NO)c1ccc(-c2ccn(CCNCc3ccc(-n4ccnc4)cc3)n2)s1 ZINC000040575639 HF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@@H]2CC(=O)C([C@@H](C)C(=O)OC)=C[C@]2(C)[C@@H]1C(=O)OC ZINC000040576423 HF Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2CC(=O)C([C@@H](C)C(=O)OC)=C[C@]2(C)[C@@H]1C(=O)OC ZINC000040576425 HF Annotated Mild C/C=C(/C)C(=O)O[C@@H]1CC[C@@H]2CC(=O)C([C@@H](C)C(=O)OC)=C[C@]2(C)[C@H]1C(=O)OC ZINC000040576427 HF Annotated Mild COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C[C@H](O)C2=O)cc1[N+](=O)[O-] ZINC000040584742 HF Annotated Mild Cc1cc(Cl)ccc1OCC(=O)NCCCNC(=O)C1=CC(C)(C)NC1(C)C ZINC000040639302 HF Annotated Anodyne CC1(C)C=C(C(=O)NCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C(C)(C)N1 ZINC000040639851 HF Annotated Anodyne NS(=O)(=O)c1cc(S(=O)(=O)O)c(NCc2ccco2)cc1Nc1ccccc1 ZINC000040640418 HF Annotated Anodyne COc1ccc(OC)c(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@@H]2O)c1 ZINC000040753631 HF Annotated Mild COc1ccc(OC)c(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@H]2O)c1 ZINC000040753633 HF Annotated Mild CCOc1nc2ccccc2nc1C(=O)Nc1ccc(O)c(CN2CCOCC2)c1 ZINC000040762387 HF Annotated Clean CCN1CCN(Cc2cc(NC(=O)c3nc4ccccc4nc3OC)ccc2O)CC1 ZINC000040762514 HF Annotated Clean CN(c1cccc(C(=O)O)c1)c1cc(O/N=[N+](/[O-])N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000040762633 HF Annotated Clean COC[C@@H]1OC(O)=C2C1=NC1=C(C(=O)COC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000040764179 HF Annotated Mild O=C1C[C@H](Cc2ccccc2)C(=O)N1OS(=O)(=O)c1ccc(Br)cc1 ZINC000040785969 HF Annotated Mild Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cncc(Br)c1 ZINC000040791267 HF Annotated Reactive Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cncc(Br)c1 ZINC000040791268 HF Annotated Reactive CO[C@H]1O[C@H](OC)[C@]2(O)[C@]1(O)CC[C@@H]1[C@@]3(C)CCC[C@](C)(C(=O)O)[C@@H]3CC[C@]12C ZINC000040846307 HF Annotated Anodyne CO[C@H]1O[C@@H](OC)[C@@]2(O)CC[C@@H]3[C@@]4(C)CCC[C@](C)(C(=O)O)[C@@H]4CC[C@@]3(C)[C@]12O ZINC000040846309 HF Annotated Anodyne CC(C)OCCCNc1cc(OCCN(C)C)nc(Oc2ccc(CCN)cc2)n1 ZINC000040848530 HF Annotated Anodyne CN(C)c1ccc(NC(=O)Nc2ccc(Cn3cc4c(=O)[nH]cnc4n3)cc2)cc1 ZINC000040861201 HF Annotated Anodyne Nn1c(S[C@H](C(=O)O)c2ccccc2)nc2ccc(Br)cc2c1=O ZINC000040863020 HF Annotated Anodyne Nn1c(S[C@@H](C(=O)O)c2ccccc2)nc2ccc(Br)cc2c1=O ZINC000040863022 HF Annotated Anodyne COc1ccc(N(Cc2nc(-c3ccccc3)no2)S(=O)(=O)c2ccccn2)cn1 ZINC000040865875 HF Annotated Anodyne C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@@H](C)O1 ZINC000040867153 HF Annotated Bother C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@H](C)O1 ZINC000040867155 HF Annotated Bother C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@@H](C)O1 ZINC000040867157 HF Annotated Bother COC1=CC(=O)O[C@H](/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)[C@@H]1C ZINC000040874073 HF Annotated Anodyne COC1=CC(=O)O[C@@H](/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)[C@@H]1C ZINC000040874075 HF Annotated Anodyne COC1=CC(=O)O[C@H](/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)[C@H]1C ZINC000040874077 HF Annotated Anodyne COC1=CC(=O)O[C@@H](/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)[C@H]1C ZINC000040874079 HF Annotated Anodyne CCn1c(C(=O)NCCCc2c[nH]c(N)n2)cc(Br)c1Br ZINC000040875217 HF Annotated Anodyne CCCO/N=C1\CN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC12CC2 ZINC000040879345 HF Annotated Mild CNCCNc1c2c(c(NCCNC)c3sccc13)C(=O)c1ccccc1C2=O ZINC000040892485 HF Annotated Clean Nc1nc(C(F)(F)F)ccc1-c1cc(Oc2cccc3[nH]c(=O)c(N)nc23)ncn1 ZINC000040892731 HF Annotated Anodyne COc1cccc(N2c3ccc(Cl)cc3S(=O)(=O)c3c(N)nc(N)nc32)c1 ZINC000040897361 HF Annotated Anodyne Cc1nc(-c2ccccc2)c2onc(-c3nnc(C(=O)NCc4cccnc4)o3)c2n1 ZINC000040899957 HF Annotated Anodyne O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1ccccn1 ZINC000040900279 HF Annotated Reactive COc1ccc(N2c3ccc(Cl)cc3S(=O)(=O)c3c(N)nc(N)nc32)cc1 ZINC000040901400 HF Annotated Anodyne CCCCO[C@@H](COCc1c(C)noc1C)CO[P@@](=O)(O)OCC[N+](C)(C)C ZINC000040915883 HF Annotated Bother CCCCO[C@H](COCc1c(C)noc1C)CO[P@@](=O)(O)OCC[N+](C)(C)C ZINC000040915885 HF Annotated Bother COc1ccc2nc(Nc3nc4cc(OC)c(OC)c(OC)c4c(=O)[nH]3)nc(C)c2c1 ZINC000040916232 HF Annotated Anodyne CC(=O)c1cc(OCCc2ccc(F)cc2)c(=O)n2c1CC[C@H]2C(=O)N1CCCC1 ZINC000040917224 HF Annotated Anodyne CO[C@@H]1CC[C@]2(C)OC(=O)[C@H](C)[C@@H]3CC[C@@](C)(OC(C)=O)[C@H]4[C@H](C[C@@]1(C)O)O[C@@H]2[C@@H]34 ZINC000040917656 HF Annotated Anodyne CO[C@@H]1CC[C@]2(C)OC(=O)[C@H](C)[C@H]3CC[C@@](C)(OC(C)=O)[C@H]4[C@H](C[C@@]1(C)O)O[C@@H]2[C@@H]34 ZINC000040917657 HF Annotated Anodyne CO[C@@H]1CC[C@]2(C)OC(=O)[C@H](C)[C@H]3CC[C@@](C)(OC(C)=O)[C@H]4[C@H](C[C@@]1(C)O)O[C@H]2[C@@H]34 ZINC000040917658 HF Annotated Anodyne COc1ccc(COc2cc(C(C)=O)c3n(c2=O)[C@H](C(=O)N2CCCC2)CC3)cc1 ZINC000040917862 HF Annotated Anodyne CCC(=O)OCC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N(CC)CC)O2)nn1 ZINC000040933683 HF Annotated Mild CC(=O)c1cc(OCc2ccc(C#N)cc2)c(=O)n2c1CC[C@H]2C(=O)N1CCCC1 ZINC000040934075 HF Annotated Mild C=C1CC[C@H](OC(C)=O)[C@](C)(O)CC[C@@H](C(=C)C(=O)O)C[C@@H](O)[C@@]2(C)CC[C@@H]1O2 ZINC000040934347 HF Annotated Mild CN(C)Cc1cc(S(N)(=O)=O)ccc1[S@@](=O)c1ccc(C(F)(F)F)cc1 ZINC000040935891 HF Annotated Anodyne CN(C)Cc1cc(S(N)(=O)=O)ccc1[S@](=O)c1ccc(C(F)(F)F)cc1 ZINC000040935893 HF Annotated Anodyne C=C1CC[C@@H]2O[C@@]2(C)CC[C@H](/C(=C\C[C@H](O)C(C)(C)O)COC(C)=O)[C@H]1C(=O)OC ZINC000040936140 HF Annotated Mild C=C1CC[C@@H]2O[C@@]2(C)CC[C@H](/C(=C\C[C@@H](O)C(C)(C)O)COC(C)=O)[C@H]1C(=O)OC ZINC000040936141 HF Annotated Mild Cc1ccc(S(=O)(=O)N[C@@H](C2=CC(=O)c3c(O)ccc(O)c3C2=O)C(C)C)cc1 ZINC000040936150 HF Annotated Mild Cc1ccc(S(=O)(=O)N[C@H](C2=CC(=O)c3c(O)ccc(O)c3C2=O)C(C)C)cc1 ZINC000040936152 HF Annotated Mild Oc1ncnc2nc3nc(=S)[nH]c(O)c3c(-c3ccc(N4CCOCC4)cc3)c12 ZINC000040938661 HF Annotated Bother CNCCC(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1 ZINC000040939061 HF Annotated Anodyne O=c1n(-c2ccccc2)nc2c(NS(=O)(=O)c3ccccc3)nc3ccccc3n12 ZINC000040943118 HF Annotated Anodyne O=C(NC(=O)c1ccccc1)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 ZINC000040943225 HF Annotated Anodyne CCn1cc(C(=O)NC)c(=O)c2cc(F)c3[nH]c(-c4ccc([N+](=O)[O-])cc4)nc3c21 ZINC000040951807 HF Annotated Bother CNCc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O ZINC000040955555 HF Annotated Anodyne NCCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000040973414 HF Annotated Bother CO[C@@H]1CC[C@]2(C)OC[C@H](C)[C@H]3C[C@@H](C)[C@@H](OC(C)=O)[C@@H]4[C@H]3[C@@H]2O[C@@H]4C[C@@]1(C)O ZINC000042889591 HF Annotated Anodyne CO[C@@H]1CC[C@]2(C)OC[C@H](C)[C@@H]3C[C@@H](C)[C@@H](OC(C)=O)[C@@H]4[C@H]3[C@@H]2O[C@@H]4C[C@@]1(C)O ZINC000042889595 HF Annotated Anodyne CO[C@@H]1CC[C@]2(C)OC[C@H](C)[C@H]3C[C@@H](C)[C@@H](OC(C)=O)[C@H]4[C@H](C[C@@]1(C)O)O[C@H]2[C@@H]34 ZINC000042889599 HF Annotated Anodyne CO[C@@H]1CC[C@]2(C)OC[C@H](C)[C@@H]3C[C@@H](C)[C@@H](OC(C)=O)[C@H]4[C@H](C[C@@]1(C)O)O[C@H]2[C@@H]34 ZINC000042889603 HF Annotated Anodyne C[C@H](O)C[C@@H]1C[C@H](O)/C=C/C=C/C=C/C[C@H](O)C[C@H](O)C/C=C/C=C/C=C/C(=O)O1 ZINC000042891369 HF Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(OCc3cccs3)ccc21 ZINC000042919949 HF Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(OCc3ccccc3)ccc21 ZINC000042922061 HF Annotated Anodyne N#Cc1cnc(NC(=O)Nc2cc(Br)ccc2N2CCC[C@H](O)C2)cn1 ZINC000042924001 HF Annotated Mild N#Cc1cnc(NC(=O)Nc2cc(Br)ccc2N2CCC[C@@H](O)C2)cn1 ZINC000042924004 HF Annotated Mild [O-][n+]1nc2c(I)cnn2c2cc(CCc3ccccc3)ccc21 ZINC000042965000 HF Annotated Anodyne CCSC(=O)N1CCCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000042965310 HF Annotated Clean N#CCCCn1c(CN2C(=O)/C(=N/OCCF)c3cccnc32)nc2ccccc21 ZINC000042989646 HF Annotated Mild CC(C)N1CCN(CCN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000043010255 HF Annotated Anodyne Cc1cccc2nc(-c3cccnc3N3CCN(C4CCN(C)CC4)CC3)oc(=O)c12 ZINC000043010840 HF Annotated Anodyne CCOC(=O)[C@@H](C)/N=C1\CCN(C(=O)[C@@H](C)CS)[C@@H]1Cc1ccc(OC)cc1 ZINC000043011399 HF Annotated Mild CCOC(=O)[C@H](C)/N=C1\CCN(C(=O)[C@@H](C)CS)[C@@H]1Cc1ccc(OC)cc1 ZINC000043011402 HF Annotated Mild CCOC(=O)[C@H](C)/N=C1\CCN(C(=O)[C@@H](C)CS)[C@H]1Cc1ccc(OC)cc1 ZINC000043011408 HF Annotated Mild COc1ccccc1COC(=O)c1cnn2c1n[n+]([O-])c1ccc(C(F)(F)F)cc12 ZINC000043013883 HF Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(OC3CCCCC3)ccc21 ZINC000043018967 HF Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(Oc3ccccc3)ccc21 ZINC000043022690 HF Annotated Anodyne CCc1cc(OC)cc2nc(-c3cccnc3N3CCN(CCOC)CC3)oc(=O)c12 ZINC000043023540 HF Annotated Anodyne CCn1cc(-c2nc3ccc(N)cc3[nH]2)c(=O)c2cc(F)c(N3CCNCC3)cc21 ZINC000043025428 HF Annotated Anodyne CC(C)Cn1c(=O)ccc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21 ZINC000043060039 HF Annotated Anodyne CC[N+](C)(CC)Cc1cc(/N=c2\ccn(C)cc2S(=O)(=O)N(C)C)ccc1OC ZINC000043063870 HF Annotated Bother CC1(C)CC(C(=O)ONP(=O)(N2CC2(C)C)N2CC2(C)C)CC(C)(C)N1O ZINC000043065305 HF Annotated Reactive CCCc1nn(CN2CCN(C)CC2)c(=S)n1/N=C/c1c[nH]nc1-c1ccccc1 ZINC000043067505 HF Annotated Mild C[C@@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(-c2cnco2)s1 ZINC000043072990 HF Annotated Anodyne Cc1ccc(-c2n[nH]cc2/C=N/n2c(C)nn(CN3CCN(C)CC3)c2=S)cc1 ZINC000043073176 HF Annotated Mild CCn1c(S)n[n+]2c(N)c(C#N)c(-c3ccc(N4CCCCC4)cc3)c(C#N)c12 ZINC000043073336 HF Annotated Mild C[N+]1(CCNC(=O)c2cnc3c4c(cccc24)-c2ccccc2C3=O)CCOCC1 ZINC000043074884 HF Annotated Bother CC(=O)Oc1ccccc1C(=O)OCOC(=O)c1ccc(CCCO[N+](=O)[O-])cc1 ZINC000043076489 HF Annotated Anodyne COc1cc2c(c3c1c(=O)c1ccccc1n3C)[C@@H](OC=O)[C@@H](OC=O)C(C)(C)O2 ZINC000043078684 HF Annotated Bother CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccccc2)[C@@H]1c1ccc(O)cc1 ZINC000043120830 HF Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccccc2)[C@@H]1c1ccc(O)cc1 ZINC000043120832 HF Annotated Anodyne O=S(=O)(Cc1n[nH]c(=S)o1)c1c[nH]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000043122189 HF Annotated Anodyne CCc1cc(OC)cc2nc(-c3cccnc3N3CCN(CCC#N)CC3)oc(=O)c12 ZINC000043122926 HF Annotated Mild O=C(c1cccc(-n2cnnn2)c1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O ZINC000043196061 HF Annotated Clean O=C(c1cccc(-n2cnnn2)c1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O ZINC000043196062 HF Annotated Clean CC1=C[C@@H]2/C=C(/C)CC[C@H](O)[C@H](O)/C=C/C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@H]3[C@H]1C ZINC000043199419 HF Annotated Mild O=C(Nc1cnc2[nH]ccc2c1)c1c(F)ccc(NS(=O)(=O)N2CCCC2)c1F ZINC000043207320 HF Annotated Anodyne CCOC(=O)[C@@H]1c2ccccc2CCN1Cc1cc(C(=O)O)c(=O)n2ccccc12 ZINC000043207350 HF Annotated Anodyne CCOC(=O)[C@H]1c2ccccc2CCN1Cc1cc(C(=O)O)c(=O)n2ccccc12 ZINC000043207351 HF Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@]12CO2 ZINC000043510704 HF Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@]12CO2 ZINC000043510708 HF Annotated Anodyne 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](O)[C@](C)(O)C[C@H]2[C@@H]2O[C@@]21C ZINC000043562070 HF Annotated Anodyne COc1nnnc2c1sc1nc(OS(=O)(=O)C(F)(F)F)c3c(c12)CCCC3 ZINC000043606247 HF Annotated Unstable CC1(C)CC(NC(=O)NP(=O)(N2CC2(C)C)N2CC2(C)C)CC(C)(C)N1O ZINC000043799554 HF Annotated Reactive CN(C)C(=N)N/N=C/c1c2ccccc2c(/C=N/N=C(\N)N(C)C)c2ccccc12 ZINC000043989817 HF Annotated Mild CC(C)S(=O)(=O)/N=C(\O)[C@H](C)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 ZINC000044069977 HF Annotated Unstable CC1=CC(=O)[C@H]2C(C)(C)[C@@H](Cl)[C@H](Cl)C[C@]2(C)[C@H]1C[C@H](O)[C@H]1CC(=O)NC1=O ZINC000044352453 HF Annotated Reactive C=C1[C@@H](O)C[C@H]2C(C)(C)[C@@H](Cl)[C@H](Cl)C[C@]2(C)[C@H]1C[C@H](O)[C@H]1CC(=O)NC1=O ZINC000044359527 HF Annotated Reactive CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6CC[C@@](OC(C)=O)([C@H]5C(=O)O6)[C@@H](C[C@@H]32)[C@@H]14 ZINC000044403961 HF Annotated Anodyne CC(=O)O[C@H]1[C@H](O[C@]2(C)CC[C@@H]3[C@H]([C@H]4[C@@H]2CC[C@H]4C)C3(C)C)O[C@H](C)[C@H](O)[C@@H]1O ZINC000044404123 HF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](O)c2ccccc2)N(C(=O)c2ccco2)C1 ZINC000004545991 HF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NC[C@H](O)c2ccccc2)N(C(=O)c2ccco2)C1 ZINC000004545992 HF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@H](O)c2ccccc2)N(C(=O)c2ccco2)C1 ZINC000004545993 HF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NC[C@H](O)c2ccccc2)N(C(=O)c2ccco2)C1 ZINC000004545994 HF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCO)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000004546962 HF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCC#N)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000004547021 HF Annotated Mild CCCCNC(=O)[C@@H]1C[C@H](OCCCC)CN1C(=O)CP(=O)(OCC)OCC ZINC000004547253 HF Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCCCC)CN1C(=O)CP(=O)(OCC)OCC ZINC000004547257 HF Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCCCC)CN1C(=O)CP(=O)(OCC)OCC ZINC000004547259 HF Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCCCC)CN1C(=O)CP(=O)(OCC)OCC ZINC000004547262 HF Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000004547827 HF Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000004547830 HF Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000004547834 HF Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000004547838 HF Annotated Anodyne CC[C@@H](C)/N=C(\O)Cn1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O ZINC000004563275 HF Annotated Mild CC[C@H](C)/N=C(\O)Cn1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O ZINC000004563276 HF Annotated Mild O=C(NCc1ccccc1)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000004576217 HF Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCCc3ccccc3)[C@@H]4C2=O)cc1 ZINC000004576226 HF Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccc(F)cc3)[C@@H]4C2=O)cc1 ZINC000004576227 HF Annotated Anodyne Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)NCc3ccc(F)cc3)[C@@H]4C2=O)cc1 ZINC000004576228 HF Annotated Anodyne CC[C@@H]1CCCCN1CCCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21 ZINC000004584973 HF Annotated Anodyne CC[C@H]1CCCCN1CCCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21 ZINC000004584988 HF Annotated Anodyne COCCNC(=O)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000004586060 HF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCCSC)N(C(=O)Cc2ccccc2OC)C1 ZINC000004612167 HF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCSC)N(C(=O)Cc2ccccc2OC)C1 ZINC000004612169 HF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)Cc2ccccc2OC)C1 ZINC000004612170 HF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)Cc2ccccc2OC)C1 ZINC000004612171 HF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NC3CCCCC3)c(=O)c2c1 ZINC000004654444 HF Annotated Anodyne COC(=O)c1c(O)cc2cc3c(c(O)c2c1C)C(=O)c1c(O)cc(OC)cc1C3=O ZINC000004654709 HF Annotated Clean in-vitro C=CCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3cccc(C)c3)cc2c1=O ZINC000004688047 HF Annotated Anodyne CC(=O)N(C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O)c1ccc(F)c(F)c1 ZINC000004725348 HF Annotated Mild O=C(NCCc1ccccc1)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 ZINC000004790375 HF Annotated Anodyne COCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccccc1F ZINC000004799117 HF Annotated Anodyne COCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccccc1F ZINC000004799121 HF Annotated Anodyne COCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccccc1F ZINC000004799124 HF Annotated Anodyne COCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccccc1F ZINC000004799128 HF Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)N3CCOCC3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004800104 HF Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)N3CCOCC3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004800106 HF Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)N3CCOCC3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004800107 HF Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)N3CCOCC3)CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004800109 HF Annotated Anodyne Cc1ccc(CN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c2cccs2)cc1 ZINC000004861375 HF Annotated Anodyne COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000004870075 HF Annotated Anodyne CCOc1ccc(-n2c(=O)c3sccc3n(CC(=O)NC3CCCC3)c2=O)cc1 ZINC000004882119 HF Annotated Anodyne Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCc3ccco3)c2=O)cc1F ZINC000004882281 HF Annotated Anodyne CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccccc1C ZINC000004884821 HF Annotated Anodyne CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccccc1C ZINC000004884828 HF Annotated Anodyne COCCN(C(=O)c1csnn1)[C@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000004890327 HF Annotated Anodyne COCCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCCC1)c1cccs1 ZINC000004890328 HF Annotated Anodyne C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC1CCCC1)c1ccc(OC)cc1 ZINC000004890425 HF Annotated Mild C=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCC1)c1ccc(OC)cc1 ZINC000004890428 HF Annotated Mild Cc1ccc(Cn2nnnc2CN2CCC(n3nnc4cc(C)ccc43)CC2)cc1 ZINC000004895427 HF Annotated Anodyne O=C(NCc1cccs1)c1nc(O)c2nnn(Cc3ccccc3Cl)c2n1 ZINC000004898739 HF Annotated Anodyne Cc1ccc(C)c(NC(=O)Cn2c(=O)n(C[C@@H]3CCCO3)c(=O)c3ccccc32)c1 ZINC000004906956 HF Annotated Anodyne Cc1ccc(C)c(NC(=O)Cn2c(=O)n(C[C@H]3CCCO3)c(=O)c3ccccc32)c1 ZINC000004906966 HF Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(C(C)=O)c1 ZINC000004909098 HF Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cccc(C(C)=O)c1 ZINC000004909104 HF Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000004915324 HF Annotated Anodyne in-vitro CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NCc4ccccn4)c3C2=O)CC1 ZINC000004920229 HF Annotated Anodyne CNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2c1=O ZINC000004928629 HF Annotated Anodyne O=c1c(Cl)c(N2CCN(c3ccccn3)CC2)cnn1-c1nc2ccccc2o1 ZINC000004928767 HF Annotated Anodyne O/C(=N\CCc1ccsc1)C1CCN(c2ccc(N3CCOCC3)nn2)CC1 ZINC000004937943 HF Annotated Mild O=C(C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1)N1CCCCCC1 ZINC000004956364 HF Annotated Anodyne CCOC(=O)CC1(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)CCCCC1 ZINC000004968997 HF Annotated Anodyne CCOC(=O)CC1(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)CCCCC1 ZINC000004969192 HF Annotated Anodyne O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1)NC1CCCC1 ZINC000004969359 HF Annotated Anodyne CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3cc(F)ccc3F)ccc21 ZINC000004971596 HF Annotated Anodyne CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCCC3=CCCCC3)ccc21 ZINC000004971599 HF Annotated Anodyne C=CCN(C(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)c1ccccc1 ZINC000004971600 HF Annotated Anodyne O=C(NCCc1cccc(F)c1)c1ccc(N2CCN(c3ccncc3)CC2)cn1 ZINC000045186813 HF Annotated Anodyne NC(N)=NC(=O)Nc1cc(Br)c(Br)c(Br)c1 ZINC000045187222 HF Annotated Mild N=C(Nc1ccc(-c2csc(N=C(N)N)n2)cc1)N1CCC[C@H]1CN1CCCC1 ZINC000045190805 HF Annotated Mild CC(C)CC(=O)N1CCNC[C@@H]1C(=O)NCCSCc1c(F)cccc1Cl ZINC000045195546 HF Annotated Anodyne COc1cc(NC2=NS(=O)(=O)c3cc(Cl)ccc3N2C)cc(OC)c1OC ZINC000045226834 HF Annotated Anodyne CN1CCN(Cn2nc(-c3ccncc3)n(/N=C/c3ccc(F)cc3)c2=S)CC1 ZINC000045245655 HF Annotated Mild COc1cc(OC)cc([C@@H]2OC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)c1 ZINC000045245677 HF Annotated Anodyne COc1cc(OC)cc([C@H]2OC(c3cc(OC)c(OC)c(OC)c3)=NN2C(C)=O)c1 ZINC000045245678 HF Annotated Anodyne CCc1ccc(Cc2c(Cl)ccc3c2CO[C@]32O[C@H](CF)[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000045245759 HF Annotated Anodyne CCOc1cnc2c(C(=O)N(CC)CC)c(N3CCN(C)CC3)c3cccnc3n12 ZINC000045245891 HF Annotated Anodyne COc1c(-c2cc3n(c2)C[C@H](C)NC3)c(F)cc2c1N(C1CC1)C[C@H](C(=O)O)C2=O ZINC000045245903 HF Annotated Anodyne COc1c(-c2cc3n(c2)C[C@H](C)NC3)c(F)cc2c1N(C1CC1)C[C@@H](C(=O)O)C2=O ZINC000045245904 HF Annotated Anodyne COc1cc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc(OC)c1OC ZINC000045253034 HF Annotated Bother COc1cc(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])cc3)O2)cc(OC)c1OC ZINC000045253036 HF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnn(-c3ccc(C(F)(F)F)cc3)c1)C2 ZINC000045253707 HF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccn(-c3ccc(C(F)(F)F)cc3)n1)C2 ZINC000045255901 HF Annotated Bother COn1cc([C@@H]2CCN=C(N)N2)c2cc(Br)c(Br)cc21 ZINC000045256000 HF Annotated Anodyne COn1cc([C@H]2CCN=C(N)N2)c2cc(Br)c(Br)cc21 ZINC000045256002 HF Annotated Anodyne COc1c(-c2cc3n(c2)CCN[C@@H]3C)c(F)cc2c1N(C1CC1)C[C@H](C(=O)O)C2=O ZINC000045258390 HF Annotated Anodyne COc1c(-c2cc3n(c2)CCN[C@@H]3C)c(F)cc2c1N(C1CC1)C[C@@H](C(=O)O)C2=O ZINC000045258394 HF Annotated Anodyne O=C1CN2C(=NN1)C1=C(N=C2c2ccccc2)N(c2ccccc2)C(=O)N2CCC[C@@H]12 ZINC000045258868 HF Annotated Anodyne O=C1CN2C(=NN1)C1=C(N=C2c2ccccc2)N(c2ccccc2)C(=O)N2CCC[C@H]12 ZINC000045258871 HF Annotated Anodyne O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)NC2=C1[C@@H]1CCCN1C(=O)N2c1ccccc1 ZINC000045260560 HF Annotated Bother O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)NC2=C1[C@H]1CCCN1C(=O)N2c1ccccc1 ZINC000045260563 HF Annotated Bother O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2)NC2=C1[C@@H]1CCCN1C(=O)N2c1ccccc1 ZINC000045260566 HF Annotated Bother O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2)NC2=C1[C@H]1CCCN1C(=O)N2c1ccccc1 ZINC000045260569 HF Annotated Bother CC(C)OC(=O)N1C[C@@H]2c3cn[nH]c3C[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000045285382 HF Annotated Anodyne CC(C)OC(=O)N1C[C@@H]2Cc3[nH]ncc3[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000045285385 HF Annotated Anodyne O=C1N[C@H](c2ccccc2[N+](=O)[O-])NC2=C1[C@@H]1CCCN1C(=O)N2c1ccccc1 ZINC000045285991 HF Annotated Bother O=C1N[C@H](c2ccccc2[N+](=O)[O-])NC2=C1[C@H]1CCCN1C(=O)N2c1ccccc1 ZINC000045285993 HF Annotated Bother O=C1N[C@@H](c2ccccc2[N+](=O)[O-])NC2=C1[C@@H]1CCCN1C(=O)N2c1ccccc1 ZINC000045285995 HF Annotated Bother O=C1N[C@@H](c2ccccc2[N+](=O)[O-])NC2=C1[C@H]1CCCN1C(=O)N2c1ccccc1 ZINC000045285997 HF Annotated Bother C#CCNC(=N)NCCCCCCCCN1CCCCCCCCN/C(N)=N/C1=O ZINC000045288279 HF Annotated Mild O=C(O)[C@H]1CN(C2CC2)c2c(ccc(-c3cc4n(c3)CCNC4)c2OC(F)F)C1=O ZINC000045291508 HF Annotated Anodyne O=C(O)[C@@H]1CN(C2CC2)c2c(ccc(-c3cc4n(c3)CCNC4)c2OC(F)F)C1=O ZINC000045291511 HF Annotated Anodyne CCNC(=O)Nc1cn2c(-c3nccc(C)n3)cc(-c3cnc(N(C)C)nc3)cc2n1 ZINC000045291515 HF Annotated Anodyne Cc1c(C#N)c(/N=C/Nc2ccc(S(N)(=O)=O)cc2)nc2c1C(=O)CC(C)(C)C2 ZINC000045299576 HF Annotated Mild CCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3cnc(N(C)C)nc3)cc2n1 ZINC000045300038 HF Annotated Anodyne O=C(O)CCc1nc2c(C(=O)Nc3ccc(Cl)cc3)n3c(c2c(=O)[nH]1)CCC3 ZINC000045300210 HF Annotated Anodyne C=CCc1cccc(/C=N/N(C)C(=O)CN2CCN(Cc3ccccc3)CC2)c1O ZINC000045300257 HF Annotated Reactive COc1c(-c2cc3n(c2)C[C@@H](C)NC3)c(F)cc2c1N(C1CC1)C[C@H](C(=O)O)C2=O ZINC000045300926 HF Annotated Anodyne COc1c(-c2cc3n(c2)C[C@@H](C)NC3)c(F)cc2c1N(C1CC1)C[C@@H](C(=O)O)C2=O ZINC000045300928 HF Annotated Anodyne COc1cc(OC[C@H](COC(C)=O)OC(C)=O)cc2c1c(=O)c1ccccc1n2C ZINC000045301030 HF Annotated Bother COc1cc(OC[C@@H](COC(C)=O)OC(C)=O)cc2c1c(=O)c1ccccc1n2C ZINC000045301032 HF Annotated Bother O=C(C(=O)N1CCN(C(=O)c2occc2Cl)CC1)c1c[nH]c2cccc(F)c12 ZINC000045318740 HF Annotated Anodyne COc1c(-c2cc3n(c2)CCN[C@H]3C)c(F)cc2c1N(C1CC1)C[C@H](C(=O)O)C2=O ZINC000045319067 HF Annotated Anodyne COc1c(-c2cc3n(c2)CCN[C@H]3C)c(F)cc2c1N(C1CC1)C[C@@H](C(=O)O)C2=O ZINC000045319071 HF Annotated Anodyne CCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3cnc(OC)nc3)cc2n1 ZINC000045319495 HF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cccc(OCCO)c3)cc1)C2 ZINC000045319505 HF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OCCO)cc3)cc1)C2 ZINC000045320523 HF Annotated Bother CCNC(=O)Nc1cn2c(-c3nccc(C(=O)OC)n3)cc(-c3cccnc3)cc2n1 ZINC000045321362 HF Annotated Anodyne CC(C)CNc1c(C(=O)N2CCN(C)CC2)c2nnc(C(C)C)n2c2ncccc12 ZINC000045321625 HF Annotated Anodyne CC[C@H](C)CNC(=O)c1cccc(-c2cccc(CNC[C@@H]3CNCCCO3)c2)n1 ZINC000045323622 HF Annotated Anodyne CC[C@H](C)CNC(=O)c1cccc(-c2cccc(CNC[C@H]3CNCCCO3)c2)n1 ZINC000045323625 HF Annotated Anodyne COc1c(O)cc(NC=O)c(O)c1CC[C@@H]1Cc2c(Cl)c(O)cc(O)c2C1=O ZINC000045334822 HF Annotated Anodyne COc1c(O)cc(NC=O)c(O)c1CC[C@H]1Cc2c(Cl)c(O)cc(O)c2C1=O ZINC000045334824 HF Annotated Anodyne CC[C@H](C)CNC(=O)c1cncc(-c2ccc(CNC[C@@H]3CNCCCO3)cc2)c1 ZINC000045337319 HF Annotated Anodyne CC[C@H](C)CNC(=O)c1cncc(-c2ccc(CNC[C@H]3CNCCCO3)cc2)c1 ZINC000045337321 HF Annotated Anodyne O=C(NCC/N=C/c1cc(I)ccc1O)c1ccccc1O ZINC000045349248 HF Annotated Mild O=C(NCCC/N=C/c1cc(I)ccc1O)c1ccccc1O ZINC000045350507 HF Annotated Mild COc1c(N2CC[C@@H](C3(N)CCC3)C2)ccc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 ZINC000045350519 HF Annotated Anodyne COC(=O)c1ccc(OC)c(OC(=O)c2cc(O)c(OC)cc2CCN(C)C)c1 ZINC000045350621 HF Annotated Anodyne CCN(CC)CC(=O)Nc1c(C)cc([C@@]2(c3ccccc3)NC(=O)NC2=O)cc1C ZINC000045352593 HF Annotated Anodyne CCN(CC)CC(=O)Nc1c(C)cc([C@]2(c3ccccc3)NC(=O)NC2=O)cc1C ZINC000045352597 HF Annotated Anodyne COC(=O)c1cc(OC(=O)c2ccc(OC)c(O)c2)c(OC)cc1CCN(C)C ZINC000045352740 HF Annotated Anodyne CCn1c(=O)c2c(nc(Cc3c(F)cccc3F)n2C)n(Cc2cccs2)c1=O ZINC000045355214 HF Annotated Anodyne COc1ccc([C@@H]2CC(=NN3C(=O)CNC3=S)C[C@H](c3ccc(OC)cc3)N2)cc1 ZINC000045356226 HF Annotated Mild COc1ccc([C@H]2CC(=NN3C(=O)CNC3=S)C[C@H](c3ccc(OC)cc3)N2)cc1 ZINC000045356228 HF Annotated Mild COc1ccc([C@@H]2CC(=NN3C(=O)CNC3=S)C[C@@H](c3ccc(OC)cc3)N2)cc1 ZINC000045356231 HF Annotated Mild CCCCNC(=O)[C@@H](CC(C)C)N1C(=O)c2cc(NC(C)=O)ccc2NC(=O)[C@@H]1C ZINC000045369857 HF Annotated Anodyne CCCCNC(=O)[C@H](CC(C)C)N1C(=O)c2cc(NC(C)=O)ccc2NC(=O)[C@@H]1C ZINC000045369862 HF Annotated Anodyne Cc1ccc2[nH]c(=O)c3cc(C(=O)N4CCN(C5=CC=CCN5)CC4)sc3c2c1 ZINC000045370884 HF Annotated Anodyne COc1c(C)c(OC)c(OC)c2c1C[C@H]1CN(C(=O)OC(C)C)C[C@H]3OC[C@@H]2N13 ZINC000045375035 HF Annotated Anodyne C=CCn1c(=O)c2c(nc(Cc3c(F)cccc3F)n2C)n(Cc2ccco2)c1=O ZINC000045385102 HF Annotated Mild O=C1c2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c2C(=O)N1CCO)OCO4 ZINC000045386394 HF Annotated Anodyne CCN(CC)C(=O)c1cn(C2CCN(C(=O)CCc3cccc(OC)c3)CC2)nn1 ZINC000045387903 HF Annotated Anodyne CSc1sc(NC(=O)NS(=O)(=O)c2cc(C)c(CCO)s2)nc1C ZINC000045391704 HF Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C[C@H]([C@@](C)(O)CO)O2 ZINC000045496039 HF Annotated Bother Clc1cc(N2CCN(CCOc3ccc(-n4cnnc4)cc3)CC2)c(Cl)nn1 ZINC000045496174 HF Annotated Anodyne O=C1C2=C(C(=O)c3ncccc31)[C@]1(CS2)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000045498243 HF Annotated Mild O=C1C2=C(C(=O)c3ncccc31)[C@@]1(CS2)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000045498245 HF Annotated Mild CN[C@H]1CCC[C@H]1CN[C@H](C(=O)N1CCc2cc(OC)c(OC)cc2C1)C(C)(C)C ZINC000045506131 HF Annotated Anodyne CN[C@H]1CCC[C@@H]1CN[C@H](C(=O)N1CCc2cc(OC)c(OC)cc2C1)C(C)(C)C ZINC000045506133 HF Annotated Anodyne CN[C@@H]1CCC[C@H]1CN[C@H](C(=O)N1CCc2cc(OC)c(OC)cc2C1)C(C)(C)C ZINC000045506136 HF Annotated Anodyne CN[C@@H]1CCC[C@@H]1CN[C@H](C(=O)N1CCc2cc(OC)c(OC)cc2C1)C(C)(C)C ZINC000045506139 HF Annotated Anodyne Ic1cccc(-n2cc(-c3cccc(-c4nn[nH]n4)c3)nn2)c1 ZINC000473083029 HF Annotated Anodyne O=C(O)CN(Cc1ccc(C(=O)O)c(C(=O)O)c1)Cc1ccccc1Br ZINC000473083698 HF Annotated Anodyne O=C(O)CN(Cc1cccc(Br)c1)Cc1ccc(C(=O)O)c(C(=O)O)c1 ZINC000473084121 HF Annotated Anodyne C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)COC3=O ZINC000473084137 HF Annotated Anodyne CN(Cc1ccc(Cl)cc1)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000473087263 HF Annotated Anodyne Cc1cs/c(=N\C(=O)c2cnn(C)c2)n1-c1ccc(I)cc1 ZINC000473088686 HF Annotated Anodyne N=c1[nH]c2c(s1)C[C@H](NC(=O)c1cc(Br)c(Br)[nH]1)CC2 ZINC000473088712 HF Annotated Anodyne CN(Cc1ccccc1Cl)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000473089067 HF Annotated Anodyne O=C(O)CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(C(=O)O)c(C(=O)O)c1 ZINC000473089627 HF Annotated Anodyne COc1cc(Cn2c(C)c(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)cc(OC)c1 ZINC000473090851 HF Annotated Clean COC1=C(C(C)C)C(=O)C=C(CO[C@H](Cn2cncn2)c2ccc(F)cc2F)C1=O ZINC000473091468 HF Annotated Mild COC1=C(C(C)C)C(=O)C=C(CO[C@@H](Cn2cncn2)c2ccc(F)cc2F)C1=O ZINC000473091469 HF Annotated Mild CN(Cc1cccc(Cl)c1)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000473093374 HF Annotated Anodyne Cn1cc(-c2n[nH]c3c2CN(c2ccn(Cc4ccccc4)c(=O)c2)CC3)ccc1=O ZINC000473093471 HF Annotated Clean CC(=O)c1ccc(CN(C)C(=O)n2cnc(S(=O)(=O)[C@@H]3C[C@H]4CC[C@@H]3C4)n2)cc1 ZINC000473095743 HF Annotated Anodyne CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3cc(Cl)c[nH]c3=N)CC2)C1=O ZINC000473096863 HF Annotated Anodyne C=CC(=O)Nc1cc(CN=c2[nH]c(Nc3cnn(C)c3)ncc2Cl)ccc1F ZINC000473107657 HF Annotated Anodyne Cn1cc(NC(=O)c2cnn3ccc(=NC4CCCCC4)[nH]c23)c(C(F)(F)F)n1 ZINC000473107751 HF Annotated Anodyne O=C1Nc2ccccc2[C@@]12NC[C@@H](c1ccccc1)[C@@]21N=C(c2ccccc2)OC1=O ZINC000473108044 HF Annotated Anodyne Cc1c(C=C2C(=O)NC(=S)NC2=O)c2ccccc2n1Cc1ccc(C#N)cc1 ZINC000473108237 HF Annotated Mild COc1ccc(Cn2c(C)c(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)c(OC)c1 ZINC000473108528 HF Annotated Clean Cc1ccc(OCC(=O)Nc2ccc(I)cc2C(N)=O)cc1 ZINC000473112062 HF Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)ON3C(=O)C[C@@H]3CBr)cccc12 ZINC000473114718 HF Annotated Reactive CN(C)c1cccc2c(S(=O)(=O)ON3C(=O)C[C@H]3CBr)cccc12 ZINC000473114719 HF Annotated Reactive CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1ccccc1N1CCC(=O)NC1=O ZINC000473114998 HF Annotated Anodyne O=C1CCN(c2ccccc2C(=O)NCCc2ccc(Br)cc2)C(=O)N1 ZINC000473115328 HF Annotated Anodyne COc1ccc(C(=O)c2cc(-c3nc(OC)nc(OC)n3)c3cc(C#N)ccn23)cc1 ZINC000473115409 HF Annotated Mild COc1ccc(C[C@@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)cc1C(=O)O ZINC000473119704 HF Annotated Anodyne COc1ccc(C[C@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)cc1C(=O)O ZINC000473119708 HF Annotated Anodyne COC[C@H](C)Oc1cc(C#Cc2ccccc2OC)cc(C(=O)N=c2ccn(C)[nH]2)c1 ZINC000473119771 HF Annotated Mild CC(C)=C[C@H](C)C[C@H](C)/C=C/C(=O)NC1=C[C@](O)(CCCCC(=O)O)[C@@H](O)CC1=O ZINC000473120141 HF Annotated Mild O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCN1CCCCC1)c1ccccn21 ZINC000473120533 HF Annotated Clean CCN(CC)CCCNC(=O)c1c2c(n3ccccc13)C(=O)c1ncccc1C2=O ZINC000473120596 HF Annotated Clean CN1CCCN(c2nc3ccoc3c(=NC3CCN(Cc4ccccc4)CC3)[nH]2)CC1 ZINC000473121214 HF Annotated Anodyne CCOC(=O)c1ccc(O)c(Nc2ncnc3cc4oc(=O)n(CCOC)c4cc23)c1 ZINC000473121251 HF Annotated Anodyne O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCCN1CCCC1)c1ccccn21 ZINC000473121442 HF Annotated Clean CN1CCCN(c2nc3c(c(=NC4CCN(Cc5ccccc5)CC4)[nH]2)CCC3)CC1 ZINC000473122364 HF Annotated Anodyne Cc1cc2c(-c3cncc(COC(=N)O)c3)cnc(NC3CCNCC3)c2nc1O ZINC000473124025 HF Annotated Anodyne Cn1cc(Br)c(/C=C/C(=O)/C=C/c2nn(C)cc2Br)n1 ZINC000473124135 HF Annotated Mild COC[C@H](C)Oc1cc(C#Cc2cccc(O)c2)cc(C(=O)N=c2ccn(C)[nH]2)c1 ZINC000473124805 HF Annotated Mild CCOC(=O)CCCn1c(=O)oc2cc3nc[nH]c(=NCc4ccccc4)c3cc21 ZINC000473125688 HF Annotated Anodyne COC(=O)c1cc(C[C@@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)ccc1OC ZINC000473128328 HF Annotated Anodyne COC(=O)c1cc(C[C@H]2COc3cc(OC)c(OC)c(OC)c3C2=O)ccc1OC ZINC000473128330 HF Annotated Anodyne CN1CCN(c2nc3ccsc3c(=NC3CCN(Cc4ccccc4)CC3)[nH]2)CC1 ZINC000473128407 HF Annotated Anodyne O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3n[nH]cc3c2)c1F)c1ccccn1 ZINC000473129817 HF Annotated Mild O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3n[nH]cc3c2)c1F)c1cccnc1 ZINC000473132453 HF Annotated Mild COc1ccc2c(c1)NC(=O)CN(C(=O)C[C@H](N)[C@H]1CCc3cc(F)c(F)cc31)C2 ZINC000473134079 HF Annotated Anodyne COc1ccc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)cc1O ZINC000473134995 HF Annotated Anodyne COc1ccc([C@H]2C(C(N)=O)=C(C)N=C3N=C(SCc4ccccc4)NN32)cc1O ZINC000473134997 HF Annotated Anodyne CC1=C(C(N)=O)[C@H](c2ccc(C(=O)O)cc2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473135282 HF Annotated Anodyne CC1=C(C(N)=O)[C@@H](c2ccc(C(=O)O)cc2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473135283 HF Annotated Anodyne CNC(=O)[C@@H]1Cc2cc(Br)ccc2N1C(=O)COc1ccc(F)cc1 ZINC000473135584 HF Annotated Anodyne CNC(=O)[C@H]1Cc2cc(Br)ccc2N1C(=O)COc1ccc(F)cc1 ZINC000473135585 HF Annotated Anodyne CC[C@H]1Cc2cc(OS(N)(=O)=O)c(OC)cc2CN1Cc1cccc(OC)c1 ZINC000473136140 HF Annotated Anodyne CC[C@@H]1Cc2cc(OS(N)(=O)=O)c(OC)cc2CN1Cc1cccc(OC)c1 ZINC000473136142 HF Annotated Anodyne N[C@@H](CC(=O)N1CC(=O)Nc2cc(F)c(F)cc2C1)[C@H]1CCc2cc(F)c(F)cc21 ZINC000473136215 HF Annotated Anodyne CC1=C(C(N)=O)[C@@H](c2ccc(C#N)cc2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473136322 HF Annotated Mild CC1=C(C(N)=O)[C@H](c2ccc(C#N)cc2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473136323 HF Annotated Mild CCCCCCCC[C@H]1NC(=N)N2CCCC2=C1C(=O)OCCCCNC(=N)N ZINC000473136449 HF Annotated Mild CNC(=O)[C@@H]1Cc2cc(-c3ccncc3)ccc2N1C(=O)COc1ccc(F)cc1 ZINC000473136749 HF Annotated Anodyne CNC(=O)[C@H]1Cc2cc(-c3ccncc3)ccc2N1C(=O)COc1ccc(F)cc1 ZINC000473136753 HF Annotated Anodyne O=[N+]([O-])c1ccc(Cn2nnnc2SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000473136959 HF Annotated Bother C[C@@]1(CSC2=NCCS2)S[C@@H]2CC(=O)N2[C@H]1C(=O)OCc1ccccc1 ZINC000473145000 HF Annotated Anodyne CCN(CC)C(=O)Cc1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000473148477 HF Annotated Clean CC[C@H](C)[C@@H](C(=O)N[C@H]1CCO[C@@H](c2nc(C(=O)NC(C)C)cs2)C1)N(C)C ZINC000473149157 HF Annotated Anodyne NCCCNC(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1 ZINC000473151600 HF Annotated Anodyne CCOc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000473152874 HF Annotated Bother O=C(c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1)N1CCNCC1 ZINC000473153081 HF Annotated Anodyne CCO[C@@]12C[C@H]3[C@@H](CC[C@H]4[C@@]5(C(=O)OC)CCC[C@@]34[C@H](O)OC5)[C@@H](C)C1=CC(=O)O2 ZINC000473153125 HF Annotated Anodyne Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCNC4)nc23)c(C(F)F)n1 ZINC000473154392 HF Annotated Anodyne COc1ccc2[nH]c(-c3ccccc3)c(C(=O)CN(C)CC(=O)N3CCOCC3)c2c1 ZINC000473154810 HF Annotated Anodyne Cc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2/C=N/NC(=N)N)c(C)c1 ZINC000473155051 HF Annotated Mild Cc1cccc(OC[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccc(C)nc2-n2nccn2)n1 ZINC000473162447 HF Annotated Anodyne Cc1cccc(OC[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccc(C)nc2-n2nccn2)n1 ZINC000473162456 HF Annotated Anodyne COC(=O)CCc1cccc(-c2nc(OC)[nH]c(=NCCc3ccc(F)cc3)n2)c1 ZINC000473162460 HF Annotated Anodyne Cc1ccc(N2CCCC2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ncc(F)cn2)C3)n1 ZINC000473162469 HF Annotated Anodyne Cc1ccc(OC[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccc(C)nc2-n2nccn2)nc1 ZINC000473162668 HF Annotated Anodyne Cc1ccc(OC[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccc(C)nc2-n2nccn2)nc1 ZINC000473162671 HF Annotated Anodyne Cc1ccc(N2CCN(C)CC2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccccn2)C3)n1 ZINC000473162778 HF Annotated Anodyne Cc1ccc(OC[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccc(C)nc2-n2ccnn2)nc1 ZINC000473162780 HF Annotated Anodyne Cc1ccc(OC[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccc(C)nc2-n2ccnn2)nc1 ZINC000473162782 HF Annotated Anodyne Cc1cnn(-c2ccc(C)nc2C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ncc(F)cn2)C3)c1 ZINC000473162790 HF Annotated Anodyne Cc1ccc(N2CCOCC2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccccn2)C3)n1 ZINC000473162852 HF Annotated Anodyne Cc1ccc(-n2cccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ncc(F)cn2)C3)n1 ZINC000473162865 HF Annotated Anodyne Cc1cccc(OC[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccc(C)nc2-n2ccnn2)n1 ZINC000473162952 HF Annotated Anodyne Cc1cccc(OC[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccc(C)nc2-n2ccnn2)n1 ZINC000473162954 HF Annotated Anodyne COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)O)[C@@H]1N(CCc1c2[nH]c2ccccc12)[C@H]3CC(C)=O ZINC000473167259 HF Annotated Anodyne CCOC(=O)C(CC)(CC)NC(=O)c1ccc(N2CC(OC)C2)c(OCC2CC2)n1 ZINC000473167973 HF Annotated Anodyne CN(C)CCNc1nccn2c(I)c(-c3ccccc3)nc12 ZINC000473168085 HF Annotated Anodyne CC1(C)C[C@@H]2OC(=O)[C@H](Cc3ccccc3)N=C2[C@@]23C(=O)O[C@@H]4OCC(=CC[C@@H]12)[C@H]43 ZINC000473170710 HF Annotated Anodyne CC1(C)C[C@@H]2OC(=O)[C@H](Cc3ccccc3)N=C2[C@@]23C(=O)O[C@H]4OCC(=CC[C@@H]12)[C@H]43 ZINC000473170711 HF Annotated Anodyne CC1(C)C[C@@H]2OC(=O)[C@@H](Cc3ccccc3)N=C2[C@@]23C(=O)O[C@H]4OCC(=CC[C@@H]12)[C@H]43 ZINC000473170714 HF Annotated Anodyne CC1(C)C[C@@H]2OC(=O)[C@@H](Cc3ccccc3)N=C2[C@@]23C(=O)O[C@@H]4OCC(=CC[C@@H]12)[C@H]43 ZINC000473170716 HF Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ncc(F)cn2)C3)n1 ZINC000473171344 HF Annotated Anodyne CCOc1ccc(C)nc1C(=O)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179107 HF Annotated Anodyne Cc1c[nH]c(=N[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1 ZINC000473179296 HF Annotated Anodyne Cc1c[nH]c(=N[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1 ZINC000473179304 HF Annotated Anodyne Cn1c(C(=O)N2[C@H]3CC[C@H]2[C@@H](N=c2cnc(C(F)(F)F)c[nH]2)C3)nc2ccccc21 ZINC000473179411 HF Annotated Anodyne Cc1nc2sccn2c1C(=O)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179528 HF Annotated Anodyne O=C(c1nc2ccccc2[nH]1)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179610 HF Annotated Anodyne Cc1cc([C@@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)c2nc(C(N)=O)[nH]c2-3)no1 ZINC000473179729 HF Annotated Mild O=C(OCCCO)[C@H]1C(=O)/C(=C\c2c[nH]c3ncccc23)O/C1=N\c1ccc(F)cc1 ZINC000473180298 HF Annotated Mild O=C(OCCCO)[C@@H]1C(=O)/C(=C\c2c[nH]c3ncccc23)O/C1=N\c1ccc(F)cc1 ZINC000473180299 HF Annotated Mild CC[C@@H]1C[C@]2(CC[C@H]1O)Cc1ccc(C#N)cc1[C@@]21NC(=N)N(CC(C)(C)F)C1=O ZINC000473197693 HF Annotated Mild CC[C@@H]1C[C@@]2(CC[C@H]1O)Cc1ccc(C#N)cc1[C@@]21NC(=N)N(CC(C)(C)F)C1=O ZINC000473197697 HF Annotated Mild CC[C@@H]1C[C@@]2(CC[C@H]1O)Cc1ccc(C#N)cc1[C@]21NC(=N)N(CC(C)(C)F)C1=O ZINC000473197704 HF Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(C[C@@H]2CCO2)C3=O)C[C@H]1C ZINC000473198012 HF Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(C[C@@H]2CCO2)C3=O)C[C@H]1C ZINC000473198013 HF Annotated Mild CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(C[C@@H]2CCO2)C3=O)C[C@H]1C ZINC000473198014 HF Annotated Mild CO[C@H]1CC[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC2(C)COC2)C3=O)C[C@@H]1C ZINC000473198048 HF Annotated Mild CO[C@H]1CC[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC2(C)COC2)C3=O)C[C@@H]1C ZINC000473198053 HF Annotated Mild CO[C@H]1CC[C@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(CC2(C)COC2)C3=O)C[C@@H]1C ZINC000473198055 HF Annotated Mild C[C@H]1C[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC(C)(C)F)C3=O)C[C@@H](C)[C@@H]1O ZINC000473198714 HF Annotated Mild C[C@H]1C[C@@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(CC(C)(C)F)C3=O)C[C@@H](C)[C@@H]1O ZINC000473198719 HF Annotated Mild C[C@H]1C[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC(C)(C)F)C3=O)C[C@@H](C)[C@@H]1O ZINC000473198725 HF Annotated Mild CC(C)C[C@@H]1C(=O)N([C@@H](Cc2ccc(O)cc2)C(=O)O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473198761 HF Annotated Anodyne CC(C)C[C@@H]1C(=O)N([C@@H](Cc2ccc(O)cc2)C(=O)O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473198764 HF Annotated Anodyne CC(C)C[C@@H]1C(=O)N([C@H](Cc2ccc(O)cc2)C(=O)O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473198767 HF Annotated Anodyne CC(C)C[C@@H]1C(=O)N([C@H](Cc2ccc(O)cc2)C(=O)O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473198768 HF Annotated Anodyne [C-]#[N+]c1ccc(C(=O)Nc2ccc(F)c([C@@]3(C(F)F)NC(=N)O[C@@H]4C[C@@H]43)n2)nc1 ZINC000473213500 HF Annotated Anodyne Cc1nc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2C2CC3C2)no1 ZINC000473227429 HF Annotated Mild C/C(=N/n1cc(O)nc1O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 ZINC000473228975 HF Annotated Mild O=[N+]([O-])c1ccc2sc(Nc3c([N+](=O)[O-])cc([N+](=O)[O-])c4no[n+]([O-])c34)nc2c1 ZINC000473235087 HF Annotated Bother CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N(CCC(=O)C(N)=O)C2=O)cc1 ZINC000473240689 HF Annotated Anodyne CCCc1cc(=O)n2[nH]c(=NCc3ccc(Br)cc3F)c(C#N)c2[nH]1 ZINC000473247238 HF Annotated Mild COc1cccc2c1[nH]c(=N)n1nc(CN3CCN(c4ccccc4F)C[C@H]3C)nc21 ZINC000473247486 HF Annotated Anodyne C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCOC(C)=O)[C@@H](OC(=O)CN3CCCC3)[C@H]12 ZINC000473247527 HF Annotated Mild CCOC(=O)c1cn(CC(=O)Nc2c(C(F)(F)F)n[nH]c2-c2ccccc2)nn1 ZINC000473248402 HF Annotated Anodyne Cc1nn2c(COCc3cn(CC(=O)O)nn3)c(-c3ccc(Cl)cc3)nc2s1 ZINC000473249739 HF Annotated Anodyne COc1cccc2c1[nH]c(=N)n1nc(CN3CCN(c4cccc(F)c4)C[C@H]3C)nc21 ZINC000473249923 HF Annotated Anodyne CNC(=O)c1ccc2[nH]c(=Nc3ccc(O)cc3)c(=Nc3ccc(O)cc3)[nH]c2c1 ZINC000474607080 HF Annotated Anodyne CC[C@@]12CC(C(=O)OC)=C3Nc4cc(OC)ccc4[C@@]34CCN(C[C@@H](Cl)[C@@H]1O)[C@@H]24 ZINC000049000350 HF Annotated Reactive C[C@H]1CN(c2nc(N3CCOCC3)c3ccc(-c4ccncc4)nc3n2)C[C@@H](C)O1 ZINC000049014180 HF Annotated Anodyne Cc1cc(C)c(C2=NO[C@H](Cn3cnc4c(N5CCOCC5)ncnc43)C2)c(C)c1 ZINC000049016958 HF Annotated Anodyne Cc1cc(C)c(C2=NO[C@@H](Cn3cnc4c(N5CCOCC5)ncnc43)C2)c(C)c1 ZINC000049016962 HF Annotated Anodyne CC(=O)OC[C@H]1O[C@H](n2c(Cl)c(C#N)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O ZINC000049020047 HF Annotated Mild N#Cc1ccc2ncn(-c3ncc4[nH]c(=O)n(Cc5c(F)cccc5F)c4n3)c2c1 ZINC000049032028 HF Annotated Mild O=c1[nH]c2cnc(-n3cnc4ccccc43)nc2n1[C@@H]1CCOc2cccc(F)c21 ZINC000049032037 HF Annotated Anodyne O=c1[nH]c2cnc(-n3cnc4ccccc43)nc2n1[C@H]1CCOc2cccc(F)c21 ZINC000049032040 HF Annotated Anodyne O=c1[nH]c2cnc(-n3cnc4ccccc43)nc2n1[C@H]1CCOc2c(F)cccc21 ZINC000049032840 HF Annotated Anodyne COC(=O)c1nc(Sc2ccc3ccccc3c2)n(COCCOC(C)=O)n1 ZINC000049034497 HF Annotated Anodyne O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)[C@@H](C(F)(F)F)c2cn[nH]c21 ZINC000049035206 HF Annotated Anodyne O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)[C@H](C(F)(F)F)c2cn[nH]c21 ZINC000049035208 HF Annotated Anodyne CN1CCC(N(C)C(=O)[C@@H]2CN(S(=O)(=O)c3cccs3)c3ccccc32)CC1 ZINC000049035216 HF Annotated Anodyne CN1CCC(N(C)C(=O)[C@H]2CN(S(=O)(=O)c3cccs3)c3ccccc32)CC1 ZINC000049035218 HF Annotated Anodyne CCC[C@@H]1CCC(NC(=O)CCc2nc(-c3ccc(O)cn3)no2)=C(C(=O)O)C1 ZINC000049035323 HF Annotated Anodyne CCC[C@H]1CCC(NC(=O)CCc2nc(-c3ccc(O)cn3)no2)=C(C(=O)O)C1 ZINC000049035325 HF Annotated Anodyne CN(C[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21)S(C)(=O)=O ZINC000049035561 HF Annotated Anodyne O=C(NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21)[C@H]1CCCN1 ZINC000049035704 HF Annotated Anodyne CC[C@H]1C(=O)c2[nH]ncc2[C@@H](CC)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000049037087 HF Annotated Anodyne O=C1c2[nH]ncc2[C@@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C12CC2 ZINC000049045275 HF Annotated Anodyne O=C1c2[nH]ncc2[C@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C12CC2 ZINC000049045279 HF Annotated Anodyne COC(=O)c1nc(Sc2ccccc2C(F)(F)F)n(COCCOC(C)=O)n1 ZINC000049046543 HF Annotated Anodyne Cc1cc(C#N)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccnc(F)c2)c1 ZINC000049047065 HF Annotated Mild COC(=O)c1nc(Sc2cccc(C(F)(F)F)c2)n(COCCOC(C)=O)n1 ZINC000049047173 HF Annotated Anodyne O=C(CSc1nc2ccccc2[nH]1)NN1C(=O)CS[C@H]1c1ccc(O)cc1 ZINC000049049082 HF Annotated Anodyne O=C(CSc1nc2ccccc2[nH]1)NN1C(=O)CS[C@@H]1c1ccc(O)cc1 ZINC000049049086 HF Annotated Anodyne O=C1c2[nH]ncc2[C@@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C12CC2 ZINC000049050197 HF Annotated Anodyne O=C1c2[nH]ncc2[C@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cn2)C12CC2 ZINC000049050201 HF Annotated Anodyne CC(=O)N1CCN(Cc2cccc3c2-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1 ZINC000049053085 HF Annotated Anodyne C[C@@H](CNC(=O)c1ccccc1O)/N=C/c1cc(I)ccc1O ZINC000049067702 HF Annotated Mild C[C@H](CNC(=O)c1ccccc1O)/N=C/c1cc(I)ccc1O ZINC000049067704 HF Annotated Mild CC(=O)N1CCC[C@@]1(Cc1cccc(S(C)(=O)=O)c1)C(=O)OCc1ccccc1 ZINC000049069246 HF Annotated Anodyne CC(=O)N1CCC[C@]1(Cc1cccc(S(C)(=O)=O)c1)C(=O)OCc1ccccc1 ZINC000049069248 HF Annotated Anodyne O=C(NC(=S)Nc1nc2cc(Br)ccc2s1)N1CCOCC1 ZINC000049069430 HF Annotated Anodyne CCN(C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1)C(C)C ZINC000049069524 HF Annotated Anodyne C=CCc1cc(OC)c(O[C@@H](CO)[C@H](O)c2cc(OC)c(O)c(OC)c2)c(OC)c1 ZINC000049070698 HF Annotated Mild CCCCN(C)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000049072695 HF Annotated Anodyne Cn1cc(/C=C2\Oc3cccc(O)c3C2=O)c2c(N3CCC(C(N)=O)CC3)ccnc21 ZINC000049072857 HF Annotated Mild CC(=O)N1CCC[C@]1(Cc1ccc(S(C)(=O)=O)cc1)C(=O)OCc1ccccc1 ZINC000049087754 HF Annotated Anodyne CCOC(=O)/C(=N/O)c1nn2c(COc3ccc(Cl)cc3Cl)nnc2s1 ZINC000049088859 HF Annotated Mild O=C(NC(=S)Nc1nc2cc([N+](=O)[O-])ccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000049088930 HF Annotated Bother Cc1ncn2c1Cn1nc(CN3CCCC3=O)nc1-c1cc(Br)ccc1-2 ZINC000049089150 HF Annotated Anodyne Cc1cc(C#N)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cc(F)nc(F)c2)c1 ZINC000049089664 HF Annotated Mild O=c1[nH]c2cnc(-n3cnc4ccccc43)nc2n1[C@@H]1CCOc2ccc(F)cc21 ZINC000049090049 HF Annotated Anodyne O=c1[nH]c2cnc(-n3cnc4ccccc43)nc2n1[C@H]1CCOc2ccc(F)cc21 ZINC000049090050 HF Annotated Anodyne C[C@H]1C(=O)c2[nH]ncc2[C@@H](C2CC2)N1S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000049109719 HF Annotated Anodyne O=C(CSc1nc2ccccc2[nH]1)NN1C(=O)CS[C@@H]1c1ccccc1O ZINC000049111236 HF Annotated Clean O=C(CSc1nc2ccccc2[nH]1)NN1C(=O)CS[C@H]1c1ccccc1O ZINC000049111238 HF Annotated Clean CCOCCn1nc(CC)c2nc(N(C)[C@@H]3CCNC3)nc(Nc3cc(C)ccn3)c21 ZINC000049112674 HF Annotated Anodyne CCOCCn1nc(CC)c2nc(N(C)[C@H]3CCNC3)nc(Nc3cc(C)ccn3)c21 ZINC000049112675 HF Annotated Anodyne CCOCCn1nc(CC)c2nc(N3CCN(C)CC3)nc(Nc3cc(C)ccn3)c21 ZINC000049113323 HF Annotated Anodyne Cc1ccoc1[C@@H]1C(C#N)=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C1C(=O)CCC2 ZINC000049113607 HF Annotated Reactive Cc1ccoc1[C@H]1C(C#N)=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C1C(=O)CCC2 ZINC000049113609 HF Annotated Reactive Cc1ccccc1[C@@H]1CCc2c(C(=O)N3CC[C@@H]3C(N)=O)cc3c(nc(C)n3C)c2O1 ZINC000049113622 HF Annotated Anodyne Cc1ccccc1[C@@H]1CCc2c(C(=O)N3CC[C@H]3C(N)=O)cc3c(nc(C)n3C)c2O1 ZINC000049113624 HF Annotated Anodyne CC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)OCc1ccc(S(C)(=O)=O)cc1 ZINC000049113679 HF Annotated Anodyne CC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)OCc1ccc(S(C)(=O)=O)cc1 ZINC000049113681 HF Annotated Anodyne C[C@H]1CN(c2nc(N3CCOCC3)c3ccc(Nc4ccncc4)nc3n2)C[C@@H](C)O1 ZINC000049114615 HF Annotated Anodyne CCOCCn1nc(C)c2nc(N3CCC(CN)CC3)nc(Nc3cc(C)ccn3)c21 ZINC000049116140 HF Annotated Anodyne CC(C)[C@H](N)C(=O)OCOC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl ZINC000049116375 HF Annotated Clean CC(C)[C@@H](N)C(=O)OCOC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl ZINC000049116379 HF Annotated Clean CCCN(CC)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000049124624 HF Annotated Anodyne O=C1Nc2ccccc2[C@]12[C@H]1CCCN1[C@@]1(C(=O)Nc3ccccc31)[C@@H]1CCCN12 ZINC000049125166 HF Annotated Anodyne O=C1Nc2ccccc2[C@]12[C@@H]1CCCN1[C@]1(C(=O)Nc3ccccc31)[C@H]1CCCN12 ZINC000049125170 HF Annotated Anodyne COC(=O)c1cc2c([nH]1)C(=O)C=C1N(C(=O)c3cc4cc(F)ccc4[nH]3)C[C@H]3C[C@]123 ZINC000049125427 HF Annotated Mild NS(=O)(=O)c1ccc([N+]2=NC(C(F)(F)F)=C/C2=C2/C=CN(O)C(O)=C2)cc1 ZINC000049538468 HF Annotated Anodyne CC(C)(N)Cn1nnnc1CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049679746 HF Annotated Reactive O=CN1CCN(C(=O)CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 ZINC000049695222 HF Annotated Reactive O=C(NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CCNCC1 ZINC000049757002 HF Annotated Reactive CN1CCN(C(=O)NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 ZINC000049767095 HF Annotated Reactive COC(=O)c1cc2c([nH]1)C(=O)C=C1N(C(=O)c3cc4cc(C#N)ccc4[nH]3)C[C@H]3C[C@]123 ZINC000049783777 HF Annotated Mild CC(C)NC(=O)c1nn(-c2ccc(Br)cc2)c(=O)c2c(N)scc12 ZINC000049784471 HF Annotated Anodyne CC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000049784846 HF Annotated Anodyne COC(=O)c1nc(Sc2ccc(C(F)(F)F)cc2)n(COCCOC(C)=O)n1 ZINC000049785151 HF Annotated Anodyne CC1(C)CC(N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)=CC(=[N+]2CCCCC2)C1 ZINC000049793080 HF Annotated Bother CC1(C)CC(N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)=CC(=[N+]2CCCCC2)C1 ZINC000049793081 HF Annotated Bother CC1(C)CC(N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)=CC(=[N+]2CCCCC2)C1 ZINC000049793082 HF Annotated Bother CC1(C)CC(N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)=CC(=[N+]2CCCCC2)C1 ZINC000049793083 HF Annotated Bother N#Cc1ccc2ncn(-c3ncc4[nH]c(=O)n(Cc5cccc(F)c5F)c4n3)c2c1 ZINC000049793084 HF Annotated Mild CN(C)c1ccc(/C=C2\NC(=O)N(S(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000049802684 HF Annotated Clean Cc1noc2c(Cc3ccccc3)nn(CC(=O)N/N=C\c3ccccc3F)c(=O)c12 ZINC000049803325 HF Annotated Reactive Nc1nc(=O)[nH]c2nc(SCc3nc4ccccc4[nH]3)nc(-c3ccccc3)c12 ZINC000049803452 HF Annotated Anodyne Cc1ccccc1/C=N\NC(=O)Cn1nc(Cc2ccccc2)c2onc(C)c2c1=O ZINC000049803466 HF Annotated Reactive COc1cc2c(cc1OC)C(=O)N1C=C(c3ccccc3)C[C@H]1[C@H](S(=O)(=O)O)N2 ZINC000049803534 HF Annotated Anodyne Cc1noc2c(Cc3ccccc3)nn(CC(=O)N/N=C\c3cccc(F)c3)c(=O)c12 ZINC000049803560 HF Annotated Reactive Cc1noc2c(Cc3ccccc3)nn(CC(=O)N/N=C\c3ccc(F)cc3)c(=O)c12 ZINC000049803896 HF Annotated Reactive Cc1cccc(/C=N\NC(=O)Cn2nc(Cc3ccccc3)c3onc(C)c3c2=O)c1 ZINC000049807494 HF Annotated Reactive CCN(CC)CCNc1nc(C)nc(Sc2nnc3c4ccccc4n(C)c3n2)n1 ZINC000049808019 HF Annotated Anodyne Cc1ccc(/C=N\NC(=O)Cn2nc(Cc3ccccc3)c3onc(C)c3c2=O)cc1 ZINC000049808453 HF Annotated Reactive O=C(NC[C@H]1N=Cc2cncnc21)[C@H](c1ccccc1)N1C(=O)C[C@@H]1c1ccccc1 ZINC000049933377 HF Annotated Anodyne O=C(NC[C@H]1N=Cc2cncnc21)[C@@H](c1ccccc1)N1C(=O)C[C@@H]1c1ccccc1 ZINC000049933379 HF Annotated Anodyne COC(=O)C1=C(O)/C(=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)N=C1C ZINC000049933413 HF Annotated Anodyne COc1ccc(C(=O)CN2c3c(sc4ccccc34)C(=O)NS2(=O)=O)cc1 ZINC000000587598 HF Annotated Anodyne NC(=O)c1cccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3F)CC2)c1 ZINC000000589131 HF Annotated Anodyne CC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O ZINC000000592185 HF Annotated Anodyne CCCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O ZINC000000592187 HF Annotated Anodyne NC(=O)c1ccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3F)CC2)cc1 ZINC000000593381 HF Annotated Anodyne Cc1nc(C)c(-c2[nH]nc3c2C(=O)c2c(NC(=O)NN4CCOCC4)cccc2-3)s1 ZINC000000595003 HF Annotated Anodyne C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C45CC(C4)C5)c3c2F)C[C@H]1CN ZINC000000597819 HF Annotated Anodyne C1CCc2c(c3c(N4CCCC4)nc(N4CCCC4)nc3n2CCN2CCOCC2)C1 ZINC000000601691 HF Annotated Anodyne CN(C)CC(=O)OCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F ZINC000000601859 HF Annotated Anodyne COC[C@@H]1CCCN1C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1 ZINC000000603800 HF Annotated Anodyne O=C(OCN1C(=O)C2=C([C@@H]3CC[C@H]2C3)S1(=O)=O)c1c(Cl)cccc1Cl ZINC000000604916 HF Annotated Anodyne Nc1nc2c(c(=O)n(CC3CC3)c(=O)n2CC2CC2)n1Cc1cccc2ccccc12 ZINC000000605279 HF Annotated Anodyne Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OCC(N)=O)cc2)C(C#N)=C(N)O3)cc1C ZINC000000664701 HF Annotated Reactive Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OCC(N)=O)cc2)C(C#N)=C(N)O3)cc1C ZINC000000664704 HF Annotated Reactive COc1ccc(/C=N/NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c(OC)c1C ZINC000000667783 HF Annotated Reactive CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000000754856 HF Annotated Reactive CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@]21C(=O)Nc2ccc(Br)cc21 ZINC000000754857 HF Annotated Reactive CC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758530 HF Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758531 HF Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758532 HF Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000758533 HF Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000760315 HF Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000760316 HF Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(C)=O)CC(C)(C)O2 ZINC000000760366 HF Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000765336 HF Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000765337 HF Annotated Anodyne CCOC(=O)CCc1nc2nc(N(C)[C@H](C)[C@@H](O)c3ccccc3)ccc2nc1O ZINC000000766645 HF Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CCN(c4cccc(C)c4)[C@@H](C)C3)ccc2nc1O ZINC000000766703 HF Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@H](NC(C)=O)C2)cc1 ZINC000000767123 HF Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@H](NC(C)=O)C2)c1 ZINC000000767201 HF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000000767919 HF Annotated Anodyne O=C(NCCN1CCOCC1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000000768059 HF Annotated Anodyne O=C(NCCN1CCOCC1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000000768061 HF Annotated Anodyne COc1ccc(CN[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000768216 HF Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000768217 HF Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccoc2)C1 ZINC000000768781 HF Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 ZINC000000769263 HF Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1 ZINC000000769418 HF Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2)C1 ZINC000000769558 HF Annotated Anodyne CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000000769670 HF Annotated Anodyne CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000000769671 HF Annotated Anodyne CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000000769672 HF Annotated Anodyne CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000000769673 HF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N1CCOCC1 ZINC000000769706 HF Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N1CCOCC1 ZINC000000769708 HF Annotated Anodyne COc1cccc(CCNC(=O)[C@]2(C)CON=C2c2ccc(N(C)C)cc2)c1OC ZINC000000769878 HF Annotated Anodyne COc1cccc(CCNC(=O)[C@@]2(C)CON=C2c2ccc(N(C)C)cc2)c1OC ZINC000000769879 HF Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@]2(C)CON=C2c2ccc(N(C)C)cc2)c1 ZINC000000769880 HF Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@]2(C)CON=C2c2ccc(N(C)C)cc2)c1 ZINC000000769881 HF Annotated Anodyne COc1cc(CCNC(=O)[C@]2(C)CON=C2c2ccc(N(C)C)cc2)cc(OC)c1 ZINC000000769882 HF Annotated Anodyne COc1cc(CCNC(=O)[C@@]2(C)CON=C2c2ccc(N(C)C)cc2)cc(OC)c1 ZINC000000769883 HF Annotated Anodyne COc1ccc(CCNC(=O)[C@]2(C)CON=C2c2ccc(N(C)C)cc2)cc1OC ZINC000000770254 HF Annotated Anodyne COc1ccc(CCNC(=O)[C@@]2(C)CON=C2c2ccc(N(C)C)cc2)cc1OC ZINC000000770255 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000000770760 HF Annotated Anodyne CCOc1ccccc1C1=NOC[C@]1(C)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000000770870 HF Annotated Anodyne CCOc1ccccc1C1=NOC[C@]1(C)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000000770872 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000000770891 HF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000000771761 HF Annotated Anodyne O=C(NCCN1CCOCC1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000000772031 HF Annotated Anodyne O=C(NCCN1CCOCC1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000000772033 HF Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccoc2)C1 ZINC000000772254 HF Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 ZINC000000772734 HF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCC(C)(C)CO)c(OC)c1 ZINC000000772862 HF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCC(C)(C)CO)c(OC)c1 ZINC000000772864 HF Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC[C@H](O)CO)cc1 ZINC000000773826 HF Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC[C@@H](O)CO)cc1 ZINC000000773827 HF Annotated Anodyne CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC[C@H](O)CO)c1 ZINC000000773867 HF Annotated Anodyne CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC[C@@H](O)CO)c1 ZINC000000773868 HF Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NC[C@H](O)CO ZINC000000775395 HF Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NC[C@@H](O)CO ZINC000000775396 HF Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NC[C@H](O)CO)cc1 ZINC000000775412 HF Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NC[C@@H](O)CO)cc1 ZINC000000775413 HF Annotated Anodyne CC[C@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775690 HF Annotated Bother CC[C@@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775691 HF Annotated Bother CC(C)(C)c1noc(-c2cc(Br)ccc2F)c1C(=O)NC[C@H](O)CO ZINC000000776263 HF Annotated Anodyne CC(C)(C)c1noc(-c2cc(Br)ccc2F)c1C(=O)NC[C@@H](O)CO ZINC000000776264 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)CO ZINC000000791621 HF Annotated Anodyne COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)NCc2cccnc2)c1 ZINC000000876925 HF Annotated Anodyne COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)NCc2ccccn2)c(OC)c1 ZINC000000876961 HF Annotated Anodyne COc1ccc(OC)c(NC(=O)[C@@H]2[C@@H](C(=O)NCc3ccccn3)[C@@H]3C=C[C@H]2C3)c1 ZINC000000876964 HF Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2C(COC(=O)CC(C)C)=CO[C@H](OC(=O)CC(C)C)[C@@H]2[C@]12CO2 ZINC000000899389 HF Annotated Anodyne in-man endogenous COc1cc([C@@H]2OC[C@]3(OC(C)=O)[C@H]2CO[C@@H]3c2ccc(O)c(OC)c2)ccc1O ZINC000000899928 HF Annotated Anodyne in-man N[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@H]4F)c3c2Cl)CC12CC2 ZINC000000967744 HF Annotated Anodyne CN1CCN(S(=O)(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000000987871 HF Annotated Anodyne CC(=O)OC[C@@]12[C@@H](O)C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1CCC[C@]21CO1 ZINC000005037505 HF Annotated Anodyne O=C([C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCc2ccccc21 ZINC000005066908 HF Annotated Anodyne O=C([C@H]1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCc2ccccc21 ZINC000005066914 HF Annotated Anodyne O=C(NCCC1=CCCCC1)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 ZINC000005068048 HF Annotated Anodyne O=C(NCCC1=CCCCC1)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 ZINC000005068050 HF Annotated Anodyne Cc1ccc(N(C)C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)cc1 ZINC000005068286 HF Annotated Anodyne Cc1ccc(N(C)C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)cc1 ZINC000005068288 HF Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 ZINC000005068294 HF Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 ZINC000005068303 HF Annotated Anodyne C=CCN(C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C1CCCCC1 ZINC000005068416 HF Annotated Mild CNC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000005069851 HF Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000005069856 HF Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000005070238 HF Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000005070247 HF Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(C)=O)CC(C)(C)O2 ZINC000005070296 HF Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(C)=O)CC(C)(C)O2 ZINC000005070304 HF Annotated Anodyne Cc1nn([C@@H](C)C(=O)NCCCN2CCCCCC2)c(=O)c2cc3sccc3n12 ZINC000005108689 HF Annotated Anodyne Cc1nn([C@H](C)C(=O)NCCCN2CCCCCC2)c(=O)c2cc3sccc3n12 ZINC000005108691 HF Annotated Anodyne C[N+](C)(C)CCNc1ccc(NCC[N+](C)(C)C)c2c1C(=O)c1ccccc1C2=O ZINC000005116003 HF Annotated Clean C[C@H]1[C@@H](C)Nc2nc(N(C)C)[nH]c(=O)c2N1C(=O)C1=CN(Cc2ccccc2)CCC1 ZINC000005127648 HF Annotated Anodyne C[C@@H]1Nc2nc(N(C)C)[nH]c(=O)c2N(C(=O)C2=CN(Cc3ccccc3)CCC2)[C@H]1C ZINC000005127649 HF Annotated Anodyne C[C@H]1Nc2nc(N(C)C)[nH]c(=O)c2N(C(=O)C2=CN(Cc3ccccc3)CCC2)[C@@H]1C ZINC000005127650 HF Annotated Anodyne C[C@@H]1Nc2nc(N(C)C)[nH]c(=O)c2N(C(=O)C2=CN(Cc3ccccc3)CCC2)[C@@H]1C ZINC000005127651 HF Annotated Anodyne CC(=O)O[C@@H]1O[C@@H]2O[C@@H]3OC(=O)/C(=C/C=C4\CCCC(C)(C)C4)[C@@H]3[C@@H]2[C@H]1OC(C)=O ZINC000005166461 HF Annotated Anodyne O=C(NNC(=O)c1cc(Br)c(Br)s1)c1ccncc1 ZINC000005173822 HF Annotated Reactive COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC/C(=C\C(=O)N(C)CCO)[C@H](C)[C@@H]3[C@@H](O)C[C@@H]12 ZINC000005201548 HF Annotated Anodyne CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2 ZINC000005360089 HF Annotated Anodyne in-vitro biogenic CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H]1C[C@H](OC(=O)CC(C)C)[C@]21CO1 ZINC000005360191 HF Annotated Anodyne Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)cc1 ZINC000005408962 HF Annotated Mild Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccs2)cc1 ZINC000005409033 HF Annotated Mild CCCCN1C=CN2c3nc4cc(C)c(C)cc4n3C(C(=O)OC)=C(C(=O)OC)[C@H]12 ZINC000005499214 HF Annotated Anodyne CCCCN1C=CN2c3nc4cc(C)c(C)cc4n3C(C(=O)OC)=C(C(=O)OC)[C@@H]12 ZINC000005499215 HF Annotated Anodyne CC(=O)OCON[N+](=O)N1CCC[C@H]1COC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000514290501 HF Annotated Anodyne CC(=O)OCON[N+](=O)N1CCC[C@H]1COC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000514290502 HF Annotated Anodyne Cc1cc(C)nc(NCC2=C(F)C=C3C(=O)C(C(=O)O)=CN(C4CC4)[C@@H]3[C@@H]2F)c1 ZINC000052636769 HF Annotated Mild Cc1cc(C)nc(NCC2=C(F)C=C3C(=O)C(C(=O)O)=CN(C4CC4)[C@H]3[C@@H]2F)c1 ZINC000052636770 HF Annotated Mild Cc1cc(C)nc(NCC2=C(F)C=C3C(=O)C(C(=O)O)=CN(C4CC4)[C@@H]3[C@H]2F)c1 ZINC000052636771 HF Annotated Mild Cc1cc(C)nc(NCC2=C(F)C=C3C(=O)C(C(=O)O)=CN(C4CC4)[C@H]3[C@H]2F)c1 ZINC000052636772 HF Annotated Mild C[C@H]1CO[C@H]2C(CNc3ccc(Cl)cc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000053188391 HF Annotated Mild C[C@H]1CO[C@@H]2C(CNc3ccc(Cl)cc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000053188393 HF Annotated Mild C[C@H]1CO[C@H]2C(CNc3ccc(Cl)cc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000053188394 HF Annotated Mild C[C@H]1CO[C@@H]2C(CNc3ccc(Cl)cc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000053188395 HF Annotated Mild C[C@H]1CO[C@H]2C(CNc3cccc(Cl)c3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000053188396 HF Annotated Mild C[C@H]1CO[C@@H]2C(CNc3cccc(Cl)c3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000053188398 HF Annotated Mild C[C@H]1CO[C@H]2C(CNc3cccc(Cl)c3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000053188399 HF Annotated Mild C[C@H]1CO[C@@H]2C(CNc3cccc(Cl)c3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000053188400 HF Annotated Mild C[C@@H]1CO[C@H]2C(CNc3ccc(Cl)cc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000053188670 HF Annotated Mild C[C@@H]1CO[C@@H]2C(CNc3ccc(Cl)cc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000053188671 HF Annotated Mild O=C1CSc2nnc(-c3ccc(S(=O)(=O)c4ccc(Cl)cc4)cc3)n2N1 ZINC000053226445 HF Annotated Anodyne COC(=O)c1cc(OC(=O)c2cc(O)c(OC)cc2CCN(C)C)ccc1OC ZINC000053226501 HF Annotated Anodyne COc1cc(OC)cc(C(=O)Nc2n[nH]c3c2CN(c2cccnc2C(C)=O)C3)c1 ZINC000053229097 HF Annotated Anodyne Nn1c(S)nnc1-c1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000053246881 HF Annotated Anodyne CC(=O)OCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CC[C@H](N(C)C)C1 ZINC000053295509 HF Annotated Mild CCCCCCCC(=O)OC[C@H](NC(=O)c1ccc[nH]c1=O)C(=O)OCCCC ZINC000053295718 HF Annotated Mild COc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)[C@@H](OC)c2ccccc2)C3)cc1 ZINC000053298937 HF Annotated Anodyne O=C(c1ccc(O)c(O)c1)c1c(Br)c(O)c(O)c(O)c1Br ZINC000053313656 HF Annotated Clean N#Cc1ccc(N2C(=O)c3ccc(OC(=O)CCc4ccc(N)nc4)cc3C2=O)cc1 ZINC000053313857 HF Annotated Mild CC[C@H]1/C(=C/c2cccc(Cl)c2)[n+]2cccc(OCC(=O)O)c2[C-]1CC(N)=O ZINC000053651241 HF Annotated Anodyne CC[C@@H]1/C(=C/c2cccc(Cl)c2)[n+]2cccc(OCC(=O)O)c2[C-]1CC(N)=O ZINC000053651244 HF Annotated Anodyne CC1=[n+]2c(sc3cc(OCCO)ccc32)=N/C(=C\c2sc3ccccc3[n+]2C)[CH-]1 ZINC000053669176 HF Annotated Anodyne CC(=O)OC[C@@]12[C@H](CCC[C@]13CO3)[C@@]1(C[C@H](c3ccoc3)OC1=O)[C@H](C)C[C@H]2O ZINC000005528319 HF Annotated Anodyne CC(=O)OC[C@@]12[C@H](CCC[C@]13CO3)[C@@]1(C[C@@H](c3ccoc3)OC1=O)[C@H](C)C[C@H]2O ZINC000005528320 HF Annotated Anodyne N=C(N)NS(=O)(=O)c1ccc(NNc2c3ccccc3nc3ccccc23)cc1 ZINC000005538229 HF Annotated Clean COC(=O)C1=Cc2cc(OC)c(O)cc2[C@@H](c2ccc(O)c(OC)c2)[C@@H]1C(=O)OC ZINC000005538885 HF Annotated Anodyne CS(=O)(=O)c1nc(-c2cc3c(c(S(C)(=O)=O)n2)CCC3)cc2c1CCCCC2 ZINC000005582922 HF Annotated Anodyne CC(=O)OC[C@@]12C(=O)C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1CCC[C@]21CO1 ZINC000005648759 HF Annotated Anodyne CC(=O)OC[C@]12C(=O)C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1CCC[C@]21CO1 ZINC000005648760 HF Annotated Anodyne O=C1C(=O)[C@@]2(CS[C@]3(CS2)C(=O)C(=O)[C@H]3c2ccccc2)[C@H]1c1ccccc1 ZINC000005663847 HF Annotated Clean Cn1cc(C(=O)N/N=C/C2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)ccc1=O ZINC000005712967 HF Annotated Reactive O=C(COC(=O)c1cc(Br)ccc1O)Nc1ccc2c(c1)OCCO2 ZINC000005742952 HF Annotated Anodyne [O-][n+]1c2cc(CBr)c(CBr)cc2[n+]([O-])c2c(O)cccc21 ZINC000005766888 HF Annotated Reactive CCCCNC(=S)Nc1nc(C(=O)NNC(=S)NC2CCCCC2)cs1 ZINC000005782084 HF Annotated Reactive C[C@@H]1CCC[C@H](NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)[C@@H]1C ZINC000005785792 HF Annotated Anodyne C[C@H]1CCC[C@H](NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)[C@@H]1C ZINC000005785793 HF Annotated Anodyne C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)[C@@H]1C ZINC000005785794 HF Annotated Anodyne C[C@H]1CCC[C@@H](NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)[C@@H]1C ZINC000005785797 HF Annotated Anodyne COc1ccc(/C(C#N)=C2/O/C(=N/N)[C@H](c3ccc(OC)c(OC)c3)C2=O)cc1OC ZINC000005810597 HF Annotated Reactive CCCCNC(=S)Nc1nc(C(=O)NNC(=S)NCc2ccccc2)cs1 ZINC000005822447 HF Annotated Reactive CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(N)c(N3CCN(c4ccccn4)CC3)cc21 ZINC000005834291 HF Annotated Anodyne O=C1[C@@H](Cl)[C@@H](c2cc(Br)ccc2O)N1n1cnc2ccccc2c1=O ZINC000005838652 HF Annotated Reactive O=C1[C@@H](Cl)[C@H](c2cc(Br)ccc2O)N1n1cnc2ccccc2c1=O ZINC000005838661 HF Annotated Reactive CC(=O)OC[C@@]1(C(=O)[C@H](O)c2ccoc2)[C@H]2CCC=C3C(=O)OC[C@]32CC[C@H]1C ZINC000005839657 HF Annotated Anodyne CC(=O)OC[C@@]1(C(=O)[C@@H](O)c2ccoc2)[C@H]2CCC=C3C(=O)OC[C@]32CC[C@H]1C ZINC000005839660 HF Annotated Anodyne N[C@@H]1CC(=O)c2c(I)sc(I)c21 ZINC000005842568 HF Annotated Anodyne CCCC(=O)Nc1cc(C(=O)N2C[C@H]3C[C@@]34C2=CC(=O)c2[nH]cc(C)c24)n(COC)c1 ZINC000005843818 HF Annotated Mild O=C1CCC(=O)N1Cc1ccccc1/N=[N+](\[O-])c1ccccc1CN1C(=O)CCC1=O ZINC000005850476 HF Annotated Clean COc1ccc([C@@H]2[C@H](C=O)C(N3CCN(C)CC3)=Nc3nc4ccccc4n32)cc1 ZINC000005850683 HF Annotated Mild COc1ccc([C@@H]2[C@@H](C=O)C(N3CCN(C)CC3)=Nc3nc4ccccc4n32)cc1 ZINC000005850705 HF Annotated Mild COc1ccc([C@H]2[C@H](C=O)C(N3CCN(C)CC3)=Nc3nc4ccccc4n32)cc1 ZINC000005850736 HF Annotated Mild COc1ccc([C@H]2[C@@H](C=O)C(N3CCN(C)CC3)=Nc3nc4ccccc4n32)cc1 ZINC000005850771 HF Annotated Mild C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2ccccc2NC(=O)CCl)cc1 ZINC000005856190 HF Annotated Reactive CCOCCCn1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O ZINC000005860841 HF Annotated Mild CC(C)(C)NC(=O)c1ccccc1CC[C@H](O)CN1CCC[C@H]1C(=O)NC(C)(C)C ZINC000005885553 HF Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1CC[C@@H](O)CN1CCC[C@H]1C(=O)NC(C)(C)C ZINC000005885568 HF Annotated Anodyne Cc1cc(O)c([C@H](c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C2CC2)c(=O)o1 ZINC000005889043 HF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2cc(OC)c(OC)cc2OC)nc1 ZINC000005894381 HF Annotated Mild COCCN(CCNC(=O)c1cccc2c(N)c3cccc(C)c3nc12)CCOC ZINC000005922312 HF Annotated Clean CCOC(=O)c1cc([C@]2(O)CCN(Cc3ccccc3)C2=O)c(-c2cc(C)no2)[nH]1 ZINC000005922510 HF Annotated Anodyne Cc1csc(NC23CC4CC(CC(C4)C2)C3)[n+]1C(P(=O)(O)O)P(=O)(O)O ZINC000005923976 HF Annotated Anodyne Cc1c(Sc2ccccn2)n(COCCSc2ccccn2)c(=O)[nH]c1=O ZINC000005930287 HF Annotated Anodyne c1cc(N2CCCN(c3ccc(C4=NCCCN4)cc3)CC2)ccc1C1=NCCCN1 ZINC000005933236 HF Annotated Anodyne CCS(=O)(=O)c1ncc(CN(C)Cc2ccncn2)n1CCCc1ccccc1 ZINC000055098798 HF Annotated Anodyne Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCN3CCCCC3=O)C2)CC1 ZINC000055108706 HF Annotated Anodyne Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)CCN3CCCCC3=O)C2)CC1 ZINC000055108708 HF Annotated Anodyne CC(C)S(=O)(=O)c1ncc(CN(C)Cc2ccncn2)n1CCc1ccccc1 ZINC000055369414 HF Annotated Anodyne CC(C)Cn1c(CN(C)Cc2cnccn2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000055569036 HF Annotated Anodyne CCc1ccc(CN(C)Cc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)nc1 ZINC000055575949 HF Annotated Anodyne O=S(=O)(C1=C(Cl)N[C@H]2SC=CN12)c1cn([C@@H]2CCCNC2)c2ncccc12 ZINC000055646904 HF Annotated Anodyne O=S(=O)(C1=C(Cl)N[C@H]2SC=CN12)c1cn([C@H]2CCCNC2)c2ncccc12 ZINC000055646905 HF Annotated Anodyne O=S(=O)(C1=C(Cl)N[C@@H]2SC=CN12)c1cn([C@@H]2CCCNC2)c2ncccc12 ZINC000055646906 HF Annotated Anodyne O=S(=O)(C1=C(Cl)N[C@@H]2SC=CN12)c1cn([C@H]2CCCNC2)c2ncccc12 ZINC000055646907 HF Annotated Anodyne N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@H]1c1ccc(O)cc1 ZINC000055805345 HF Annotated Reactive N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@@H]1c1ccc(O)cc1 ZINC000055805346 HF Annotated Reactive Cc1ccc([C@H]2C(C#N)=C(N)[N+](c3ccc(S(N)(=O)=O)cc3)=C3CCCC[C-]32)o1 ZINC000055837539 HF Annotated Reactive Cc1ccc([C@@H]2C(C#N)=C(N)[N+](c3ccc(S(N)(=O)=O)cc3)=C3CCCC[C-]32)o1 ZINC000055837540 HF Annotated Reactive COc1ccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccco2)cc1 ZINC000056054388 HF Annotated Anodyne CC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 ZINC000057671326 HF Annotated Anodyne CC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 ZINC000057671329 HF Annotated Anodyne Cc1ccc(-n2nc(C(=O)N3CCN(C)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000058042688 HF Annotated Anodyne O=C(CNC(=O)/C=C/c1cccnc1)/N=c1\sccn1Cc1ccccc1Cl ZINC000058305391 HF Annotated Anodyne O=S1(=O)CCC[C@@H]2Nc3ccnn3[C@H](c3ccc(F)c(Br)c3)[C@H]21 ZINC000058482357 HF Annotated Anodyne CC(C)Nc1nc(NNC(=O)c2ccncc2)nc(N2CCCc3ccccc32)n1 ZINC000058493966 HF Annotated Reactive CO[C@H](CO)Cn1ccc(Nc2cc(-c3ccccc3C)c(C)cc2OCCN)n1 ZINC000584904817 HF Annotated Anodyne CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12 ZINC000584905405 HF Annotated Anodyne CCCCCCN=c1[nH]c(=NC2CCN(C)CC2)c2cc(OC)c(OC)cc2[nH]1 ZINC000584905484 HF Annotated Anodyne CCc1[nH]c(=N)[nH]c(=N)c1C#CCc1cc(-c2ccc(C(=O)O)cc2)ccc1OC ZINC000584905708 HF Annotated Mild CCc1[nH]c(=N)[nH]c(=N)c1C#CCc1cc(OC)cc(-c2ccc(C(=O)O)cc2)c1 ZINC000584905714 HF Annotated Mild CCCCNc1nc(NNC(=O)c2ccncc2)nc(N2CCc3ccccc3C2)n1 ZINC000058506134 HF Annotated Reactive CC(C)(C)Nc1nc(NNC(=O)c2ccncc2)nc(N2CCc3ccccc3C2)n1 ZINC000058506477 HF Annotated Reactive CN1C(=O)C[C@@]2(C1=O)[C@@H](c1ccc(Cl)cc1)CN(C)[C@@]21C(=O)Nc2ccccc21 ZINC000058506831 HF Annotated Anodyne CN1C(=O)C[C@@]2(C1=O)[C@@H](c1ccc(Cl)cc1)CN(C)[C@@]21C(=O)N(C)c2ccccc21 ZINC000058511550 HF Annotated Anodyne COc1ccc([C@H]2OC[C@]3(O)[C@H](c4ccc(OC)c(OC)c4)OC[C@H]23)cc1OC ZINC000058519741 HF Annotated Anodyne CC(C)(C)[C@H](NC(=O)Nc1cccs1)C(=O)N(CC(=O)NO)CC1CCCC1 ZINC000058538201 HF Annotated Bother O=C1Nc2ccccc2[C@]12[C@@H]1CCCN1[C@@]1(C(=O)Nc3ccccc31)[C@H]1CCCN12 ZINC000058540761 HF Annotated Anodyne CO[C@@H]1CC[C@]2(C)OC(=O)[C@H](C)[C@H]3CC[C@@](C)(OC(C)=O)[C@@H]4[C@H]3[C@H]2O[C@@H]4C[C@@]1(C)O ZINC000058559867 HF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@@H]2CC(=O)C([C@H](C)C(=O)OC)=C[C@]2(C)[C@@H]1C(=O)OC ZINC000058566035 HF Annotated Anodyne Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)n2nc(C(C)(C)CO)nc2c1C#N ZINC000058575934 HF Annotated Mild COc1ccc(Cn2nncc2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000058576290 HF Annotated Bother COc1ccc(-c2cnnn2Cc2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000058582536 HF Annotated Bother CC(C)CN(NC(=O)Cc1ccc(F)cc1)c1nc(C#N)ncc1Br ZINC000058583219 HF Annotated Reactive CC(C)N(c1cccc(N2CCN(C)CC2)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000058590514 HF Annotated Bother COc1ccc(-c2cn(Cc3cc(OC)c(OC)c(OC)c3)nn2)cc1[N+](=O)[O-] ZINC000058590804 HF Annotated Bother CC(C)(C)OC(=O)NN(CC1CCOCC1)c1nc(C#N)ncc1Br ZINC000058591424 HF Annotated Reactive NS(=O)(=O)c1cc([N+](=O)[O-])c(N(Cc2ccccc2)CC2CC2)c([N+](=O)[O-])c1 ZINC000058592330 HF Annotated Bother CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccccc2)[C@H]1c1ccc(O)cc1 ZINC000058603054 HF Annotated Anodyne COc1ccc(Cn2cc(-c3cc(OC)c(OC)c(OC)c3)nn2)cc1[N+](=O)[O-] ZINC000058608960 HF Annotated Bother COc1ccc2c(c1)cc(CNS(=O)(=O)c1cc3ccccc3o1)n2CC(=O)O ZINC000058633685 HF Annotated Anodyne CC[C@@H](CC(=O)N[C@@H](COC(C)(C)C)C(=O)O)n1c(N)nc2cc(Cl)ccc21 ZINC000058651301 HF Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@]45O[C@H]4C(=O)[C@@H](S(C)(=O)=O)C[C@]5(C)[C@H]3CC[C@]12C ZINC000058673093 HF Annotated Anodyne O=C(c1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586885973 HF Annotated Anodyne O=C(c1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586885974 HF Annotated Anodyne O=C(c1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586885975 HF Annotated Anodyne O=C(c1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586885977 HF Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1)N1CCOCC1 ZINC000586889296 HF Annotated Anodyne O=S(=O)(c1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1)N1CCOCC1 ZINC000586889297 HF Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1)N1CCOCC1 ZINC000586889298 HF Annotated Anodyne O=S(=O)(c1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1)N1CCOCC1 ZINC000586889299 HF Annotated Anodyne O=C(c1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586891153 HF Annotated Anodyne O=C(c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586891162 HF Annotated Anodyne O=C(c1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586891163 HF Annotated Anodyne O=C(c1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586891164 HF Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1 ZINC000586892968 HF Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1 ZINC000586892983 HF Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1 ZINC000586892986 HF Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1 ZINC000586892990 HF Annotated Anodyne O=C(c1ccc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586899142 HF Annotated Anodyne CC[C@H](O)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586900182 HF Annotated Anodyne Cc1oc2c(c1-c1nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]1)C(=O)CCC2 ZINC000586903381 HF Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C[C@H]3COCCO3)[nH]c2c1 ZINC000586908492 HF Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C[C@@H]3COCCO3)[nH]c2c1 ZINC000586908493 HF Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C[C@@H]3COCCO3)[nH]c2c1 ZINC000586908922 HF Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C[C@H]3COCCO3)[nH]c2c1 ZINC000586908923 HF Annotated Anodyne NS(=O)(=O)c1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000586910574 HF Annotated Mild NS(=O)(=O)c1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000586910588 HF Annotated Mild NS(=O)(=O)c1cccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586910822 HF Annotated Mild NS(=O)(=O)c1cccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586910824 HF Annotated Mild CC1(C)COc2c(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)cccc21 ZINC000586910969 HF Annotated Anodyne CC1(C)COc2c(-c3nc4ccc(C(=O)N5CCN(CCO)CC5)cc4[nH]3)cccc21 ZINC000586911244 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 ZINC000586913462 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 ZINC000586913496 HF Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 ZINC000586914467 HF Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](O)C4CCOCC4)[nH]c3c2)cc1 ZINC000586915533 HF Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](O)C4CCOCC4)[nH]c3c2)cc1 ZINC000586915534 HF Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](O)C3CCOCC3)[nH]c2c1 ZINC000586916402 HF Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](O)C3CCOCC3)[nH]c2c1 ZINC000586916403 HF Annotated Anodyne C[C@@H]1O[C@H]1c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000586917308 HF Annotated Anodyne COc1ccc2c(C)c(CCc3nc4nc(C#N)c(C#N)nc4[nH]3)c(=O)oc2c1C ZINC000586918453 HF Annotated Mild COc1ccc2c(C)c(CCc3nc4ccc(C(=O)NN)cc4[nH]3)c(=O)oc2c1C ZINC000586918836 HF Annotated Reactive CCOC(=O)Cc1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000586919739 HF Annotated Bother Cc1c(Br)cnc2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc12 ZINC000586919782 HF Annotated Bother CSc1sc(-c2nc3c(O)nc(N)nc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919974 HF Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000586919977 HF Annotated Bother O=S(=O)(CCc1nc2nc(Br)c[nH]c-2n1)c1ccc2c(c1)CCC2 ZINC000586920013 HF Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000586920021 HF Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000586920111 HF Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000586920396 HF Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000586920645 HF Annotated Anodyne Cc1nc2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2cc1Br ZINC000586920749 HF Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000586920770 HF Annotated Bother COC(=O)c1cc2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc2cc1OC ZINC000586921114 HF Annotated Anodyne COC(=O)c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1OC ZINC000586921154 HF Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586921501 HF Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586921529 HF Annotated Anodyne N#Cc1nc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2nc1C#N ZINC000586921647 HF Annotated Mild CCS(=O)(=O)c1cccc(Cc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c1 ZINC000586921899 HF Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586922722 HF Annotated Anodyne CN1CCN(c2ccc3nc(CCS(=O)(=O)c4ccc5c(c4)CCC5)[nH]c3c2)CC1 ZINC000586922812 HF Annotated Anodyne O=[N+]([O-])c1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1[N+](=O)[O-] ZINC000586923040 HF Annotated Bother CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cnc(Cl)[nH]c-4n3)c2)o1 ZINC000586923232 HF Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](N)CP(=O)(O)O)[nH]c2cc1Br ZINC000586923347 HF Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(Cl)ncnc4[nH]3)c2)o1 ZINC000586923537 HF Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)o1 ZINC000586923851 HF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CS(=O)(=O)C3CCCC3)nc2c1 ZINC000586924222 HF Annotated Anodyne COc1cc(Cc2nc3cc4cn[nH]c4cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924302 HF Annotated Unstable COC(=O)c1cccc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c12 ZINC000586924327 HF Annotated Unstable COc1cc(Cc2nc3ccc(CCO)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924359 HF Annotated Unstable CS(=O)(=O)c1cc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586924624 HF Annotated Bother CS(=O)(=O)c1cc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586924626 HF Annotated Bother COc1cc(Cc2nc3cc4c(cc3[nH]2)OCCO4)cc(S(=O)(=O)Cl)c1OC ZINC000586924730 HF Annotated Unstable COC(=O)c1ccc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2c1 ZINC000586924839 HF Annotated Unstable COc1cc(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924843 HF Annotated Unstable CCOC(=O)c1ccc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2c1 ZINC000586924897 HF Annotated Anodyne COc1cc(Cc2nc3c(Cl)ncnc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925118 HF Annotated Unstable COC(=O)c1cccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c12 ZINC000586925328 HF Annotated Bother COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586925362 HF Annotated Unstable COc1cc(Cc2nc3cc(C#N)c(C#N)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925413 HF Annotated Unstable COc1cc(Cc2nc3cccc(C(=O)O)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925455 HF Annotated Unstable COc1cc(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925565 HF Annotated Unstable COc1cc(Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925567 HF Annotated Unstable COc1cc(Cc2nc3cc4c(cc3[nH]2)OCO4)cc(S(=O)(=O)Cl)c1OC ZINC000586925568 HF Annotated Unstable COC(=O)c1ccc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2c1OC ZINC000586925663 HF Annotated Anodyne CS(=O)(=O)c1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc([N+](=O)[O-])c1Cl ZINC000586925708 HF Annotated Bother CS(=O)(=O)c1ccc(C(=O)CCc2nc3cncc(Br)c3[nH]2)cc1 ZINC000586925760 HF Annotated Anodyne COc1cc(Cc2nc3ccc(C(=O)O)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925924 HF Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(C#N)c(C#N)cc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926299 HF Annotated Mild CCOC(=O)Cc1ccc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2c1 ZINC000586926311 HF Annotated Anodyne Nc1ncnc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc12 ZINC000586926566 HF Annotated Unstable COC(=O)c1cc2[nH]c(CCC(=O)c3ccc(S(C)(=O)=O)cc3)nc2cc1OC ZINC000586927035 HF Annotated Anodyne CS(=O)(=O)c1cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586927048 HF Annotated Bother CS(=O)(=O)c1cc(-c2nc3c(S)nc(S)nc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586927081 HF Annotated Bother CS(=O)(=O)c1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc([N+](=O)[O-])c1Cl ZINC000586927183 HF Annotated Bother CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000586927195 HF Annotated Anodyne N=c1[nH]cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc-2[nH]1 ZINC000586927455 HF Annotated Unstable N#Cc1nc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2nc1C#N ZINC000586927561 HF Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc([N+](=O)[O-])c1Cl ZINC000586928211 HF Annotated Bother COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000586928359 HF Annotated Unstable CN(Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928443 HF Annotated Anodyne CN(Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928468 HF Annotated Mild CN(Cc1nc2cc(Br)c(F)c(F)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928487 HF Annotated Anodyne CN(Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928611 HF Annotated Anodyne CN(Cc1nc2c(Br)cnc(Cl)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928644 HF Annotated Anodyne Cc1nc2[nH]c(CN(C)S(=O)(=O)c3ccc(C#N)cc3)nc2cc1Br ZINC000586928756 HF Annotated Mild CN(Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928763 HF Annotated Anodyne CN(Cc1nc2c(F)cnc(Br)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928764 HF Annotated Mild CN(Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928817 HF Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(CN(C)S(=O)(=O)c3ccc(C#N)cc3)nc2c1 ZINC000586928828 HF Annotated Mild COC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1OC ZINC000586928865 HF Annotated Anodyne COC(=O)c1cc2[nH]c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc2cc1OC ZINC000586928942 HF Annotated Anodyne CN(Cc1nc2c3cccnc3c3ncccc3c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929036 HF Annotated Bother Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1Cl ZINC000586929162 HF Annotated Unstable CN(Cc1nc2ccc(Br)c(O)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929225 HF Annotated Mild NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)c1 ZINC000586929261 HF Annotated Anodyne CN(Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929278 HF Annotated Anodyne CN(C)C(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000586929458 HF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000586929466 HF Annotated Anodyne CN(Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929509 HF Annotated Bother CN(Cc1nc2c(Cl)c(Br)cnc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929517 HF Annotated Anodyne CN(Cc1nc2nc(Br)c[nH]c-2n1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929551 HF Annotated Anodyne CN(C)CCOc1ccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000586929564 HF Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CCc3ccc(S(N)(=O)=O)cc3)nc2c1 ZINC000586929627 HF Annotated Mild Cc1c(Br)cnc2[nH]c(CN(C)S(=O)(=O)c3ccc(C#N)cc3)nc12 ZINC000586929703 HF Annotated Mild CCN(CC)S(=O)(=O)c1cccc(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000586929839 HF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586929874 HF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Br)cc(F)c2[nH]1 ZINC000586929875 HF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(F)cc(Br)c2[nH]1 ZINC000586929921 HF Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000586930003 HF Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000586930018 HF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586930125 HF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Br)c(F)cc2[nH]1 ZINC000586930173 HF Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 ZINC000586930179 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc(I)ccc3[nH]2)o1 ZINC000586930204 HF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(COc3ccc(S(N)(=O)=O)cc3C)nc2c1 ZINC000586930323 HF Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)c1 ZINC000586930467 HF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000586930494 HF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586930508 HF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586930514 HF Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1 ZINC000586930564 HF Annotated Bother Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586930585 HF Annotated Mild CCCCOc1cc2nc(CCS(=O)(=O)N(C)C)[nH]c2cc1Br ZINC000586930684 HF Annotated Anodyne CC(C)COc1cc2nc(CCS(=O)(=O)N(C)C)[nH]c2cc1Br ZINC000586930716 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)o1 ZINC000586930724 HF Annotated Clean NS(=O)(=O)c1c[nH]c(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)c1 ZINC000586930760 HF Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)c1 ZINC000586930843 HF Annotated Anodyne Nc1ccc(-c2ccc3nc(CCc4ccc(S(N)(=O)=O)cc4)[nH]c3c2)cc1N ZINC000586930844 HF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(C)c(Br)cnc2[nH]1 ZINC000586930909 HF Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1 ZINC000586930917 HF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ncc[nH]c-3n2)c1 ZINC000586930954 HF Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586930968 HF Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586930991 HF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586931000 HF Annotated Mild Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Br)c(C)nc2[nH]1 ZINC000586931005 HF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000586931008 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(I)cccc3[nH]2)o1 ZINC000586931106 HF Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586931158 HF Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(O)nc(O)nc4[nH]3)c2)cc1 ZINC000586931163 HF Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586931192 HF Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CCS(=O)(=O)N(C)C)[nH]c3c2)cc1 ZINC000586931483 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000586931663 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)o1 ZINC000586931666 HF Annotated Bother CCOC(=O)c1ccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2c1 ZINC000586931675 HF Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586931679 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccnc(Br)c3[nH]2)cc1 ZINC000586931700 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000586931794 HF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(COc3ccc(S(=O)(=O)N(C)C)cc3)nc2c1 ZINC000586931801 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000586931804 HF Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586931806 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000586931831 HF Annotated Bother CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000586931855 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)o1 ZINC000586931872 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cncc(Br)c3[nH]2)cc1 ZINC000586931885 HF Annotated Anodyne COC(=O)c1cc2nc(CCS(=O)(=O)N(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586931901 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000586931902 HF Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586931960 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Br)cnc3[nH]2)cc1 ZINC000586932000 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)o1 ZINC000586932164 HF Annotated Bother CN(C)S(=O)(=O)CCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586932173 HF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)C(C)C ZINC000586932200 HF Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)C(C)C ZINC000586932201 HF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(CN3CCOCC3)cc2[nH]1)C(C)C ZINC000586932223 HF Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(CN3CCOCC3)cc2[nH]1)C(C)C ZINC000586932225 HF Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586932237 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)o1 ZINC000586932241 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Br)ncc3[nH]2)cc1 ZINC000586932272 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)o1 ZINC000586932281 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(Br)nc3[nH]2)cc1 ZINC000586932292 HF Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)C(C)C ZINC000586933312 HF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)C(C)C ZINC000586933315 HF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(SC)cc3[nH]2)[C@H](C)O)cc1 ZINC000586933972 HF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(SC)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586933973 HF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(SC)cc3[nH]2)[C@H](C)O)cc1 ZINC000586933974 HF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(SC)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586933975 HF Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccnc(N)c2[nH]1 ZINC000586934479 HF Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccnc(N)c2[nH]1 ZINC000586934485 HF Annotated Anodyne COC(=O)c1cc2nc([C@@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2cn1 ZINC000586934638 HF Annotated Anodyne COC(=O)c1cc2nc([C@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2cn1 ZINC000586934641 HF Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(N)ncc2[nH]1 ZINC000586934652 HF Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(N)ncc2[nH]1 ZINC000586934653 HF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](CCSC)NS(=O)(=O)c3ccccc3)nc12 ZINC000586934991 HF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](CCSC)NS(=O)(=O)c3ccccc3)nc12 ZINC000586934993 HF Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(N)ccnc2[nH]1 ZINC000586935485 HF Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(N)ccnc2[nH]1 ZINC000586935486 HF Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586935694 HF Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586935697 HF Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586935972 HF Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586935974 HF Annotated Bother COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc4c(c3[nH]2)CCCC4)[C@@H](C)O)cc1 ZINC000586936052 HF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc4c(c3[nH]2)CCCC4)[C@H](C)O)cc1 ZINC000586936053 HF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc4c(c3[nH]2)CCCC4)[C@H](C)O)cc1 ZINC000586936056 HF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc4c(c3[nH]2)CCCC4)[C@@H](C)O)cc1 ZINC000586936059 HF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)ncc(F)c3[nH]2)c1 ZINC000586936236 HF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(Cl)c(C)c3[nH]2)[C@H](C)O)cc1 ZINC000586936755 HF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(Cl)c(C)c3[nH]2)[C@@H](C)O)cc1 ZINC000586936763 HF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(Cl)c(C)c3[nH]2)[C@H](C)O)cc1 ZINC000586936765 HF Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(Cl)c(C)c3[nH]2)[C@@H](C)O)cc1 ZINC000586936767 HF Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586936857 HF Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586936858 HF Annotated Bother CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc1 ZINC000586937013 HF Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc1 ZINC000586937016 HF Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586937028 HF Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586937031 HF Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586937136 HF Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586937140 HF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)c1 ZINC000586937407 HF Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586937583 HF Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586937584 HF Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000586937775 HF Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000586937777 HF Annotated Anodyne COC(=O)c1ccc2nc([C@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586938029 HF Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586938031 HF Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586938639 HF Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586938658 HF Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586938992 HF Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586938998 HF Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586939380 HF Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586939381 HF Annotated Anodyne Cc1c(Br)cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1C ZINC000586939619 HF Annotated Anodyne Cc1c(Br)cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1C ZINC000586939621 HF Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586939625 HF Annotated Clean C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586939627 HF Annotated Clean C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586939710 HF Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586939711 HF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)cc(C#N)cc3[nH]2)c1 ZINC000586939924 HF Annotated Mild Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586940756 HF Annotated Bother Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586940757 HF Annotated Bother COc1ccc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000586940771 HF Annotated Bother COC(=O)c1cc2[nH]c(CNS(=O)(=O)/C=C/c3ccc(C)cc3)nc2cc1OC ZINC000586940863 HF Annotated Anodyne COC(=O)c1cc2[nH]c(CNS(=O)(=O)/C=C\c3ccc(C)cc3)nc2cc1OC ZINC000586940864 HF Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc(F)c(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940869 HF Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cncc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940908 HF Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccc(F)c(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940915 HF Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)cnc3[nH]2)cc1[N+](=O)[O-] ZINC000586940916 HF Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940946 HF Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccnc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940984 HF Annotated Bother O=S(=O)(NCc1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941001 HF Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1[N+](=O)[O-] ZINC000586941018 HF Annotated Bother O=S(=O)(NCc1nc2cccc(Br)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941079 HF Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3c(Cl)ccnc3[nH]2)cc1[N+](=O)[O-] ZINC000586941191 HF Annotated Bother Cc1ccc2c(ccc3nc(CNS(=O)(=O)c4ccc5c(c4)OCCO5)[nH]c32)n1 ZINC000586941216 HF Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc4cn[nH]c4cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941377 HF Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccc(C#N)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941481 HF Annotated Mild CSc1ccc(S(=O)(=O)NCc2nc3cccc(C#N)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941504 HF Annotated Mild CSc1ccc(S(=O)(=O)NCc2nc3ccc(Cl)nc3[nH]2)cc1[N+](=O)[O-] ZINC000586941507 HF Annotated Bother O=S(=O)(NCc1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941615 HF Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)ncc3[nH]2)cc1[N+](=O)[O-] ZINC000586941657 HF Annotated Bother O=S(=O)(NCc1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941670 HF Annotated Anodyne COc1cccc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c12 ZINC000586941677 HF Annotated Bother O=S(=O)(NCCc1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc(Cl)nc1 ZINC000586941680 HF Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc(F)cc(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941758 HF Annotated Bother COc1cncc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 ZINC000586941794 HF Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3ccc(C(C)=O)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941811 HF Annotated Bother COc1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cc1Cl ZINC000586941886 HF Annotated Anodyne COC(=O)c1ccc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2c1OC ZINC000586941952 HF Annotated Anodyne COC(=O)c1ccc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2c1OC ZINC000586941953 HF Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3c(C)nc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941958 HF Annotated Bother O=C(O)c1cccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586941970 HF Annotated Anodyne COc1cc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2cc1C ZINC000586942016 HF Annotated Bother O=[N+]([O-])c1cnc2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc2c1 ZINC000586942033 HF Annotated Bother O=S(=O)(NCc1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942043 HF Annotated Anodyne O=S(=O)(NCc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942116 HF Annotated Anodyne O=S(=O)(NCCc1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccc(Cl)nc1 ZINC000586942125 HF Annotated Anodyne CC(C)Oc1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586942252 HF Annotated Anodyne O=S(=O)(NCCc1nc2ccc(CCO)cc2[nH]1)c1c(Cl)cccc1Cl ZINC000586942264 HF Annotated Anodyne O=S(=O)(NCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942426 HF Annotated Anodyne CC(C)(C)c1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2n1 ZINC000586942452 HF Annotated Anodyne O=S(=O)(NCCc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc(Cl)nc1 ZINC000586942487 HF Annotated Anodyne O=S(=O)(NCc1nc2cc(Cl)cnc2[nH]1)c1ccc(Br)s1 ZINC000586942498 HF Annotated Anodyne O=[N+]([O-])c1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cc1Cl ZINC000586942525 HF Annotated Bother O=S(=O)(NCc1nc2c(Cl)ccnc2[nH]1)c1ccc(Br)s1 ZINC000586942551 HF Annotated Anodyne CCCOc1cc2nc(CCCNS(=O)(=O)CC)[nH]c2cc1Br ZINC000586942604 HF Annotated Anodyne O=S(=O)(NCc1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942686 HF Annotated Anodyne O=S(=O)(NCc1nc2ccc(Br)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942704 HF Annotated Anodyne O=S(=O)(NCCc1nc2cnc(Cl)[nH]c-2n1)c1c(Cl)cccc1Cl ZINC000586942743 HF Annotated Anodyne COc1cccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586942857 HF Annotated Anodyne O=S(=O)(NCCc1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942862 HF Annotated Anodyne O=S(=O)(NCCc1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942864 HF Annotated Anodyne O=S(=O)(NCCc1nc2cccc(Br)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942874 HF Annotated Anodyne O=[N+]([O-])c1cccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586942911 HF Annotated Bother O=S(=O)(NCc1nc2cc3c(cc2[nH]1)OCO3)c1ccc(Br)s1 ZINC000586942921 HF Annotated Anodyne O=[N+]([O-])c1cncc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 ZINC000586942926 HF Annotated Bother COc1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cn1 ZINC000586942931 HF Annotated Anodyne Cc1cc2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc2c(C)n1 ZINC000586942937 HF Annotated Anodyne N#Cc1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1C#N ZINC000586942950 HF Annotated Mild O=C(O)c1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c1 ZINC000586942957 HF Annotated Anodyne O=S(=O)(NCc1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(Br)s1 ZINC000586942963 HF Annotated Anodyne O=S(=O)(NCc1nc2cc(Cl)ncc2[nH]1)c1ccc(Br)s1 ZINC000586942968 HF Annotated Anodyne O=S(=O)(NCc1nc2cncc(Cl)c2[nH]1)c1ccc(Br)s1 ZINC000586942995 HF Annotated Anodyne O=S(=O)(NCCc1nc2nc(Cl)c[nH]c-2n1)c1c(Cl)cccc1Cl ZINC000586943067 HF Annotated Anodyne O=S(=O)(NCCc1nc2c(Cl)ncnc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943090 HF Annotated Anodyne COc1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2n1 ZINC000586943094 HF Annotated Anodyne Cc1ccc2c(ccc3nc(CCNS(=O)(=O)c4ccc(Cl)nc4)[nH]c32)n1 ZINC000586943105 HF Annotated Anodyne COc1nccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 ZINC000586943117 HF Annotated Anodyne O=S(=O)(NCCc1nc2ccc(Br)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586943132 HF Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586943144 HF Annotated Anodyne O=S(=O)(NCCc1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc(Cl)nc1 ZINC000586943220 HF Annotated Anodyne O=S(=O)(NCc1nc2ccc(Cl)nc2[nH]1)c1ccc(Br)s1 ZINC000586943254 HF Annotated Anodyne O=S(=O)(NCc1nc2ccnc(Cl)c2[nH]1)c1ccc(Br)s1 ZINC000586943260 HF Annotated Anodyne Nc1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cc1N ZINC000586943329 HF Annotated Anodyne O=S(=O)(NCCc1nc2ccc(CO)cc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943388 HF Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4ncncc4[nH]3)cc2)cc1 ZINC000586944039 HF Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586944047 HF Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4ncc[nH]c-4n3)cc2)cc1 ZINC000586944543 HF Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586944912 HF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586944968 HF Annotated Bother Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586944969 HF Annotated Bother Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586945076 HF Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586945133 HF Annotated Mild Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586945277 HF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586945278 HF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586945551 HF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586945553 HF Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(CCO)cc2[nH]1 ZINC000586945599 HF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586945619 HF Annotated Mild Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586945621 HF Annotated Mild Cc1oc(CNS(C)(=O)=O)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586945664 HF Annotated Anodyne COC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2n1 ZINC000586945681 HF Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)cc1 ZINC000586945711 HF Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)cc1 ZINC000586945713 HF Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586945851 HF Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc2c1 ZINC000586945873 HF Annotated Bother COC(=O)c1ccnc2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc12 ZINC000586945983 HF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000586946027 HF Annotated Anodyne COC(=O)c1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cn1 ZINC000586946069 HF Annotated Anodyne NC(=O)c1cccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 ZINC000586946099 HF Annotated Anodyne COc1cc(OC)c2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c2c1 ZINC000586946138 HF Annotated Anodyne COc1cc(OC)c2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)[nH]c2c1 ZINC000586946140 HF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000586946287 HF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c(C)c(Br)cnc3[nH]2)cc1 ZINC000586946313 HF Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 ZINC000586946482 HF Annotated Bother CNS(=O)(=O)c1cc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)n(C)c1 ZINC000586946551 HF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)cc1 ZINC000586946554 HF Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Br)cc(Cl)cc3[nH]2)n(C)c1 ZINC000586946751 HF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586946852 HF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586946853 HF Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)n(C)c1 ZINC000586946938 HF Annotated Anodyne O=[N+]([O-])c1cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2cc1F ZINC000586947101 HF Annotated Bother O=[N+]([O-])c1cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2cc1F ZINC000586947102 HF Annotated Bother N#Cc1nc(Cl)cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc12 ZINC000586947103 HF Annotated Mild N#Cc1nc(Cl)cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc12 ZINC000586947104 HF Annotated Mild CNS(=O)(=O)c1ccc(CCc2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000586947134 HF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000586947156 HF Annotated Mild Nc1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1N ZINC000586947179 HF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586947191 HF Annotated Bother Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586947192 HF Annotated Bother Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(CCO)cc2[nH]1 ZINC000586947199 HF Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(CCO)cc2[nH]1 ZINC000586947200 HF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000586947429 HF Annotated Anodyne Cc1cc2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c2cc1[N+](=O)[O-] ZINC000586947435 HF Annotated Bother Cc1cc2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)[nH]c2cc1[N+](=O)[O-] ZINC000586947439 HF Annotated Bother CNS(=O)(=O)c1cc(-c2nc3c(Cl)cc(Br)cc3[nH]2)n(C)c1 ZINC000586947645 HF Annotated Anodyne CS(=O)(=O)Nc1ccc(O)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000586948489 HF Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000586948568 HF Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(C#N)cc(Br)c3[nH]2)c1 ZINC000586949327 HF Annotated Mild O=S(=O)(Nc1ccccc1-c1nc2cncnc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950028 HF Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3nc(C#N)c(C#N)nc3[nH]2)cc1 ZINC000586950045 HF Annotated Mild Nc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cn1 ZINC000586950065 HF Annotated Anodyne O=S(=O)(Cc1nc2ccc(CO)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950140 HF Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586950147 HF Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586950300 HF Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc2c1 ZINC000586950391 HF Annotated Bother CS(=O)(=O)Nc1ccccc1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586950522 HF Annotated Anodyne O=S(=O)(Cc1nc2c(Cl)ncnc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950566 HF Annotated Anodyne Nc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1N ZINC000586950655 HF Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586950707 HF Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000586950792 HF Annotated Anodyne O=S(=O)(Cc1nc2cnc(Cl)[nH]c-2n1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950889 HF Annotated Anodyne COc1cncc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 ZINC000586950911 HF Annotated Anodyne COc1nccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 ZINC000586950921 HF Annotated Anodyne COc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cn1 ZINC000586950944 HF Annotated Anodyne COc1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2n1 ZINC000586950971 HF Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(F)cnc3[nH]2)c1 ZINC000586951130 HF Annotated Anodyne O=S(=O)(Cc1nc2nc(Cl)c[nH]c-2n1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951244 HF Annotated Anodyne COc1cncc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 ZINC000586951247 HF Annotated Anodyne COc1nccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 ZINC000586951451 HF Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586951458 HF Annotated Anodyne COc1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2n1 ZINC000586951481 HF Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccnc(O)c3[nH]2)c1 ZINC000586951513 HF Annotated Anodyne O=[N+]([O-])c1cncc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 ZINC000586951597 HF Annotated Bother Nc1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cc1N ZINC000586951626 HF Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc(CO)cc3[nH]2)c1 ZINC000586951631 HF Annotated Anodyne Cc1nc2[nH]c(-c3sc(NS(C)(=O)=O)nc3C)nc2cc1Br ZINC000586951638 HF Annotated Anodyne COc1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cn1 ZINC000586951665 HF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3sc(NS(C)(=O)=O)nc3C)nc2c1 ZINC000586951756 HF Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(Br)c(C)nc3[nH]2)CC1 ZINC000586951893 HF Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3c(F)cnc(Br)c3[nH]2)CC1 ZINC000586952256 HF Annotated Anodyne COC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2n1 ZINC000586952373 HF Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000586952396 HF Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CC1 ZINC000586952550 HF Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3c(C)c(Br)cnc3[nH]2)CC1 ZINC000586952770 HF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc12 ZINC000586952820 HF Annotated Anodyne COC(=O)c1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cn1 ZINC000586952823 HF Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3c(F)cnc(Br)c3[nH]2)CC1 ZINC000586952909 HF Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc2c1 ZINC000586952918 HF Annotated Bother CCCS(=O)(=O)N1CCC(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CC1 ZINC000586953140 HF Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 ZINC000586953362 HF Annotated Bother Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586953414 HF Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc(Br)c(O)c3[nH]2)CC1 ZINC000586953736 HF Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc([N+](=O)[O-])cnc4[nH]3)CC2)cc1 ZINC000586954183 HF Annotated Bother Cc1ccc(S(=O)(=O)N2CCC(c3nc4cncc([N+](=O)[O-])c4[nH]3)CC2)cc1 ZINC000586954335 HF Annotated Bother O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cnnc(O)c3[nH]2)CC1 ZINC000586954343 HF Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3c(S)nc(S)nc3[nH]2)c1)N1CCC1 ZINC000586954376 HF Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(C#N)cc(Cl)c4[nH]3)c2N)C1 ZINC000586954381 HF Annotated Mild Nc1ncnc2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc12 ZINC000586954676 HF Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3c(O)ncnc3[nH]2)CC1 ZINC000586954681 HF Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(Br)c(C)c(C)c3[nH]2)CC1 ZINC000586954767 HF Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cnnc(O)c4[nH]3)CC2)cc1 ZINC000586954830 HF Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c(N)ncnc4[nH]3)CC2)cc1 ZINC000586954910 HF Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cccc(Br)c4[nH]3)c2N)C1 ZINC000586954927 HF Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c2N)C1 ZINC000586954957 HF Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(Br)cc(Cl)c3[nH]2)CC1 ZINC000586955051 HF Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c(O)ncnc4[nH]3)CC2)cc1 ZINC000586955183 HF Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c2N)C1 ZINC000586955235 HF Annotated Bother CS(=O)(=O)N1CCc2c(ccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c2N)C1 ZINC000586955263 HF Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1)N1CCC1 ZINC000586955292 HF Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(Cl)cc(Br)c3[nH]2)CC1 ZINC000586955352 HF Annotated Anodyne CC(C)Oc1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2c1 ZINC000586955604 HF Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c2N)C1 ZINC000586955644 HF Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(Br)cc4[nH]3)c2N)C1 ZINC000586955677 HF Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c2N)C1 ZINC000586955689 HF Annotated Anodyne O=C1COc2cc3[nH]c(-c4cc(S(=O)(=O)N5CCC5)ccc4Cl)nc3cc2N1 ZINC000586955701 HF Annotated Anodyne Cc1ccc2c(ccc3nc(-c4ccc5c(c4N)CCN(S(C)(=O)=O)C5)[nH]c32)n1 ZINC000586955716 HF Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CC1 ZINC000586955810 HF Annotated Clean CNS(=O)(=O)N1CCC(c2nc3cccc(OCc4ccccc4)c3[nH]2)CC1 ZINC000586955821 HF Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2N)C1 ZINC000586955941 HF Annotated Anodyne COc1cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2cc1Cl ZINC000586955949 HF Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c2N)C1 ZINC000586956008 HF Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c2N)C1 ZINC000586956054 HF Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccnc(N)c2[nH]1 ZINC000586956225 HF Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cnncc2[nH]1 ZINC000586956323 HF Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cncnc2[nH]1 ZINC000586956374 HF Annotated Anodyne COc1ccc(Cc2nc3cc(C)cc(F)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956513 HF Annotated Anodyne CCc1ccc2nc(Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)[nH]c2c1 ZINC000586956532 HF Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(N)ccnc2[nH]1 ZINC000586956704 HF Annotated Anodyne COc1ccc(Cc2nc3c(C)ccc(C)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956728 HF Annotated Anodyne COc1ccc(Cc2nc3cc(C)c(C)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956803 HF Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ncc[nH]c-2n1 ZINC000586956849 HF Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(N)ncc2[nH]1 ZINC000586956927 HF Annotated Anodyne COc1ccc(Cc2nc3ccc(C)c(C)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956957 HF Annotated Anodyne COc1ccc(Cc2nc3ccc(F)c(C)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957042 HF Annotated Anodyne COc1ccc(Cc2nc3cccc(Cl)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957246 HF Annotated Anodyne COc1ccc(Cc2nc3cc(C)c(F)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957290 HF Annotated Anodyne COc1ccc(Cc2nc3cc(C)cc(C)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957304 HF Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c(C)nccc3[nH]2)cc1 ZINC000586957588 HF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cccc(F)c3[nH]2)cc1 ZINC000586957597 HF Annotated Mild N#Cc1nc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2nc1C#N ZINC000586957692 HF Annotated Mild N#Cc1nc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2nc1C#N ZINC000586957694 HF Annotated Mild NNC(=O)c1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586957811 HF Annotated Reactive NNC(=O)c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586957817 HF Annotated Reactive Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cncc(C)c3[nH]2)cc1 ZINC000586957846 HF Annotated Mild C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586957859 HF Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586957860 HF Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586957872 HF Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586957873 HF Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(C)cnc3[nH]2)cc1 ZINC000586957979 HF Annotated Mild N=c1[nH]c2nc(CCC[S@@](=O)c3ccc(Br)cc3)nc-2c(Cl)[nH]1 ZINC000586958080 HF Annotated Anodyne N=c1[nH]c2nc(CCC[S@](=O)c3ccc(Br)cc3)nc-2c(Cl)[nH]1 ZINC000586958082 HF Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586958197 HF Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586958201 HF Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586958243 HF Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586958246 HF Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c(C)nc(C)cc3[nH]2)cc1 ZINC000586958267 HF Annotated Mild C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586958366 HF Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586958368 HF Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586958401 HF Annotated Mild C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586958405 HF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cccc(O)c3[nH]2)cc1 ZINC000586958562 HF Annotated Mild Cc1cccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c12 ZINC000586958613 HF Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c(C)ccnc3[nH]2)cc1 ZINC000586958660 HF Annotated Mild C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586959096 HF Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586959098 HF Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586959247 HF Annotated Mild C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586959256 HF Annotated Mild COc1cccc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c12 ZINC000586959563 HF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cccc(C#N)c3[nH]2)cc1 ZINC000586959565 HF Annotated Mild C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586960129 HF Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586960132 HF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 ZINC000586960343 HF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 ZINC000586960344 HF Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586960437 HF Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586960439 HF Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586960466 HF Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586960469 HF Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(C#N)cc3[nH]2)cc1 ZINC000586960524 HF Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(C)nc3[nH]2)cc1 ZINC000586960544 HF Annotated Mild O=[S@](CCCc1nc2c(O)nc(S)nc2[nH]1)c1ccc(Br)cc1 ZINC000586960587 HF Annotated Anodyne O=[S@@](CCCc1nc2c(O)nc(S)nc2[nH]1)c1ccc(Br)cc1 ZINC000586960593 HF Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586961512 HF Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586961514 HF Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586961692 HF Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586961696 HF Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586962141 HF Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586962145 HF Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586962874 HF Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586962876 HF Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3c[nH]c(=N)[nH]c-3n2)ccc1Cl ZINC000586962930 HF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 ZINC000586963204 HF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 ZINC000586963207 HF Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cnnc(O)c3[nH]2)ccc1Cl ZINC000586964021 HF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586964468 HF Annotated Mild CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586964677 HF Annotated Mild CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cccc(C(=O)OC)c2[nH]1 ZINC000586964779 HF Annotated Anodyne N#Cc1ccccc1SCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586964848 HF Annotated Mild CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586964951 HF Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(-n5cnnn5)cc4[nH]3)n2C)cc1 ZINC000586964990 HF Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(S(N)(=O)=O)cc4[nH]3)n2C)cc1 ZINC000586965065 HF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586965089 HF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586965271 HF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000586965449 HF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586965532 HF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586965621 HF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586965623 HF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586965723 HF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586965883 HF Annotated Anodyne NNC(=O)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 ZINC000586965963 HF Annotated Reactive Cc1ccc(-c2nnc(SCc3nc4cccc(S(N)(=O)=O)c4[nH]3)n2C)cc1 ZINC000586966045 HF Annotated Anodyne N#Cc1nc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2nc1C#N ZINC000586966087 HF Annotated Mild COC(=O)c1cc(Br)c2[nH]c(CSc3nc(O)cc(O)n3)nc2c1 ZINC000586966290 HF Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CSc3nc(O)cc(O)n3)[nH]c21 ZINC000586966501 HF Annotated Clean CCCCNS(=O)(=O)c1ccc2nc(CSc3nc(O)cc(CC)n3)[nH]c2c1 ZINC000586966543 HF Annotated Anodyne CCc1cc(O)nc(SCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)n1 ZINC000586966557 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586966753 HF Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(I)cnc3[nH]2)n1 ZINC000586966788 HF Annotated Anodyne Oc1cc(O)nc(SCc2nc3ccc(I)cc3[nH]2)n1 ZINC000586967241 HF Annotated Anodyne Oc1cc(O)nc(SCc2nc3cccc(I)c3[nH]2)n1 ZINC000586967293 HF Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2ncc(I)cc2[nH]1 ZINC000586968130 HF Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc(I)cnc2[nH]1 ZINC000586968219 HF Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3nc(C#N)c(C#N)nc3[nH]2)cc1Cl ZINC000586968925 HF Annotated Mild C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(N)ncnc3[nH]2)C[C@H](C)O1 ZINC000586969078 HF Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(N)ncnc3[nH]2)C[C@@H](C)O1 ZINC000586969083 HF Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c(N)ncnc3[nH]2)C[C@@H](C)O1 ZINC000586969085 HF Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c[nH]c(=N)[nH]c-3n2)C[C@H](C)O1 ZINC000586969557 HF Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c[nH]c(=N)[nH]c-3n2)C[C@@H](C)O1 ZINC000586969558 HF Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c[nH]c(=N)[nH]c-3n2)C[C@@H](C)O1 ZINC000586969560 HF Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cnnc(O)c3[nH]2)C[C@H](C)O1 ZINC000586969608 HF Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cnnc(O)c3[nH]2)C[C@@H](C)O1 ZINC000586969609 HF Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cnnc(O)c3[nH]2)C[C@@H](C)O1 ZINC000586969610 HF Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586969650 HF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 ZINC000586969699 HF Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(O)ncnc3[nH]2)C[C@H](C)O1 ZINC000586970063 HF Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(O)ncnc3[nH]2)C[C@@H](C)O1 ZINC000586970064 HF Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c(O)ncnc3[nH]2)C[C@@H](C)O1 ZINC000586970065 HF Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1OC ZINC000586974131 HF Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1OC ZINC000586974132 HF Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(CCO)cc3[nH]2)cc1OC ZINC000586974704 HF Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(CCO)cc3[nH]2)cc1OC ZINC000586974706 HF Annotated Anodyne COC(=O)c1cc2nc([C@@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2cn1 ZINC000586975060 HF Annotated Anodyne COC(=O)c1cc2nc([C@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2cn1 ZINC000586975061 HF Annotated Anodyne COC(=O)c1ccc2nc([C@@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2n1 ZINC000586976060 HF Annotated Anodyne COC(=O)c1ccc2nc([C@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2n1 ZINC000586976061 HF Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1OC ZINC000586976494 HF Annotated Bother COc1cc(Br)c([C@H](N)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1OC ZINC000586976497 HF Annotated Bother COc1cc(Br)c([C@@H](N)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1OC ZINC000586976665 HF Annotated Bother COc1cc(Br)c([C@H](N)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1OC ZINC000586976666 HF Annotated Bother CCOc1cc(/C=C\c2nc3c(O)nc(N)nc3[nH]2)cc(Br)c1OC ZINC000586977258 HF Annotated Anodyne CCOc1cc(/C=C/c2nc3c(O)nc(N)nc3[nH]2)cc(Br)c1OC ZINC000586977261 HF Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cncnc2[nH]1 ZINC000586977366 HF Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cnncc2[nH]1 ZINC000586978557 HF Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ncc[nH]c-2n1 ZINC000586978598 HF Annotated Anodyne CC1=C(c2ccc3nc(Cn4nc(C)c(Br)c4C)[nH]c3c2)NNC(=O)C1 ZINC000586979237 HF Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586979582 HF Annotated Anodyne COC(=O)c1ccc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2n1 ZINC000586979771 HF Annotated Anodyne COC(=O)c1ccnc2[nH]c(COc3c(C=O)cc(Br)cc3OC)nc12 ZINC000586979881 HF Annotated Anodyne Cc1c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979935 HF Annotated Bother COC(=O)c1cc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2cn1 ZINC000586980114 HF Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c1Br ZINC000586980384 HF Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2c(O)nc(S)nc2[nH]1 ZINC000586980631 HF Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cccc(C(N)=O)c2[nH]1 ZINC000586980647 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1 ZINC000586983775 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 ZINC000586983776 HF Annotated Anodyne COC(=O)c1ccc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2n1 ZINC000586983939 HF Annotated Anodyne COC(=O)c1ccc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2n1 ZINC000586983942 HF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](Cc3ccc(Br)cc3)NC(C)=O)nc12 ZINC000586984092 HF Annotated Anodyne COC(=O)c1ccc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c2n1 ZINC000586984108 HF Annotated Anodyne COC(=O)c1ccnc2[nH]c(C[C@H](NC(C)=O)c3ccc(Br)cc3)nc12 ZINC000586984283 HF Annotated Anodyne COC(=O)c1ccnc2[nH]c(C[C@@H](NC(C)=O)c3ccc(Br)cc3)nc12 ZINC000586984285 HF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)c1ccc(Br)cc1 ZINC000586984590 HF Annotated Anodyne CC(=O)N[C@H](Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)c1ccc(Br)cc1 ZINC000586984592 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c12 ZINC000586985110 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12 ZINC000586985111 HF Annotated Anodyne COC(=O)c1cc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cn1 ZINC000586985209 HF Annotated Anodyne COC(=O)c1cc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cn1 ZINC000586985211 HF Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000586985218 HF Annotated Anodyne COC(=O)c1cc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c2cn1 ZINC000586985659 HF Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586985672 HF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(C(N)=O)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986010 HF Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(C(N)=O)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986011 HF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(O)nc(S)nc2[nH]1)c1ccc(Br)cc1 ZINC000586986474 HF Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(O)nc(S)nc2[nH]1)c1ccc(Br)cc1 ZINC000586986476 HF Annotated Anodyne NC(=O)C[C@]1(C(=O)O)CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586986554 HF Annotated Anodyne NC(=O)C[C@@]1(C(=O)O)CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586986561 HF Annotated Anodyne CCOC(=O)Cn1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nn1 ZINC000586987988 HF Annotated Anodyne CCOC(=O)c1cn(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nn1 ZINC000586988681 HF Annotated Anodyne COC(=O)[C@@H]1Cc2nc3ccc(O)c4c3c(c2C[C@H]1C(=O)OC)-c1ccccc1C4=O ZINC000586991328 HF Annotated Anodyne COC(=O)[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C[C@H]1C(=O)OC ZINC000586993722 HF Annotated Anodyne COC(=O)[C@H]1Cc2nc3ccc(O)c4c3c(c2[C@H]1C(=O)OC)-c1ccccc1C4=O ZINC000586993724 HF Annotated Anodyne COC(=O)[C@@H]1Cc2nc3ccc(O)c4c3c(c2[C@@H]1C(=O)OC)-c1ccccc1C4=O ZINC000586993725 HF Annotated Anodyne COC(=O)[C@H]1Cc2nc3ccc(O)c4c3c(c2[C@@H]1C(=O)OC)-c1ccccc1C4=O ZINC000586993727 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 ZINC000586995767 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586995996 HF Annotated Anodyne NS(=O)(=O)c1cccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586997407 HF Annotated Anodyne NS(=O)(=O)c1cccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586997412 HF Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000586997621 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12 ZINC000586997702 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1 ZINC000586998056 HF Annotated Anodyne NS(=O)(=O)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586998244 HF Annotated Anodyne NS(=O)(=O)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586998245 HF Annotated Anodyne NNC(=O)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586998855 HF Annotated Reactive NNC(=O)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586998856 HF Annotated Reactive CCOc1cc2oc(=O)c(-c3nc4nc(N)ncc4[nH]3)cc2cc1Br ZINC000586999449 HF Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(O)ncnc4[nH]3)cc2cc1Br ZINC000586999705 HF Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4ncnc(N)c4[nH]3)cc2cc1Br ZINC000586999754 HF Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000586999862 HF Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c(O)nc(S)nc2[nH]1 ZINC000586999874 HF Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2cn1 ZINC000587000076 HF Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cnc(Cl)[nH]c-2n1 ZINC000587000095 HF Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(O)nncc4[nH]3)cc2cc1Br ZINC000587000141 HF Annotated Anodyne NNC(=O)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587000143 HF Annotated Reactive NNC(=O)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587000145 HF Annotated Reactive CCn1cc(Br)c(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)n1 ZINC000587000318 HF Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(O)nc(O)nc4[nH]3)cc2cc1Br ZINC000587000571 HF Annotated Anodyne Brc1ccc2c(cnn2CCc2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000587001031 HF Annotated Anodyne COc1cncc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 ZINC000587001064 HF Annotated Anodyne N=c1[nH]c2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc-2c(Cl)[nH]1 ZINC000587001071 HF Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)n1 ZINC000587001368 HF Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2n1 ZINC000587001398 HF Annotated Anodyne COC(=O)c1ccnc2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c12 ZINC000587001430 HF Annotated Anodyne Nc1nc(Cl)c2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2n1 ZINC000587001431 HF Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)n1 ZINC000587001478 HF Annotated Anodyne NNC(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1 ZINC000587001493 HF Annotated Reactive Nc1nc(O)c2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2n1 ZINC000587001517 HF Annotated Anodyne NS(=O)(=O)c1cccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587002019 HF Annotated Anodyne N#Cc1nc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2nc1C#N ZINC000587002274 HF Annotated Mild COc1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2n1 ZINC000587002374 HF Annotated Anodyne N#Cc1nc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2nc1C#N ZINC000587002707 HF Annotated Mild N#Cc1nc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2nc1C#N ZINC000587002714 HF Annotated Mild COc1nccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 ZINC000587002739 HF Annotated Anodyne O=C(O)c1cccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 ZINC000587002840 HF Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587002865 HF Annotated Bother O=C(O)c1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 ZINC000587002890 HF Annotated Anodyne NS(=O)(=O)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 ZINC000587003211 HF Annotated Anodyne COc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cn1 ZINC000587003377 HF Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587003455 HF Annotated Bother NNC(=O)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587004362 HF Annotated Reactive NNC(=O)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587004367 HF Annotated Reactive N=c1[nH]c2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc-2c(Cl)[nH]1 ZINC000587004512 HF Annotated Anodyne N=c1[nH]c2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc-2c(Cl)[nH]1 ZINC000587004513 HF Annotated Anodyne O=C1C[C@H](Cc2nc3c(O)nc(S)nc3[nH]2)c2c(Br)cccc2O1 ZINC000587004535 HF Annotated Anodyne O=C1C[C@@H](Cc2nc3c(O)nc(S)nc3[nH]2)c2c(Br)cccc2O1 ZINC000587004536 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005210 HF Annotated Anodyne N=c1[nH]cc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc-2[nH]1 ZINC000587006900 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587006992 HF Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cnn4cc(Br)cnc34)nc2cc1OC ZINC000587007734 HF Annotated Anodyne Brc1cnc2c(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cnn2c1 ZINC000587007857 HF Annotated Anodyne COC(=O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1OC ZINC000587008172 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587008334 HF Annotated Anodyne CN(C)CCOc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587008721 HF Annotated Anodyne CC1=C(c2ccc3nc(-c4cnn5cc(Br)cnc45)[nH]c3c2)NNC(=O)C1 ZINC000587008950 HF Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1[N+](=O)[O-] ZINC000587009017 HF Annotated Bother CC(C)(NC(=O)CCl)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587009921 HF Annotated Reactive CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cs1 ZINC000587014745 HF Annotated Anodyne O=S(=O)(c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1)N1CCOCC1 ZINC000587017087 HF Annotated Anodyne O=S(=O)(c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1)N1CCOCC1 ZINC000587017089 HF Annotated Anodyne N#Cc1nc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2nc1C#N ZINC000587017926 HF Annotated Mild N=c1[nH]c2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc-2c(Cl)[nH]1 ZINC000587018527 HF Annotated Anodyne N#Cc1nc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2nc1C#N ZINC000587018881 HF Annotated Mild O=C(Nc1nc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019066 HF Annotated Anodyne COC(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2n1 ZINC000587019090 HF Annotated Anodyne NS(=O)(=O)c1cccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c12 ZINC000587019118 HF Annotated Anodyne NNC(=O)c1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1 ZINC000587019267 HF Annotated Reactive O=C1COc2cc3[nH]c(Cc4csc(NC(=O)c5cccc(O)c5)n4)nc3cc2N1 ZINC000587019356 HF Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cc3csc(NC(=O)c4cccc(O)c4)n3)nc12 ZINC000587019545 HF Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)cs1)c1cccs1 ZINC000587019907 HF Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)cs1 ZINC000587020064 HF Annotated Anodyne O=C(Nc1nc(Cc2nc3c(S)nc(S)nc3[nH]2)cs1)c1cccc(O)c1 ZINC000587020087 HF Annotated Anodyne COC(=O)c1cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2cn1 ZINC000587020110 HF Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)cs1 ZINC000587020621 HF Annotated Anodyne Nc1nc(O)c2nc(-c3cccc(N=c4[nH]c(-c5ccccn5)cs4)c3)[nH]c2n1 ZINC000587021518 HF Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)s1 ZINC000587023379 HF Annotated Bother CN(C)C(=O)c1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2c1 ZINC000587023469 HF Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)s1 ZINC000587023536 HF Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cncc(Br)c3[nH]2)s1 ZINC000587023728 HF Annotated Anodyne CCOC(=O)c1ccc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2c1 ZINC000587023738 HF Annotated Anodyne COC(=O)c1ccc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2c1OC ZINC000587023824 HF Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(Br)nc3[nH]2)s1 ZINC000587023842 HF Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)s1 ZINC000587024031 HF Annotated Anodyne O=C(CCc1nc2cc(F)cc(C(=O)O)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024039 HF Annotated Anodyne COC(=O)c1cc2[nH]c(Cc3nnc(NC(=O)OC(C)(C)C)s3)nc2cc1OC ZINC000587024047 HF Annotated Anodyne O=C(CCc1nc2cc3c(cc2[nH]1)OCCO3)Nc1nnc(-c2ccncc2)s1 ZINC000587024049 HF Annotated Anodyne N#Cc1cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2cc1C#N ZINC000587024065 HF Annotated Mild CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)s1 ZINC000587024077 HF Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(Br)cnc3[nH]2)s1 ZINC000587024079 HF Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccnc(Br)c3[nH]2)s1 ZINC000587024157 HF Annotated Anodyne N#Cc1nc(Cl)cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c12 ZINC000587024180 HF Annotated Mild CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(Br)ncc3[nH]2)s1 ZINC000587024240 HF Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2c1 ZINC000587024262 HF Annotated Anodyne CCS(=O)(=O)c1ccc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2c1 ZINC000587024268 HF Annotated Anodyne COC(=O)c1cccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c12 ZINC000587024273 HF Annotated Anodyne COC(=O)c1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2c1 ZINC000587024298 HF Annotated Anodyne O=C(CCc1nc2cc(C(=O)O)c(F)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024327 HF Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c(Br)ccnc3[nH]2)s1 ZINC000587024360 HF Annotated Anodyne O=C(CCc1nc2cnc(C(F)(F)F)[nH]c-2n1)Nc1nnc(-c2ccncc2)s1 ZINC000587024376 HF Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2c1 ZINC000587024422 HF Annotated Anodyne N[C@H](N=O)c1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2c1 ZINC000587024423 HF Annotated Anodyne O=C(c1ccc2nc(CSCc3ccsc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587024724 HF Annotated Anodyne O=C(CCc1nc2cc3nc(O)[nH]c3cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587026087 HF Annotated Anodyne O=C(CCc1nc2cc3c(cc2[nH]1)NC(=O)CC3)Nc1nnc(-c2ccncc2)s1 ZINC000587026554 HF Annotated Anodyne Sc1nnc(SCc2nc3cc(I)cnc3[nH]2)s1 ZINC000587026575 HF Annotated Anodyne O=C(NCc1nc2c(Br)cnc(Br)c2[nH]1)c1cscn1 ZINC000587027436 HF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CNC(=O)c3cscn3)nc2c1 ZINC000587027908 HF Annotated Anodyne O=C(NCc1nc2c(I)cnc(Cl)c2[nH]1)c1cscn1 ZINC000587028825 HF Annotated Anodyne N[C@H](Cc1cscn1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587029144 HF Annotated Anodyne Cc1c(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029318 HF Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(O)nc(N)nc3[nH]1)N2 ZINC000587030170 HF Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(O)nc(N)nc3[nH]1)N2 ZINC000587030171 HF Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(O)nc(N)nc3[nH]1)N2 ZINC000587030172 HF Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(O)nc(N)nc3[nH]1)N2 ZINC000587030173 HF Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(O)nc(O)nc3[nH]1)N2 ZINC000587031542 HF Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(O)nc(O)nc3[nH]1)N2 ZINC000587031549 HF Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(O)nc(O)nc3[nH]1)N2 ZINC000587031551 HF Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(O)nc(O)nc3[nH]1)N2 ZINC000587031554 HF Annotated Anodyne O=C(c1ccc2nc(-c3csc4ccc(O)cc34)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587031996 HF Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cnncc4[nH]3)ccc2s1 ZINC000587033509 HF Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ncc[nH]c-4n3)ccc2s1 ZINC000587034382 HF Annotated Anodyne CC1=C(c2ccc3nc(CNC(=O)c4cc5c(s4)CCC5)[nH]c3c2)NNC(=O)C1 ZINC000587035214 HF Annotated Anodyne O=S(=O)(c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1)N1CCOCC1 ZINC000587035453 HF Annotated Anodyne O=S(=O)(c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1)N1CCOCC1 ZINC000587035460 HF Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(S(C)(=O)=O)cc4[nH]3)cc12 ZINC000587036968 HF Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(S(C)(=O)=O)cc4[nH]3)cc12 ZINC000587036972 HF Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(S)nc(S)nc4[nH]3)cc12 ZINC000587037349 HF Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(S)nc(S)nc4[nH]3)cc12 ZINC000587037353 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc12 ZINC000587038183 HF Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc5c(cc4[nH]3)OCC(=O)N5)cc12 ZINC000587038345 HF Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc5c(cc4[nH]3)OCC(=O)N5)cc12 ZINC000587038346 HF Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C1=O ZINC000587038392 HF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C1=O ZINC000587038396 HF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cccc(I)c3[nH]2)C1=O ZINC000587038716 HF Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cccc(I)c3[nH]2)C1=O ZINC000587038723 HF Annotated Mild Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4nc(Br)c[nH]c-4n3)cc12 ZINC000587038871 HF Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4nc(Br)c[nH]c-4n3)cc12 ZINC000587038876 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587038914 HF Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)C1=O ZINC000587039015 HF Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)C1=O ZINC000587039016 HF Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(I)cc3[nH]2)C1=O ZINC000587039155 HF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(I)cc3[nH]2)C1=O ZINC000587039157 HF Annotated Mild Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(S(=O)(=O)O)cc4[nH]3)cc12 ZINC000587039553 HF Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(S(=O)(=O)O)cc4[nH]3)cc12 ZINC000587039558 HF Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cc(C(=O)OC)cc(Br)c3[nH]2)C1=O ZINC000587039563 HF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(C(=O)OC)cc(Br)c3[nH]2)C1=O ZINC000587039566 HF Annotated Mild CN(C)S(=O)(=O)c1ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2c1 ZINC000587039646 HF Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000587039648 HF Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000587039651 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587039809 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587039815 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587039816 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587039817 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587040071 HF Annotated Anodyne O=C1CSC[C@@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)N1 ZINC000587040704 HF Annotated Anodyne O=C1CSC[C@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)N1 ZINC000587040705 HF Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 ZINC000587040844 HF Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 ZINC000587040848 HF Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000587041038 HF Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000587041039 HF Annotated Anodyne O=C1CSC[C@@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)N1 ZINC000587041147 HF Annotated Anodyne O=C1CSC[C@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)N1 ZINC000587041153 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587041641 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587041642 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587041643 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587041644 HF Annotated Anodyne NS(=O)(=O)c1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587042002 HF Annotated Anodyne NS(=O)(=O)c1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587042009 HF Annotated Anodyne O=S(=O)(c1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1)N1CCOCC1 ZINC000587042669 HF Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1)N1CCOCC1 ZINC000587042670 HF Annotated Anodyne NS(=O)(=O)c1cccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 ZINC000587044098 HF Annotated Anodyne NS(=O)(=O)c1cccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 ZINC000587044099 HF Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c[nH]c(=N)[nH]c-3n2)c1 ZINC000587047930 HF Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(N)ncnc3[nH]2)c1 ZINC000587047959 HF Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(O)nc(N)nc3[nH]2)c1 ZINC000587051060 HF Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(O)nc(N)nc3[nH]2)c1 ZINC000587051082 HF Annotated Anodyne O=c1ccc(-c2nc3c(O)nc(O)nc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587053223 HF Annotated Anodyne Nc1nc(O)c2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2n1 ZINC000587054981 HF Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587057452 HF Annotated Mild CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587057453 HF Annotated Mild CCN1C(=O)C[C@@H](c2nc3cccc(S(N)(=O)=O)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060742 HF Annotated Anodyne O=C(c1ccc2nc(CNc3ccccc3Cl)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587061962 HF Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(S(N)(=O)=O)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062135 HF Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3c(O)nc(O)nc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062202 HF Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cnnc(O)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062743 HF Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3c(N)ncnc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063443 HF Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3c(O)ncnc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063656 HF Annotated Anodyne O=c1cccc(-c2nc3c(O)nc(S)nc3[nH]2)n1CCOc1ccccc1Cl ZINC000587063976 HF Annotated Anodyne Nc1nc(Cl)c2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2n1 ZINC000587064340 HF Annotated Anodyne N#Cc1nc2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)nc-2[nH]c1C#N ZINC000587065105 HF Annotated Mild COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587066882 HF Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587067431 HF Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2c(O)nc(N)nc2[nH]1)c1cccc(Cl)c1 ZINC000587072011 HF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(O)nc(N)nc2[nH]1)c1cccc(Cl)c1 ZINC000587072025 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 ZINC000587075874 HF Annotated Anodyne NS(=O)(=O)c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 ZINC000587077007 HF Annotated Anodyne NS(=O)(=O)c1cccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 ZINC000587077014 HF Annotated Anodyne Cc1onc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079040 HF Annotated Bother Cc1onc(-c2nc3c(S)nc(S)nc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079085 HF Annotated Bother COC(=O)c1ccnc2nc(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)[nH]c12 ZINC000587079095 HF Annotated Bother O=S(=O)(c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1)N1CCOCC1 ZINC000587079685 HF Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1)N1CCOCC1 ZINC000587079688 HF Annotated Anodyne COC(=O)c1cc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2cn1 ZINC000587079811 HF Annotated Bother Cc1onc(-c2nc3cc(CCO)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079959 HF Annotated Bother COC(=O)c1ccc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2n1 ZINC000587080157 HF Annotated Bother Cc1onc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080989 HF Annotated Bother Cc1onc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080994 HF Annotated Bother NS(=O)(=O)c1cccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 ZINC000587082938 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 ZINC000587084554 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587085550 HF Annotated Anodyne O=S(=O)(c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1)N1CCOCC1 ZINC000587085762 HF Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587086885 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C(F)(Br)Br)[nH]c12 ZINC000587087294 HF Annotated Anodyne CC(C)(F)[C@H](Br)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587087343 HF Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587087349 HF Annotated Reactive COC(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2n1 ZINC000587088914 HF Annotated Mild COC(=O)c1ccnc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)nc12 ZINC000587089125 HF Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587089237 HF Annotated Mild COC(=O)c1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2cn1 ZINC000587089275 HF Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587089845 HF Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(N)ncnc3[nH]2)CC1 ZINC000587090918 HF Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cnnc(O)c3[nH]2)CC1 ZINC000587091146 HF Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c[nH]c(=N)[nH]c-3n2)CC1 ZINC000587091150 HF Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)nn1CC(F)(F)F ZINC000587091282 HF Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c12 ZINC000587091408 HF Annotated Anodyne CC1=C(c2ccc3nc(-c4cc([N+](=O)[O-])n(CC(F)(F)F)n4)[nH]c3c2)NNC(=O)C1 ZINC000587091793 HF Annotated Bother CCOc1ccccc1[C@](N)(c1nc2ccc(S(=O)(=O)O)cc2[nH]1)C(F)(F)F ZINC000587091913 HF Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(S(=O)(=O)O)cc2[nH]1)C(F)(F)F ZINC000587091914 HF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2c1 ZINC000587091985 HF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2c1 ZINC000587091991 HF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2c1 ZINC000587092484 HF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2c1 ZINC000587092490 HF Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(O)ncnc3[nH]2)CC1 ZINC000587092684 HF Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1[N+](=O)[O-] ZINC000587092761 HF Annotated Bother CCOc1ccccc1[C@](N)(c1nc2ccc(-n3cnnn3)cc2[nH]1)C(F)(F)F ZINC000587092989 HF Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(-n3cnnn3)cc2[nH]1)C(F)(F)F ZINC000587093001 HF Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)C(F)(F)F)n1 ZINC000587093756 HF Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)C(F)(F)F)n1 ZINC000587093764 HF Annotated Anodyne Cc1csc([C@](O)(Cc2nc3nc(Br)c[nH]c-3n2)C(F)(F)F)n1 ZINC000587094350 HF Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3nc(Br)c[nH]c-3n2)C(F)(F)F)n1 ZINC000587094351 HF Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587094878 HF Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587094879 HF Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)ON4C(=O)CCC4=O)nc13)-c1ccccc1C2=O ZINC000587096837 HF Annotated Mild COC(=O)[C@@H]1C(=O)C[C@@H](C(=O)OC)c2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587105904 HF Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@@H](C(=O)OC)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587105906 HF Annotated Anodyne COC(=O)[C@@H]1CC(=O)[C@H](C(=O)OC)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587105908 HF Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587105910 HF Annotated Anodyne NS(=O)(=O)c1cccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c12 ZINC000587109485 HF Annotated Bother NS(=O)(=O)c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587110199 HF Annotated Bother CN(C)C(=O)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 ZINC000587112132 HF Annotated Anodyne O=S(=O)(O)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 ZINC000587112551 HF Annotated Anodyne O=C1COc2cc3[nH]c(Cn4nnc(-c5ccc(C(F)(F)F)cc5)n4)nc3cc2N1 ZINC000587112828 HF Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587113206 HF Annotated Reactive CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587113214 HF Annotated Reactive FC(F)(F)c1ccc(-c2nnn(Cc3nc4c(S)nc(S)nc4[nH]3)n2)cc1 ZINC000587113335 HF Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587113722 HF Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587113723 HF Annotated Anodyne Oc1nc2cc3nc(Cn4nnc(-c5ccc(C(F)(F)F)cc5)n4)[nH]c3cc2[nH]1 ZINC000587113871 HF Annotated Anodyne N#Cc1nc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2nc1C#N ZINC000587114608 HF Annotated Mild CCOC(=O)c1cnn(-c2ccc(-c3nc4nc(N)ncc4[nH]3)cc2)c1C(F)(F)F ZINC000587115301 HF Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(O)nc(N)nc4[nH]3)nc2n1 ZINC000587115312 HF Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4ncnc(N)c4[nH]3)cc2)c1C(F)(F)F ZINC000587115535 HF Annotated Anodyne Cn1cc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587115716 HF Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2nc(Br)c[nH]c-2n1 ZINC000587116938 HF Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(O)ncnc4[nH]3)cc2)nc1C(F)(F)F ZINC000587117139 HF Annotated Bother Nc1ncnc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c12 ZINC000587117172 HF Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(O)nc(O)nc4[nH]3)cc2)nc1C(F)(F)F ZINC000587117413 HF Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(O)nncc4[nH]3)cc2)nc1C(F)(F)F ZINC000587117429 HF Annotated Bother Oc1nc(S)nc2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc12 ZINC000587117497 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c12 ZINC000587117498 HF Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587117506 HF Annotated Bother COC(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2c1OC ZINC000587117538 HF Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587117557 HF Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587117760 HF Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587118347 HF Annotated Bother CCS(=O)(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587118366 HF Annotated Bother FC(F)(F)c1ccn(Cc2cc(-c3nc4nc(Br)c[nH]c-4n3)no2)n1 ZINC000587118562 HF Annotated Anodyne COC(=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2n1 ZINC000587118587 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 ZINC000587118760 HF Annotated Anodyne COC(=O)c1cc2[nH]c(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)nc2cc1OC ZINC000587118933 HF Annotated Bother COC(=O)c1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cn1 ZINC000587119016 HF Annotated Anodyne N=c1[nH]c2nc(CCn3cc(Br)c(C(F)(F)F)n3)nc-2c(Cl)[nH]1 ZINC000587119031 HF Annotated Anodyne Nc1ncc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2n1 ZINC000587119060 HF Annotated Bother NC(=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587119457 HF Annotated Anodyne NC(=O)c1cccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587119533 HF Annotated Anodyne COC(=O)c1ccnc2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc12 ZINC000587119566 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 ZINC000587119724 HF Annotated Anodyne O=S(=O)(O)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 ZINC000587119788 HF Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 ZINC000587119825 HF Annotated Anodyne O=C1COc2cc3nc(-c4cc(Cn5ccc(C(F)(F)F)n5)on4)[nH]c3cc2N1 ZINC000587119842 HF Annotated Anodyne O=S(=O)(O)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 ZINC000587120062 HF Annotated Anodyne Nc1nc(O)c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2n1 ZINC000587120690 HF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587120852 HF Annotated Mild Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587120857 HF Annotated Mild Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587121010 HF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587121011 HF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587121087 HF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587121159 HF Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)cc2N1 ZINC000587122205 HF Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)cc2N1 ZINC000587122207 HF Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)cc2N1 ZINC000587122210 HF Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)cc2N1 ZINC000587122211 HF Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2cn1 ZINC000587123567 HF Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2n1 ZINC000587124161 HF Annotated Anodyne Cc1cc(-c2nc3c(O)nc(S)nc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587124171 HF Annotated Anodyne Cc1cc(-c2nc3nc(N)nc(Cl)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587125457 HF Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2cc1[N+](=O)[O-] ZINC000587126745 HF Annotated Bother COC(=O)c1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1OC ZINC000587127117 HF Annotated Anodyne COC(=O)c1cc2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2cc1OC ZINC000587127546 HF Annotated Anodyne CN(C)CCOc1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1 ZINC000587127566 HF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587127812 HF Annotated Bother COC(=O)c1ccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2c1 ZINC000587127833 HF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587128025 HF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587128059 HF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc3c(cc2[nH]1)OCO3 ZINC000587128111 HF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587128245 HF Annotated Bother Cn1nnc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1C(F)F ZINC000587128403 HF Annotated Anodyne FC(F)c1c(-c2nc3cc(I)cnc3[nH]2)cnc2ncnn12 ZINC000587128546 HF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cccc(C(=O)O)c2[nH]1 ZINC000587128690 HF Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cnc4ncnn4c3C(F)F)nc-2[nH]1 ZINC000587128950 HF Annotated Anodyne COC(=O)c1cccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c12 ZINC000587129050 HF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587129082 HF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587129094 HF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(CCO)cc2[nH]1 ZINC000587129170 HF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 ZINC000587129405 HF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 ZINC000587129432 HF Annotated Anodyne O=S(=O)(c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1)C(F)(F)F ZINC000587129470 HF Annotated Anodyne Cn1nc(-c2nc3c(O)nc(N)nc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130657 HF Annotated Anodyne Cn1nc(-c2nc3nc(N)ncc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130996 HF Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(N)ccnc5[nH]4)nc3n2)cn1 ZINC000587131246 HF Annotated Anodyne CC1=C(c2ccc3nc(C4(C(=O)OC(C)C)CC(F)(F)C4)[nH]c3c2)NNC(=O)C1 ZINC000587131435 HF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(S(=O)(=O)O)cc3[nH]2)C(F)(F)C1 ZINC000587133185 HF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(S(=O)(=O)O)cc3[nH]2)C(F)(F)C1 ZINC000587133186 HF Annotated Anodyne O=S(=O)(NCc1nc2c(Br)ccnc2[nH]1)c1ccc(F)c(F)c1F ZINC000587133835 HF Annotated Anodyne O=S(=O)(NCc1nc2cc(Br)cnc2[nH]1)c1ccc(F)c(F)c1F ZINC000587133865 HF Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc2c1 ZINC000587134004 HF Annotated Mild O=[N+]([O-])c1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1F ZINC000587134006 HF Annotated Bother O=S(=O)(NCc1nc2cncc(Br)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134050 HF Annotated Anodyne O=S(=O)(NCc1nc2ccnc(Br)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134051 HF Annotated Anodyne O=S(=O)(NCc1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc(F)c(F)c1F ZINC000587134096 HF Annotated Anodyne O=S(=O)(NCc1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134313 HF Annotated Anodyne O=S(=O)(NCc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134324 HF Annotated Anodyne O=S(=O)(NCc1nc2cc(Br)ncc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134376 HF Annotated Anodyne O=S(=O)(NCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(F)c(F)c1F ZINC000587134661 HF Annotated Anodyne O=S(=O)(NCc1nc2ccc(Br)nc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134885 HF Annotated Anodyne CCOC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 ZINC000587134989 HF Annotated Anodyne Cc1cc2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc2cc1[N+](=O)[O-] ZINC000587136172 HF Annotated Bother Cc1cc(N(C)Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136976 HF Annotated Bother Cc1cc(N(C)Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137172 HF Annotated Bother O=S(=O)(Nc1ccccc1-c1nc2cnnc(O)c2[nH]1)c1cc(F)ccc1F ZINC000587140193 HF Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2c(O)ncnc2[nH]1)c1cc(F)ccc1F ZINC000587140922 HF Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2c(O)nc(O)nc2[nH]1)c1cc(F)ccc1F ZINC000587141191 HF Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587141277 HF Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587141278 HF Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(N)ncnc2[nH]1 ZINC000587141935 HF Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(N)ncnc2[nH]1 ZINC000587141936 HF Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000587142194 HF Annotated Bother NS(=O)(=O)c1ccc(F)c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000587142247 HF Annotated Bother NS(=O)(=O)c1ccc(F)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000587142344 HF Annotated Anodyne N[C@H](Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccc(Br)cc1F ZINC000587144573 HF Annotated Anodyne N[C@@H](Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccc(Br)cc1F ZINC000587144578 HF Annotated Anodyne N[C@H](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(Br)cc1F ZINC000587145365 HF Annotated Anodyne N[C@@H](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(Br)cc1F ZINC000587145366 HF Annotated Anodyne Cc1ccc(/C=C\c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1F ZINC000587146314 HF Annotated Anodyne Cc1ccc(/C=C/c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1F ZINC000587146315 HF Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(O)nc(O)nc4[nH]3)cc2)cc1F ZINC000587147608 HF Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(O)nc(N)nc4[nH]3)cc2)cc1F ZINC000587147656 HF Annotated Anodyne O=C1C[C@@H](c2nc3nc(Br)c[nH]c-3n2)CN1Cc1ccc(F)cc1F ZINC000587148732 HF Annotated Anodyne O=C1C[C@H](c2nc3nc(Br)c[nH]c-3n2)CN1Cc1ccc(F)cc1F ZINC000587148733 HF Annotated Anodyne O=C1C[C@@H](c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150345 HF Annotated Anodyne O=C1C[C@H](c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150348 HF Annotated Anodyne N#Cc1nc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2nc1C#N ZINC000587154152 HF Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3nn(C)c(O)c3F)[nH]c2c1 ZINC000587154616 HF Annotated Anodyne CCCc1nc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)nn1-c1ccccc1F ZINC000587154676 HF Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4nn(C)c(O)c4F)[nH]c3c2)cc1 ZINC000587155018 HF Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3c(O)nc(S)nc3[nH]2)c1 ZINC000587155091 HF Annotated Anodyne COc1cc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)nn1-c1ccccc1F ZINC000587156436 HF Annotated Anodyne N#Cc1nc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2nc1C#N ZINC000587156661 HF Annotated Mild Nc1ncnc2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc12 ZINC000587156884 HF Annotated Anodyne Oc1nncc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587157535 HF Annotated Anodyne Oc1nc(O)c2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2n1 ZINC000587157907 HF Annotated Anodyne Oc1ncnc2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc12 ZINC000587157969 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 ZINC000587158840 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 ZINC000587158843 HF Annotated Anodyne COC(=O)c1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1OC ZINC000587162459 HF Annotated Anodyne CN(C)CCOc1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1 ZINC000587162477 HF Annotated Anodyne O=C(CCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccc(F)cc1 ZINC000587163267 HF Annotated Anodyne COC(=O)c1cc2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc2cc1OC ZINC000587163350 HF Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1)N1CCOCC1 ZINC000587163939 HF Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1)N1CCOCC1 ZINC000587163941 HF Annotated Anodyne O=S(=O)(c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1)N1CCOCC1 ZINC000587163943 HF Annotated Anodyne O=S(=O)(c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1)N1CCOCC1 ZINC000587163946 HF Annotated Anodyne O=C1CC=C(c2nc3ccc(CN4CCOCC4)cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164316 HF Annotated Anodyne O=C1CC=C(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164431 HF Annotated Bother Nc1nc(O)c2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2n1 ZINC000587166154 HF Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(O)nc(N)nc3[nH]2)c1C ZINC000587166155 HF Annotated Anodyne Nc1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1N ZINC000587169369 HF Annotated Anodyne Nc1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1N ZINC000587169370 HF Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587169574 HF Annotated Anodyne C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587169575 HF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CN(C)S(=O)(=O)c3ccc(F)cc3)nc2c1 ZINC000587169615 HF Annotated Anodyne CN(Cc1nc2c(F)cnc(Br)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169668 HF Annotated Anodyne Cc1c(Br)cnc2[nH]c(CN(C)S(=O)(=O)c3ccc(F)cc3)nc12 ZINC000587170079 HF Annotated Anodyne Cc1nc2[nH]c(CN(C)S(=O)(=O)c3ccc(F)cc3)nc2cc1Br ZINC000587170082 HF Annotated Anodyne NC(=O)c1cccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587170208 HF Annotated Anodyne NC(=O)c1cccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587170209 HF Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2c(O)nc(S)nc2[nH]1)c1ccc(F)cc1 ZINC000587170324 HF Annotated Anodyne CN(Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170349 HF Annotated Anodyne CN(Cc1nc2ccc(Br)c(O)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587171410 HF Annotated Anodyne CN(Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)S(=O)(=O)c1ccc(F)cc1 ZINC000587171414 HF Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c12 ZINC000587172258 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 ZINC000587173547 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 ZINC000587173548 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 ZINC000587174188 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 ZINC000587174189 HF Annotated Anodyne O=C(c1ccc2nc(-c3coc4cc(F)ccc34)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587175632 HF Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587178553 HF Annotated Bother COc1cc(N)c(I)cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587178579 HF Annotated Bother COc1cc(N)c(I)cc1-c1nc2ccc(CCO)cc2[nH]1 ZINC000587178681 HF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(I)c(N)cc3OC)nc12 ZINC000587178718 HF Annotated Anodyne Nc1nc(O)c2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2n1 ZINC000587178877 HF Annotated Anodyne COC(=O)c1cc2nc(-c3cc(I)c(N)cc3OC)[nH]c2cn1 ZINC000587179300 HF Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(I)c(N)cc3OC)[nH]c2n1 ZINC000587179316 HF Annotated Anodyne Cn1nc(-c2nc3cc(F)cc(F)c3[nH]2)c(I)c1C(=O)O ZINC000587179602 HF Annotated Anodyne Cc1cc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2cc1F ZINC000587179660 HF Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000587179749 HF Annotated Anodyne Cc1cc(F)c2[nH]c(-c3nn(C)c(C(=O)O)c3I)nc2c1 ZINC000587179786 HF Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc(F)c(F)cc2[nH]1 ZINC000587179807 HF Annotated Anodyne C=CCc1cccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c12 ZINC000587179810 HF Annotated Mild Cn1nc(-c2nc3ccc(F)c(F)c3[nH]2)c(I)c1C(=O)O ZINC000587179821 HF Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(ccc3ncccc32)[nH]1 ZINC000587179829 HF Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000587179869 HF Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000587179871 HF Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(F)cc(F)cc2[nH]1 ZINC000587179933 HF Annotated Anodyne Cn1nc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c(I)c1C(=O)O ZINC000587179934 HF Annotated Anodyne CSc1ccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2c1 ZINC000587180044 HF Annotated Anodyne Cn1nc(-c2nc3ccc(Cl)cc3[nH]2)c(I)c1C(=O)O ZINC000587180075 HF Annotated Anodyne Cn1nc(-c2nc3cccc(Cl)c3[nH]2)c(I)c1C(=O)O ZINC000587180097 HF Annotated Anodyne Cc1cc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc2cc1F ZINC000587180122 HF Annotated Anodyne COc1ccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(I)c1 ZINC000587180133 HF Annotated Anodyne COc1ccc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c(I)c1 ZINC000587180157 HF Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3nn(C)c(C(=O)O)c3I)nc12 ZINC000587180159 HF Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2nc(N)nc(Cl)c2[nH]1 ZINC000587180276 HF Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2nc(N)nc(Cl)c2[nH]1 ZINC000587180280 HF Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(cnc3ccccc32)[nH]1 ZINC000587180300 HF Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587180326 HF Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(F)c(F)c(F)cc2[nH]1 ZINC000587180427 HF Annotated Anodyne Cn1nc(-c2nc3cc(F)c(F)cc3[nH]2)c(I)c1C(=O)O ZINC000587180513 HF Annotated Anodyne Cc1cc(F)c2nc(-c3c(I)c(C(=O)O)nn3C)[nH]c2c1 ZINC000587180515 HF Annotated Anodyne Cc1cnc(Cl)c2nc(-c3c(I)c(C(=O)O)nn3C)[nH]c12 ZINC000587180517 HF Annotated Anodyne C=CCc1cccc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc12 ZINC000587180577 HF Annotated Mild COc1cc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2cc1C ZINC000587180646 HF Annotated Anodyne COc1ccc(-c2nc3c(O)nc(S)nc3[nH]2)c(I)c1 ZINC000587180671 HF Annotated Anodyne Cc1c(F)ccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c12 ZINC000587180673 HF Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(F)c(F)ccc2[nH]1 ZINC000587180731 HF Annotated Anodyne COc1cc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc2cc1C ZINC000587180748 HF Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000587180848 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12 ZINC000587180875 HF Annotated Unstable CSc1ccc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc2c1 ZINC000587181000 HF Annotated Anodyne Cn1nc(-c2nc3cnc4ccccc4c3[nH]2)c(I)c1C(=O)O ZINC000587181199 HF Annotated Anodyne Cn1nc(-c2nc3ccc4ncccc4c3[nH]2)c(I)c1C(=O)O ZINC000587181505 HF Annotated Anodyne CC(C)(C)c1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2n1 ZINC000587181706 HF Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)n1 ZINC000587181718 HF Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3nc(O)nc(O)c3I)nc2c1 ZINC000587181780 HF Annotated Mild Cc1c(Cl)ccc2nc(-c3nc(O)nc(O)c3I)[nH]c12 ZINC000587181797 HF Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(Cl)c(F)cc3[nH]2)n1 ZINC000587181811 HF Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)n1 ZINC000587181816 HF Annotated Anodyne CC(C)Oc1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 ZINC000587181871 HF Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3ccc4ncccc4c3[nH]2)n1 ZINC000587181888 HF Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)n1 ZINC000587181906 HF Annotated Anodyne Cc1cc(Cl)cc2nc(-c3nc(O)nc(O)c3I)[nH]c12 ZINC000587181995 HF Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cnc4ccccc4c3[nH]2)n1 ZINC000587181996 HF Annotated Anodyne Cc1ccc2c(ccc3nc(-c4nc(O)nc(O)c4I)[nH]c32)n1 ZINC000587182004 HF Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587182110 HF Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587182111 HF Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587182137 HF Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587182139 HF Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587182168 HF Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587182172 HF Annotated Anodyne Fc1ccc(I)cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587182392 HF Annotated Anodyne CSc1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 ZINC000587182528 HF Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)n1 ZINC000587182720 HF Annotated Anodyne COc1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1Cl ZINC000587182757 HF Annotated Anodyne Cc1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1Cl ZINC000587182812 HF Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3ccc4c(c3[nH]2)CCCC4)n1 ZINC000587182884 HF Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587183327 HF Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587183332 HF Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc(I)ccc3F)[nH]c12 ZINC000587183403 HF Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(Cl)cc(F)c3[nH]2)n1 ZINC000587183416 HF Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)n1 ZINC000587183436 HF Annotated Anodyne Brc1c[nH]c2nc(-c3cncc(I)c3)nc-2n1 ZINC000587184060 HF Annotated Anodyne NNC(=O)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 ZINC000587184163 HF Annotated Reactive NNC(=O)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 ZINC000587184164 HF Annotated Reactive N[C@@H](Cc1ccc(I)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587184281 HF Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587184284 HF Annotated Anodyne O=C(O)c1nn(Cc2nc3ccc(Cl)cc3[nH]2)cc1I ZINC000587184482 HF Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cc(F)c(Cl)cc3[nH]2)n1 ZINC000587184506 HF Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(Cl)c(F)cc3[nH]2)cc1I ZINC000587184544 HF Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(cnc4ccccc43)[nH]2)n1 ZINC000587184545 HF Annotated Anodyne Cc1cc(F)c2nc(-c3nn(CC(=O)O)cc3I)[nH]c2c1 ZINC000587184555 HF Annotated Anodyne CC[C@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)n1cc(I)c(C)n1 ZINC000587185119 HF Annotated Bother CC[C@@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)n1cc(I)c(C)n1 ZINC000587185121 HF Annotated Bother N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(CCO)cc2[nH]1 ZINC000587185143 HF Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc(CCO)cc2[nH]1 ZINC000587185144 HF Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(Cl)cc(F)c3[nH]2)cc1I ZINC000587185330 HF Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(F)cc(Cl)cc3[nH]2)n1 ZINC000587185331 HF Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c4c(ccc3[nH]2)CCCC4)n1 ZINC000587185377 HF Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(F)c(F)c(F)cc3[nH]2)n1 ZINC000587185457 HF Annotated Anodyne Cc1c(F)ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c12 ZINC000587185466 HF Annotated Anodyne C=CCc1cccc2[nH]c(-c3nn(CC(=O)O)cc3I)nc12 ZINC000587185685 HF Annotated Mild O=C(O)Cn1cc(I)c(-c2nc3c(Cl)cccc3[nH]2)n1 ZINC000587185726 HF Annotated Anodyne Cc1cc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2cc1F ZINC000587185780 HF Annotated Anodyne O=C(O)c1nn(Cc2nc3ccc4ncccc4c3[nH]2)cc1I ZINC000587185837 HF Annotated Anodyne COC(=O)c1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cn1 ZINC000587185853 HF Annotated Anodyne COC(=O)c1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2cn1 ZINC000587185867 HF Annotated Anodyne CC[C@@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)n1cc(I)c(C)n1 ZINC000587185916 HF Annotated Bother CC[C@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)n1cc(I)c(C)n1 ZINC000587185917 HF Annotated Bother Cc1cc2[nH]c(-c3nn(CC(=O)O)cc3I)nc2cc1F ZINC000587185922 HF Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587185925 HF Annotated Bother CCOC(=O)Cc1ccc2nc(-c3nccnc3I)[nH]c2c1 ZINC000587185928 HF Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587185935 HF Annotated Bother Brc1nccc2nc(-c3nccnc3I)[nH]c12 ZINC000587186098 HF Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(ccc4ncccc43)[nH]2)n1 ZINC000587186160 HF Annotated Anodyne C=CCc1cccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c12 ZINC000587186172 HF Annotated Mild O=C(O)c1nn(Cc2nc3cc(F)c(F)c(F)c3[nH]2)cc1I ZINC000587186196 HF Annotated Anodyne O=C(O)c1nn(Cc2nc3ccc4c(c3[nH]2)CCCC4)cc1I ZINC000587186197 HF Annotated Anodyne COC(=O)c1ccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2n1 ZINC000587186232 HF Annotated Anodyne COC(=O)c1ccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2n1 ZINC000587186233 HF Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3nccnc3I)nc12 ZINC000587186290 HF Annotated Anodyne Brc1cncc2nc(-c3nccnc3I)[nH]c12 ZINC000587186336 HF Annotated Anodyne O=C(O)c1nn(Cc2nc3cnc4ccccc4c3[nH]2)cc1I ZINC000587186441 HF Annotated Anodyne Cc1cc(F)c2[nH]c(Cn3cc(I)c(C(=O)O)n3)nc2c1 ZINC000587186456 HF Annotated Anodyne CSc1ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2c1 ZINC000587186492 HF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](N)Cc3ccc(I)cc3)nc12 ZINC000587186503 HF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](N)Cc3ccc(I)cc3)nc12 ZINC000587186504 HF Annotated Anodyne O=C(O)c1nn(Cc2nc3cccc(Cl)c3[nH]2)cc1I ZINC000587186526 HF Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587186545 HF Annotated Bother N[C@H](Cc1ccc(I)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587186547 HF Annotated Bother Brc1cnc2[nH]c(-c3nccnc3I)nc2c1 ZINC000587186710 HF Annotated Anodyne Fc1cc2[nH]c(-c3nccnc3I)nc2cc1-n1cccn1 ZINC000587186757 HF Annotated Anodyne Brc1ccc2nc(-c3nccnc3I)[nH]c2n1 ZINC000587186818 HF Annotated Anodyne Brc1cc2nc(-c3nccnc3I)[nH]c2cn1 ZINC000587186835 HF Annotated Anodyne Brc1ccnc2[nH]c(-c3nccnc3I)nc12 ZINC000587186845 HF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccc4ncc(I)n4c3)nc12 ZINC000587187140 HF Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2n1 ZINC000587187397 HF Annotated Anodyne COC(=O)c1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cn1 ZINC000587187534 HF Annotated Anodyne Cc1ccc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1 ZINC000587187818 HF Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1 ZINC000587187823 HF Annotated Reactive O=[N+]([O-])c1cncc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587188896 HF Annotated Bother O=[N+]([O-])c1cnc2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 ZINC000587188898 HF Annotated Bother C[C@H](Oc1ccc(C#N)cc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587191714 HF Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587191717 HF Annotated Mild CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587193431 HF Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587193432 HF Annotated Anodyne COC(=O)c1ccc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c1OC ZINC000587193602 HF Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c1OC ZINC000587193604 HF Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587193666 HF Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587193668 HF Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587193764 HF Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587193765 HF Annotated Anodyne COC(=O)c1cc2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc2cc1OC ZINC000587193799 HF Annotated Anodyne O=C(O)CCN(CCc1nc2nc(Br)c[nH]c-2n1)Cc1ccccc1 ZINC000587193822 HF Annotated Anodyne COC(=O)c1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1OC ZINC000587194075 HF Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2cc1OC ZINC000587194138 HF Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2cc1OC ZINC000587194139 HF Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587194456 HF Annotated Bother CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587194458 HF Annotated Bother C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587196271 HF Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587196277 HF Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587196595 HF Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587196596 HF Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2nc(Br)c[nH]c-2n1)C[C@@H]1CCCO1 ZINC000587196880 HF Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2nc(Br)c[nH]c-2n1)C[C@H]1CCCO1 ZINC000587196881 HF Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)C[C@H]1CCCO1 ZINC000587197133 HF Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587197134 HF Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)C[C@H]1CCCO1 ZINC000587197896 HF Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)C[C@@H]1CCCO1 ZINC000587197902 HF Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1)C[C@H]1CCCO1 ZINC000587198128 HF Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587198129 HF Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587198644 HF Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000587202977 HF Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587204294 HF Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587204295 HF Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587204669 HF Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587204673 HF Annotated Anodyne CCCn1cnc2c1c(=O)n(CCCCc1cc3c4c(cccc4n1)CC3)c(=O)n2C ZINC000587210781 HF Annotated Anodyne CCCn1cnc2c1c(=O)n(CCCc1c(C)nc3cccc4c3c1CC4)c(=O)n2C ZINC000587211761 HF Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)c1ccc(C)cc1 ZINC000587216780 HF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)c1ccc(C)cc1 ZINC000587216781 HF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)c1ccc(C)cc1 ZINC000587216832 HF Annotated Anodyne CC(=O)N[C@H](Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)c1ccc(C)cc1 ZINC000587216833 HF Annotated Anodyne CS(=O)(=O)N(c1cccc(-c2cc3c4c(cccc4n2)CC3)c1)S(C)(=O)=O ZINC000587216970 HF Annotated Anodyne COc1cc(-c2nc3nc(Br)c[nH]c-3n2)ccc1OCC(=O)NC(C)C ZINC000587220910 HF Annotated Anodyne COc1cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587221048 HF Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(I)cnc2[nH]1 ZINC000587223316 HF Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(I)cnc2[nH]1 ZINC000587223318 HF Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587223329 HF Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587223331 HF Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000587225039 HF Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587227234 HF Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587227726 HF Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587227790 HF Annotated Anodyne O=C(Cc1ccccc1)NCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587228020 HF Annotated Anodyne CC1=C(c2ccc3nc(CCNC(=O)OCc4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587228115 HF Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000587228173 HF Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 ZINC000587228190 HF Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000587228515 HF Annotated Anodyne CC(C)CCOc1cc2nc(CNCCNCC(=O)O)[nH]c2cc1Br ZINC000587228932 HF Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 ZINC000587229051 HF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587229359 HF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587229360 HF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587229361 HF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587229362 HF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3c(C)cnc(Cl)c3[nH]2)c1 ZINC000587229439 HF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccnc(Cl)c3[nH]2)c1 ZINC000587229885 HF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(F)c(F)c3[nH]2)c1 ZINC000587229931 HF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(Cl)nc3[nH]2)c1 ZINC000587229945 HF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3c(F)cnc(Cl)c3[nH]2)c1 ZINC000587230149 HF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(F)cc(F)c3[nH]2)c1 ZINC000587230178 HF Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000587230395 HF Annotated Mild COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(Cl)ncc3[nH]2)c1 ZINC000587230879 HF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(F)c(F)c(F)c3[nH]2)c1 ZINC000587230907 HF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cncc(Cl)c3[nH]2)c1 ZINC000587230952 HF Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000587231243 HF Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000587231477 HF Annotated Anodyne N#Cc1nc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2nc1C#N ZINC000587231488 HF Annotated Mild CN(C)S(=O)(=O)c1cccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c12 ZINC000587232738 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587232787 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 ZINC000587232807 HF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587232862 HF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CCC(=O)CC1 ZINC000587233707 HF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(S(C)(=O)=O)cc3[nH]2)CCC(=O)CC1 ZINC000587234363 HF Annotated Anodyne CNC(=O)[C@H]1C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587234484 HF Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587234495 HF Annotated Anodyne CNC(=O)[C@H]1C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587234497 HF Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587234498 HF Annotated Anodyne CNC(=O)[C@H]1C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587234713 HF Annotated Anodyne CNC(=O)[C@H]1C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587234714 HF Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587234715 HF Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587234716 HF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)CCC(=O)CC1 ZINC000587234815 HF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3nc(Br)c[nH]c-3n2)CCC(=O)CC1 ZINC000587235245 HF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(S(C)(=O)=O)cc3[nH]2)CCC(O)CC1 ZINC000587236668 HF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)CCC(O)CC1 ZINC000587236987 HF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)CCC(O)CC1 ZINC000587237063 HF Annotated Anodyne CN(C)C(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2c1 ZINC000587237285 HF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3nc(Br)c[nH]c-3n2)CCC(O)CC1 ZINC000587237821 HF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239676 HF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239677 HF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239678 HF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239679 HF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(O)nc(S)nc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239852 HF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(O)nc(S)nc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239853 HF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(O)nc(S)nc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239854 HF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(O)nc(S)nc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239855 HF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3nc(C#N)c(C#N)nc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240837 HF Annotated Mild CC(C)(C)OC(=O)N[C@]1(c2nc3nc(C#N)c(C#N)nc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240838 HF Annotated Mild CC(C)(C)OC(=O)N[C@]1(c2nc3nc(C#N)c(C#N)nc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240839 HF Annotated Mild CC(C)(C)OC(=O)N[C@]1(c2nc3nc(C#N)c(C#N)nc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240840 HF Annotated Mild Cc1ccccc1CC(=O)Nc1ccc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)c(O)c1 ZINC000587241275 HF Annotated Mild CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000587242062 HF Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000587245332 HF Annotated Anodyne NCCOCCOCCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587245496 HF Annotated Anodyne COC(=O)c1cc2nc(CCOCCOCCN)[nH]c2c(F)c1Nc1ccccc1 ZINC000587245656 HF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c12 ZINC000587245805 HF Annotated Anodyne NCCOCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587245831 HF Annotated Anodyne CC(C)COc1cc2nc(CCOCCOCCN)[nH]c2cc1Br ZINC000587246073 HF Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(I)cnc3[nH]1)C2 ZINC000587246313 HF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(I)cnc3[nH]1)C2 ZINC000587246319 HF Annotated Anodyne NCCOCCOCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587246498 HF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3[nH]c(O)nc(NCc4ccccc4)c-3n1)C2 ZINC000587246631 HF Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3[nH]c(O)nc(NCc4ccccc4)c-3n1)C2 ZINC000587246632 HF Annotated Anodyne NCCOCCOCCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587246682 HF Annotated Anodyne NCCOCCOCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587246774 HF Annotated Anodyne NCCOCCOCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587246787 HF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]1)C2 ZINC000587247629 HF Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]1)C2 ZINC000587247630 HF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2c1 ZINC000587248934 HF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(CC(=O)O)c(N)c3)nc2c1 ZINC000587248962 HF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cc3ccc(C(=O)O)cc3N)nc2c1 ZINC000587249814 HF Annotated Anodyne Nc1cc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c2ccccc2c1 ZINC000587251347 HF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2c1 ZINC000587252387 HF Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3cccnc3N)[nH]c2c1 ZINC000587253253 HF Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4cccnc4N)[nH]c3c2)cc1 ZINC000587253399 HF Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cnc(N)nc5O)[nH]c4c3)o2)cc1 ZINC000587253890 HF Annotated Anodyne COc1cncc(N)c1-c1nc2c(Cl)ncc(I)c2[nH]1 ZINC000587254431 HF Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3ccc(N)nc3)[nH]c2c1 ZINC000587254809 HF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CC[C@@H](N)C(=O)OC(C)(C)C)nc2c1 ZINC000587256058 HF Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587256367 HF Annotated Clean CC(C)(C)OC(=O)[C@H](N)CCc1nc2cccc(I)c2[nH]1 ZINC000587256705 HF Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(I)cc2[nH]1 ZINC000587256914 HF Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587258615 HF Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587258719 HF Annotated Anodyne COC(=O)CC[C@H](N)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587258732 HF Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587259210 HF Annotated Anodyne COC(=O)c1cc2nc([C@@H](N)CCCNC(N)=O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587259295 HF Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3ccc(I)cc3[nH]2)c1 ZINC000587259820 HF Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cccc(I)c3[nH]2)c1 ZINC000587259948 HF Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000587260012 HF Annotated Bother NC(=O)c1cccc(C[C@H](N)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000587260038 HF Annotated Bother N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587260349 HF Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587260468 HF Annotated Anodyne COC(=O)CC[C@H](N)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587260473 HF Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587260480 HF Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](N)CCCNC(N)=O)[nH]c4c3)o2)cc1 ZINC000587260506 HF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])nc2c1 ZINC000587260587 HF Annotated Bother COC(=O)c1cc(Br)c2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])nc2c1 ZINC000587260589 HF Annotated Bother COC(=O)c1cc(Br)c2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])nc2c1 ZINC000587260590 HF Annotated Bother COC(=O)c1cc(Br)c2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])nc2c1 ZINC000587260591 HF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587260669 HF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587260670 HF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587260671 HF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587260672 HF Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587261046 HF Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587261047 HF Annotated Bother COc1cc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261198 HF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(I)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261268 HF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(I)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261269 HF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(I)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261270 HF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(I)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261271 HF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)[C@@H]1C[N+](=O)[O-] ZINC000587261312 HF Annotated Clean C[C@@H]1CC(=O)[C@H](Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)[C@H]1C[N+](=O)[O-] ZINC000587261313 HF Annotated Clean C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)[C@H]1C[N+](=O)[O-] ZINC000587261314 HF Annotated Clean C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)[C@@H]1C[N+](=O)[O-] ZINC000587261315 HF Annotated Clean C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261358 HF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261359 HF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261360 HF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261361 HF Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587261564 HF Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587261565 HF Annotated Bother COCCNc1ccc(-c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261675 HF Annotated Bother O=CC(C=O)c1ccc(-c2nc3c(F)cnc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261681 HF Annotated Mild COc1cc(OCc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262043 HF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587262172 HF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587262173 HF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587262174 HF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587262175 HF Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1 ZINC000587262515 HF Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 ZINC000587262885 HF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(I)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263217 HF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(I)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263218 HF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(I)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263219 HF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(I)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263220 HF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587263497 HF Annotated Mild C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587263498 HF Annotated Mild C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587263499 HF Annotated Mild C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587263500 HF Annotated Mild COCCNc1ccc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587264163 HF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264470 HF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264471 HF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264472 HF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264473 HF Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587264478 HF Annotated Bother COCCOc1ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587264651 HF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587264875 HF Annotated Mild C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587264876 HF Annotated Mild C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587264877 HF Annotated Mild C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587264878 HF Annotated Mild C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587264887 HF Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587264888 HF Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587264889 HF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587264890 HF Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587264983 HF Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587264984 HF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587264985 HF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587264987 HF Annotated Bother COc1cc(OC)c2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2c1 ZINC000587265000 HF Annotated Bother COc1cc(OC)c2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2c1 ZINC000587265006 HF Annotated Bother COc1cc(OC)c2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2c1 ZINC000587265008 HF Annotated Bother COc1cc(OC)c2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2c1 ZINC000587265009 HF Annotated Bother CC1=C(c2ccc3nc(Cc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3c2)NNC(=O)C1 ZINC000587265023 HF Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587265061 HF Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587265571 HF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587265572 HF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587265573 HF Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587265605 HF Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587265677 HF Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587265685 HF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587265689 HF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587265697 HF Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587265826 HF Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587266065 HF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587266179 HF Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587266186 HF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587266187 HF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587266188 HF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587266189 HF Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587266191 HF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587266193 HF Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587266198 HF Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587266200 HF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587266202 HF Annotated Bother COCCOc1ccc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587266429 HF Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587266683 HF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587266685 HF Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587266686 HF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587266687 HF Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587266852 HF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587266853 HF Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587266854 HF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587266855 HF Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587266928 HF Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587266933 HF Annotated Bother COc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1OC ZINC000587267160 HF Annotated Bother COc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1OC ZINC000587267161 HF Annotated Bother COc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1OC ZINC000587267162 HF Annotated Bother COc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1OC ZINC000587267163 HF Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267275 HF Annotated Bother COC(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1 ZINC000587267282 HF Annotated Bother COC(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1 ZINC000587267283 HF Annotated Bother COC(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1 ZINC000587267285 HF Annotated Bother COC(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1 ZINC000587267286 HF Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587267399 HF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587267401 HF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587267402 HF Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587267403 HF Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587267470 HF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587267471 HF Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587267472 HF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587267473 HF Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c1 ZINC000587267575 HF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587267655 HF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587267659 HF Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(C(=O)NN)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267714 HF Annotated Reactive CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(I)cnc2[nH]1 ZINC000587267973 HF Annotated Bother Nc1ncc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000587268131 HF Annotated Bother CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587268221 HF Annotated Bother CCCCNS(=O)(=O)c1ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587268222 HF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587268382 HF Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c1 ZINC000587268422 HF Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587268511 HF Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 ZINC000587268671 HF Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12 ZINC000587268685 HF Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(I)cnc2[nH]1 ZINC000587269039 HF Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587269297 HF Annotated Bother N[C@@H](CCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587269387 HF Annotated Bother CCCCNS(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587269497 HF Annotated Bother N[C@@H](CCc1nc2ccnc(Br)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587269558 HF Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 ZINC000587269590 HF Annotated Bother O=C1COc2cc3[nH]c(C4CCN(C(=O)c5ccc([N+](=O)[O-])cc5)CC4)nc3cc2N1 ZINC000587269600 HF Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587270003 HF Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(I)cnc2[nH]1 ZINC000587270007 HF Annotated Bother N[C@@H](CCc1nc2ccc(Br)nc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270089 HF Annotated Bother N[C@@H](CCc1nc2cc(C(F)(F)F)cnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270097 HF Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)nn2)c1 ZINC000587270269 HF Annotated Bother CC1=C(c2ccc3nc(COc4ccc([N+](=O)[O-])cc4C=O)[nH]c3c2)NNC(=O)C1 ZINC000587270396 HF Annotated Bother CN(C)S(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1 ZINC000587270448 HF Annotated Bother N[C@@H](CCc1nc2cc(Br)cnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270498 HF Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(S)nc(S)nc3[nH]2)CC1 ZINC000587270509 HF Annotated Bother N[C@@H](CCc1nc2c(Br)ccnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270794 HF Annotated Bother COC(=O)c1cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2cn1 ZINC000587270814 HF Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587270899 HF Annotated Bother N[C@@H](CCc1nc2cncc(Br)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270905 HF Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587272752 HF Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)n1 ZINC000587272870 HF Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587272911 HF Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587272912 HF Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587273176 HF Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000587273199 HF Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000587273200 HF Annotated Bother COC(=O)c1cc(Br)c2[nH]c(CCCn3ccc([N+](=O)[O-])n3)nc2c1 ZINC000587273482 HF Annotated Bother O=C(c1n[nH]cc1Br)c1c(CO)oc2cc(Br)cnc12 ZINC000587273575 HF Annotated Anodyne Cn1cc(Br)c(C(=O)c2c(CO)oc3cc(Br)cnc23)n1 ZINC000587274041 HF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cn3c([N+](=O)[O-])cnc3C)nc2c1 ZINC000587274183 HF Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587274371 HF Annotated Bother O=C(CN1C(=O)c2ccccc2C1=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587274701 HF Annotated Anodyne Cn1nc([N+](=O)[O-])cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587274755 HF Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587274916 HF Annotated Bother CCCCNS(=O)(=O)c1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000587274983 HF Annotated Bother CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000587274984 HF Annotated Bother O=C(c1ccc(N2CCOCC2)nc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275620 HF Annotated Anodyne C[C@H](c1nc2c(I)cnc(Cl)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276256 HF Annotated Bother C[C@@H](c1nc2c(I)cnc(Cl)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276257 HF Annotated Bother O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000587276697 HF Annotated Anodyne CS(=O)(=O)c1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 ZINC000587276730 HF Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 ZINC000587276914 HF Annotated Anodyne O=C(c1ccc(S(=O)(=O)F)cc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276950 HF Annotated Unstable O=C1OC(=O)c2cc(C(=O)c3c(CO)oc4cc(Br)cnc34)ccc21 ZINC000587277053 HF Annotated Reactive COc1cc2nc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)c(=O)n(C)c2cc1OC ZINC000587280147 HF Annotated Bother COC(=O)C(=O)[C@H](Cl)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323477 HF Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323478 HF Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323479 HF Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323480 HF Annotated Reactive CCOC(=O)[C@H](NC(C)=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337105 HF Annotated Anodyne CCOC(=O)[C@H](NC(C)=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337111 HF Annotated Anodyne CCOC(=O)[C@H](NC(C)=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337120 HF Annotated Anodyne CCOC(=O)[C@H](NC(C)=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337123 HF Annotated Anodyne CN(C)C(=O)CN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338146 HF Annotated Anodyne CN(C)C(=O)CN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338150 HF Annotated Anodyne CC1=C[C@]2(CC(=O)N1CC(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340335 HF Annotated Anodyne CC1=C[C@@]2(CC(=O)N1CC(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587340336 HF Annotated Anodyne CC1=C[C@]2(CC(=O)N1CC(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340337 HF Annotated Anodyne CC1=C[C@@]2(CC(=O)N1CC(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587340338 HF Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(C(N)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342249 HF Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(C(N)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342252 HF Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(C(N)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342254 HF Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(C(N)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342255 HF Annotated Anodyne COC(=O)[C@@H]1N2CCC(CC2)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344474 HF Annotated Anodyne COC(=O)[C@@H]1N2CCC(CC2)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344477 HF Annotated Anodyne COC(=O)[C@@H]1N2CCC(CC2)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344480 HF Annotated Anodyne COC(=O)[C@@H]1N2CCC(CC2)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344485 HF Annotated Anodyne COC(=O)Cn1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nn1 ZINC000587345144 HF Annotated Anodyne COC(=O)Cn1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nn1 ZINC000587345146 HF Annotated Anodyne COC(=O)Cn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nn1 ZINC000587345148 HF Annotated Anodyne COC(=O)Cn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nn1 ZINC000587345151 HF Annotated Anodyne CC(=O)OCC1(COC(C)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346255 HF Annotated Anodyne CC(=O)OCC1(COC(C)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346256 HF Annotated Anodyne O=C(O)C1=C2CCCN2C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347361 HF Annotated Anodyne O=C(O)C1=C2CCCN2C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347364 HF Annotated Anodyne COC(=O)CC1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347516 HF Annotated Anodyne COC(=O)CC1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347518 HF Annotated Anodyne C[C@H](/C=C/C(=O)O)[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347553 HF Annotated Anodyne C[C@H](/C=C/C(=O)O)[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347555 HF Annotated Anodyne C[C@H](/C=C/C(=O)O)[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347557 HF Annotated Anodyne C[C@H](/C=C/C(=O)O)[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347559 HF Annotated Anodyne O=C(O)C1=C2CCCN2C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347622 HF Annotated Anodyne O=C(O)C1=C2CCCN2C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347624 HF Annotated Anodyne COC(=O)CC[C@@]1(C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349449 HF Annotated Anodyne COC(=O)CC[C@]1(C(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349455 HF Annotated Anodyne COC(=O)CC[C@]1(C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349459 HF Annotated Anodyne COC(=O)CC[C@@]1(C(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349461 HF Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)[C@@H]1O ZINC000587350550 HF Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)[C@H]1O ZINC000587350552 HF Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)[C@H]1O ZINC000587350553 HF Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)[C@H](O)C(=O)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587350555 HF Annotated Anodyne CCOC(=O)C1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351031 HF Annotated Anodyne CCOC(=O)C1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351033 HF Annotated Anodyne COC(=O)C[C@@]1(C(OC)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351479 HF Annotated Anodyne COC(=O)C[C@]1(C(OC)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351503 HF Annotated Anodyne COC(=O)C[C@]1(C(OC)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351507 HF Annotated Anodyne COC(=O)C[C@@]1(C(OC)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351514 HF Annotated Anodyne O=C(O)[C@H]1C[C@]2(C[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587353146 HF Annotated Anodyne O=C1c2ccc(O)cc2OC2(C[C@@H](C(=O)O)[C@H](C(=O)O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587353150 HF Annotated Anodyne O=C(O)[C@@H]1CC2(C[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587353152 HF Annotated Anodyne O=C(O)[C@H]1C[C@]2(C[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587353154 HF Annotated Anodyne O=C1C(=O)[C@H](O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587357506 HF Annotated Clean O=C1C(=O)[C@H](O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587357507 HF Annotated Clean O=C1C(=O)[C@H](O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587357509 HF Annotated Clean O=C1C(=O)[C@H](O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587357511 HF Annotated Clean O=C1c2ccc(O)cc2O[C@@](c2ccc3c(c2)OCO3)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587359293 HF Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc3c(c2)OCO3)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587359295 HF Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc3c(c2)OCO3)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587359297 HF Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc3c(c2)OCO3)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587359301 HF Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(N4CCOCC4)c(Br)c3)nc2n1 ZINC000587365594 HF Annotated Anodyne CCOC(=O)Cc1cc2c(O)nc(O)nc2nc1-c1ccccc1Br ZINC000587365642 HF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1Cc2cc3c(O)nc(O)nc3nc2[C@H](Br)C1 ZINC000587365931 HF Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1Cc2cc3c(O)nc(O)nc3nc2[C@@H](Br)C1 ZINC000587365943 HF Annotated Reactive CC(C)(C)OC(=O)N[C@H]1Cc2cc3c(O)nc(O)nc3nc2[C@H](Br)C1 ZINC000587365946 HF Annotated Reactive CC(C)(C)OC(=O)N[C@H]1Cc2cc3c(O)nc(O)nc3nc2[C@@H](Br)C1 ZINC000587365947 HF Annotated Reactive O=C(O)[C@]1(c2ccc(Br)cc2)CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587365992 HF Annotated Anodyne O=C(O)[C@@]1(c2ccc(Br)cc2)CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587365999 HF Annotated Anodyne Cc1c(-c2ccc3c(O)nc(O)nc3n2)nnn1Cc1ccc(Br)cc1 ZINC000587366128 HF Annotated Anodyne O=C(c1cc(-c2ccc3c(O)nc(O)nc3n2)c([N+](=O)[O-])[nH]1)C(Cl)(Cl)Cl ZINC000587366260 HF Annotated Bother COc1cc2c(cc1I)Cc1cc3c(O)nc(O)nc3nc1-2 ZINC000587369438 HF Annotated Anodyne COc1ccc(I)c2c1-c1nc3nc(O)nc(O)c3cc1C2 ZINC000587369665 HF Annotated Anodyne COc1ccc2c(c1I)CCc1cc3c(O)nc(O)nc3nc1-2 ZINC000587369688 HF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1cc(I)ccc1OCC3 ZINC000587370179 HF Annotated Anodyne CS(=O)(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587370506 HF Annotated Anodyne CS(=O)(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587370510 HF Annotated Anodyne CCOC(=O)c1cc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)on1 ZINC000587371769 HF Annotated Reactive CCOC(=O)c1cc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)on1 ZINC000587371772 HF Annotated Reactive CC(=O)Nc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)nn1 ZINC000587371773 HF Annotated Reactive CC(=O)Nc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)nn1 ZINC000587371775 HF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(O)c(C(N)=O)c1)O2 ZINC000587372166 HF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(O)c(C(N)=O)c1)O2 ZINC000587372178 HF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)CBr)(c1ccccc1)O2 ZINC000587372482 HF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CNC(=O)CBr)(c1ccccc1)O2 ZINC000587372486 HF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(Br)cc(C(=O)O)cc21 ZINC000587372675 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(Br)cc(C(=O)O)cc21 ZINC000587372676 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)N(c3cccc(Cl)c3)N=C1C(=O)O)O2 ZINC000587379399 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)N(c3cccc(Cl)c3)N=C1C(=O)O)O2 ZINC000587379401 HF Annotated Anodyne Nc1nc([C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cs1 ZINC000587379683 HF Annotated Anodyne Nc1nc([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cs1 ZINC000587379685 HF Annotated Anodyne Nc1nc([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cs1 ZINC000587379687 HF Annotated Anodyne Nc1nc([C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cs1 ZINC000587379689 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1ccc(C(F)(F)F)nc1)O2 ZINC000587380774 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1ccc(C(F)(F)F)nc1)O2 ZINC000587380775 HF Annotated Anodyne COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CF)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381492 HF Annotated Anodyne COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CF)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381493 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C(O)(O)C(F)(F)F)=COc2ccccc21 ZINC000587383436 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(C(O)(O)C(F)(F)F)=COc2ccccc21 ZINC000587383439 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C#N)c(=O)n(C)c1)(c1cc(F)ccc1O)O2 ZINC000587384112 HF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C#N)c(=O)n(C)c1)(c1cc(F)ccc1O)O2 ZINC000587384113 HF Annotated Mild COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384862 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384863 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(=O)NC[C@H]3CCCO3)cc1)O2 ZINC000587385367 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(=O)NC[C@@H]3CCCO3)cc1)O2 ZINC000587385368 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(=O)NC[C@H]3CCCO3)cc1)O2 ZINC000587385371 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(=O)NC[C@@H]3CCCO3)cc1)O2 ZINC000587385373 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)CCC(=O)O)(c1ccccc1F)O2 ZINC000587385869 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CNC(=O)CCC(=O)O)(c1ccccc1F)O2 ZINC000587385881 HF Annotated Anodyne COC(=O)C[C@@]1(CNC(=O)OCc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385987 HF Annotated Anodyne COC(=O)C[C@]1(CNC(=O)OCc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385989 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(I)ccc21 ZINC000587386911 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(I)ccc21 ZINC000587386915 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)CCC(=O)O)(c1ccc(F)cc1F)O2 ZINC000587386961 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CNC(=O)CCC(=O)O)(c1ccc(F)cc1F)O2 ZINC000587386968 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ccc(I)cc21 ZINC000587387248 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ccc(I)cc21 ZINC000587387249 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(I)cccc21 ZINC000587387396 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(I)cccc21 ZINC000587387398 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCC(=O)NC[C@@H]1CCCO1)O2 ZINC000587387929 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCC(=O)NC[C@H]1CCCO1)O2 ZINC000587387930 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCC(=O)NC[C@H]1CCCO1)O2 ZINC000587387931 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCC(=O)NC[C@@H]1CCCO1)O2 ZINC000587387932 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cccc(I)c21 ZINC000587388032 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cccc(I)c21 ZINC000587388033 HF Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])cc1OCC(=O)O ZINC000587389193 HF Annotated Bother COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])cc1OCC(=O)O ZINC000587389200 HF Annotated Bother CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1nnnn1C ZINC000587389417 HF Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1nnnn1C ZINC000587389423 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC1OCCO1)([C@@H](C)NC(=O)OC(C)(C)C)O2 ZINC000587389587 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC1OCCO1)([C@@H](C)NC(=O)OC(C)(C)C)O2 ZINC000587389588 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2c(N)ccc(O)c2C(=O)c2c(O)ccc(N)c21 ZINC000587389617 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2c(O)ccc(N)c2C(=O)c2c(N)ccc(O)c21 ZINC000587389941 HF Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C1CC1)C(=O)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390025 HF Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C1CC1)C(=O)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390028 HF Annotated Anodyne COc1cc([N+](=O)[O-])cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC(=O)O ZINC000587390849 HF Annotated Bother COc1cc([N+](=O)[O-])cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC(=O)O ZINC000587390850 HF Annotated Bother CCOC(=O)C[C@@]1(CN2C(=O)c3ccccc3C2=O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391792 HF Annotated Anodyne CCOC(=O)C[C@]1(CN2C(=O)c3ccccc3C2=O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391814 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)nc1CN1C(=O)c3ccccc3C1=O)O2 ZINC000587392006 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1CN1C(=O)c3ccccc3C1=O)O2 ZINC000587392008 HF Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587392655 HF Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587392656 HF Annotated Anodyne CCOC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392766 HF Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392767 HF Annotated Anodyne CCOC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392768 HF Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392770 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(=O)N3CCC(O)CC3)cc1)O2 ZINC000587392863 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(=O)N3CCC(O)CC3)cc1)O2 ZINC000587392867 HF Annotated Anodyne COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392999 HF Annotated Anodyne COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587393001 HF Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587393101 HF Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587393107 HF Annotated Anodyne COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587393108 HF Annotated Anodyne COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587393110 HF Annotated Anodyne CCC(C)(C)[C@@]1(C(=O)N2CCC[C@H]2C(=O)OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393296 HF Annotated Anodyne CCC(C)(C)[C@]1(C(=O)N2CCC[C@H]2C(=O)OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393297 HF Annotated Anodyne COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587394299 HF Annotated Anodyne COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587394300 HF Annotated Anodyne COC(=O)[C@@]1(C)C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CN1C(=O)OC(C)(C)C ZINC000587394451 HF Annotated Anodyne COC(=O)[C@@]1(C)C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CN1C(=O)OC(C)(C)C ZINC000587394452 HF Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587394516 HF Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587394517 HF Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CN1C(=O)OC(C)(C)C ZINC000587394732 HF Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CN1C(=O)OC(C)(C)C ZINC000587394733 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)O2 ZINC000587395208 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)O2 ZINC000587395209 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)O2 ZINC000587395210 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)O2 ZINC000587395211 HF Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395458 HF Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2ccccc2)C(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395459 HF Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395460 HF Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2ccccc2)C(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395461 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCC(=O)N1CCC(O)CC1)O2 ZINC000587396144 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCC(=O)N1CCC(O)CC1)O2 ZINC000587396145 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C2CN3CCN(C2)CC1(Cc1ccccc1)C3 ZINC000587396333 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C2CN3CCN(C2)CC1(Cc1ccccc1)C3 ZINC000587396334 HF Annotated Anodyne COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 ZINC000587396404 HF Annotated Anodyne COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 ZINC000587396405 HF Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 ZINC000587396406 HF Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 ZINC000587396407 HF Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396676 HF Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396678 HF Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396680 HF Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396682 HF Annotated Anodyne COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396725 HF Annotated Anodyne COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396727 HF Annotated Anodyne COC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396728 HF Annotated Anodyne COC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396730 HF Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396812 HF Annotated Anodyne CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396813 HF Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396814 HF Annotated Anodyne CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396817 HF Annotated Anodyne COC(=O)[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396890 HF Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396894 HF Annotated Anodyne CCOC(=O)N1CC[C@](C)(N2CCC3(CC2)CC(=O)c2cc(C)cc(N)c2O3)C1 ZINC000587397317 HF Annotated Anodyne CCOC(=O)N1CC[C@@](C)(N2CCC3(CC2)CC(=O)c2cc(C)cc(N)c2O3)C1 ZINC000587397318 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@]13CCNC3)O2 ZINC000587397445 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@]13CCNC3)O2 ZINC000587397448 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@]13CCNC3)O2 ZINC000587397451 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C[C@]13CCNC3)O2 ZINC000587397453 HF Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587397462 HF Annotated Anodyne COC(=O)[C@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587397465 HF Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587397470 HF Annotated Anodyne COC(=O)[C@H]1[C@@H]2CC[C@@H](N2C(=O)OC(C)(C)C)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587397473 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-n3cc(C#N)c(O)nc3=O)cc1)O2 ZINC000587397480 HF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-n3cc(C#N)c(O)nc3=O)cc1)O2 ZINC000587397481 HF Annotated Mild COC(CNC(=O)c1[nH]c(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C)OC ZINC000587397550 HF Annotated Anodyne COC(CNC(=O)c1[nH]c(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C)OC ZINC000587397551 HF Annotated Anodyne CCN(CC)C(=O)CN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587398003 HF Annotated Anodyne CCN(CC)C(=O)CN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587398007 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(OC)ccc2OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398717 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(OC)ccc2OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398721 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399146 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399148 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCC(=O)N3CCOCC3)cc1)O2 ZINC000587399657 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCC(=O)N3CCOCC3)cc1)O2 ZINC000587399658 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401067 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401068 HF Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C[C@@H]2C[C@@H]1C(=O)O ZINC000587401211 HF Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C[C@@H]2C[C@H]1C(=O)O ZINC000587401212 HF Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C[C@H]2C[C@H]1C(=O)O ZINC000587401214 HF Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C[C@H]2C[C@@H]1C(=O)O ZINC000587401216 HF Annotated Anodyne COC(=O)[C@]1(C)C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CN1C(=O)OC(C)(C)C ZINC000587401645 HF Annotated Anodyne COC(=O)[C@]1(C)C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CN1C(=O)OC(C)(C)C ZINC000587401646 HF Annotated Anodyne COC(=O)[C@H]1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CN1C(=O)OC(C)(C)C ZINC000587402375 HF Annotated Anodyne COC(=O)[C@H]1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CN1C(=O)OC(C)(C)C ZINC000587402376 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21 ZINC000587403665 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21 ZINC000587403669 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2c(O)cccc2C(=O)c2cc(CO)cc(O)c21 ZINC000587404138 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2c(O)cccc2C(=O)c2cc(CO)cc(O)c21 ZINC000587404139 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(O)c(O)c2C(=O)c2c(O)ccc(O)c21 ZINC000587405859 HF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(O)c(O)c2C(=O)c2c(O)ccc(O)c21 ZINC000587405870 HF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2c(ccc(O)c2O)C(=O)c2c(O)ccc(O)c21 ZINC000587405941 HF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2c(ccc(O)c2O)C(=O)c2c(O)ccc(O)c21 ZINC000587405944 HF Annotated Clean Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@]4(CC(=O)c5cc(C)cc(N)c5O4)[C@H]3C2)cc1 ZINC000587407946 HF Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)C[C@@]32CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587407959 HF Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H](C2)C[C@]32CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587407962 HF Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]4(CC(=O)c5cc(C)cc(N)c5O4)[C@H]3C2)cc1 ZINC000587407965 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCOCC3)cc1S(C)(=O)=O)O2 ZINC000587407978 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCOCC3)cc1S(C)(=O)=O)O2 ZINC000587407987 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc(S(C)(=O)=O)cc1)O2 ZINC000587408268 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc(S(C)(=O)=O)cc1)O2 ZINC000587408275 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(CCNS(C)(=O)=O)cc1)O2 ZINC000587408718 HF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(CCNS(C)(=O)=O)cc1)O2 ZINC000587408729 HF Annotated Reactive CC[C@@]1(c2c(C)nn(CCS(C)(=O)=O)c2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408750 HF Annotated Anodyne CC[C@]1(c2c(C)nn(CCS(C)(=O)=O)c2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408754 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCOCC3)c(S(C)(=O)=O)c1)O2 ZINC000587409034 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCOCC3)c(S(C)(=O)=O)c1)O2 ZINC000587409035 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)CCN3S(C)(=O)=O)O2 ZINC000587409042 HF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)CCN3S(C)(=O)=O)O2 ZINC000587409046 HF Annotated Reactive COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587409970 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(C)(=O)=O)cc1N1CCOCC1)O2 ZINC000587410347 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(C)(=O)=O)cc1N1CCOCC1)O2 ZINC000587410348 HF Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410501 HF Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410502 HF Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1C[S@@](=O)CC(=O)O ZINC000587411384 HF Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1C[S@](=O)CC(=O)O ZINC000587411386 HF Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1C[S@@](=O)CC(=O)O ZINC000587411387 HF Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1C[S@](=O)CC(=O)O ZINC000587411389 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](CNC(=O)CBr)(c1ccccc1)[C@@H](C2)C3=O ZINC000587411633 HF Annotated Reactive COc1cc2c3c(c1)O[C@@](CNC(=O)CBr)(c1ccccc1)[C@@H](C2)C3=O ZINC000587411634 HF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn([C@@H]3CCS(=O)(=O)C3)c1Cl)O2 ZINC000587412218 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn([C@@H]3CCS(=O)(=O)C3)c1Cl)O2 ZINC000587412227 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn([C@H]3CCS(=O)(=O)C3)c1Cl)O2 ZINC000587412230 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn([C@H]3CCS(=O)(=O)C3)c1Cl)O2 ZINC000587412232 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(C(=O)CBr)[C@@H](C2)C3=O ZINC000587413237 HF Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(C(=O)CBr)[C@@H](C2)C3=O ZINC000587413238 HF Annotated Reactive COc1cc2c3c(c1)O[C@](C(=O)O)(c1ccc(Br)cc1O)[C@@H](C2)C3=O ZINC000587413344 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccc(Br)cc1O)[C@@H](C2)C3=O ZINC000587413346 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)NCCC(=O)O)(c1cccs1)O2 ZINC000587413917 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)NCCC(=O)O)(c1cccs1)O2 ZINC000587413920 HF Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2cccs2)C(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587414691 HF Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2cccs2)C(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587414692 HF Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2cccs2)C(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587414693 HF Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2cccs2)C(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587414694 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(O)c(C(N)=O)c1)[C@@H](C2)C3=O ZINC000587414813 HF Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(O)c(C(N)=O)c1)[C@@H](C2)C3=O ZINC000587414815 HF Annotated Reactive CCOC(=O)c1cc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)on1 ZINC000587414817 HF Annotated Reactive CCOC(=O)c1cc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)on1 ZINC000587414820 HF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCSCC3)nc3ccccn3c1=O)O2 ZINC000587415313 HF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCSCC3)nc3ccccn3c1=O)O2 ZINC000587415315 HF Annotated Anodyne CCOC(=O)N1CC[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](Br)C1 ZINC000587417404 HF Annotated Reactive CCOC(=O)N1CC[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H](Br)C1 ZINC000587417408 HF Annotated Reactive CCOC(=O)N1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](Br)C1 ZINC000587417410 HF Annotated Reactive CCOC(=O)N1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H](Br)C1 ZINC000587417412 HF Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)([C@H](C#N)C(=O)NCc1ccccc1)[C@@H](C2)C3=O ZINC000587417740 HF Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)([C@@H](C#N)C(=O)NCc1ccccc1)[C@@H](C2)C3=O ZINC000587417741 HF Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)([C@H](C#N)C(=O)NCc1ccccc1)[C@@H](C2)C3=O ZINC000587417742 HF Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)([C@@H](C#N)C(=O)NCc1ccccc1)[C@@H](C2)C3=O ZINC000587417743 HF Annotated Reactive COc1cc2c3c(c1)O[C@@]1(CCNC(=O)c4[nH]c(Br)cc41)[C@@H](C2)C3=O ZINC000587418220 HF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCNC(=O)c4[nH]c(Br)cc41)[C@@H](C2)C3=O ZINC000587418221 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4nnnn4C)c(Cl)c1)[C@@H](C2)C3=O ZINC000587418534 HF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCc4nnnn4C)c(Cl)c1)[C@@H](C2)C3=O ZINC000587418536 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)([C@@H]1CCCN1C(=O)C(F)(F)F)[C@@H](C2)C3=O ZINC000587420211 HF Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)([C@@H]1CCCN1C(=O)C(F)(F)F)[C@@H](C2)C3=O ZINC000587420228 HF Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)([C@H]1CCCN1C(=O)C(F)(F)F)[C@@H](C2)C3=O ZINC000587420232 HF Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)([C@H]1CCCN1C(=O)C(F)(F)F)[C@@H](C2)C3=O ZINC000587420235 HF Annotated Reactive COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CF)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421699 HF Annotated Anodyne COC(=O)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CF)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421710 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(OCC(N)=O)c(OC)c1)[C@@H](C2)C3=O ZINC000587422443 HF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(OCC(N)=O)c(OC)c1)[C@@H](C2)C3=O ZINC000587422453 HF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCN4C(=O)C(CCCl)=C(C)N[C@H]41)[C@@H](C2)C3=O ZINC000587422491 HF Annotated Reactive COc1cc2c3c(c1)O[C@@]1(CCCN4C(=O)C(CCCl)=C(C)N[C@@H]41)[C@@H](C2)C3=O ZINC000587422492 HF Annotated Reactive COc1cc2c3c(c1)O[C@]1(CCCN4C(=O)C(CCCl)=C(C)N[C@@H]41)[C@@H](C2)C3=O ZINC000587422494 HF Annotated Reactive COc1cc2c3c(c1)O[C@@]1(CCCN4C(=O)C(CCCl)=C(C)N[C@H]41)[C@@H](C2)C3=O ZINC000587422497 HF Annotated Reactive COc1cc2c3c(c1)O[C@]1(C(C(O)(O)C(F)(F)F)=COc4ccccc41)[C@@H](C2)C3=O ZINC000587423697 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(C(O)(O)C(F)(F)F)=COc4ccccc41)[C@@H](C2)C3=O ZINC000587423711 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(F)ccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424967 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(F)ccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424968 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(F)cccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424999 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(F)cccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587425000 HF Annotated Anodyne CCOC(=O)C[C@]1(CNC(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426671 HF Annotated Anodyne CCOC(=O)C[C@@]1(CNC(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426674 HF Annotated Anodyne CCOC(=O)CCC(=O)NC[C@@]1(C(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426677 HF Annotated Anodyne CCOC(=O)CCC(=O)NC[C@]1(C(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426683 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426802 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426803 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC1OCCO1)([C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587426892 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](CC1OCCO1)([C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587426893 HF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(I)cnc1N)[C@@H](C2)C3=O ZINC000587426982 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(I)cnc1N)[C@@H](C2)C3=O ZINC000587426992 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1nn(C)cc1I)[C@@H](C2)C3=O ZINC000587427427 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1nn(C)cc1I)[C@@H](C2)C3=O ZINC000587427435 HF Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C#N)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428269 HF Annotated Mild CCOC(=O)C(=O)C[C@]1(c2ccc(C#N)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428273 HF Annotated Mild COc1cc2c3c(c1)O[C@](CO)(c1ccc(I)cc1)[C@@H](C2)C3=O ZINC000587428538 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CO)(c1ccc(I)cc1)[C@@H](C2)C3=O ZINC000587428539 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(I)cnn1C)[C@@H](C2)C3=O ZINC000587428669 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(I)cnn1C)[C@@H](C2)C3=O ZINC000587428670 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(O)c(I)c1)[C@@H](C2)C3=O ZINC000587428972 HF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(O)c(I)c1)[C@@H](C2)C3=O ZINC000587428973 HF Annotated Anodyne COC(=O)C[C@@]1(CCNC(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429156 HF Annotated Anodyne COC(=O)C[C@]1(CCNC(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429157 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](C)NC(=O)CCC(=O)O)[C@@H](C2)C3=O ZINC000587429160 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](C)NC(=O)CCC(=O)O)[C@@H](C2)C3=O ZINC000587429161 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](C)NC(=O)CCC(=O)O)[C@@H](C2)C3=O ZINC000587429162 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](C)NC(=O)CCC(=O)O)[C@@H](C2)C3=O ZINC000587429163 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cn(C)c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430035 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cn(C)c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430036 HF Annotated Anodyne CCOC(=O)c1cnn(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cn2)c1 ZINC000587430352 HF Annotated Anodyne CCOC(=O)c1cnn(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cn2)c1 ZINC000587430359 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(N)=O)(c1c(C)nn(-c4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587430421 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](C(N)=O)(c1c(C)nn(-c4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587430422 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@@H](C(=O)O)n1cncn1)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587430747 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@@H](C(=O)O)n1cncn1)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587430748 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@H](C(=O)O)n1cncn1)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587430749 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@H](C(=O)O)n1cncn1)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587430750 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OCC(=O)NC[C@@H]1CCCO1)[C@@H](C2)C3=O ZINC000587432075 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OCC(=O)NC[C@H]1CCCO1)[C@@H](C2)C3=O ZINC000587432078 HF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCC(=O)NC[C@H]1CCCO1)[C@@H](C2)C3=O ZINC000587432081 HF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCC(=O)NC[C@@H]1CCCO1)[C@@H](C2)C3=O ZINC000587432083 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)NC[C@@H]4CCCO4)cc1)[C@@H](C2)C3=O ZINC000587432421 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)NC[C@H]4CCCO4)cc1)[C@@H](C2)C3=O ZINC000587432422 HF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)NC[C@@H]4CCCO4)cc1)[C@@H](C2)C3=O ZINC000587432423 HF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)NC[C@H]4CCCO4)cc1)[C@@H](C2)C3=O ZINC000587432424 HF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])cc(OC)c1OCC(=O)O)[C@@H](C2)C3=O ZINC000587432719 HF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])cc(OC)c1OCC(=O)O)[C@@H](C2)C3=O ZINC000587432720 HF Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc(CC(N)=O)c1N)[C@@H](C2)C3=O ZINC000587433568 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccc(CC(N)=O)c1N)[C@@H](C2)C3=O ZINC000587433569 HF Annotated Anodyne COC(=O)C(=NNc1ccccc1OC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433767 HF Annotated Mild COC(=O)C(=NNc1ccccc1OC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433768 HF Annotated Mild COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OCC(=O)O)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434032 HF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OCC(=O)O)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434033 HF Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1)[C@@H](C2)C3=O ZINC000587434430 HF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1)[C@@H](C2)C3=O ZINC000587434431 HF Annotated Bother COc1cc2c3c(c1)O[C@]1(CC[C@@H]1OC1CN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587434533 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@H]1OC1CN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587434534 HF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H]1OC1CN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587434535 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@@H]1OC1CN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587434536 HF Annotated Anodyne CCN(CC)C(=O)CN1C(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587434751 HF Annotated Anodyne CCN(CC)C(=O)CN1C(=O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587434752 HF Annotated Anodyne COC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587434977 HF Annotated Anodyne COC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587434981 HF Annotated Anodyne COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587434982 HF Annotated Anodyne COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587434983 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(N4C[C@@H](C(=O)O)CC4=O)c1)[C@@H](C2)C3=O ZINC000587435236 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(N4C[C@H](C(=O)O)CC4=O)c1)[C@@H](C2)C3=O ZINC000587435239 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(N4C[C@@H](C(=O)O)CC4=O)c1)[C@@H](C2)C3=O ZINC000587435242 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(N4C[C@H](C(=O)O)CC4=O)c1)[C@@H](C2)C3=O ZINC000587435244 HF Annotated Anodyne COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435373 HF Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435374 HF Annotated Anodyne COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@]2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435376 HF Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435378 HF Annotated Anodyne CCC(C)(C)[C@]1(C(=O)N2CCC[C@H]2C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435421 HF Annotated Anodyne CCC(C)(C)[C@@]1(C(=O)N2CCC[C@H]2C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435422 HF Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435694 HF Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435695 HF Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435696 HF Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435697 HF Annotated Anodyne CCC(C)(C)[C@]1(C(=O)N2CCC[C@H]2C(=O)O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436003 HF Annotated Anodyne CCC(C)(C)[C@@]1(C(=O)N2CCC[C@H]2C(=O)O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436004 HF Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587436055 HF Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587436056 HF Annotated Anodyne COC(=O)[C@]1(C)C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587436217 HF Annotated Anodyne COC(=O)[C@@]1(C)C[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587436218 HF Annotated Anodyne COC(=O)[C@]1(C)C[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587436219 HF Annotated Anodyne COC(=O)[C@@]1(C)C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587436220 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1)[C@@H](C2)C3=O ZINC000587436662 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C1)[C@@H](C2)C3=O ZINC000587436666 HF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C1)[C@@H](C2)C3=O ZINC000587436667 HF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1)[C@@H](C2)C3=O ZINC000587436668 HF Annotated Anodyne COc1cc2c3c(c1)OC1(C[C@H]4COC[C@@H](C1)N4C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587437227 HF Annotated Anodyne COC(=O)[C@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587437256 HF Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587437257 HF Annotated Anodyne COC(=O)[C@H]1CC[C@@]2(CN1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587437258 HF Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587437259 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c[nH]c(C(=O)N4CCC[C@H](CO)C4)c1)[C@@H](C2)C3=O ZINC000587437701 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c[nH]c(C(=O)N4CCC[C@@H](CO)C4)c1)[C@@H](C2)C3=O ZINC000587437702 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c[nH]c(C(=O)N4CCC[C@H](CO)C4)c1)[C@@H](C2)C3=O ZINC000587437704 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c[nH]c(C(=O)N4CCC[C@@H](CO)C4)c1)[C@@H](C2)C3=O ZINC000587437705 HF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN(C(=O)OCc4ccccc4)C[C@@H]1C#N)[C@@H](C2)C3=O ZINC000587437979 HF Annotated Mild COc1cc2c3c(c1)O[C@]1(CN(C(=O)OCc4ccccc4)C[C@H]1C#N)[C@@H](C2)C3=O ZINC000587437980 HF Annotated Mild COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OCc4ccccc4)C[C@@H]1C#N)[C@@H](C2)C3=O ZINC000587437981 HF Annotated Mild COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OCc4ccccc4)C[C@H]1C#N)[C@@H](C2)C3=O ZINC000587437982 HF Annotated Mild COC(=O)[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438051 HF Annotated Anodyne COC(=O)[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438052 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587438053 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587438054 HF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587438055 HF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587438056 HF Annotated Anodyne COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438192 HF Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438195 HF Annotated Anodyne COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438197 HF Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438198 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438204 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438206 HF Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438209 HF Annotated Anodyne CCOC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438211 HF Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438212 HF Annotated Anodyne CCOC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438213 HF Annotated Anodyne CCOC(=O)N1CC[C@@](C)(N2CCC3(CC2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)C1 ZINC000587438429 HF Annotated Anodyne CCOC(=O)N1CC[C@](C)(N2CCC3(CC2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)C1 ZINC000587438432 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)CCC1(OC)OC)[C@@H](C2)C3=O ZINC000587438734 HF Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438737 HF Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438740 HF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)CCC1(OC)OC)[C@@H](C2)C3=O ZINC000587438742 HF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C4CN5CCN(C4)CC1(Cc1ccccc1)C5)[C@@H](C2)C3=O ZINC000587439014 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C4CN5CCN(C4)CC1(Cc1ccccc1)C5)[C@@H](C2)C3=O ZINC000587439016 HF Annotated Anodyne COc1cc2c3c(c1)OC1(CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1)[C@@H](C2)C3=O ZINC000587439069 HF Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587439131 HF Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587439132 HF Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587439134 HF Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587439136 HF Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1nnnn1C ZINC000587439417 HF Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCc1nnnn1C ZINC000587439420 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)O)[C@@H](C2)C3=O ZINC000587439948 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)O)[C@@H](C2)C3=O ZINC000587439953 HF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)O)[C@@H](C2)C3=O ZINC000587439957 HF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)O)[C@@H](C2)C3=O ZINC000587439959 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)C/C1=C\N(C)C)[C@@H](C2)C3=O ZINC000587440317 HF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)C/C1=C/N(C)C)[C@@H](C2)C3=O ZINC000587440323 HF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)C/C1=C\N(C)C)[C@@H](C2)C3=O ZINC000587440325 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)C/C1=C/N(C)C)[C@@H](C2)C3=O ZINC000587440327 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@]14CCNC4)[C@@H](C2)C3=O ZINC000587440472 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@]14CCNC4)[C@@H](C2)C3=O ZINC000587440473 HF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@]14CCNC4)[C@@H](C2)C3=O ZINC000587440474 HF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@]14CCNC4)[C@@H](C2)C3=O ZINC000587440475 HF Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440764 HF Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(C[C@H]2C[C@@H]1C(=O)O)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 ZINC000587440984 HF Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(C[C@H]2C[C@H]1C(=O)O)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 ZINC000587440985 HF Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(C[C@@H]2C[C@@H]1C(=O)O)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 ZINC000587440986 HF Annotated Anodyne COC(=O)N1C[C@@H]2CC[C@]3(C[C@@H]2C[C@H]1C(=O)O)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 ZINC000587440987 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OCC(=O)O)c(OC)c1)[C@@H](C2)C3=O ZINC000587441221 HF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OCC(=O)O)c(OC)c1)[C@@H](C2)C3=O ZINC000587441232 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(COC14CCN(C(=O)OC(C)(C)C)CC4)[C@@H](C2)C3=O ZINC000587441657 HF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(COC14CCN(C(=O)OC(C)(C)C)CC4)[C@@H](C2)C3=O ZINC000587441676 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCC(=O)N4CCOCC4)cc1)[C@@H](C2)C3=O ZINC000587441788 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OCC(=O)N4CCOCC4)cc1)[C@@H](C2)C3=O ZINC000587441795 HF Annotated Anodyne COc1cc2c3c(c1)OC1(C[C@H]4CN(C(=O)OC(C)(C)C)C[C@@H](C1)N4)[C@@H](C2)C3=O ZINC000587441873 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)C4=C(NC(=O)C4(C)C)c4ccccc41)[C@@H](C2)C3=O ZINC000587441880 HF Annotated Mild COc1cc2c3c(c1)O[C@]1(C(=O)C4=C(NC(=O)C4(C)C)c4ccccc41)[C@@H](C2)C3=O ZINC000587441881 HF Annotated Mild COc1cc2c3c(c1)O[C@H](c1cc(CN4CCOCC4)cc(OC)c1O)[C@@H](C2)C3=O ZINC000587442384 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(CN4CCOCC4)cc(OC)c1O)[C@@H](C2)C3=O ZINC000587442385 HF Annotated Anodyne CCOC(=O)[C@@H](OC(=O)c1ccccc1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442972 HF Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442974 HF Annotated Anodyne CCOC(=O)[C@@H](OC(=O)c1ccccc1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442975 HF Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442976 HF Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443375 HF Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443376 HF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCC(=O)N1CCC(O)CC1)[C@@H](C2)C3=O ZINC000587443690 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OCC(=O)N1CCC(O)CC1)[C@@H](C2)C3=O ZINC000587443698 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CO[C@]4(CCN(C(=O)OC(C)(C)C)C4)C1)[C@@H](C2)C3=O ZINC000587443876 HF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CO[C@]4(CCN(C(=O)OC(C)(C)C)C4)C1)[C@@H](C2)C3=O ZINC000587443877 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CO[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C1)[C@@H](C2)C3=O ZINC000587443880 HF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CO[C@@]4(CCN(C(=O)OC(C)(C)C)C4)C1)[C@@H](C2)C3=O ZINC000587443883 HF Annotated Anodyne COc1cc2c3c(c1)OC1([C@H]4COC[C@H]1CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587444429 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)N4CCC(O)CC4)cc1)[C@@H](C2)C3=O ZINC000587444887 HF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)N4CCC(O)CC4)cc1)[C@@H](C2)C3=O ZINC000587444888 HF Annotated Anodyne COC(=O)c1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1N1CCOCC1 ZINC000587445286 HF Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1N1CCOCC1 ZINC000587445287 HF Annotated Anodyne CCOc1ccc([C@]2(CC(=O)C(=O)OC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587445399 HF Annotated Anodyne CCOc1ccc([C@@]2(CC(=O)C(=O)OC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587445400 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H]4COC[C@@H](C1)N4C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587445780 HF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H]4COC[C@@H](C1)N4C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587445781 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OCC(=O)N4CCC(O)CC4)c1)[C@@H](C2)C3=O ZINC000587445894 HF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCC(=O)N4CCC(O)CC4)c1)[C@@H](C2)C3=O ZINC000587445895 HF Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(S(=O)(=O)c4ccc(C)cc4)CC1)[C@@H](C2)C3=O ZINC000587447505 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(CS(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587447510 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(CS(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587447511 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CSC#N)(c1ccc(S(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587447512 HF Annotated Reactive COc1cc2c3c(c1)O[C@](CSC#N)(c1ccc(S(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587447513 HF Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1ccc(NS(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587447534 HF Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(NS(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587447535 HF Annotated Reactive COc1cc2c3c(c1)O[C@](C)(c1sc(NCCCC(=O)O)nc1C)[C@@H](C2)C3=O ZINC000587448966 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1sc(NCCCC(=O)O)nc1C)[C@@H](C2)C3=O ZINC000587448974 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(S(N)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587448996 HF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(S(N)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587449002 HF Annotated Anodyne CCOc1nc(N2CCOCC2)sc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587449037 HF Annotated Anodyne CCOc1nc(N2CCOCC2)sc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587449039 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)NCCC(=O)O)(c1cccs1)[C@@H](C2)C3=O ZINC000587449665 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)NCCC(=O)O)(c1cccs1)[C@@H](C2)C3=O ZINC000587449686 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(S(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587449695 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(S(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587449702 HF Annotated Anodyne CC[C@]1(c2c(C)nn(CCS(C)(=O)=O)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450059 HF Annotated Anodyne CC[C@@]1(c2c(C)nn(CCS(C)(=O)=O)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450067 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(N(C)S(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587450268 HF Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1ccc(N(C)S(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587450269 HF Annotated Reactive COc1cc2c3c(c1)OC1(CCN(S(=O)(=O)c4cccs4)CC1)[C@@H](C2)C3=O ZINC000587451326 HF Annotated Anodyne COc1cc2c3c(c1)OC1(CC4(CN(S(=O)(=O)c5ccccc5)C4)C1)[C@@H](C2)C3=O ZINC000587451405 HF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn([C@H]4CCS(=O)(=O)C4)c1Cl)[C@@H](C2)C3=O ZINC000587451615 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn([C@H]4CCS(=O)(=O)C4)c1Cl)[C@@H](C2)C3=O ZINC000587451618 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn([C@@H]4CCS(=O)(=O)C4)c1Cl)[C@@H](C2)C3=O ZINC000587451619 HF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn([C@@H]4CCS(=O)(=O)C4)c1Cl)[C@@H](C2)C3=O ZINC000587451620 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1sc(NC(=O)CCC(=O)O)nc1C)[C@@H](C2)C3=O ZINC000587452635 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1sc(NC(=O)CCC(=O)O)nc1C)[C@@H](C2)C3=O ZINC000587452636 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](CNC(=O)CCCl)(c1scnc1C)[C@@H](C2)C3=O ZINC000587454074 HF Annotated Reactive COc1cc2c3c(c1)O[C@@](CNC(=O)CCCl)(c1scnc1C)[C@@H](C2)C3=O ZINC000587454075 HF Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(Cc1nc(=NC(=O)c4ccccc4)s[nH]1)[C@@H](C2)C3=O ZINC000587454203 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cc1nc(=NC(=O)c4ccccc4)s[nH]1)[C@@H](C2)C3=O ZINC000587454205 HF Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454675 HF Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454676 HF Annotated Anodyne CCOC(=O)COc1cc2c(cc1[C@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)OCO2 ZINC000587454841 HF Annotated Anodyne CCOC(=O)COc1cc2c(cc1[C@@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)OCO2 ZINC000587454844 HF Annotated Anodyne COc1cc2c3c(c1)O[C@](C1CCCC1)(C1C(=O)OC(C)(C)OC1=O)[C@@H](C2)C3=O ZINC000587456173 HF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C1CCCC1)(C1C(=O)OC(C)(C)OC1=O)[C@@H](C2)C3=O ZINC000587456174 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC(N)=O)c2ccc(Cl)cc21 ZINC000587461354 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC(N)=O)c2ccc(Cl)cc21 ZINC000587461356 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)nc(N)nc1N1CCOCC1)CC2=O ZINC000587461427 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)nc(N)nc1N1CCOCC1)CC2=O ZINC000587461443 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CN)(c1ncn(Cc3ccccc3)c1N)CC2=O ZINC000587470131 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CN)(c1ncn(Cc3ccccc3)c1N)CC2=O ZINC000587470132 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CNC(=O)C(=O)OCC)(c1ccccc1)CC2=O ZINC000587470465 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CNC(=O)C(=O)OCC)(c1ccccc1)CC2=O ZINC000587470466 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1nn(C)cc1[N+](=O)[O-])CC2=O ZINC000587472070 HF Annotated Bother CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1nn(C)cc1[N+](=O)[O-])CC2=O ZINC000587472071 HF Annotated Bother CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1nn(C)cc1[N+](=O)[O-])CC2=O ZINC000587472072 HF Annotated Bother CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1nn(C)cc1[N+](=O)[O-])CC2=O ZINC000587472073 HF Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1c(O)nc(=O)n(CC)c1N=CN(C)C)CC2=O ZINC000587474476 HF Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1c(O)nc(=O)n(CC)c1N=CN(C)C)CC2=O ZINC000587474478 HF Annotated Mild CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1c(C)nn(C)c1C)CC2=O ZINC000587474968 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1c(C)nn(C)c1C)CC2=O ZINC000587474969 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CN1CCOCC1)(c1c(C)nn(C)c1C)CC2=O ZINC000587475054 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CN1CCOCC1)(c1c(C)nn(C)c1C)CC2=O ZINC000587475055 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1C=C(C(=O)OCC)C(=N)N(C)C1=O)CC2=O ZINC000587475405 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H]1C=C(C(=O)OCC)C(=N)N(C)C1=O)CC2=O ZINC000587475407 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H]1C=C(C(=O)OCC)C(=N)N(C)C1=O)CC2=O ZINC000587475408 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H]1C=C(C(=O)OCC)C(=N)N(C)C1=O)CC2=O ZINC000587475409 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CN1C(=O)c3ccccc3C1=O)(C(=O)OC)CC2=O ZINC000587476032 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CN1C(=O)c3ccccc3C1=O)(C(=O)OC)CC2=O ZINC000587476033 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1cnn(CC)c1)CC2=O ZINC000587476110 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1cnn(CC)c1)CC2=O ZINC000587476114 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCN1CCOCC1)(c1cn(C)nc1C)CC2=O ZINC000587476143 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCN1CCOCC1)(c1cn(C)nc1C)CC2=O ZINC000587476145 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccn(CC)n1)CC2=O ZINC000587476822 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccn(CC)n1)CC2=O ZINC000587476825 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(N3CCOCC3)ccc21 ZINC000587477220 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(N3CCOCC3)ccc21 ZINC000587477224 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N1CCC(C(=O)OC)CC1)CC2=O ZINC000587477264 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)N1CCC(C(=O)OC)CC1)CC2=O ZINC000587477267 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccnn1CC)CC2=O ZINC000587482017 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccnn1CC)CC2=O ZINC000587482019 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(OC)c(S(N)(=O)=O)c1)CC2=O ZINC000587484824 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(OC)c(S(N)(=O)=O)c1)CC2=O ZINC000587484836 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(S(=O)(=O)NCCCO)cc1)CC2=O ZINC000587485148 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)NCCCO)cc1)CC2=O ZINC000587485150 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOc3ccc(S(N)(=O)=O)cc31)CC2=O ZINC000587487381 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOc3ccc(S(N)(=O)=O)cc31)CC2=O ZINC000587487390 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(c3nn[nH]n3)Oc3c(N)cccc31)CC2=O ZINC000587487936 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(c3nn[nH]n3)Oc3c(N)cccc31)CC2=O ZINC000587487941 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CN1C(=O)c3ccccc3S1(=O)=O)CC2=O ZINC000587493974 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CN1C(=O)c3ccccc3S1(=O)=O)CC2=O ZINC000587493975 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn([C@]3(C)CCS(=O)(=O)C3)c1)CC2=O ZINC000587494070 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn([C@@]3(C)CCS(=O)(=O)C3)c1)CC2=O ZINC000587494080 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn([C@@]3(C)CCS(=O)(=O)C3)c1)CC2=O ZINC000587494083 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn([C@]3(C)CCS(=O)(=O)C3)c1)CC2=O ZINC000587494085 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1N1CCS(=O)(=O)CC1)CC2=O ZINC000587494472 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1N1CCS(=O)(=O)CC1)CC2=O ZINC000587494475 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1N1CCS(=O)(=O)CC1)CC2=O ZINC000587494478 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1N1CCS(=O)(=O)CC1)CC2=O ZINC000587494481 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](C(=O)OCC)[C@H]1CCS(=O)(=O)C1)CC2=O ZINC000587494791 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](C(=O)OCC)[C@@H]1CCS(=O)(=O)C1)CC2=O ZINC000587494805 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](C(=O)OCC)[C@@H]1CCS(=O)(=O)C1)CC2=O ZINC000587494808 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](C(=O)OCC)[C@H]1CCS(=O)(=O)C1)CC2=O ZINC000587494811 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1csc(NC=O)n1)CC2=O ZINC000587495779 HF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1csc(NC=O)n1)CC2=O ZINC000587495781 HF Annotated Anodyne Nc1nc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(N2CCOCC2)n1 ZINC000587499891 HF Annotated Anodyne Nc1nc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(N2CCOCC2)n1 ZINC000587499893 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(C)nn(C)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516287 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(C)nn(C)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516299 HF Annotated Anodyne CCOC(=O)C1=C[C@H]([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)N(C)C1=N ZINC000587516854 HF Annotated Anodyne CCOC(=O)C1=C[C@@H]([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)N(C)C1=N ZINC000587516855 HF Annotated Anodyne CCOC(=O)C1=C[C@H]([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)N(C)C1=N ZINC000587516856 HF Annotated Anodyne CCOC(=O)C1=C[C@@H]([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)N(C)C1=N ZINC000587516857 HF Annotated Anodyne CCn1c(N=CN(C)C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)nc1=O ZINC000587517602 HF Annotated Mild CCn1c(N=CN(C)C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)nc1=O ZINC000587517603 HF Annotated Mild COC(=O)[C@@]1(CN2C(=O)c3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517662 HF Annotated Anodyne COC(=O)[C@]1(CN2C(=O)c3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517663 HF Annotated Anodyne O=C1C[C@](c2ccc(N3CCOCC3)cc2)(C(O)O)Oc2c1ccc1c2CCCC1 ZINC000587518294 HF Annotated Anodyne O=C1C[C@@](c2ccc(N3CCOCC3)cc2)(C(O)O)Oc2c1ccc1c2CCCC1 ZINC000587518295 HF Annotated Anodyne Nc1cccc2c1OC(c1nn[nH]n1)=C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527765 HF Annotated Anodyne Nc1cccc2c1OC(c1nn[nH]n1)=C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527767 HF Annotated Anodyne O=C1C[C@@]2(CCCC[C@H]2N2CCS(=O)(=O)CC2)Oc2c1ccc1c2CCCC1 ZINC000587529702 HF Annotated Anodyne O=C1C[C@]2(CCCC[C@H]2N2CCS(=O)(=O)CC2)Oc2c1ccc1c2CCCC1 ZINC000587529705 HF Annotated Anodyne O=C1C[C@@]2(CCCC[C@@H]2N2CCS(=O)(=O)CC2)Oc2c1ccc1c2CCCC1 ZINC000587529706 HF Annotated Anodyne O=C1C[C@]2(CCCC[C@@H]2N2CCS(=O)(=O)CC2)Oc2c1ccc1c2CCCC1 ZINC000587529707 HF Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530529 HF Annotated Anodyne CCOC(=O)[C@H]([C@H]1CCS(=O)(=O)C1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530536 HF Annotated Anodyne CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530538 HF Annotated Anodyne CCOC(=O)[C@H]([C@H]1CCS(=O)(=O)C1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530539 HF Annotated Anodyne O=C(O)CNS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532526 HF Annotated Anodyne O=C(O)CNS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532529 HF Annotated Anodyne O=C1C[C@@H](c2ccc(S(=O)(=O)NCCCO)cc2)Oc2c1ccc1c2CCCC1 ZINC000587534274 HF Annotated Anodyne O=C1C[C@H](c2ccc(S(=O)(=O)NCCCO)cc2)Oc2c1ccc1c2CCCC1 ZINC000587534280 HF Annotated Anodyne COC(=O)C(=O)[C@H](Cl)[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543862 HF Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543863 HF Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543864 HF Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543865 HF Annotated Reactive Cn1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(N)=O ZINC000587545330 HF Annotated Reactive Cn1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(N)=O ZINC000587545338 HF Annotated Reactive Cn1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(N)=O ZINC000587545339 HF Annotated Reactive Cn1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(N)=O ZINC000587545341 HF Annotated Reactive CCOC(=O)C(=O)[C@H](Cl)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546851 HF Annotated Reactive CCOC(=O)C(=O)[C@H](Cl)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546852 HF Annotated Reactive CCOC(=O)C(=O)[C@H](Cl)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546853 HF Annotated Reactive CCOC(=O)C(=O)[C@H](Cl)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546855 HF Annotated Reactive CCCN1N=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](Cl)C1=O ZINC000587549816 HF Annotated Reactive CCCN1N=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](Cl)C1=O ZINC000587549818 HF Annotated Reactive CCCN1N=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](Cl)C1=O ZINC000587549819 HF Annotated Reactive CCCN1N=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](Cl)C1=O ZINC000587549821 HF Annotated Reactive CC(C)N1N=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](Cl)C1=O ZINC000587551273 HF Annotated Reactive CC(C)N1N=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](Cl)C1=O ZINC000587551279 HF Annotated Reactive CC(C)N1N=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](Cl)C1=O ZINC000587551283 HF Annotated Reactive CC(C)N1N=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](Cl)C1=O ZINC000587551285 HF Annotated Reactive C[C@@H](NC(=O)OC(C)(C)C)c1nc2nc(O)nc(O)c2cc1CCCC1OCCO1 ZINC000587552641 HF Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)c1nc2nc(O)nc(O)c2cc1CCCC1OCCO1 ZINC000587552642 HF Annotated Anodyne COC(=O)c1cc(-c2nc3nc(O)nc(O)c3cc2C)cn1C(=O)OC(C)(C)C ZINC000587554036 HF Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554601 HF Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554604 HF Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554606 HF Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554607 HF Annotated Anodyne CCOC(=O)[C@H](F)[C@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554732 HF Annotated Anodyne CCOC(=O)[C@H](F)[C@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554740 HF Annotated Anodyne CCOC(=O)[C@H](F)[C@@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554742 HF Annotated Anodyne CCOC(=O)[C@H](F)[C@@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554743 HF Annotated Anodyne O=c1oc2c3c4c(cc2cc1-c1ccc2c(O)nc(O)nc2n1)CCCN4CCC3 ZINC000587555598 HF Annotated Anodyne O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587555731 HF Annotated Anodyne O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587555737 HF Annotated Anodyne O=C(Nc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1)[C@H]1CCCC[C@H]1C(=O)O ZINC000587555738 HF Annotated Anodyne O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587555739 HF Annotated Anodyne CCOC(=O)C(=CNc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)C(=O)OCC ZINC000587556175 HF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)c(F)c1)C(O)O ZINC000587558800 HF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)c(F)c1)C(O)O ZINC000587558804 HF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)c(F)c1)C(O)O ZINC000587558806 HF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)c(F)c1)C(O)O ZINC000587558808 HF Annotated Anodyne C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000587560426 HF Annotated Anodyne C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@H]1CC[C@@H]2O ZINC000587560428 HF Annotated Anodyne C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@@H]1CC[C@H]2O ZINC000587560429 HF Annotated Anodyne C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@H]1CC[C@H]2O ZINC000587560431 HF Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@@H](c1ccco1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587560752 HF Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccco1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587560754 HF Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587560755 HF Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587560756 HF Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@@H]1[C@@H](O)C[C@@H]2O ZINC000587560815 HF Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1[C@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccco1 ZINC000587561306 HF Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@H]1[C@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccco1 ZINC000587561307 HF Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@H]1[C@@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccco1 ZINC000587561308 HF Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1[C@@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccco1 ZINC000587561310 HF Annotated Anodyne C[C@]12C=CC(=O)C=C1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)c3nc4nc(O)nc(O)c4cc3C[C@@H]12 ZINC000587562349 HF Annotated Mild O=S(=O)(Cl)c1ccc(Br)c(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587562575 HF Annotated Unstable CCOC(=O)c1c(NC(=O)CCl)sc(-c2ccc3c(O)nc(O)nc3n2)c1C ZINC000587562884 HF Annotated Reactive O=S(=O)(CCc1ccc2c(O)nc(O)nc2n1)c1cc(Cl)ccc1Cl ZINC000587563227 HF Annotated Anodyne O=S(=O)(CCc1ccc2c(O)nc(O)nc2n1)c1ccc(Cl)c(Cl)c1 ZINC000587563673 HF Annotated Anodyne O=S(=O)(Nc1ccccc1-c1ccc2c(O)nc(O)nc2n1)c1cccs1 ZINC000587563864 HF Annotated Anodyne Cc1cccc(OCc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c1C ZINC000587563920 HF Annotated Anodyne Cc1cc(C)cc(OCc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c1 ZINC000587564583 HF Annotated Anodyne Cc1cc(C)cc(OCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c1 ZINC000587565020 HF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 ZINC000587566211 HF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccnc(Br)c2[nH]1 ZINC000587566230 HF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(Br)c(C)nc2[nH]1 ZINC000587566251 HF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cncc(Br)c2[nH]1 ZINC000587566254 HF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587566323 HF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(Br)cnc2[nH]1 ZINC000587566401 HF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587566500 HF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c(C)c(Br)cnc2[nH]1 ZINC000587566562 HF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(Br)ncc2[nH]1 ZINC000587566571 HF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c(Br)ccnc2[nH]1 ZINC000587566799 HF Annotated Anodyne CN(C)c1ccc([C@@]2(C(O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587568196 HF Annotated Anodyne CN(C)c1ccc([C@]2(C(O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587568203 HF Annotated Anodyne CN(C)c1ccc([C@@]2(C(O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587568209 HF Annotated Anodyne CN(C)c1ccc([C@]2(C(O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587568211 HF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N(CCO)CCO)cc1 ZINC000587568805 HF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N(CCO)CCO)cc1 ZINC000587568808 HF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N(CCO)CCO)cc1 ZINC000587568809 HF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N(CCO)CCO)cc1 ZINC000587568811 HF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587569172 HF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587569183 HF Annotated Anodyne CCOC(=O)CNc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587570923 HF Annotated Anodyne CCOC(=O)CNc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587570929 HF Annotated Anodyne CCOC(=O)CNc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587570932 HF Annotated Anodyne CCOC(=O)CNc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587570934 HF Annotated Anodyne CC(=O)N[C@H](O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573575 HF Annotated Anodyne CC(=O)N[C@H](O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573583 HF Annotated Anodyne CC(=O)N[C@H](O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573585 HF Annotated Anodyne CC(=O)N[C@H](O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573587 HF Annotated Anodyne CCOC(=O)CCCC(=O)NC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573611 HF Annotated Anodyne CCOC(=O)CCCC(=O)NC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573612 HF Annotated Anodyne CCOC(=O)CCCC(=O)NC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573613 HF Annotated Anodyne CCOC(=O)CCCC(=O)NC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573614 HF Annotated Anodyne CCOC(=O)C[C@]1(c2nccn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574488 HF Annotated Anodyne CCOC(=O)C[C@]1(c2nccn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574489 HF Annotated Anodyne CCOC(=O)C[C@@]1(c2nccn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574490 HF Annotated Anodyne CCOC(=O)C[C@@]1(c2nccn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574491 HF Annotated Anodyne CCOC(=O)[C@]1(/C(C#N)=C\N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574576 HF Annotated Reactive CCOC(=O)[C@]1(/C(C#N)=C/N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574589 HF Annotated Reactive CCOC(=O)[C@]1(/C(C#N)=C/N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574590 HF Annotated Reactive CCOC(=O)[C@]1(/C(C#N)=C\N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574592 HF Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1OC(=O)[C@@H]2[N+](=O)[O-] ZINC000587574840 HF Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1OC(=O)[C@H]2[N+](=O)[O-] ZINC000587574843 HF Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1OC(=O)[C@H]2[N+](=O)[O-] ZINC000587574845 HF Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1OC(=O)[C@@H]2[N+](=O)[O-] ZINC000587574848 HF Annotated Mild COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC(N)=O ZINC000587575107 HF Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC(N)=O ZINC000587575108 HF Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC(N)=O ZINC000587575109 HF Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC(N)=O ZINC000587575110 HF Annotated Anodyne CC(=O)Nc1ccc([C@@]2(C(O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575147 HF Annotated Anodyne CC(=O)Nc1ccc([C@]2(C(O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575148 HF Annotated Anodyne CC(=O)Nc1ccc([C@@]2(C(O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575149 HF Annotated Anodyne CC(=O)Nc1ccc([C@]2(C(O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575150 HF Annotated Anodyne C[C@]1(c2ccc(-[n+]3cc(=O)o[nH]3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575536 HF Annotated Anodyne C[C@]1(c2ccc(-[n+]3cc(=O)o[nH]3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575537 HF Annotated Anodyne C[C@@]1(c2ccc(-[n+]3cc(=O)o[nH]3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575538 HF Annotated Anodyne C[C@@]1(c2ccc(-[n+]3cc(=O)o[nH]3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575539 HF Annotated Anodyne NC(=O)C[C@]1(C(=O)O)CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587575829 HF Annotated Anodyne NC(=O)C[C@]1(C(=O)O)CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587575834 HF Annotated Anodyne NC(=O)C[C@]1(C(=O)O)CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587575835 HF Annotated Anodyne NC(=O)C[C@]1(C(=O)O)CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587575836 HF Annotated Anodyne Nc1ccccc1[C@@]1(C[C@H](N)C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576428 HF Annotated Anodyne Nc1ccccc1[C@@]1(C[C@@H](N)C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576451 HF Annotated Anodyne Nc1ccccc1[C@]1(C[C@@H](N)C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576453 HF Annotated Anodyne Nc1ccccc1[C@]1(C[C@@H](N)C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576456 HF Annotated Anodyne Nc1ccccc1[C@]1(C[C@H](N)C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576459 HF Annotated Anodyne Nc1ccccc1[C@]1(C[C@H](N)C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576462 HF Annotated Anodyne Nc1ccccc1[C@@]1(C[C@H](N)C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576464 HF Annotated Anodyne Nc1ccccc1[C@@]1(C[C@@H](N)C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576465 HF Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(N)=O ZINC000587576521 HF Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(N)=O ZINC000587576524 HF Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(N)=O ZINC000587576527 HF Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(N)=O ZINC000587576530 HF Annotated Anodyne CCOC(=O)C[C@]1(c2cncn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577052 HF Annotated Anodyne CCOC(=O)C[C@@]1(c2cncn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577053 HF Annotated Anodyne CCOC(=O)C[C@]1(c2cncn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577054 HF Annotated Anodyne CCOC(=O)C[C@@]1(c2cncn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577055 HF Annotated Anodyne Cc1nn(C)c(N2CCOCC2)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578558 HF Annotated Anodyne Cc1nn(C)c(N2CCOCC2)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578570 HF Annotated Anodyne Cc1nn(C)c(N2CCOCC2)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578571 HF Annotated Anodyne Cc1nn(C)c(N2CCOCC2)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578574 HF Annotated Anodyne Cn1ccnc1C1(c2nccn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578784 HF Annotated Anodyne Cn1ccnc1C1(c2nccn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578785 HF Annotated Anodyne NC(=O)c1cc2c(nc1O)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579480 HF Annotated Anodyne NC(=O)c1cc2c(nc1O)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579481 HF Annotated Anodyne NC(=O)c1cc2c(nc1O)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579482 HF Annotated Anodyne NC(=O)c1cc2c(nc1O)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579483 HF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(C(=O)c1cnccn1)CC2 ZINC000587579980 HF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(C(=O)c1cnccn1)CC2 ZINC000587579987 HF Annotated Anodyne CCOC(=O)C[C@]1(c2ccn(C)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580089 HF Annotated Anodyne CCOC(=O)C[C@@]1(c2ccn(C)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580091 HF Annotated Anodyne CCOC(=O)C[C@]1(c2ccn(C)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580092 HF Annotated Anodyne CCOC(=O)C[C@@]1(c2ccn(C)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580094 HF Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580358 HF Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580369 HF Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580371 HF Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580373 HF Annotated Anodyne Cc1nc(O)c(C(N)=O)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581303 HF Annotated Anodyne Cc1nc(O)c(C(N)=O)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581318 HF Annotated Anodyne Cc1nc(O)c(C(N)=O)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581320 HF Annotated Anodyne Cc1nc(O)c(C(N)=O)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581321 HF Annotated Anodyne NC(=O)c1c(O)ncc2c1CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582020 HF Annotated Anodyne NC(=O)c1c(O)ncc2c1CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582021 HF Annotated Anodyne NC(=O)c1c(O)ncc2c1CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582022 HF Annotated Anodyne NC(=O)c1c(O)ncc2c1CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582023 HF Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1 ZINC000587582416 HF Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1 ZINC000587582417 HF Annotated Anodyne CCOC(=O)c1cn(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1 ZINC000587582418 HF Annotated Anodyne CCOC(=O)c1cn(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1 ZINC000587582419 HF Annotated Anodyne CC1=C[C@]2(CC(=O)N1CCC(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582890 HF Annotated Anodyne CC1=C[C@@]2(CC(=O)N1CCC(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582891 HF Annotated Anodyne CC1=C[C@]2(CC(=O)N1CCC(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582892 HF Annotated Anodyne CC1=C[C@@]2(CC(=O)N1CCC(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582893 HF Annotated Anodyne CCOC(=O)C[C@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583004 HF Annotated Anodyne CCOC(=O)C[C@@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583005 HF Annotated Anodyne CCOC(=O)C[C@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583006 HF Annotated Anodyne CCOC(=O)C[C@@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583007 HF Annotated Anodyne Cn1nc(C(=O)O)c2c1CC[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583152 HF Annotated Anodyne Cn1nc(C(=O)O)c2c1CC[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583153 HF Annotated Anodyne Cn1nc(C(=O)O)c2c1CC[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583154 HF Annotated Anodyne Cn1nc(C(=O)O)c2c1CC[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583155 HF Annotated Anodyne CCOC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](OC)C1 ZINC000587584173 HF Annotated Anodyne CCOC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](OC)C1 ZINC000587584178 HF Annotated Anodyne CCOC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](OC)C1 ZINC000587584179 HF Annotated Anodyne CCOC(=O)N1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](OC)C1 ZINC000587584180 HF Annotated Anodyne CC1=C[C@]2(CC(=O)N1[C@H](C)C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584359 HF Annotated Anodyne CC1=C[C@]2(CC(=O)N1[C@H](C)C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584360 HF Annotated Anodyne CC1=C[C@]2(CC(=O)N1[C@@H](C)C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584361 HF Annotated Anodyne CC1=C[C@]2(CC(=O)N1[C@@H](C)C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584362 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585173 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585189 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585191 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585193 HF Annotated Anodyne O=C(O)CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585249 HF Annotated Anodyne O=C(O)CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585267 HF Annotated Anodyne O=C(O)CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585272 HF Annotated Anodyne O=C(O)CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585273 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(C)on2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586262 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(C)on2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586265 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(C)on2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586266 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(C)on2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586268 HF Annotated Anodyne CCOC(=O)C[C@]1(c2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586731 HF Annotated Anodyne CCOC(=O)C[C@@]1(c2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586736 HF Annotated Anodyne CCOC(=O)C[C@]1(c2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586738 HF Annotated Anodyne CCOC(=O)C[C@@]1(c2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586739 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586901 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586902 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586903 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586904 HF Annotated Anodyne CCC12CN3CCN(CC(C3)[C@@]13Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1)C2 ZINC000587588113 HF Annotated Anodyne CCC12CN3CCN(CC(C3)[C@]13Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1)C2 ZINC000587588126 HF Annotated Anodyne CCC12CN3CCN(CC(C3)[C@@]13Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1)C2 ZINC000587588130 HF Annotated Anodyne CCC12CN3CCN(CC(C3)[C@]13Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1)C2 ZINC000587588135 HF Annotated Anodyne CCOC(=O)[C@]1(c2cnc(OC)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588231 HF Annotated Anodyne CCOC(=O)[C@@]1(c2cnc(OC)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588232 HF Annotated Anodyne CCOC(=O)[C@]1(c2cnc(OC)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588233 HF Annotated Anodyne CCOC(=O)[C@@]1(c2cnc(OC)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588234 HF Annotated Anodyne CC12CN3CCN(C1)CC(C)(C3)C21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589067 HF Annotated Anodyne CC12CN3CCN(C1)CC(C)(C3)C21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589069 HF Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589297 HF Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589299 HF Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589301 HF Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589303 HF Annotated Anodyne COC(=O)C1=C2CCCN2C(=O)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587590179 HF Annotated Anodyne COC(=O)C1=C2CCCN2C(=O)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587590181 HF Annotated Anodyne COC(=O)C1=C2CCCN2C(=O)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587590183 HF Annotated Anodyne COC(=O)C1=C2CCCN2C(=O)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587590184 HF Annotated Anodyne COC(=O)c1ccc2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591291 HF Annotated Anodyne COC(=O)c1ccc2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591293 HF Annotated Anodyne COC(=O)c1ccc2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591294 HF Annotated Anodyne COC(=O)c1ccc2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591296 HF Annotated Anodyne COc1ccc([C@@]2(C(O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587592205 HF Annotated Anodyne COc1ccc([C@]2(C(O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587592206 HF Annotated Anodyne COc1ccc([C@@]2(C(O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587592207 HF Annotated Anodyne COc1ccc([C@]2(C(O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587592208 HF Annotated Anodyne CCOC(=O)[C@](C)(OC(C)=O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592234 HF Annotated Anodyne CCOC(=O)[C@](C)(OC(C)=O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592236 HF Annotated Anodyne CCOC(=O)[C@](C)(OC(C)=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592238 HF Annotated Anodyne CCOC(=O)[C@](C)(OC(C)=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592240 HF Annotated Anodyne CCOC(=O)C[C@@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592587 HF Annotated Anodyne CCOC(=O)C[C@@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592593 HF Annotated Anodyne CCOC(=O)C[C@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592594 HF Annotated Anodyne CCOC(=O)C[C@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592595 HF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCOCC2)nc1 ZINC000587593530 HF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCOCC2)nc1 ZINC000587593531 HF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCOCC2)nc1 ZINC000587593532 HF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCOCC2)nc1 ZINC000587593533 HF Annotated Anodyne CCOC(=O)CC[C@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593802 HF Annotated Anodyne CCOC(=O)CC[C@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593805 HF Annotated Anodyne CCOC(=O)CC[C@@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593807 HF Annotated Anodyne CCOC(=O)CC[C@@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593809 HF Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593853 HF Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593854 HF Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593855 HF Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593856 HF Annotated Anodyne COC(=O)CC[C@H](C(=O)OC)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594225 HF Annotated Anodyne COC(=O)CC[C@H](C(=O)OC)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594226 HF Annotated Anodyne COC(=O)CC[C@H](C(=O)OC)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594228 HF Annotated Anodyne COC(=O)CC[C@H](C(=O)OC)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594229 HF Annotated Anodyne CCOC(=O)CC1(CC(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594363 HF Annotated Anodyne CCOC(=O)CC1(CC(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594364 HF Annotated Anodyne O=C(O)c1cccc2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594548 HF Annotated Anodyne O=C(O)c1cccc2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594560 HF Annotated Anodyne O=C(O)c1cccc2c1NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594563 HF Annotated Anodyne O=C(O)c1cccc2c1NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594566 HF Annotated Anodyne COC(=O)C[C@@]1(C(C)(OC)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595054 HF Annotated Anodyne COC(=O)C[C@@]1(C(C)(OC)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595056 HF Annotated Anodyne COC(=O)C[C@]1(C(C)(OC)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595058 HF Annotated Anodyne COC(=O)C[C@]1(C(C)(OC)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595060 HF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(CN1CCCC1)OCC2=O ZINC000587595596 HF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(CN1CCCC1)OCC2=O ZINC000587595599 HF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(CN1CCCC1)OCC2=O ZINC000587595601 HF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(CN1CCCC1)OCC2=O ZINC000587595603 HF Annotated Anodyne O=C(O)c1ccc2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596764 HF Annotated Anodyne O=C(O)c1ccc2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596765 HF Annotated Anodyne O=C(O)c1ccc2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596766 HF Annotated Anodyne O=C(O)c1ccc2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596767 HF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12COC(CN1CCCC1)=CC2=O ZINC000587597002 HF Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12COC(CN1CCCC1)=CC2=O ZINC000587597003 HF Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12COC(CN1CCCC1)=CC2=O ZINC000587597004 HF Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12COC(CN1CCCC1)=CC2=O ZINC000587597005 HF Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(CCN1CCOCC1)CC2 ZINC000587597112 HF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(CCN1CCOCC1)CC2 ZINC000587597115 HF Annotated Anodyne CN1CCN(c2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)CC1 ZINC000587597411 HF Annotated Anodyne CN1CCN(c2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)CC1 ZINC000587597412 HF Annotated Anodyne CN1CCN(c2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)CC1 ZINC000587597413 HF Annotated Anodyne CN1CCN(c2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)CC1 ZINC000587597414 HF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc3c(cc12)OCCO3 ZINC000587597486 HF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc3c(cc12)OCCO3 ZINC000587597502 HF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc3c(cc12)OCCO3 ZINC000587597506 HF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc3c(cc12)OCCO3 ZINC000587597509 HF Annotated Anodyne O=C(O)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587598910 HF Annotated Anodyne O=C(O)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587598911 HF Annotated Anodyne O=C(O)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587598912 HF Annotated Anodyne O=C(O)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587598913 HF Annotated Anodyne CCOC(=O)[C@H](C)[C@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599571 HF Annotated Anodyne CCOC(=O)[C@H](C)[C@@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599573 HF Annotated Anodyne CCOC(=O)[C@H](C)[C@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599574 HF Annotated Anodyne CCOC(=O)[C@H](C)[C@@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599576 HF Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599771 HF Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599772 HF Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599773 HF Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599774 HF Annotated Anodyne O=C(O)[C@H]1[C@@H]2C[C@@H](C[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)[C@H]1C(=O)O ZINC000587605591 HF Annotated Anodyne O=C(O)[C@H]1[C@@H]2C[C@@H](C[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)[C@H]1C(=O)O ZINC000587605592 HF Annotated Anodyne O=C(O)[C@H]1[C@@H]2C[C@@H](C[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)[C@H]1C(=O)O ZINC000587605593 HF Annotated Anodyne O=C(O)[C@H]1[C@@H]2C[C@@H](C[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)[C@H]1C(=O)O ZINC000587605594 HF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(O)c(O)c1)C(=O)O ZINC000587606246 HF Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(O)c(O)c1)C(=O)O ZINC000587606247 HF Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(O)c(O)c1)C(=O)O ZINC000587606248 HF Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(O)c(O)c1)C(=O)O ZINC000587606249 HF Annotated Clean CS(=O)(=O)C[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606255 HF Annotated Anodyne CS(=O)(=O)C[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606256 HF Annotated Anodyne CS(=O)(=O)C[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606257 HF Annotated Anodyne CS(=O)(=O)C[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606258 HF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCCNS(=O)(=O)C1CC1 ZINC000587606404 HF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCCNS(=O)(=O)C1CC1 ZINC000587606405 HF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCCNS(=O)(=O)C1CC1 ZINC000587606406 HF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCCNS(=O)(=O)C1CC1 ZINC000587606407 HF Annotated Anodyne C[C@]1(c2cccc(S(N)(=O)=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607864 HF Annotated Anodyne C[C@@]1(c2cccc(S(N)(=O)=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607865 HF Annotated Anodyne C[C@@]1(c2cccc(S(N)(=O)=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607866 HF Annotated Anodyne C[C@]1(c2cccc(S(N)(=O)=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607869 HF Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608184 HF Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608185 HF Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608186 HF Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608187 HF Annotated Anodyne C[C@]1(c2ccc(S(N)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608703 HF Annotated Anodyne C[C@@]1(c2ccc(S(N)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608704 HF Annotated Anodyne C[C@@]1(c2ccc(S(N)(=O)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608705 HF Annotated Anodyne C[C@]1(c2ccc(S(N)(=O)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608706 HF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@H]1[C@H]3C[C@@H]4[C@H]1[C@]1(C(=O)O)[C@@H]2[C@H]3[C@@H]41 ZINC000587609270 HF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@H]1[C@H]3C[C@@H]4[C@H]1[C@@]1(C(=O)O)[C@@H]2[C@H]3[C@@H]41 ZINC000587609271 HF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@H]1[C@H]3C[C@@H]4[C@@H]1[C@@]1(C(=O)O)[C@@H]2[C@H]3[C@@H]41 ZINC000587609272 HF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@H]1[C@H]3C[C@@H]4[C@@H]1[C@]1(C(=O)O)[C@@H]2[C@H]3[C@@H]41 ZINC000587609273 HF Annotated Anodyne CC(C)[C@@]1(CS(=O)(=O)N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609939 HF Annotated Anodyne CC(C)[C@]1(CS(=O)(=O)N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609952 HF Annotated Anodyne CC(C)[C@]1(CS(=O)(=O)N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609954 HF Annotated Anodyne CC(C)[C@@]1(CS(=O)(=O)N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609955 HF Annotated Anodyne C[C@@H]1C[C@]2(C[C@H](C(=O)O)[C@@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587613249 HF Annotated Anodyne C[C@@H]1C[C@]2(C[C@H](C(=O)O)[C@@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587613252 HF Annotated Anodyne C[C@@H]1C[C@]2(C[C@H](C(=O)O)[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587613254 HF Annotated Anodyne C[C@@H]1C[C@]2(C[C@H](C(=O)O)[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587613256 HF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CNS(=O)(=O)c1ccsc12 ZINC000587614314 HF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CNS(=O)(=O)c1ccsc12 ZINC000587614315 HF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CNS(=O)(=O)c1ccsc12 ZINC000587614316 HF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CNS(=O)(=O)c1ccsc12 ZINC000587614317 HF Annotated Anodyne CCOC(=O)[C@]1(c2csc(N)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614363 HF Annotated Anodyne CCOC(=O)[C@]1(c2csc(N)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614366 HF Annotated Anodyne CCOC(=O)[C@@]1(c2csc(N)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614368 HF Annotated Anodyne CCOC(=O)[C@@]1(c2csc(N)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614370 HF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CS(=O)(=O)Oc1ccccc12 ZINC000587614420 HF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CS(=O)(=O)Oc1ccccc12 ZINC000587614438 HF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CS(=O)(=O)Oc1ccccc12 ZINC000587614440 HF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CS(=O)(=O)Oc1ccccc12 ZINC000587614442 HF Annotated Anodyne CNC(=O)c1c(C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620562 HF Annotated Bother COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1cnn(C)c1C ZINC000587622414 HF Annotated Anodyne COC(=O)C(=O)c1c(-c2ccnn2C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622580 HF Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1cnn(C)c1 ZINC000587622772 HF Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1cn(C)nc1C ZINC000587622846 HF Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccn(C)n1 ZINC000587622903 HF Annotated Anodyne Nc1c(O)cccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@H](N)C(=O)O ZINC000587622925 HF Annotated Anodyne Nc1c(O)cccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@@H](N)C(=O)O ZINC000587622926 HF Annotated Anodyne COC(=O)C(=O)c1c(-c2cn(C)nc2C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623201 HF Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccnn1C ZINC000587623374 HF Annotated Anodyne COC(=O)C(=O)c1c(-c2ccn(C)n2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623584 HF Annotated Anodyne COC(=O)C(=O)c1c(-c2cnn(C)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623604 HF Annotated Anodyne COC(=O)C(=O)c1c(-c2cnn(C)c2C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623680 HF Annotated Anodyne Cc1[nH]c2c(C)cc(Cl)cc2c1CCCN1C(=O)[C@H]2[C@@H](N=CN2C)N(C)C1=O ZINC000587626798 HF Annotated Anodyne Cc1[nH]c2c(C)cc(Cl)cc2c1CCCN1C(=O)[C@H]2[C@H](N=CN2C)N(C)C1=O ZINC000587626807 HF Annotated Anodyne Cc1[nH]c2c(C)cc(Cl)cc2c1CCCN1C(=O)[C@@H]2[C@@H](N=CN2C)N(C)C1=O ZINC000587626812 HF Annotated Anodyne Cc1[nH]c2c(C)cc(Cl)cc2c1CCCN1C(=O)[C@@H]2[C@H](N=CN2C)N(C)C1=O ZINC000587626815 HF Annotated Anodyne Cc1[nH]c2cc(Cl)c(F)cc2c1CCCN1C(=O)[C@@H]2[C@H](N=CN2C)N(C)C1=O ZINC000587631708 HF Annotated Anodyne Cc1[nH]c2cc(Cl)c(F)cc2c1CCCN1C(=O)[C@H]2[C@H](N=CN2C)N(C)C1=O ZINC000587631709 HF Annotated Anodyne Cc1[nH]c2cc(Cl)c(F)cc2c1CCCN1C(=O)[C@@H]2[C@@H](N=CN2C)N(C)C1=O ZINC000587631710 HF Annotated Anodyne Cc1[nH]c2cc(Cl)c(F)cc2c1CCCN1C(=O)[C@H]2[C@@H](N=CN2C)N(C)C1=O ZINC000587631711 HF Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1CCCN1C(=O)[C@@H]2[C@H](N=CN2C)N(C)C1=O ZINC000587632127 HF Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1CCCN1C(=O)[C@H]2[C@H](N=CN2C)N(C)C1=O ZINC000587632128 HF Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1CCCN1C(=O)[C@@H]2[C@@H](N=CN2C)N(C)C1=O ZINC000587632129 HF Annotated Anodyne Cc1[nH]c2ccc(F)c(Cl)c2c1CCCN1C(=O)[C@H]2[C@@H](N=CN2C)N(C)C1=O ZINC000587632130 HF Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccccc3)[nH]c3c(C(=O)O)cccc23)c1C(=O)OC ZINC000587638196 HF Annotated Anodyne COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(N2CCOCC2)cc1 ZINC000587639446 HF Annotated Anodyne COC(=O)C(=O)c1c(-c2ccc(N3CCOCC3)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587639483 HF Annotated Clean COC(=O)c1nnn(-c2c(-c3ccccc3)[nH]c3cccc([N+](=O)[O-])c23)c1C(=O)OC ZINC000587647019 HF Annotated Bother CCCn1cnc2c1c(=O)n(CCCc1c(C)[nH]c3cccc([N+](=O)[O-])c13)c(=O)n2C ZINC000587647670 HF Annotated Bother CCCn1cnc2c1c(=O)n(CCCc1c(C)[nH]c3cc([N+](=O)[O-])ccc13)c(=O)n2C ZINC000587647694 HF Annotated Bother COC(=O)C(=O)c1c(-c2ccc(N3CCOCC3)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587649449 HF Annotated Clean CC(=O)Nc1ccc(O)c(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2CC(=O)O)c1 ZINC000587650506 HF Annotated Anodyne Cc1nn(-c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)cc1I ZINC000587650566 HF Annotated Anodyne COC(=O)C(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650599 HF Annotated Bother Cc1nn(C)cc1C(=O)c1c(-c2cn(C)nc2C)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650716 HF Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-n1ncc(I)c1C ZINC000587650861 HF Annotated Anodyne Cc1nn(Cn2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)n2)c(C)c1Cl ZINC000587651096 HF Annotated Anodyne Cc1c(C(=O)c2c(-c3cnn(C)c3C)[nH]c3ccc(S(C)(=O)=O)cc23)cnn1C ZINC000587651145 HF Annotated Anodyne O=C(c1cccc(I)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652022 HF Annotated Anodyne O=C(c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652377 HF Annotated Bother O=C(c1cc([N+](=O)[O-])nn1Cc1ccccc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652431 HF Annotated Bother O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652714 HF Annotated Bother Cc1nnn(C23C[C@H]4C[C@@H](CC(C(=O)n5ncc6ccc(Cl)cc6c5=O)(C4)C2)C3)n1 ZINC000587652907 HF Annotated Anodyne CC(=O)N/C(=C/c1ccccc1[N+](=O)[O-])C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587653169 HF Annotated Bother CC(=O)N/C(=C\c1ccccc1[N+](=O)[O-])C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587653171 HF Annotated Bother O=C(c1cccc(Cn2cc([N+](=O)[O-])cn2)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653207 HF Annotated Bother O=C(n1ncc2ccc(Cl)cc2c1=O)C12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 ZINC000587653430 HF Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccc(S(=O)(=O)NC2CCCC2)cn1 ZINC000587653457 HF Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1 ZINC000587653619 HF Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000587653686 HF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587653689 HF Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccc(S(=O)(=O)NCc2ccco2)cn1 ZINC000587654143 HF Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccc(S(=O)(=O)Nc2ccccn2)cn1 ZINC000587655235 HF Annotated Anodyne O=C(NCc1ccco1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655512 HF Annotated Anodyne NNC(=O)CCCCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655862 HF Annotated Reactive Cn1ncc([N+](=O)[O-])c1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655975 HF Annotated Bother O=C(NCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)c1cccnc1 ZINC000587655989 HF Annotated Anodyne NNc1nnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2ccccc12 ZINC000587656137 HF Annotated Anodyne C[C@@H](CN1CCOCC1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656183 HF Annotated Anodyne C[C@H](CN1CCOCC1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656186 HF Annotated Anodyne CN1CCN(CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CC1 ZINC000587656756 HF Annotated Anodyne O=C(Cn1ccc([N+](=O)[O-])n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657435 HF Annotated Bother Cn1cc([N+](=O)[O-])c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587657447 HF Annotated Bother COC(=O)c1cnn(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000587657500 HF Annotated Anodyne O=C1C=CC(=O)N1CCCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657549 HF Annotated Anodyne O=C(CN1CCN2CCC[C@H]2C1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657642 HF Annotated Anodyne O=C(CN1CCN2CCC[C@@H]2C1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657643 HF Annotated Anodyne NS(=O)(=O)c1ccccc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657697 HF Annotated Anodyne COc1ccc(NC(=O)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cn1 ZINC000587657846 HF Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncc(F)c(N2CCOCC2)n1 ZINC000587657951 HF Annotated Anodyne O=C(C[C@H]1CCS(=O)(=O)C1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658075 HF Annotated Anodyne O=C(C[C@@H]1CCS(=O)(=O)C1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658076 HF Annotated Anodyne O=C([C@H]1CN2CCC[C@@H]2CO1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658417 HF Annotated Anodyne O=C([C@H]1CN2CCC[C@H]2CO1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658418 HF Annotated Anodyne O=C([C@@H]1CN2CCC[C@@H]2CO1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658419 HF Annotated Anodyne O=C([C@@H]1CN2CCC[C@H]2CO1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658420 HF Annotated Anodyne O=C([C@@H]1CCc2nncn2C1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587659217 HF Annotated Anodyne O=C([C@H]1CCc2nncn2C1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587659221 HF Annotated Anodyne O=C(c1cccc(-n2cnnn2)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660219 HF Annotated Anodyne O=C(CN1CCN2CCC[C@@H]2C1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660473 HF Annotated Anodyne O=C(CN1CCN2CCC[C@H]2C1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660475 HF Annotated Anodyne COC(=O)c1cnn(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 ZINC000587660519 HF Annotated Anodyne O=C1C=CC(=O)N1CCCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660651 HF Annotated Anodyne Cc1nn(C)c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1[N+](=O)[O-] ZINC000587660695 HF Annotated Bother O=C(Cc1cc(O)nc(S)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660794 HF Annotated Anodyne O=C(NCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)c1cccnc1 ZINC000587660845 HF Annotated Anodyne Cc1c([N+](=O)[O-])c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nn1C ZINC000587660949 HF Annotated Bother COc1nn(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000587660980 HF Annotated Bother Cc1nc([N+](=O)[O-])cn1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661024 HF Annotated Bother O=C(c1ccc(-n2cnnn2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661043 HF Annotated Anodyne Cc1nn(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000587661113 HF Annotated Bother Cc1cc([N+](=O)[O-])nn1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661121 HF Annotated Bother O=C(c1ccn(Cn2cccn2)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661125 HF Annotated Anodyne O=C(C[C@H]1CCS(=O)(=O)C1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661260 HF Annotated Anodyne O=C(C[C@@H]1CCS(=O)(=O)C1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661263 HF Annotated Anodyne CC1(C)NC(=O)N(CCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C1=O ZINC000587661302 HF Annotated Anodyne C=C1C=C(C)N2N=C(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)NC2=N1 ZINC000587661583 HF Annotated Anodyne Nc1nc(-c2ccccn2)nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 ZINC000587662254 HF Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(N)cc(O)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665035 HF Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nnc(C)c(O)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665453 HF Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(O)nc(O)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665474 HF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3COCCO3)c(=O)c3ccccc23)c(O)c1 ZINC000587665960 HF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3COCCO3)c(=O)c3ccccc23)c(O)c1 ZINC000587665967 HF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)NCCOC)c(=O)c3ccccc23)c(O)c1 ZINC000587666062 HF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCC(N)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587666216 HF Annotated Anodyne CCOC(=O)C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587666840 HF Annotated Anodyne CCN(CC)c1ccc(-c2nn(CCS(C)(=O)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587666991 HF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C(=O)NC3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667362 HF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)N3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667934 HF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C(=O)NC(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587668044 HF Annotated Anodyne CCN(CC)c1ccc(-c2nn(CCN3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587668051 HF Annotated Anodyne CCOc1ccc(-c2nn(CCS(C)(=O)=O)c(=O)c3ccccc23)cc1OCC ZINC000587668471 HF Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCC(N)=O)c(=O)c3ccccc23)cc1OCC ZINC000587668766 HF Annotated Anodyne CCOc1ccc(-c2nn(-c3nncc(O)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668890 HF Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(N)cc(O)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669448 HF Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3COCCO3)c(=O)c3ccccc23)cc1OCC ZINC000587669818 HF Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3COCCO3)c(=O)c3ccccc23)cc1OCC ZINC000587669820 HF Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nc[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587670319 HF Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnn[nH]3)c(=O)c3ccccc23)cc1OCC ZINC000587671254 HF Annotated Anodyne COC(=O)/C(=C(\C)N)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689283 HF Annotated Reactive COC(=O)/C(=C(/C)N)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689288 HF Annotated Reactive COC(=O)/C(=C(\C)N)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689289 HF Annotated Reactive COC(=O)/C(=C(/C)N)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689290 HF Annotated Reactive COC(=O)/C(=C(/C)N)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689734 HF Annotated Reactive COC(=O)/C(=C(\C)N)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689735 HF Annotated Reactive COC(=O)/C(=C(\C)N)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689736 HF Annotated Reactive COC(=O)/C(=C(/C)N)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689737 HF Annotated Reactive C=CCN1N=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](Cl)C1=O ZINC000587704157 HF Annotated Reactive C=CCN1N=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](Cl)C1=O ZINC000587704158 HF Annotated Reactive C=CCN1N=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](Cl)C1=O ZINC000587704159 HF Annotated Reactive C=CCN1N=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](Cl)C1=O ZINC000587704160 HF Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(C(F)(F)F)N1 ZINC000587704729 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(C(F)(F)F)N1 ZINC000587704730 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(C(F)(F)F)N1 ZINC000587704731 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(C(F)(F)F)N1 ZINC000587704732 HF Annotated Anodyne C=CCN1N=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](Cl)C1=O ZINC000587704871 HF Annotated Reactive C=CCN1N=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](Cl)C1=O ZINC000587704873 HF Annotated Reactive C=CCN1N=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](Cl)C1=O ZINC000587704876 HF Annotated Reactive C=CCN1N=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](Cl)C1=O ZINC000587704877 HF Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(C(F)(F)F)N1 ZINC000587708202 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(C(F)(F)F)N1 ZINC000587708203 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(C(F)(F)F)N1 ZINC000587708204 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(C(F)(F)F)N1 ZINC000587708205 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2NC(=O)C=C(C(F)(F)F)N2)N1 ZINC000587716182 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2NC(=O)C=C(C(F)(F)F)N2)N1 ZINC000587716210 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2NC(=O)C=C(C(F)(F)F)N2)N1 ZINC000587716213 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2NC(=O)C=C(C(F)(F)F)N2)N1 ZINC000587716218 HF Annotated Anodyne CCOC(=O)[C@H](F)[C@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716828 HF Annotated Anodyne CCOC(=O)[C@H](F)[C@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716846 HF Annotated Anodyne CCOC(=O)[C@H](F)[C@@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716854 HF Annotated Anodyne CCOC(=O)[C@H](F)[C@@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587716862 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2NC(=O)C=C(C(F)(F)F)N2)N1 ZINC000587718538 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2NC(=O)C=C(C(F)(F)F)N2)N1 ZINC000587718539 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2NC(=O)C=C(C(F)(F)F)N2)N1 ZINC000587718540 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2NC(=O)C=C(C(F)(F)F)N2)N1 ZINC000587718541 HF Annotated Anodyne CCOC(=O)[C@H](F)[C@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723212 HF Annotated Anodyne CCOC(=O)[C@H](F)[C@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723213 HF Annotated Anodyne CCOC(=O)[C@H](F)[C@@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723214 HF Annotated Anodyne CCOC(=O)[C@H](F)[C@@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723215 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)c(F)c2)(C(O)O)N1 ZINC000587723780 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)c(F)c2)(C(O)O)N1 ZINC000587723784 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)c(F)c2)(C(O)O)N1 ZINC000587723786 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)c(F)c2)(C(O)O)N1 ZINC000587723788 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)c(F)c2)(C(O)O)N1 ZINC000587724512 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)c(F)c2)(C(O)O)N1 ZINC000587724513 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)c(F)c2)(C(O)O)N1 ZINC000587724514 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)c(F)c2)(C(O)O)N1 ZINC000587724515 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N(C)CC(=O)O)nc2)N1 ZINC000587738662 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N(C)CC(=O)O)nc2)N1 ZINC000587738667 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N(C)CC(=O)O)nc2)N1 ZINC000587738669 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N(C)CC(=O)O)nc2)N1 ZINC000587738671 HF Annotated Anodyne CCOC(=O)[C@]1(/C(C#N)=C\N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738948 HF Annotated Reactive CCOC(=O)[C@]1(/C(C#N)=C/N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738949 HF Annotated Reactive CCOC(=O)[C@]1(/C(C#N)=C/N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738950 HF Annotated Reactive CCOC(=O)[C@]1(/C(C#N)=C\N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738951 HF Annotated Reactive CCOC(=O)[C@]1(/C(C#N)=C\N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740857 HF Annotated Reactive CCOC(=O)[C@]1(/C(C#N)=C/N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740858 HF Annotated Reactive CCOC(=O)[C@]1(/C(C#N)=C/N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740859 HF Annotated Reactive CCOC(=O)[C@]1(/C(C#N)=C\N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740860 HF Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N(C)CC(=O)O)nc2)N1 ZINC000587741661 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N(C)CC(=O)O)nc2)N1 ZINC000587741663 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N(C)CC(=O)O)nc2)N1 ZINC000587741666 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N(C)CC(=O)O)nc2)N1 ZINC000587741668 HF Annotated Anodyne CC(=O)Nc1ccc([C@@]2(C(O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743414 HF Annotated Anodyne CC(=O)Nc1ccc([C@]2(C(O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743439 HF Annotated Anodyne CC(=O)Nc1ccc([C@@]2(C(O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743442 HF Annotated Anodyne CC(=O)Nc1ccc([C@]2(C(O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587743445 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc([N+](=O)[O-])cc2)(C(O)O)N1 ZINC000587743711 HF Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc([N+](=O)[O-])cc2)(C(O)O)N1 ZINC000587743716 HF Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc([N+](=O)[O-])cc2)(C(O)O)N1 ZINC000587743719 HF Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc([N+](=O)[O-])cc2)(C(O)O)N1 ZINC000587743721 HF Annotated Bother CC(=O)Nc1ccc([C@@]2(C(O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743880 HF Annotated Anodyne CC(=O)Nc1ccc([C@]2(C(O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743881 HF Annotated Anodyne CC(=O)Nc1ccc([C@@]2(C(O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743883 HF Annotated Anodyne CC(=O)Nc1ccc([C@]2(C(O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743885 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc([N+](=O)[O-])cc2)(C(O)O)N1 ZINC000587743909 HF Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc([N+](=O)[O-])cc2)(C(O)O)N1 ZINC000587743911 HF Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)(C(O)O)N1 ZINC000587743912 HF Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)(C(O)O)N1 ZINC000587743914 HF Annotated Bother Cc1nc(O)c(C(N)=O)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744472 HF Annotated Anodyne Cc1nc(O)c(C(N)=O)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744478 HF Annotated Anodyne Cc1nc(O)c(C(N)=O)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744480 HF Annotated Anodyne Cc1nc(O)c(C(N)=O)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744481 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2cnc(O)c3C(N)=O)N1 ZINC000587744952 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2cnc(O)c3C(N)=O)N1 ZINC000587744953 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2cnc(O)c3C(N)=O)N1 ZINC000587744954 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2cnc(O)c3C(N)=O)N1 ZINC000587744955 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(O)c(C(N)=O)cc32)N1 ZINC000587745754 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(O)c(C(N)=O)cc32)N1 ZINC000587745755 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(O)c(C(N)=O)cc32)N1 ZINC000587745756 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(O)c(C(N)=O)cc32)N1 ZINC000587745757 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@H](N)C(=O)O)(c2ccccc2N)N1 ZINC000587746344 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@H](N)C(=O)O)(c2ccccc2N)N1 ZINC000587746351 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@H](N)C(=O)O)(c2ccccc2N)N1 ZINC000587746354 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@H](N)C(=O)O)(c2ccccc2N)N1 ZINC000587746356 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C[C@H](N)C(=O)O)(c2ccccc2N)N1 ZINC000587746357 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@H](N)C(=O)O)(c2ccccc2N)N1 ZINC000587746358 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@H](N)C(=O)O)(c2ccccc2N)N1 ZINC000587746359 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@H](N)C(=O)O)(c2ccccc2N)N1 ZINC000587746360 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@@H](N)C(=O)O)(c2ccccc2N)N1 ZINC000587747767 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@H](N)C(=O)O)(c2ccccc2N)N1 ZINC000587747768 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@@H](N)C(=O)O)(c2ccccc2N)N1 ZINC000587747769 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@H](N)C(=O)O)(c2ccccc2N)N1 ZINC000587747770 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C[C@H](N)C(=O)O)(c2ccccc2N)N1 ZINC000587747771 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@H](N)C(=O)O)(c2ccccc2N)N1 ZINC000587747772 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@H](N)C(=O)O)(c2ccccc2N)N1 ZINC000587747773 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@H](N)C(=O)O)(c2ccccc2N)N1 ZINC000587747774 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@]2(CC(N)=O)C(=O)O)N1 ZINC000587750158 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@]2(CC(N)=O)C(=O)O)N1 ZINC000587750165 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@]2(CC(N)=O)C(=O)O)N1 ZINC000587750168 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@]2(CC(N)=O)C(=O)O)N1 ZINC000587750172 HF Annotated Anodyne Cc1nc(O)c(C(N)=O)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750440 HF Annotated Anodyne Cc1nc(O)c(C(N)=O)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750441 HF Annotated Anodyne Cc1nc(O)c(C(N)=O)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750442 HF Annotated Anodyne Cc1nc(O)c(C(N)=O)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750443 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@]2(CC(N)=O)C(=O)O)N1 ZINC000587750697 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@]2(CC(N)=O)C(=O)O)N1 ZINC000587750700 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@]2(CC(N)=O)C(=O)O)N1 ZINC000587750826 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@]2(CC(N)=O)C(=O)O)N1 ZINC000587750829 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-[n+]3cc(=O)o[nH]3)cc2)N1 ZINC000587751253 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-[n+]3cc(=O)o[nH]3)cc2)N1 ZINC000587751254 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-[n+]3cc(=O)o[nH]3)cc2)N1 ZINC000587751255 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-[n+]3cc(=O)o[nH]3)cc2)N1 ZINC000587751256 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1OC(=O)[C@H]2[N+](=O)[O-] ZINC000587751455 HF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1OC(=O)[C@@H]2[N+](=O)[O-] ZINC000587751456 HF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@H]2[N+](=O)[O-] ZINC000587751457 HF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[N+](=O)[O-] ZINC000587751458 HF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(O)c(C(N)=O)cc32)N1 ZINC000587751872 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(O)c(C(N)=O)cc32)N1 ZINC000587751875 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(O)c(C(N)=O)cc32)N1 ZINC000587751878 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(O)c(C(N)=O)cc32)N1 ZINC000587751879 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2cnc(O)c3C(N)=O)N1 ZINC000587751899 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2cnc(O)c3C(N)=O)N1 ZINC000587751900 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2cnc(O)c3C(N)=O)N1 ZINC000587751901 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2cnc(O)c3C(N)=O)N1 ZINC000587751902 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-[n+]3cc(=O)o[nH]3)cc2)N1 ZINC000587752015 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-[n+]3cc(=O)o[nH]3)cc2)N1 ZINC000587752017 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-[n+]3cc(=O)o[nH]3)cc2)N1 ZINC000587752018 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-[n+]3cc(=O)o[nH]3)cc2)N1 ZINC000587752019 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1OC(=O)[C@H]2[N+](=O)[O-] ZINC000587752619 HF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1OC(=O)[C@@H]2[N+](=O)[O-] ZINC000587752621 HF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@H]2[N+](=O)[O-] ZINC000587752622 HF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[N+](=O)[O-] ZINC000587752623 HF Annotated Mild CCOC(=O)CNc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587754471 HF Annotated Anodyne CCOC(=O)CNc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587754488 HF Annotated Anodyne CCOC(=O)CNc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587754490 HF Annotated Anodyne CCOC(=O)CNc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 ZINC000587754491 HF Annotated Anodyne CCOC(=O)CNc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587754754 HF Annotated Anodyne CCOC(=O)CNc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587754755 HF Annotated Anodyne CCOC(=O)CNc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587754756 HF Annotated Anodyne CCOC(=O)CNc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587754757 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(c2nccn2C)(c2nccn2C)N1 ZINC000587755022 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(c2nccn2C)(c2nccn2C)N1 ZINC000587755031 HF Annotated Anodyne CC(=O)N[C@H](O)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755055 HF Annotated Anodyne CC(=O)N[C@H](O)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755060 HF Annotated Anodyne CC(=O)N[C@H](O)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755061 HF Annotated Anodyne CC(=O)N[C@H](O)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755063 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N(C)C)cc2)(C(O)O)N1 ZINC000587755119 HF Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N(C)C)cc2)(C(O)O)N1 ZINC000587755121 HF Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N(C)C)cc2)(C(O)O)N1 ZINC000587755123 HF Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N(C)C)cc2)(C(O)O)N1 ZINC000587755125 HF Annotated Clean CC(=O)N[C@H](O)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755779 HF Annotated Anodyne CC(=O)N[C@H](O)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755782 HF Annotated Anodyne CC(=O)N[C@H](O)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755784 HF Annotated Anodyne CC(=O)N[C@H](O)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755786 HF Annotated Anodyne CCOC(=O)Cn1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587755921 HF Annotated Anodyne CCOC(=O)Cn1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587755922 HF Annotated Anodyne CCOC(=O)Cn1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587755923 HF Annotated Anodyne CCOC(=O)Cn1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587755924 HF Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587756725 HF Annotated Anodyne CCOC(=O)c1cn(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587756726 HF Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587756727 HF Annotated Anodyne CCOC(=O)c1cn(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587756728 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(c2nccn2C)(c2nccn2C)N1 ZINC000587757362 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(c2nccn2C)(c2nccn2C)N1 ZINC000587757363 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N(C)C)cc2)(C(O)O)N1 ZINC000587758425 HF Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N(C)C)cc2)(C(O)O)N1 ZINC000587758428 HF Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N(C)C)cc2)(C(O)O)N1 ZINC000587758431 HF Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N(C)C)cc2)(C(O)O)N1 ZINC000587758432 HF Annotated Clean CCOC(=O)c1cn(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587759067 HF Annotated Anodyne CCOC(=O)c1cn(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587759068 HF Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587759069 HF Annotated Anodyne CCOC(=O)c1cn(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587759070 HF Annotated Anodyne CC1=C[C@]2(CC(=O)N1[C@H](C)C(=O)O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760052 HF Annotated Anodyne CC1=C[C@]2(CC(=O)N1[C@@H](C)C(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760057 HF Annotated Anodyne CC1=C[C@]2(CC(=O)N1[C@@H](C)C(=O)O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760059 HF Annotated Anodyne CC1=C[C@]2(CC(=O)N1[C@H](C)C(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760061 HF Annotated Anodyne CC1=C[C@]2(CC(=O)N1[C@H](C)C(=O)O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760111 HF Annotated Anodyne CC1=C[C@]2(CC(=O)N1[C@@H](C)C(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760113 HF Annotated Anodyne CC1=C[C@]2(CC(=O)N1[C@@H](C)C(=O)O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760115 HF Annotated Anodyne CC1=C[C@]2(CC(=O)N1[C@H](C)C(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760117 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C)c1c2cnn1C ZINC000587760714 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C)c1c2cnn1C ZINC000587760717 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C)c1c2cnn1C ZINC000587760718 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C)c1c2cnn1C ZINC000587760719 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C)c1c2cnn1C ZINC000587760959 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C)c1c2cnn1C ZINC000587760960 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C)c1c2cnn1C ZINC000587760961 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C)c1c2cnn1C ZINC000587760962 HF Annotated Anodyne CC1=C[C@@]2(CC(=O)N1CCC(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762037 HF Annotated Anodyne CC1=C[C@]2(CC(=O)N1CCC(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762045 HF Annotated Anodyne CC1=C[C@]2(CC(=O)N1CCC(=O)O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762048 HF Annotated Anodyne CC1=C[C@@]2(CC(=O)N1CCC(=O)O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762050 HF Annotated Anodyne CC1=C[C@@]2(CC(=O)N1CCC(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762180 HF Annotated Anodyne CC1=C[C@]2(CC(=O)N1CCC(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762181 HF Annotated Anodyne CC1=C[C@]2(CC(=O)N1CCC(=O)O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762182 HF Annotated Anodyne CC1=C[C@@]2(CC(=O)N1CCC(=O)O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762184 HF Annotated Anodyne CCOC(=O)Cn1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587762400 HF Annotated Anodyne CCOC(=O)Cn1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587762401 HF Annotated Anodyne CCOC(=O)Cn1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587762402 HF Annotated Anodyne CCOC(=O)Cn1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587762403 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC(CN3CCCC3)=CC2=O)N1 ZINC000587764246 HF Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC(CN3CCCC3)=CC2=O)N1 ZINC000587764247 HF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(COC(CN3CCCC3)=CC2=O)N1 ZINC000587764248 HF Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(COC(CN3CCCC3)=CC2=O)N1 ZINC000587764249 HF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CN3CCCC3)OCC2=O)N1 ZINC000587764326 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CN3CCCC3)OCC2=O)N1 ZINC000587764327 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CN3CCCC3)OCC2=O)N1 ZINC000587764328 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CN3CCCC3)OCC2=O)N1 ZINC000587764329 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(COC(CN3CCCC3)=CC2=O)N1 ZINC000587764417 HF Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(COC(CN3CCCC3)=CC2=O)N1 ZINC000587764419 HF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC(CN3CCCC3)=CC2=O)N1 ZINC000587764421 HF Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC(CN3CCCC3)=CC2=O)N1 ZINC000587764424 HF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(c(C(=O)O)nn3C)C2)N1 ZINC000587765362 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(c(C(=O)O)nn3C)C2)N1 ZINC000587765364 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(c(C(=O)O)nn3C)C2)N1 ZINC000587765366 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(c(C(=O)O)nn3C)C2)N1 ZINC000587765370 HF Annotated Anodyne COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@]13N[C@H](C)Cc1cc(Br)c(F)cc13)N2C ZINC000587765718 HF Annotated Anodyne COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@]13N[C@H](C)Cc1cc(Br)c(F)cc13)N2C ZINC000587765719 HF Annotated Anodyne COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@]13N[C@@H](C)Cc1cc(Br)c(F)cc13)N2C ZINC000587765720 HF Annotated Anodyne COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@]13N[C@@H](C)Cc1cc(Br)c(F)cc13)N2C ZINC000587765721 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(c(C(=O)O)nn3C)C2)N1 ZINC000587766832 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(c(C(=O)O)nn3C)C2)N1 ZINC000587766834 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(c(C(=O)O)nn3C)C2)N1 ZINC000587766835 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(c(C(=O)O)nn3C)C2)N1 ZINC000587766837 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(CC(=O)O)c1ccccc12 ZINC000587768655 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(CC(=O)O)c1ccccc12 ZINC000587768656 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCN(C)CC3)nc2)N1 ZINC000587768847 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCN(C)CC3)nc2)N1 ZINC000587768860 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCN(C)CC3)nc2)N1 ZINC000587768862 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCN(C)CC3)nc2)N1 ZINC000587768864 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(CC(=O)O)c1ccccc12 ZINC000587769000 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(CC(=O)O)c1ccccc12 ZINC000587769002 HF Annotated Anodyne CCOC(=O)C1=CN(C)C(=O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587769466 HF Annotated Anodyne CCOC(=O)C1=CN(C)C(=O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587769473 HF Annotated Anodyne CCOC(=O)C1=CN(C)C(=O)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587769477 HF Annotated Anodyne CCOC(=O)C1=CN(C)C(=O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587769480 HF Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cnccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587769529 HF Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cnccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587769535 HF Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cnccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587769537 HF Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cnccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587769539 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCN(C)CC3)nc2)N1 ZINC000587769668 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCN(C)CC3)nc2)N1 ZINC000587769669 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCN(C)CC3)nc2)N1 ZINC000587769670 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCN(C)CC3)nc2)N1 ZINC000587769671 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CN3CCCC3)OCC2=O)N1 ZINC000587769930 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CN3CCCC3)OCC2=O)N1 ZINC000587769933 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CN3CCCC3)OCC2=O)N1 ZINC000587769937 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CN3CCCC3)OCC2=O)N1 ZINC000587769941 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(CC(=O)O)c1ccccc12 ZINC000587770841 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(CC(=O)O)c1ccccc12 ZINC000587770842 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(CC(=O)O)c1ccccc12 ZINC000587770843 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(CC(=O)O)c1ccccc12 ZINC000587770844 HF Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cnccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587770890 HF Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cnccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587770891 HF Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cnccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587770892 HF Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cnccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587770893 HF Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@]13N[C@@H](C)Cc1cc(Br)c(F)cc13)N2C ZINC000587771013 HF Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@]13N[C@@H](C)Cc1cc(Br)c(F)cc13)N2C ZINC000587771015 HF Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@]13N[C@H](C)Cc1cc(Br)c(F)cc13)N2C ZINC000587771017 HF Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@]13N[C@H](C)Cc1cc(Br)c(F)cc13)N2C ZINC000587771019 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587771806 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587771811 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587771812 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587771813 HF Annotated Anodyne CCOC(=O)[C@@]1(c2cnc(OC)nc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773872 HF Annotated Anodyne CCOC(=O)[C@]1(c2cnc(OC)nc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773873 HF Annotated Anodyne CCOC(=O)[C@]1(c2cnc(OC)nc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773874 HF Annotated Anodyne CCOC(=O)[C@@]1(c2cnc(OC)nc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773875 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774058 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774059 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774061 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774063 HF Annotated Anodyne CCOC(=O)[C@@]1(c2cnc(OC)nc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774352 HF Annotated Anodyne CCOC(=O)[C@]1(c2cnc(OC)nc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774353 HF Annotated Anodyne CCOC(=O)[C@]1(c2cnc(OC)nc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774354 HF Annotated Anodyne CCOC(=O)[C@@]1(c2cnc(OC)nc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774355 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCOCC3)nc2)N1 ZINC000587775574 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCOCC3)nc2)N1 ZINC000587775575 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCOCC3)nc2)N1 ZINC000587775577 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCOCC3)nc2)N1 ZINC000587775578 HF Annotated Anodyne CCOC(=O)C1=CN(C)C(=O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587775706 HF Annotated Anodyne CCOC(=O)C1=CN(C)C(=O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587775707 HF Annotated Anodyne CCOC(=O)C1=CN(C)C(=O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587775708 HF Annotated Anodyne CCOC(=O)C1=CN(C)C(=O)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587775709 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCOCC3)nc2)N1 ZINC000587777237 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCOCC3)nc2)N1 ZINC000587777239 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCOCC3)nc2)N1 ZINC000587777241 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCOCC3)nc2)N1 ZINC000587777243 HF Annotated Anodyne CCOCCOCc1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587777869 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccncc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587778421 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccncc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587778422 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccncc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587778423 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccncc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587778424 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccncc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587779827 HF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccncc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587779828 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccncc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587779829 HF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccncc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587779830 HF Annotated Anodyne O=S(=O)(c1ccc2nc(COC/C=C\c3ccccc3)[nH]c2c1)N1CCOCC1 ZINC000587781431 HF Annotated Anodyne O=S(=O)(c1ccc2nc(COC/C=C/c3ccccc3)[nH]c2c1)N1CCOCC1 ZINC000587781433 HF Annotated Anodyne O=C(c1ccc2nc(COC/C=C\c3ccccc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587781659 HF Annotated Anodyne O=C(c1ccc2nc(COC/C=C/c3ccccc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587781664 HF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CC(=O)OCc3ccccc3)[nH]c2c1 ZINC000587781726 HF Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587785963 HF Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587786428 HF Annotated Anodyne COC(=O)C1=C2CCCN2C(=O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587789146 HF Annotated Anodyne COC(=O)C1=C2CCCN2C(=O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587789150 HF Annotated Anodyne COC(=O)C1=C2CCCN2C(=O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587789152 HF Annotated Anodyne COC(=O)C1=C2CCCN2C(=O)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587789154 HF Annotated Anodyne COC(=O)C[C@@]1(C(C)(OC)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790661 HF Annotated Anodyne COC(=O)C[C@]1(C(C)(OC)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790662 HF Annotated Anodyne COC(=O)C[C@@]1(C(C)(OC)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790663 HF Annotated Anodyne COC(=O)C[C@]1(C(C)(OC)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790664 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)N3CCCC3=C2C(=O)O)N1 ZINC000587791247 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)N3CCCC3=C2C(=O)O)N1 ZINC000587791248 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)N3CCCC3=C2C(=O)O)N1 ZINC000587791249 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)N3CCCC3=C2C(=O)O)N1 ZINC000587791250 HF Annotated Anodyne CCC12CN3CCN(CC(C3)[C@]13N[C@@H](C)Cc1cc(Br)c(F)cc13)C2 ZINC000587791578 HF Annotated Anodyne CCC12CN3CCN(CC(C3)[C@@]13N[C@@H](C)Cc1cc(Br)c(F)cc13)C2 ZINC000587791582 HF Annotated Anodyne CCC12CN3CCN(CC(C3)[C@@]13N[C@H](C)Cc1cc(Br)c(F)cc13)C2 ZINC000587791586 HF Annotated Anodyne CCC12CN3CCN(CC(C3)[C@]13N[C@H](C)Cc1cc(Br)c(F)cc13)C2 ZINC000587791590 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)N3CCCC3=C2C(=O)O)N1 ZINC000587791736 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)N3CCCC3=C2C(=O)O)N1 ZINC000587791738 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)N3CCCC3=C2C(=O)O)N1 ZINC000587791739 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)N3CCCC3=C2C(=O)O)N1 ZINC000587791740 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)C1(C)CN3CCN(C1)CC2(C)C3 ZINC000587792063 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)C1(C)CN3CCN(C1)CC2(C)C3 ZINC000587792066 HF Annotated Anodyne CCC12CN3CCN(CC(C3)[C@]13N[C@@H](C)Cc1ccc(F)c(Br)c13)C2 ZINC000587792549 HF Annotated Anodyne CCC12CN3CCN(CC(C3)[C@@]13N[C@@H](C)Cc1ccc(F)c(Br)c13)C2 ZINC000587792550 HF Annotated Anodyne CCC12CN3CCN(CC(C3)[C@@]13N[C@H](C)Cc1ccc(F)c(Br)c13)C2 ZINC000587792551 HF Annotated Anodyne CCC12CN3CCN(CC(C3)[C@]13N[C@H](C)Cc1ccc(F)c(Br)c13)C2 ZINC000587792552 HF Annotated Anodyne COC(=O)C1=C2CCCN2C(=O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587793663 HF Annotated Anodyne COC(=O)C1=C2CCCN2C(=O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587793665 HF Annotated Anodyne COC(=O)C1=C2CCCN2C(=O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587793668 HF Annotated Anodyne COC(=O)C1=C2CCCN2C(=O)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587793671 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C1(C)CN3CCN(C1)CC2(C)C3 ZINC000587796042 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)C1(C)CN3CCN(C1)CC2(C)C3 ZINC000587796043 HF Annotated Anodyne CCOC(=O)C[C@@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796994 HF Annotated Anodyne CCOC(=O)C[C@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797027 HF Annotated Anodyne CCOC(=O)C[C@@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797030 HF Annotated Anodyne CCOC(=O)C[C@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797032 HF Annotated Anodyne COC(=O)C[C@@]1(C(C)(OC)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798404 HF Annotated Anodyne COC(=O)C[C@]1(C(C)(OC)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798405 HF Annotated Anodyne COC(=O)C[C@@]1(C(C)(OC)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798406 HF Annotated Anodyne COC(=O)C[C@]1(C(C)(OC)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798407 HF Annotated Anodyne CCOC(=O)C[C@@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798986 HF Annotated Anodyne CCOC(=O)C[C@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798987 HF Annotated Anodyne CCOC(=O)C[C@@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798988 HF Annotated Anodyne CCOC(=O)C[C@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798989 HF Annotated Anodyne COC(=O)C[C@H](C(=O)OC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808658 HF Annotated Anodyne COC(=O)C[C@H](C(=O)OC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808660 HF Annotated Anodyne COC(=O)C[C@H](C(=O)OC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808662 HF Annotated Anodyne COC(=O)C[C@H](C(=O)OC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808665 HF Annotated Anodyne COC(=O)C[C@H](C(=O)OC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809093 HF Annotated Anodyne COC(=O)C[C@H](C(=O)OC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809095 HF Annotated Anodyne COC(=O)C[C@H](C(=O)OC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809097 HF Annotated Anodyne COC(=O)C[C@H](C(=O)OC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809098 HF Annotated Anodyne COC(=O)[C@@H]1CC2(C[C@H]1C(=O)OC)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809495 HF Annotated Anodyne COC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OC)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809498 HF Annotated Anodyne COC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OC)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809502 HF Annotated Anodyne COC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OC)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809507 HF Annotated Anodyne COC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OC)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809511 HF Annotated Anodyne COC(=O)[C@@H]1CC2(C[C@H]1C(=O)OC)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809515 HF Annotated Anodyne COC(=O)[C@@H]1CC2(C[C@H]1C(=O)OC)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810181 HF Annotated Anodyne COC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OC)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810185 HF Annotated Anodyne COC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OC)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810188 HF Annotated Anodyne COC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OC)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810190 HF Annotated Anodyne COC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OC)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810192 HF Annotated Anodyne COC(=O)[C@@H]1CC2(C[C@H]1C(=O)OC)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810194 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@H]2[C@H](C(=O)O)[C@@H]3C(=O)O)N1 ZINC000587824451 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@H]2[C@H](C(=O)O)[C@H]3C(=O)O)N1 ZINC000587824454 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@H]2[C@@H](C(=O)O)[C@@H]3C(=O)O)N1 ZINC000587824457 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@H]2[C@@H](C(=O)O)[C@H]3C(=O)O)N1 ZINC000587824464 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](C(=O)O)[C@H](C(=O)O)C2)N1 ZINC000587826867 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](C(=O)O)[C@H](C(=O)O)C2)N1 ZINC000587826868 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](C(=O)O)[C@H](C(=O)O)C2)N1 ZINC000587826870 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](C(=O)O)[C@H](C(=O)O)C2)N1 ZINC000587826871 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@H]2[C@H](C(=O)O)[C@H]3C(=O)O)N1 ZINC000587829513 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@H]2[C@@H](C(=O)O)[C@@H]3C(=O)O)N1 ZINC000587829516 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@H]2[C@@H](C(=O)O)[C@H]3C(=O)O)N1 ZINC000587829518 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@H]2[C@H](C(=O)O)[C@@H]3C(=O)O)N1 ZINC000587829519 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](C(=O)O)[C@H](C(=O)O)C2)N1 ZINC000587830235 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](C(=O)O)[C@H](C(=O)O)C2)N1 ZINC000587830237 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](C(=O)O)[C@H](C(=O)O)C2)N1 ZINC000587830239 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](C(=O)O)[C@H](C(=O)O)C2)N1 ZINC000587830241 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2C(=O)OC(C)(C)OC2=O)N1 ZINC000587832894 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2C(=O)OC(C)(C)OC2=O)N1 ZINC000587832897 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2C(=O)OC(C)(C)OC2=O)N1 ZINC000587832899 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2C(=O)OC(C)(C)OC2=O)N1 ZINC000587832901 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1C(=O)[C@@H]2O ZINC000587833330 HF Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1C(=O)[C@@H]2O ZINC000587833333 HF Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1C(=O)[C@H]2O ZINC000587833335 HF Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1C(=O)[C@H]2O ZINC000587833337 HF Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1C(=O)[C@@H]2O ZINC000587833854 HF Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1C(=O)[C@@H]2O ZINC000587833858 HF Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1C(=O)[C@H]2O ZINC000587833862 HF Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1C(=O)[C@H]2O ZINC000587833864 HF Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2C(=O)OC(C)(C)OC2=O)N1 ZINC000587835649 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2C(=O)OC(C)(C)OC2=O)N1 ZINC000587835650 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2C(=O)OC(C)(C)OC2=O)N1 ZINC000587835651 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2C(=O)OC(C)(C)OC2=O)N1 ZINC000587835652 HF Annotated Anodyne CC(C)[C@@]1(CS(=O)(=O)N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840954 HF Annotated Anodyne CC(C)[C@]1(CS(=O)(=O)N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840964 HF Annotated Anodyne CC(C)[C@@]1(CS(=O)(=O)N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840965 HF Annotated Anodyne CC(C)[C@]1(CS(=O)(=O)N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840966 HF Annotated Anodyne CC(C)[C@@]1(CS(=O)(=O)N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843481 HF Annotated Anodyne CC(C)[C@]1(CS(=O)(=O)N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843483 HF Annotated Anodyne CC(C)[C@@]1(CS(=O)(=O)N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843485 HF Annotated Anodyne CC(C)[C@]1(CS(=O)(=O)N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843487 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CNS(=O)(=O)c3ccsc32)N1 ZINC000587843621 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CNS(=O)(=O)c3ccsc32)N1 ZINC000587843626 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CNS(=O)(=O)c3ccsc32)N1 ZINC000587843628 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CNS(=O)(=O)c3ccsc32)N1 ZINC000587843630 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CNS(=O)(=O)c3ccsc32)N1 ZINC000587845656 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CNS(=O)(=O)c3ccsc32)N1 ZINC000587845659 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CNS(=O)(=O)c3ccsc32)N1 ZINC000587845661 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CNS(=O)(=O)c3ccsc32)N1 ZINC000587845663 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccccn2)N1 ZINC000587848229 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccccn2)N1 ZINC000587848230 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccccn2)N1 ZINC000587848231 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccccn2)N1 ZINC000587848232 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccccn2)N1 ZINC000587848259 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccccn2)N1 ZINC000587848261 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccccn2)N1 ZINC000587848262 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccccn2)N1 ZINC000587848263 HF Annotated Anodyne CCOC(=O)[C@@]1(c2csc(N)n2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850238 HF Annotated Anodyne CCOC(=O)[C@@]1(c2csc(N)n2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850239 HF Annotated Anodyne CCOC(=O)[C@]1(c2csc(N)n2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850240 HF Annotated Anodyne CCOC(=O)[C@]1(c2csc(N)n2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587850241 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2cccnc2)N1 ZINC000587851375 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2cccnc2)N1 ZINC000587851376 HF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2cccnc2)N1 ZINC000587851377 HF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2cccnc2)N1 ZINC000587851378 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2cccnc2)N1 ZINC000587851644 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2cccnc2)N1 ZINC000587851646 HF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2cccnc2)N1 ZINC000587851648 HF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2cccnc2)N1 ZINC000587851650 HF Annotated Anodyne CCOC(=O)[C@]1(c2csc(N)n2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852648 HF Annotated Anodyne CCOC(=O)[C@]1(c2csc(N)n2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852649 HF Annotated Anodyne CCOC(=O)[C@@]1(c2csc(N)n2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852650 HF Annotated Anodyne CCOC(=O)[C@@]1(c2csc(N)n2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852651 HF Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CN(C)S(C)(=O)=O ZINC000587860322 HF Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)NS(C)(=O)=O ZINC000587860525 HF Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)NS(C)(=O)=O ZINC000587860530 HF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1cnc([N+](=O)[O-])n1 ZINC000587862981 HF Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CN1CCN2CCC[C@H]2C1 ZINC000587863219 HF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CN1CCN2CCC[C@@H]2C1 ZINC000587863223 HF Annotated Anodyne COC(=O)c1cnn(CC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1 ZINC000587863237 HF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCSCCC(=O)NN ZINC000587863386 HF Annotated Reactive COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCN1C(=O)NC(C)(C)C1=O ZINC000587863526 HF Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000587865514 HF Annotated Bother CCN=c1nc(-n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)[nH]c(=NCC)[nH]1 ZINC000587865756 HF Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(S(N)(=O)=O)cn1 ZINC000587866245 HF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(Br)nn1C ZINC000587866439 HF Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)NS(C)(=O)=O ZINC000587866501 HF Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)NS(C)(=O)=O ZINC000587866502 HF Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1[nH]cnc1C(=O)NC ZINC000587867101 HF Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000587867455 HF Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000587867456 HF Annotated Anodyne COc1ccc(NC(=O)C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cn1 ZINC000587867523 HF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000587867945 HF Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC000587868028 HF Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1 ZINC000587868194 HF Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)n1cc([N+](=O)[O-])cn1 ZINC000587868197 HF Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nn(C)c(C)c1[N+](=O)[O-] ZINC000587868214 HF Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1ccc([N+](=O)[O-])n1 ZINC000587868419 HF Annotated Bother CCn1cc([N+](=O)[O-])c(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n1 ZINC000587868428 HF Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000587868503 HF Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1nc([N+](=O)[O-])cc1C ZINC000587868647 HF Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(Cn2cccn2)n1 ZINC000587868792 HF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000587868811 HF Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(N)nc(-c2ccccn2)n1 ZINC000587868833 HF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnc(NN)c2ccccc12 ZINC000587868954 HF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000587868968 HF Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000587869108 HF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(=O)n(CC(C)C)c(O)n1 ZINC000587869120 HF Annotated Anodyne C=C1C=C(C)N2N=C(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)NC2=N1 ZINC000587869129 HF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(-n2cnnn2)c1 ZINC000587869420 HF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C1=NS(=O)(=O)c2ccccc21 ZINC000587869624 HF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC000587869679 HF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CCc2nnc(C)n2C1 ZINC000587869680 HF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1cc(O)nc(S)n1 ZINC000587869816 HF Annotated Anodyne CNC(=O)c1c(C)[nH]c(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1C ZINC000587869851 HF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(C(=O)N2CCCC2)cn1 ZINC000587869854 HF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1cc([N+](=O)[O-])c(OC)n1 ZINC000587871247 HF Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCCCN1C(=O)CN(C)C1=O ZINC000587871658 HF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000587871662 HF Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 ZINC000587872290 HF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 ZINC000587872291 HF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)NC2CC2)cn1 ZINC000587872350 HF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1c(O)nc2ccccc2c1=O ZINC000587872601 HF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCSSCCC(=O)NN ZINC000587873270 HF Annotated Reactive CCOc1cc(-c2cccc(F)c2)nn1C(=O)C[S@@](=O)Cn1cc(Cl)cn1 ZINC000587873350 HF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C[S@](=O)Cn1cc(Cl)cn1 ZINC000587873360 HF Annotated Anodyne Cn1ncc(I)c1C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873817 HF Annotated Anodyne Cn1cc(I)c(C(=O)n2nc3cc2oc2ccc(F)cc32)n1 ZINC000587874198 HF Annotated Anodyne COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)NN)c1C ZINC000587876422 HF Annotated Reactive COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)c1C(=O)O ZINC000587876633 HF Annotated Mild O=S(=O)(c1ccccc1-n1nc2cc1oc1ccc(F)cc21)N1CCOCC1 ZINC000587876699 HF Annotated Anodyne CCOC(=O)c1nn(C(=O)[C@@H](CC)n2cc(Br)cn2)c(OCC)c1C#N ZINC000587876974 HF Annotated Mild CCOC(=O)c1nn(C(=O)[C@H](CC)n2cc(Br)cn2)c(OCC)c1C#N ZINC000587876996 HF Annotated Mild COc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc(N)c1C(=O)O ZINC000587877035 HF Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)O)c1N ZINC000587877114 HF Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)O)cc1[N+](=O)[O-] ZINC000587877310 HF Annotated Mild COC(=O)c1cc(N)c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877317 HF Annotated Mild COc1cc(N)c(C(=O)O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877478 HF Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)c(C(=O)O)c1 ZINC000587877607 HF Annotated Mild COC(=O)c1cc(N)c(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878042 HF Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)cc1O ZINC000587878159 HF Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(O)cc1O ZINC000587878279 HF Annotated Mild COC(=O)c1ccc(CN)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878377 HF Annotated Mild CNC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000587878456 HF Annotated Mild COC(=O)c1ccc(CO)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878461 HF Annotated Mild COC(=O)c1ccc(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587878516 HF Annotated Mild NC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000587878687 HF Annotated Mild NC(=O)c1cc([N+](=O)[O-])ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878735 HF Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([C@H](N)C(=O)O)c1 ZINC000587878958 HF Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([C@@H](N)C(=O)O)c1 ZINC000587878959 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1-n1cc(CO)nn1 ZINC000587879600 HF Annotated Mild COC(=O)[C@@H](N)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879955 HF Annotated Mild COC(=O)[C@H](N)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879956 HF Annotated Mild O=Cc1ccc(OCCO)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880021 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2nc[nH]c2nc1C(=O)O ZINC000587880038 HF Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(N)c1O ZINC000587880314 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2nccnc2nc1C(=O)O ZINC000587880476 HF Annotated Mild CCOC(=O)c1[nH]nc(OC)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880607 HF Annotated Mild Nc1c(C(=O)O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587880690 HF Annotated Mild CC(=O)Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(N)=O ZINC000587880715 HF Annotated Mild Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1NC(=O)CN ZINC000587881094 HF Annotated Mild NC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000587881113 HF Annotated Mild NC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)O ZINC000587881347 HF Annotated Mild COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C#N)n1 ZINC000587881649 HF Annotated Mild COC(=O)c1cnc(OC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587881653 HF Annotated Mild CC(=O)Nc1ncc([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881735 HF Annotated Mild N=c1nc(-c2ccncc2)[nH]cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881753 HF Annotated Mild NNC(=O)C1(c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)CC1 ZINC000587881779 HF Annotated Reactive C[C@@H](Oc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(N)=O ZINC000587882084 HF Annotated Mild C[C@H](Oc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(N)=O ZINC000587882085 HF Annotated Mild NCC1(c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)COC1 ZINC000587882086 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C2(CO)COC2)c1 ZINC000587882223 HF Annotated Mild NC[C@H](Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)O ZINC000587882477 HF Annotated Mild NC[C@@H](Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)O ZINC000587882478 HF Annotated Mild CN(C)C(=O)c1cc(N)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882503 HF Annotated Mild COC(=O)[C@@H](N)Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882520 HF Annotated Mild COC(=O)[C@H](N)Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882521 HF Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[C@H](N)CO ZINC000587882606 HF Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[C@@H](N)CO ZINC000587882607 HF Annotated Mild COC(=O)[C@@H](N)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882675 HF Annotated Mild COC(=O)[C@H](N)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882676 HF Annotated Mild O=C(O)COc1cc(O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882719 HF Annotated Mild NCCCNC(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882742 HF Annotated Mild C[C@@](N)(C(=O)O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882759 HF Annotated Mild C[C@](N)(C(=O)O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882762 HF Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[C@H](N)C(=O)O ZINC000587882774 HF Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[C@@H](N)C(=O)O ZINC000587882775 HF Annotated Mild CNC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000587882928 HF Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)C(=O)O ZINC000587882984 HF Annotated Mild NC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000587883048 HF Annotated Mild NNC(=O)C1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000587883206 HF Annotated Reactive NC[C@H](Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587884362 HF Annotated Mild NC[C@@H](Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)O ZINC000587884363 HF Annotated Mild CC(CO)(CO)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884396 HF Annotated Mild COC(=O)[C@@H](N)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884827 HF Annotated Mild COC(=O)[C@H](N)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884830 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)[C@@H](C(=O)O)NCC2 ZINC000587885012 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)[C@H](C(=O)O)NCC2 ZINC000587885013 HF Annotated Mild CC[C@@](O)(C(N)=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885029 HF Annotated Mild CC[C@](O)(C(N)=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885031 HF Annotated Mild COc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1CC(=O)O ZINC000587885418 HF Annotated Mild COC(=O)/C=C\c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1N ZINC000587885511 HF Annotated Mild COC(=O)/C=C/c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1N ZINC000587885512 HF Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1OC ZINC000587885539 HF Annotated Mild CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1N ZINC000587885565 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1[N+](=O)[O-])C(=O)NC2 ZINC000587885708 HF Annotated Mild CN(C)c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)O ZINC000587885714 HF Annotated Mild Nc1cc2c(cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)NC(=O)CO2 ZINC000587885787 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1CO)OCC(=O)N2 ZINC000587885912 HF Annotated Mild NC(=O)c1cc2c(cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)OCO2 ZINC000587885921 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnn(CC2CCNCC2)c1 ZINC000587885965 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N2CCNCC2=O)cc1 ZINC000587886001 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nnc(C(=O)O)nc2c1 ZINC000587886464 HF Annotated Mild C[C@@H](Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(N)=O ZINC000587886754 HF Annotated Mild C[C@H](Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(N)=O ZINC000587886755 HF Annotated Mild Nc1nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(C(=O)O)c2o1 ZINC000587886799 HF Annotated Mild CON(C)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887151 HF Annotated Mild COC(=O)c1cc(OC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887176 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(OC2CCNCC2)nc1 ZINC000587887292 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc([N+](=O)[O-])cc1C(=O)O ZINC000587887405 HF Annotated Mild CC(=O)Nc1cc(C(=O)O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887424 HF Annotated Mild Cc1cc(N(C)CCO)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587887451 HF Annotated Mild CCOC(=O)c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N ZINC000587887481 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(O[C@H]2CCCNC2)nc1 ZINC000587887490 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(O[C@@H]2CCCNC2)nc1 ZINC000587887491 HF Annotated Mild COC(=O)CN(C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887494 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(C(=O)O)c([N+](=O)[O-])c1 ZINC000587887505 HF Annotated Mild COC(=O)CNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887507 HF Annotated Mild COC(=O)c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC ZINC000587887574 HF Annotated Mild COCCCNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887620 HF Annotated Mild CC(=O)Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1C(=O)O ZINC000587887638 HF Annotated Mild NCCCCNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887641 HF Annotated Mild COC(CNc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1)OC ZINC000587887648 HF Annotated Mild Cc1cc(NCCN(C)C)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587887667 HF Annotated Mild Nc1nnc(-c2cncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)o1 ZINC000587887932 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c[nH]c(C(=O)N2CCOCC2)c1 ZINC000587888085 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(c1C(=O)O)OCCO2 ZINC000587888188 HF Annotated Mild COC(=O)CC(=O)c1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587888201 HF Annotated Mild CON(C)C(=O)c1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587888212 HF Annotated Mild COc1ncnc2c1c(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)cn2C ZINC000587888382 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2nc(O)oc(=O)c12 ZINC000587888385 HF Annotated Mild COC(=O)c1[nH]nc2cncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c12 ZINC000587888459 HF Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c1NC(=O)C2=O ZINC000587888654 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC000587888723 HF Annotated Mild CON(C)C(=O)c1cccnc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587888742 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncc(C(=O)NC2CC2)c1 ZINC000587888813 HF Annotated Mild O=Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc2c1OCCO2 ZINC000587888902 HF Annotated Mild Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cncc1C1(O)COC1 ZINC000587889247 HF Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(c1)NC(=O)C2=O ZINC000587889378 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ncc([N+](=O)[O-])cc1C(=O)O ZINC000587889564 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)NC2CC2)ccn1 ZINC000587889691 HF Annotated Mild COC(=O)c1cnc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000587889781 HF Annotated Mild COC(=O)c1nc(Cl)cnc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889800 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)c([N+](=O)[O-])cn1 ZINC000587889818 HF Annotated Mild Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nc1N1CCOCC1 ZINC000587889848 HF Annotated Mild Nc1nc2cc(C(=O)O)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2o1 ZINC000587889901 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1nc(C(=O)O)ccc1[N+](=O)[O-] ZINC000587889916 HF Annotated Mild COC(=O)c1ccc(OC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000587889933 HF Annotated Mild CCN(CC)c1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1N ZINC000587889978 HF Annotated Mild COC(=O)c1cnc2n[nH]c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2c1 ZINC000587890404 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1[nH]nc2ncc([N+](=O)[O-])cc12 ZINC000587890570 HF Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn2cc(C(N)=O)nc12 ZINC000587890672 HF Annotated Mild CCNc1nnc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn12 ZINC000587890812 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])c2nncn2c1 ZINC000587891025 HF Annotated Mild CC1(C)O[C@@H]2C(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)=C[C@H]3O[C@H]3[C@@H]2O1 ZINC000587891029 HF Annotated Mild COC(=O)c1cc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2n1 ZINC000587891045 HF Annotated Mild COC(=O)c1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn2ccnc12 ZINC000587891080 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(OC(F)F)n[nH]c1C(=O)O ZINC000587891970 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H](O)C(=O)O)c(F)c1 ZINC000587894359 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H](O)C(=O)O)c(F)c1 ZINC000587894362 HF Annotated Mild NC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(F)c([N+](=O)[O-])c1 ZINC000587894490 HF Annotated Mild Cc1ccc(S(N)(=O)=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587894933 HF Annotated Mild NNC(=S)Nc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587895377 HF Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1S(N)(=O)=O ZINC000587895715 HF Annotated Mild NS(=O)(=O)/C=C/c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896495 HF Annotated Mild CNS(=O)(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896504 HF Annotated Mild Cc1cccc(S(N)(=O)=O)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896526 HF Annotated Mild Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1S(N)(=O)=O ZINC000587896790 HF Annotated Mild CCc1sc(C(=O)NN)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896810 HF Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-n2nnnc2S)cc1 ZINC000587897213 HF Annotated Mild CCOC(=O)c1nc(N)sc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897388 HF Annotated Mild N[C@@H](Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1)C(=O)O ZINC000587897445 HF Annotated Mild N[C@H](Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1)C(=O)O ZINC000587897446 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc(N2CCOCC2)n1 ZINC000587897657 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H]2CNCCN2)s1 ZINC000587897673 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H]2CNCCN2)s1 ZINC000587897674 HF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ncsc1C1(O)CCNCC1 ZINC000587898659 HF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(CNC[C@H](O)CO)cc1Br ZINC000587899419 HF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(CNC[C@@H](O)CO)cc1Br ZINC000587899423 HF Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(CNC[C@H](O)CO)ccc1Br ZINC000587900750 HF Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(CNC[C@@H](O)CO)ccc1Br ZINC000587900752 HF Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(Cn2ccc(C(=O)N3CCCC3)n2)c1 ZINC000587909345 HF Annotated Mild CCc1c(Br)n2c(C#Cc3cc(Cl)ccc3OC)c(C)c(=O)n2c1=O ZINC000587911989 HF Annotated Mild CCc1c(C#Cc2cc(Cl)ccc2OC)n2c(Br)c(C)c(=O)n2c1=O ZINC000587912133 HF Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(CO)cc(I)c1O ZINC000587917463 HF Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(S(N)(=O)=O)cc(Br)c1N ZINC000587918126 HF Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1S(N)(=O)=O)NC(=O)CCC2 ZINC000587918283 HF Annotated Mild CNS(=O)(=O)c1ccc(-n2cc(C#Cc3cc(Cl)ccc3OC)cn2)cc1 ZINC000587918523 HF Annotated Mild C=C1NNC(=O)C(c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)=C1C ZINC000587923520 HF Annotated Anodyne CN(c1ccc(-c2csc(-c3cccc(S(N)(=O)=O)c3)n2)cc1)S(C)(=O)=O ZINC000587923605 HF Annotated Anodyne C/C=C1/NNC(=O)C(c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)=C1CC ZINC000587923740 HF Annotated Anodyne C/C=C1\NNC(=O)C(c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)=C1CC ZINC000587923741 HF Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(/C(=C\c3ccccc3O)C(N)=O)n2)cc1 ZINC000587923781 HF Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(/C(=C/c3ccccc3O)C(N)=O)n2)cc1 ZINC000587923782 HF Annotated Anodyne CN(c1ccc(-c2csc(-c3ccnc(-n4cncn4)c3)n2)cc1)S(C)(=O)=O ZINC000587924008 HF Annotated Anodyne C/C=C1/NNC(=O)C(c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)=C1CC ZINC000587924336 HF Annotated Anodyne C/C=C1\NNC(=O)C(c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)=C1CC ZINC000587924337 HF Annotated Anodyne Cn1cc(-c2cccc(Br)c2-n2c3c(c4c2OC(=O)C4)CC(=O)O3)cn1 ZINC000587935051 HF Annotated Anodyne COc1cc(C#N)c(OC)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587937026 HF Annotated Mild COC(=O)c1cc(-n2c(O)cc(CC(=O)O)c2O)c(Cl)cc1Br ZINC000587937739 HF Annotated Anodyne C=C(C(=O)O)c1cc(O)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O ZINC000587938046 HF Annotated Anodyne Cc1ncc(-n2c(O)ccc2OCCn2c([N+](=O)[O-])cnc2C)nc1Br ZINC000587939140 HF Annotated Bother COC(=O)Cc1cc(OC)n(-c2cc3cnccc3c(Br)n2)c1OC ZINC000587939254 HF Annotated Anodyne O=C(O)CCc1cc(O)n(-c2cc(Br)cnc2Br)c1O ZINC000587939521 HF Annotated Anodyne Nc1ccc(-c2cc(O)n(-c3nn(-c4ncccn4)cc3Br)c2O)cc1 ZINC000587939546 HF Annotated Anodyne O=C(O)C[C@H](C(=O)O)c1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O ZINC000587940022 HF Annotated Anodyne O=C(O)C[C@@H](C(=O)O)c1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O ZINC000587940023 HF Annotated Anodyne C=C(C(=O)O)c1cc(O)n(-c2cc(Br)cnc2Br)c1O ZINC000587940105 HF Annotated Anodyne CCOc1cc(C=O)c(OCC)n1-c1nn(-c2ncccn2)cc1Br ZINC000587940245 HF Annotated Anodyne N[C@@H](CCOc1ccc(O)n1-c1cnc2cc(Br)ccc2c1)C(=O)O ZINC000587940534 HF Annotated Anodyne O=C(O)Cc1c(CC(=O)O)c(O)n(-c2cc(Cl)cc(Br)c2)c1O ZINC000587940685 HF Annotated Anodyne O=C(O)C[C@@H](C(=O)O)c1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O ZINC000587941001 HF Annotated Anodyne O=C(O)C[C@H](C(=O)O)c1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O ZINC000587941015 HF Annotated Anodyne C=C(C)C(=O)OCCOc1ccc(O)n1-c1cc(C(=O)O)ncc1Br ZINC000587942082 HF Annotated Mild Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c2c(c3c1OC(=O)C3)CC(=O)O2 ZINC000587943511 HF Annotated Bother O=C(O)C[C@H](C(=O)O)c1cc(O)n(-c2cc(F)c(Br)cc2F)c1O ZINC000587943874 HF Annotated Anodyne O=C(O)C[C@@H](C(=O)O)c1cc(O)n(-c2cc(F)c(Br)cc2F)c1O ZINC000587943875 HF Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c3c(c4c2OC(=O)C4)CC(=O)O3)n1 ZINC000587945389 HF Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587945535 HF Annotated Bother O=C1Cc2c3c(n(Cc4nc5ccccc5n4Cc4cccc(F)c4)c2O1)OC(=O)C3 ZINC000587946767 HF Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(S(=O)(=O)N(C)C)cc4[nH]1)(C3)C2 ZINC000587950841 HF Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cccc(S(=O)(=O)N(C)C)c4[nH]1)(C3)C2 ZINC000587951638 HF Annotated Anodyne CC#Cc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587953653 HF Annotated Mild CCN(CC)S(=O)(=O)c1ccc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2c1 ZINC000587958650 HF Annotated Anodyne Cc1ccc(C(=O)/C=C/c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1 ZINC000587965453 HF Annotated Mild Cc1ccc(C(=O)/C=C\c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1 ZINC000587965458 HF Annotated Mild COC(=O)c1cc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587969921 HF Annotated Anodyne COC(=O)c1cc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587969922 HF Annotated Anodyne COC(=O)c1cc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587969924 HF Annotated Anodyne O=C(O)[C@H]1C(c2nc3c(Br)ccc(Br)c3[nH]2)[C@@H]1C(=O)O ZINC000587970597 HF Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587970598 HF Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)[C@H]1C(=O)O ZINC000587970599 HF Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587970941 HF Annotated Anodyne O=C(O)[C@H]1C(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)[C@@H]1C(=O)O ZINC000587970942 HF Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)[C@H]1C(=O)O ZINC000587970943 HF Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587970944 HF Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)[C@H]1C(=O)O ZINC000587970945 HF Annotated Anodyne O=C(O)[C@H]1C(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)[C@@H]1C(=O)O ZINC000587970946 HF Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587971122 HF Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)[C@H]1C(=O)O ZINC000587971123 HF Annotated Anodyne O=C(O)[C@H]1C(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)[C@@H]1C(=O)O ZINC000587971124 HF Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587971188 HF Annotated Anodyne O=C(O)[C@H]1C(c2nc3cc(Br)c(Br)cc3[nH]2)[C@@H]1C(=O)O ZINC000587971189 HF Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)[C@H]1C(=O)O ZINC000587971190 HF Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C5[C@H](C(=O)O)[C@H]5C(=O)O)[nH]c4c3)o2)cc1 ZINC000587971239 HF Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5[C@H](C(=O)O)[C@@H]5C(=O)O)[nH]c4c3)o2)cc1 ZINC000587971240 HF Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5[C@H](C(=O)O)[C@@H]5C(=O)O)[nH]c4c3)o2)cc1 ZINC000587971241 HF Annotated Anodyne COC(=C\C(C)=C\[C@@H]1CCC[C@]2(OC)O[C@@H]3C(=CC(=O)[C@@H]4O[C@@H]43)[C@@H]12)/C=C/C(=O)O ZINC000059046574 HF Annotated Mild C[C@@H](CC(=O)NC(=O)c1cn(-c2ccccc2)c(Cc2ccccc2)cc1=O)C(=O)O ZINC000059086162 HF Annotated Anodyne in-vitro Cc1cccnc1C1(C#N)CCN(Cc2cc(C(=O)O)c(=O)n3ccccc23)CC1 ZINC000059260499 HF Annotated Mild CC(=O)N(C)[C@H]1CCN(C(=O)Nc2ccc(N3CC[C@@H](N4CCC[C@H]4C)C3)cc2)C1 ZINC000059260592 HF Annotated Anodyne CC(=O)N(C)[C@H]1CCN(C(=O)Nc2ccc(N3CC[C@@H](N4CCC[C@@H]4C)C3)cc2)C1 ZINC000059260596 HF Annotated Anodyne Cc1ccc(C2(C#N)CCN(Cc3cc(C(=O)O)c(=O)n4ccccc34)CC2)nc1 ZINC000059260698 HF Annotated Mild CC(=O)N1CCN(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)c(C)c2)CC1 ZINC000059260778 HF Annotated Anodyne CC(=O)N1CCN(C(=O)Nc2ccc(N3CC[C@@H](N4CCC[C@@H]4C)C3)c(C)c2)CC1 ZINC000059260780 HF Annotated Anodyne Cc1cccc(C2(C#N)CCN(Cc3cc(C(=O)O)c(=O)n4ccccc34)CC2)n1 ZINC000059261298 HF Annotated Mild Cc1ccnc(C2(C#N)CCN(Cc3cc(C(=O)O)c(=O)n4ccccc34)CC2)c1 ZINC000059262300 HF Annotated Mild COC1=C(OC)[C@H]2C(=O)C=C(c3ccc(OC)c(OC)c3)O[C@H]2C(OC)=C1OC ZINC000059586766 HF Annotated Mild in-vitro biogenic CCCCCC[C@@H](C)C1=C(O)C(=O)[C@H]2[C@@H](O)[C@@H](C)C[C@@H](O)[C@@H]2[C@@]1(C)C(=O)CCO ZINC000059640849 HF Annotated Mild COc1cc(/C=C/C(=O)c2c(OC)cc3c(c2O)OCO3)c(O)c(OC)c1OC ZINC000059773800 HF Annotated Mild CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@H]3[C@H](C(C)=O)c4ccoc4C[C@@H]3[C@@]12C ZINC000059779080 HF Annotated Anodyne COC/C=C1\CN2[C@H]3C[C@@]45C(=Nc6cc(OC)c(OC)c(OC)c64)OC[C@@H]3[C@H]1C[C@H]25 ZINC000059796401 HF Annotated Anodyne COC(=O)CCC1=C(CC(=O)OC)[C@](C)(OC)N/C1=N/C(=O)OCc1ccccc1 ZINC000006003584 HF Annotated Mild O=C1NC[C@@H](NC(=O)C(F)(F)F)c2c(Br)sc(Br)c21 ZINC000006003915 HF Annotated Anodyne O=C(N/N=C(COc1ccc([N+](=O)[O-])cc1)\N=C\c1ccncc1)c1ccncc1 ZINC000006004624 HF Annotated Reactive C=CCN(c1cc(OC)c2[nH]c(C(=O)OCC)c(C)c2c1[N+](=O)[O-])S(C)(=O)=O ZINC000006004778 HF Annotated Mild COC(=O)[C@]1(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)C[C@@H]2C=C[C@H]1NC2 ZINC000006004876 HF Annotated Anodyne COC(=O)CCc1cc(OC)c2c(c1)[C@H](C(=O)OC)[C@@H](c1ccc(O)c(OC)c1)O2 ZINC000006006607 HF Annotated Anodyne O=S(=O)(/N=C(\NO)Nc1ccc(Cl)cc1)[C@@H]1CC=C(c2ccon2)S1 ZINC000006010141 HF Annotated Mild CC1=NN(c2nc(N)nc(/C(C#N)=C\[C@@H]3COc4ccccc4C3=O)n2)C(C)(C)C1 ZINC000006019882 HF Annotated Reactive C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc(CO)c(C=O)c1O2 ZINC000006031011 HF Annotated Anodyne C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc(CO)c(C=O)c1O2 ZINC000006031123 HF Annotated Anodyne COC1=C(C)C(=O)c2c(cc(O)c3c2O[C@H](C)[C@@]3(C)[C@@H]2CC=C(C)[C@H](O)O2)C1=O ZINC000006031780 HF Annotated Mild in-vitro CCCCN1CN2C(=O)[C@H](C(=O)OCC)C(=O)c3sc4nc(SC)nc1c4c32 ZINC000006041128 HF Annotated Anodyne O=C(O)/C(=C/C(=O)c1ccc(Cl)cc1)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000006041699 HF Annotated Mild COC1=C(C)C(=O)c2c(cc(O)c3c2O[C@@H](C)[C@@]3(C)[C@@H]2CC=C(C)[C@H](O)O2)C1=O ZINC000006066990 HF Annotated Mild in-vitro COC1=C(C)C(=O)c2c(cc(O)c3c2O[C@@H](C)[C@]3(C)[C@@H]2CC=C(C)[C@H](O)O2)C1=O ZINC000006067120 HF Annotated Mild in-vitro Cc1cc(O)c(O)c(O)c1C(=O)O[C@@H]1C[C@@]2(C)C1=C(CO)[C@@H](O)[C@@H]1CC(C)(C)C[C@@H]12 ZINC000006069746 HF Annotated Clean in-man endogenous CCOC(=O)c1c(NC(=O)CSC(=S)N2CCOCC2)sc(C)c1C ZINC000006083595 HF Annotated Anodyne O=C(N/N=C/c1ccc(O)cc1O)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000006131280 HF Annotated Reactive CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NCc2ccccn2)C[C@H]1C ZINC000006140632 HF Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NCc2ccccn2)C[C@@H]1C ZINC000006140633 HF Annotated Anodyne C=C1C(=O)C=C2CN(C(=O)c3ccccc3)[C@@](Cc3ccc(OC)cc3)(C(=O)OC)[C@@H]12 ZINC000006145763 HF Annotated Mild CCOc1ccc([C@@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)cc1 ZINC000006160279 HF Annotated Mild Cc1ccc(C(=O)[C@@H](C)OC(=O)CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)cc1 ZINC000006199298 HF Annotated Anodyne O=C(CN(Cc1cccs1)C(=O)CNC(=O)c1ccco1)NC1CCCCC1 ZINC000006334085 HF Annotated Anodyne O=C(C1=C[C@H](c2ccccc2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCOCC1 ZINC000006344608 HF Annotated Anodyne O=C(C1=C[C@@H](c2ccccc2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCOCC1 ZINC000006344667 HF Annotated Anodyne COc1cc([C@H]2OC[C@]3(OC(C)=O)[C@H]2CO[C@@H]3c2ccc(O)c(OC)c2)ccc1O ZINC000006363525 HF Annotated Anodyne in-man COc1cc([C@H]2OC[C@@]3(OC(C)=O)[C@H]2CO[C@@H]3c2ccc(O)c(OC)c2)ccc1O ZINC000006363550 HF Annotated Anodyne in-man COc1cc([C@@H]2OC[C@@]3(OC(C)=O)[C@H]2CO[C@@H]3c2ccc(O)c(OC)c2)ccc1O ZINC000006363551 HF Annotated Anodyne in-man CC(C)(C)NS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2 ZINC000006363827 HF Annotated Anodyne CCCCn1c(C)c2c(c1C)C(=O)N(C[C@@H](O)CN1CCc3ccccc3C1)C2=O ZINC000006380063 HF Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3[C@H](O)C3=COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000006380853 HF Annotated Anodyne CCOC(=O)C1CCN(C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@H]23)CC1 ZINC000006463404 HF Annotated Anodyne CSCC[C@@H]1[C@H](O)[C@@H](O)[C@@H](CCSC)N(CC2CC2)C(=O)N1CC1CC1 ZINC000006485357 HF Annotated Anodyne C[C@H](O)CNC(=O)c1ccc(SSc2ccc(C(=O)NC[C@@H](C)O)cc2)cc1 ZINC000006487206 HF Annotated Reactive C[C@H](O)CNC(=O)c1ccc(SSc2ccc(C(=O)NC[C@H](C)O)cc2)cc1 ZINC000006487207 HF Annotated Reactive C[C@@H]1[C@@H](O)C[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc(C=O)c(C=O)c1O2 ZINC000006488822 HF Annotated Anodyne C[C@@H](O)CNC(=O)c1ccc(SSc2ccc(C(=O)NC[C@@H](C)O)cc2)cc1 ZINC000006491819 HF Annotated Reactive COc1cc(CCCN2CCNC[C@H]2Cc2ccc(O)cc2)cc(OC)c1OC ZINC000061711161 HF Annotated Anodyne COc1cc(CCCN2CCNC[C@@H]2Cc2ccc(O)cc2)cc(OC)c1OC ZINC000061711185 HF Annotated Anodyne CC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 ZINC000061855114 HF Annotated Anodyne CC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 ZINC000061855115 HF Annotated Anodyne O=C(NCc1cc(Cl)cc(Cl)c1)c1csc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1 ZINC000061895575 HF Annotated Anodyne O=C(Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1)c1ccc(Oc2ccccc2)cc1 ZINC000061895708 HF Annotated Anodyne CCN(CC)c1c(C)nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cn12 ZINC000061895781 HF Annotated Anodyne COc1ccc(NC(=O)[C@@]2(C)Cc3c(-c4ccc(C(N)=O)cc4)ccnc3O2)cn1 ZINC000061895956 HF Annotated Anodyne COc1ccc(NC(=O)[C@]2(C)Cc3c(-c4ccc(C(N)=O)cc4)ccnc3O2)cn1 ZINC000061895957 HF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2cc3ccccc3s2)C1 ZINC000061896112 HF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2cc3ccccc3s2)C1 ZINC000061896113 HF Annotated Anodyne COc1ccc(NC(=O)[C@@]2(C)Cc3c(-c4cccc(C(N)=O)c4)ccnc3O2)cn1 ZINC000061896888 HF Annotated Anodyne COc1ccc(NC(=O)[C@]2(C)Cc3c(-c4cccc(C(N)=O)c4)ccnc3O2)cn1 ZINC000061896890 HF Annotated Anodyne Cc1ccccc1S(=O)(=O)NC(=O)[C@]1(C)CCN1C(=O)C1(c2ccccc2)CC1 ZINC000061897246 HF Annotated Anodyne Cc1ccccc1S(=O)(=O)NC(=O)[C@@]1(C)CCN1C(=O)C1(c2ccccc2)CC1 ZINC000061897248 HF Annotated Anodyne CCc1nc2ccc(C(=O)N(CC)CCN(C)C)cn2c1N(C=O)CCC(C)C ZINC000061897398 HF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2cccc3ccccc23)C1 ZINC000061898386 HF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2cccc3ccccc23)C1 ZINC000061898390 HF Annotated Anodyne OC[C@H]1O[C@H](c2nc(-c3nc(-c4cccc(-n5cccc5)c4)no3)cs2)C[C@@H]1O ZINC000061902172 HF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccccc2Cl)CCN1C(=O)c1cccc(F)c1 ZINC000061902984 HF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2Cl)CCN1C(=O)c1cccc(F)c1 ZINC000061902985 HF Annotated Anodyne O=C(Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1)c1ccc(Oc2ccccc2)cc1 ZINC000061903091 HF Annotated Anodyne NC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)NCc2ccc(F)c(F)c2)O3)c1 ZINC000061903243 HF Annotated Anodyne NC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)NCc2ccc(F)c(F)c2)O3)c1 ZINC000061903244 HF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(Cl)c2)CCN1C(=O)c1cccc(F)c1 ZINC000061903428 HF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccc(Cl)c2)CCN1C(=O)c1cccc(F)c1 ZINC000061903429 HF Annotated Anodyne Cc1ccccc1S(=O)(=O)NC(=O)[C@]1(C)CCN1C(=O)C(C)(C)c1ccccc1 ZINC000061903871 HF Annotated Anodyne Cc1ccccc1S(=O)(=O)NC(=O)[C@@]1(C)CCN1C(=O)C(C)(C)c1ccccc1 ZINC000061903872 HF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2oc3ccccc3c2C)C1 ZINC000061904452 HF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2oc3ccccc3c2C)C1 ZINC000061904453 HF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000061904494 HF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000061904495 HF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000061904636 HF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000061904637 HF Annotated Anodyne CC(C)NC(=O)c1cc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C#N)cc2)on1 ZINC000061905224 HF Annotated Mild CC(C)NC(=O)c1cc([C@H]2CCCCN2S(=O)(=O)c2ccc(C#N)cc2)on1 ZINC000061905225 HF Annotated Mild Cc1noc(C)c1Cn1c(C)c(C(=O)NCc2ccc3c(c2)OCCO3)sc1=O ZINC000061905791 HF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)Cc2cccc(Cl)c2)CCN1C(=O)C1CCCCC1 ZINC000061905805 HF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)Cc2cccc(Cl)c2)CCN1C(=O)C1CCCCC1 ZINC000061905806 HF Annotated Anodyne COCCNc1nc(NCCN2CCNC2=O)c2sc(-c3ccccc3)cc2n1 ZINC000061906140 HF Annotated Anodyne COc1ccc(C[C@H](N)c2csc(Nc3cc(NCCCO)ncn3)n2)cc1 ZINC000061906262 HF Annotated Anodyne COc1ccc(C[C@@H](N)c2csc(Nc3cc(NCCCO)ncn3)n2)cc1 ZINC000061906263 HF Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C[C@H](OC(C)=O)[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O)[C@H](O)C[C@H]12 ZINC000061906401 HF Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C[C@H](OC(C)=O)[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1C[C@@H](O)[C@@H]2O ZINC000061906402 HF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2cc3ccccc3s2)C1 ZINC000061906876 HF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2cc3ccccc3s2)C1 ZINC000061906877 HF Annotated Anodyne Cc1oc(-c2cccs2)cc1C(=O)N1CC[C@@](C)(C(=O)NS(=O)(=O)C2CC2)C1 ZINC000061906890 HF Annotated Anodyne Cc1oc(-c2cccs2)cc1C(=O)N1CC[C@](C)(C(=O)NS(=O)(=O)C2CC2)C1 ZINC000061906891 HF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000061907602 HF Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000061907603 HF Annotated Anodyne N[C@@H](Cc1ccc(F)cc1)c1csc(Nc2ccc(C(=O)NCCCO)cn2)n1 ZINC000061907675 HF Annotated Anodyne N[C@H](Cc1ccc(F)cc1)c1csc(Nc2ccc(C(=O)NCCCO)cn2)n1 ZINC000061907676 HF Annotated Anodyne Cc1c(C(=O)N2CCC[C@@](C)(C(=O)NS(=O)(=O)C3CC3)C2)oc2ccccc12 ZINC000061908140 HF Annotated Anodyne Cc1c(C(=O)N2CCC[C@](C)(C(=O)NS(=O)(=O)C3CC3)C2)oc2ccccc12 ZINC000061908141 HF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000061908405 HF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000061908406 HF Annotated Anodyne CCc1nc2c(OCC(=O)N(C)C)cccn2c1N(C=O)Cc1ccc(OC)cc1 ZINC000061908650 HF Annotated Anodyne C[C@]1(C(=O)NCCc2ccccc2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 ZINC000061908794 HF Annotated Anodyne C[C@@]1(C(=O)NCCc2ccccc2)Cc2c(-c3ccc(C(N)=O)cc3)ccnc2O1 ZINC000061908795 HF Annotated Anodyne CCCNC(=O)c1cc([C@@H]2CCCN(C(=O)c3cc(C(C)(C)C)nn3C)C2)on1 ZINC000061908989 HF Annotated Anodyne CCCNC(=O)c1cc([C@H]2CCCN(C(=O)c3cc(C(C)(C)C)nn3C)C2)on1 ZINC000061908990 HF Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NC2CCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000061920931 HF Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NC2CCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000061920932 HF Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N[C@]21CCCN(CCC(C)C)C1=O ZINC000061921227 HF Annotated Anodyne Cc1ccc([C@H]2N[C@]3(CCCN(CC4CCCCC4)C3=O)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000061921236 HF Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)N[C@]21CCCN(Cc2ccccc2)C1=O ZINC000061921257 HF Annotated Anodyne O=C1N[C@@H](Cc2ccc(O)cc2)c2nc3cc(F)c(F)cc3c(=O)n2-c2ncccc21 ZINC000061921423 HF Annotated Anodyne O=C1N[C@H](Cc2ccc(O)cc2)c2nc3cc(F)c(F)cc3c(=O)n2-c2ncccc21 ZINC000061921424 HF Annotated Anodyne O=C1N[C@@H](Cc2ccc(O)cc2)c2nc3ccc(F)cc3c(=O)n2-c2ncccc21 ZINC000061921429 HF Annotated Anodyne O=C1N[C@H](Cc2ccc(O)cc2)c2nc3ccc(F)cc3c(=O)n2-c2ncccc21 ZINC000061921430 HF Annotated Anodyne O=C1N[C@@H](Cc2ccc(O)cc2)c2nc3cc(F)ccc3c(=O)n2-c2ncccc21 ZINC000061921431 HF Annotated Anodyne O=C1N[C@H](Cc2ccc(O)cc2)c2nc3cc(F)ccc3c(=O)n2-c2ncccc21 ZINC000061921432 HF Annotated Anodyne COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000061921788 HF Annotated Anodyne CC(C)(C)OC(=O)NCCCCCNC(=O)c1ncn2c1c(=O)[nH]c1ccccc12 ZINC000061921833 HF Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@H](CC(=O)NC2CCCCC2)C1 ZINC000061922984 HF Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@@H](CC(=O)NC2CCCCC2)C1 ZINC000061922988 HF Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCc2ccco2)C(=O)N1Cc1ccccc1 ZINC000061923469 HF Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCc2ccco2)C(=O)N1Cc1ccccc1 ZINC000061923470 HF Annotated Anodyne CN(C(=O)NC1CCCCC1)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C(=O)[C@H]1CO ZINC000061924228 HF Annotated Anodyne COC[C@H](NS(=O)(=O)c1ccc(Br)cc1F)[C@@H](O)c1ccccc1 ZINC000061924259 HF Annotated Anodyne CCCNC(=O)c1cc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C#N)cc2)on1 ZINC000061925671 HF Annotated Mild CCCNC(=O)c1cc([C@H]2CCCCN2S(=O)(=O)c2ccc(C#N)cc2)on1 ZINC000061925672 HF Annotated Mild CC(C)(C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1cccc(F)c1)c1ccccc1 ZINC000061925799 HF Annotated Anodyne CC(C)(C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1cccc(F)c1)c1ccccc1 ZINC000061925800 HF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000061925981 HF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000061925982 HF Annotated Anodyne N[C@@H](COCc1ccccc1)c1csc(Nc2cc(NCCCO)ncn2)n1 ZINC000061926102 HF Annotated Anodyne N[C@H](COCc1ccccc1)c1csc(Nc2cc(NCCCO)ncn2)n1 ZINC000061926103 HF Annotated Anodyne O=C(Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1)Nc1cccc(Cl)c1Cl ZINC000061926230 HF Annotated Anodyne C[C@]1(C(=O)Nc2ccc3c(c2)OCO3)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 ZINC000061926301 HF Annotated Anodyne C[C@@]1(C(=O)Nc2ccc3c(c2)OCO3)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 ZINC000061926302 HF Annotated Anodyne O=C(Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1)Nc1cccc(Cl)c1Cl ZINC000061926482 HF Annotated Anodyne COc1ccc(Br)c(Cn2c(C)c(C(=O)NCCC#N)sc2=O)c1 ZINC000061926757 HF Annotated Mild Cc1c(C(=O)NCc2ccc3c(c2)OCCO3)sc(=O)n1Cc1ccccc1C#N ZINC000061926986 HF Annotated Mild C[C@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)CC1CCCCC1 ZINC000061927248 HF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)CC1CCCCC1 ZINC000061927249 HF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)C/C=C/c1ccccc1 ZINC000061928296 HF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)C/C=C/c1ccccc1 ZINC000061928298 HF Annotated Anodyne CN(C)c1ccc(CNC(=O)[C@@H]2Cc3c(-c4cccc(C(N)=O)c4)ccnc3O2)cc1 ZINC000061930027 HF Annotated Clean CN(C)c1ccc(CNC(=O)[C@H]2Cc3c(-c4cccc(C(N)=O)c4)ccnc3O2)cc1 ZINC000061930029 HF Annotated Clean CCc1nc2ccc(C(=O)N(C)CCCN(C)C)cn2c1N(C=O)CCC(C)C ZINC000061930165 HF Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(Cl)s2)CCN1C(=O)C1CCCCC1 ZINC000061930733 HF Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc(Cl)s2)CCN1C(=O)C1CCCCC1 ZINC000061930734 HF Annotated Anodyne CCOC(=O)c1cc(-c2sc(NC(=O)c3ccccc3)nc2C)n(CCO)n1 ZINC000061931514 HF Annotated Anodyne COCC(=O)N(C)[C@H]1C[C@H]2c3cc(-c4ccccc4)ccc3CCN2C(=O)[C@H]1[C@H](C)O ZINC000061942420 HF Annotated Anodyne C#CCN1CCS(=O)(=O)N(Cc2ccc(Br)cc2)[C@H](CC(C)C)C1 ZINC000061944738 HF Annotated Mild C#CCN1CCS(=O)(=O)N(Cc2ccc(Br)cc2)[C@@H](CC(C)C)C1 ZINC000061944740 HF Annotated Mild CC(=O)O[C@H]1C[C@H]2C[C@H](OC(C)=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@@H](O)[C@H](O)C[C@@H]3[C@H]12 ZINC000061946936 HF Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C[C@H](OC(C)=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](C[C@@H](O)[C@@H]3O)[C@@H]12 ZINC000061946937 HF Annotated Anodyne NCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C=C1c1ccc(Cl)cc1 ZINC000061948720 HF Annotated Bother O=C(NCC1CC1)c1cccc2c1C(=O)c1ccc(N3CCCC3)cc1S2(=O)=O ZINC000061948780 HF Annotated Anodyne O=C1c2ccccc2C(=O)N1CCC#Cc1ccc2cc(CCCO)oc(=O)c2c1 ZINC000061949487 HF Annotated Mild CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(CC)[C@@H]1c1cccc(OC)c1 ZINC000061958784 HF Annotated Anodyne CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(CC)[C@H]1c1cccc(OC)c1 ZINC000061958786 HF Annotated Anodyne CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N[C@@H]1c1ccc(F)c(Cl)c1 ZINC000061958854 HF Annotated Anodyne CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N[C@H]1c1ccc(F)c(Cl)c1 ZINC000061958857 HF Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N[C@@H]1CCc1ccccc1 ZINC000061958884 HF Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N[C@H]1CCc1ccccc1 ZINC000061958886 HF Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N[C@@H]1c1cccc(OC)c1 ZINC000061958889 HF Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N[C@H]1c1cccc(OC)c1 ZINC000061958891 HF Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(-c3cccnc3)c2)S(=O)(=O)N(CC)[C@@H]1C ZINC000061958932 HF Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(-c3cccnc3)c2)S(=O)(=O)N(CC)[C@H]1C ZINC000061958934 HF Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(-c3cccnc3)c2)S(=O)(=O)N(C)[C@@H]1C ZINC000061958941 HF Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(Br)c2)S(=O)(=O)N(CC)[C@@H]1C ZINC000061958944 HF Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(Br)c2)S(=O)(=O)N(CC)[C@H]1C ZINC000061958946 HF Annotated Anodyne COCCNC(=O)c1cc(-c2ccccc2C)nn1C[C@@H]1CC(c2cccnc2)=NO1 ZINC000061959376 HF Annotated Anodyne COCCNC(=O)c1cc(-c2ccccc2C)nn1C[C@H]1CC(c2cccnc2)=NO1 ZINC000061959379 HF Annotated Anodyne CC[C@@H](C)Sc1ccc([C@@H]2[C@H]3C(=O)N(C)C(=O)[C@H]3[C@]3(C(=O)OC)CCCN23)cc1 ZINC000061959649 HF Annotated Anodyne CC[C@H](C)Sc1ccc([C@@H]2[C@H]3C(=O)N(C)C(=O)[C@H]3[C@]3(C(=O)OC)CCCN23)cc1 ZINC000061959651 HF Annotated Anodyne CCCNC(=O)c1onc(CS(=O)(=O)c2cc(C)cc(C)c2)c1C(=O)NCCC ZINC000061959696 HF Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)N[C@@]2(C)C(=O)OC ZINC000061959703 HF Annotated Anodyne COC(=O)[C@]1(C)N[C@H](c2ccc(-c3cccc(Cl)c3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061959747 HF Annotated Anodyne O=C1[C@@H](Cc2ccccc2)Nc2ncnc(N3CCOCC3)c2N1Cc1ccccc1 ZINC000061959776 HF Annotated Anodyne O=C1[C@H](Cc2ccccc2)Nc2ncnc(N3CCOCC3)c2N1Cc1ccccc1 ZINC000061959778 HF Annotated Anodyne CC/N=c1\c(NS(=O)(=O)c2ccc(OC)c(OC)c2)c(O)oc2ccccc12 ZINC000617997523 HF Annotated Anodyne O=C(NCCc1ccccc1)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000618005094 HF Annotated Anodyne O=C(NCCc1ccccc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000618005099 HF Annotated Anodyne O=C(NCCc1ccccc1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000618005100 HF Annotated Anodyne O=C(NCCc1ccccc1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000618005101 HF Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2ccc3c(c2)NC(=O)[C@H](N2CCOCC2)S3)CCC[C@H]1C ZINC000618007499 HF Annotated Anodyne C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)[C@@H](N2CCOCC2)S3)[C@@H]1C ZINC000618007500 HF Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2ccc3c(c2)NC(=O)[C@@H](N2CCOCC2)S3)CCC[C@H]1C ZINC000618007501 HF Annotated Anodyne NCCSSCCNC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000618007576 HF Annotated Reactive NCCSSCCNC(=O)C1CCN(C(=O)c2ccc3ncsc3c2)CC1 ZINC000618007585 HF Annotated Reactive NCCSSCCNC(=O)c1c(F)cccc1I ZINC000618007632 HF Annotated Reactive CNc1ccccc1C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1 ZINC000618008025 HF Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000618008257 HF Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1ccccc1C(F)(F)F ZINC000618008343 HF Annotated Reactive COc1cc(CCC(=O)NCCSSCCN(C)C)cc(OC)c1OC ZINC000618008513 HF Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(F)c2)C1 ZINC000618008662 HF Annotated Reactive CC(C)[C@@H](C(=O)NCCCSSCCN(C)C)N1C(=O)c2ccccc2C1=O ZINC000618008830 HF Annotated Reactive Cc1ccc(CC(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)cc1 ZINC000618009017 HF Annotated Reactive CN(C)CCSSCCNC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 ZINC000618009394 HF Annotated Reactive CN(C)CCSSCCNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000618009568 HF Annotated Reactive O=C1CN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CCN1 ZINC000618009657 HF Annotated Anodyne COc1cc(CC(=O)N(C)CCSSCCN(C)C)cc(OC)c1OC ZINC000618010062 HF Annotated Reactive Cc1ccc(S(=O)(=O)c2cn(CCCSSCCN(C)C)nn2)cc1 ZINC000618010350 HF Annotated Reactive COc1ccc(-c2nc(NC(=O)[C@@H]3NNC(=O)[C@@H]4CCCC[C@H]43)sc2C)cc1 ZINC000618012543 HF Annotated Anodyne COc1ccc(-c2nc(NC(=O)[C@@H]3NNC(=O)[C@H]4CCCC[C@H]43)sc2C)cc1 ZINC000618012546 HF Annotated Anodyne COc1ccc(-c2nc(NC(=O)[C@@H]3NNC(=O)[C@H]4CCCC[C@@H]43)sc2C)cc1 ZINC000618012547 HF Annotated Anodyne COc1ccc(-c2nc(NC(=O)[C@@H]3NNC(=O)[C@@H]4CCCC[C@@H]43)sc2C)cc1 ZINC000618012548 HF Annotated Anodyne O=C1N[C@@H]2CCCC[C@H]2N[C@@H]1c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000618014638 HF Annotated Anodyne O=C1N[C@@H]2CCCC[C@@H]2N[C@@H]1c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000618014639 HF Annotated Anodyne O=C1N[C@@H]2CCCC[C@@H]2N[C@H]1c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000618014640 HF Annotated Anodyne O=C1N[C@@H]2CCCC[C@H]2N[C@H]1c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000618014641 HF Annotated Anodyne CCCCN(C(=O)/C=C/c1ccc(C)cc1C)[C@@H]1C(=O)NC(=O)N(CCC)[C@@H]1N ZINC000618015847 HF Annotated Anodyne CCCCN(C(=O)/C=C/c1ccc(C)cc1C)[C@H]1C(=O)NC(=O)N(CCC)[C@@H]1N ZINC000618015849 HF Annotated Anodyne Cc1cc(NC(=O)Cc2cccc3ccccc23)n([C@@H]2NC(=O)[C@@H]3CCC[C@@H]3N2)n1 ZINC000618016579 HF Annotated Anodyne Cc1cc(NC(=O)Cc2cccc3ccccc23)n([C@@H]2NC(=O)[C@@H]3CCC[C@H]3N2)n1 ZINC000618016585 HF Annotated Anodyne CC1(C)O[C@@](C)([C@H]2CC3(CCN(S(=O)(=O)c4ccccc4)CC3)CO2)CC[C@@H]1O ZINC000618016789 HF Annotated Anodyne O=C1N=c2ccc(NC(=O)CN3C[C@H]4CC[C@H](Cc5ccc(Cl)cc5)[C@H]4C3)cc2=N1 ZINC000618016943 HF Annotated Anodyne C=CS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000618017015 HF Annotated Anodyne CCN1CCOc2ccccc2CCCC[C@@]2(CN(Cc3cc[nH]n3)CCO2)C1=O ZINC000618017232 HF Annotated Anodyne CCN1CCOc2ccccc2CCCC[C@]2(CN(Cc3cc[nH]n3)CCO2)C1=O ZINC000618017233 HF Annotated Anodyne C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC(F)(F)CC1 ZINC000618017751 HF Annotated Reactive O=C1CCC[C@]2(CN(C(=O)CN3CCc4ccccc4C3)C[C@H]2c2ccc(F)cc2)N1 ZINC000618017761 HF Annotated Anodyne COCC(=O)N1CCCCCCCCN(C(=O)Cn2cncn2)Cc2ccccc21 ZINC000618018362 HF Annotated Anodyne C[C@@]12c3ccc4c(c3C(=O)c3occ(c31)C(=O)C[C@H]2OC(=O)CCC(=O)O)CCC4=O ZINC000062178993 HF Annotated Anodyne O=C(O)CN1C(=O)/C(=C/c2sc(Br)c3c2OCCO3)SC1=S ZINC000062233378 HF Annotated Clean COc1ccc(-n2cc(C(=O)N[C@@H](COC(C)=O)Cc3ccccc3)cn2)cc1OC ZINC000621430257 HF Annotated Anodyne O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NC(=O)N1CCCC1=O ZINC000621476059 HF Annotated Anodyne C[C@@]1(C(=O)Nc2nn[nH]n2)CN(C(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000621478478 HF Annotated Anodyne C[C@]1(C(=O)Nc2nn[nH]n2)CN(C(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000621478479 HF Annotated Anodyne C=CS(=O)(=O)N[C@H]1CCCN(C(=O)COc2ccc(Cl)c3ccccc23)C1 ZINC000621485888 HF Annotated Anodyne C#CCOc1ccc(-c2ccc(C(=O)N3CCC[C@H](NS(=O)(=O)C=C)C3)o2)cc1 ZINC000621485986 HF Annotated Mild N/C(=N\O)c1ccccc1S(=O)(=O)Nc1ccc2c(c1)/C(=N\O)c1ccccc1-2 ZINC000063539222 HF Annotated Mild N/C(=N\O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)/C(=N\O)c2ccccc2-3)c1 ZINC000063539224 HF Annotated Mild CCOC(=O)[C@@H](C[C@@H]1C(=O)C2CCN1CC2)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000064246537 HF Annotated Bother CCOC(=O)[C@H](C[C@@H]1C(=O)C2CCN1CC2)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000064246538 HF Annotated Bother CCOC(=O)[C@@H](C[C@H]1C(=O)C2CCN1CC2)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000064246540 HF Annotated Bother CCOC(=O)[C@H](C[C@H]1C(=O)C2CCN1CC2)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000064246542 HF Annotated Bother CCCN1C(=O)/C(=N\NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)c2ccccc21 ZINC000064264617 HF Annotated Reactive COc1ccccc1COC(=O)c1cnn2c1n[n+]([O-])c1cc(C(F)(F)F)ccc12 ZINC000064436648 HF Annotated Anodyne COC(=O)CCCCCNC[C@H]1CCN(C(=O)Nc2ccc(COC(C)=O)cc2)C1 ZINC000064446653 HF Annotated Anodyne COC(=O)CCCCCNC[C@@H]1CCN(C(=O)Nc2ccc(COC(C)=O)cc2)C1 ZINC000064446655 HF Annotated Anodyne CC(=O)N(c1nc(CCl)cs1)N(C(C)=O)S(=O)(=O)c1ccc(C)cc1 ZINC000064447115 HF Annotated Reactive C[C@H](CNS(C)(=O)=O)c1ccc(-c2ccc([C@@H](C)CNS(C)(=O)=O)cc2)cc1 ZINC000064448909 HF Annotated Anodyne Cc1c(N2C(=O)C(Cl)=C(NCc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000064454472 HF Annotated Anodyne COc1ccc(CO[C@H]2C[C@H]3[C@@H]([C@H]2C)[C@@H](O)[C@@]2([C@@H](C)CO)C=C[C@]3(C)OO2)cc1 ZINC000064454504 HF Annotated Reactive O=S(=O)(c1cn([C@@H]2CCNC2)c2ncccc12)c1c(Cl)nc2sccn12 ZINC000064475322 HF Annotated Anodyne O=S(=O)(c1cn([C@H]2CCNC2)c2ncccc12)c1c(Cl)nc2sccn12 ZINC000064475323 HF Annotated Anodyne O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)N/N=C/c1cccc(Br)c1 ZINC000064485739 HF Annotated Reactive O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)N/N=C/c1ccccc1Br ZINC000064503420 HF Annotated Reactive COc1ccc(/C=N/c2c(C#N)nc(O)nc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000064504122 HF Annotated Mild CN1CCc2nc(NCCc3ccccc3)nc(NS(=O)(=O)c3ccccc3)c2C1 ZINC000064512966 HF Annotated Anodyne C=CS(=O)(=O)N1CCc2c(sc3ncnc(N[C@H](CO)c4ccccc4)c23)C1 ZINC000064527160 HF Annotated Anodyne COCCCn1c(/N=C(\O)c2cccc(C#N)c2)nc2cc(C(=O)N(C)C)cnc21 ZINC000064527692 HF Annotated Mild C=C(C)[C@H](O)CC1=c2occ(-c3ccc(O)cc3)c(=O)c2=C(O)[C@H]2C=CC(C)(C)O[C@H]12 ZINC000064527941 HF Annotated Mild C=C(C)[C@@H](O)CC1=c2occ(-c3ccc(O)cc3)c(=O)c2=C(O)[C@H]2C=CC(C)(C)O[C@H]12 ZINC000064527942 HF Annotated Mild C=C(C)[C@H](O)CC1=c2occ(-c3ccc(O)cc3)c(=O)c2=C(O)[C@@H]2C=CC(C)(C)O[C@H]12 ZINC000064527943 HF Annotated Mild C=C(C)[C@@H](O)CC1=c2occ(-c3ccc(O)cc3)c(=O)c2=C(O)[C@@H]2C=CC(C)(C)O[C@H]12 ZINC000064527944 HF Annotated Mild O=c1c(O)c(-c2ncc(Cc3ccc(F)cc3)o2)nc2ccc(N3CCOCC3)cn12 ZINC000064528141 HF Annotated Anodyne Cn1ncc2c(-c3ccc(S(C)(=O)=O)cc3)nc(-c3cccc4[nH]ncc34)nc21 ZINC000064548613 HF Annotated Anodyne CCN(CC)CCSc1nncc(-c2cnnc(SCCN(CC)CC)n2)n1 ZINC000064548789 HF Annotated Anodyne COc1cccc2c1O[C@@H]1C=C(OC[C@]3(C)CO3)C=C(OC[C@]3(C)CO3)[C@H]1C2=O ZINC000064553108 HF Annotated Anodyne Cc1ccc([C@H]2SCC(=O)N2NC(=O)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1 ZINC000064553124 HF Annotated Bother Cc1ccc([C@@H]2SCC(=O)N2NC(=O)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1 ZINC000064553126 HF Annotated Bother Cn1cnc2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O ZINC000064559329 HF Annotated Anodyne CCCCCCCCOC(=O)[C@@H](CCCCN1C(=O)CCC1=O)N1CCOCC1 ZINC000064559917 HF Annotated Mild CCCCCCCCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCOCC1 ZINC000064559919 HF Annotated Mild Cc1ccc(C(=O)Nc2ccon2)cc1NC(=O)c1cnn(-c2ccccn2)c1N ZINC000064560554 HF Annotated Anodyne Cc1ccc(NS(=O)(=O)Cc2nnc(CS(=O)(=O)c3ccc(C)cc3)o2)cc1 ZINC000064564610 HF Annotated Anodyne COc1ccc(Br)cc1S(=O)(=O)n1cc(C(N)=O)c2ccccc21 ZINC000064672501 HF Annotated Anodyne CCc1cc2c(COC(=O)c3cccc(S(C)(=O)=O)c3)cc(=O)oc2cc1O ZINC000006510827 HF Annotated Anodyne Cc1c(Sc2ccccc2)n(COCCOC(=O)c2ccccc2)c(=O)[nH]c1=O ZINC000006520200 HF Annotated Anodyne Cc1nc2c(O)cc3c4c(=O)n(C)c(=O)n(C)c4n(Cc4ccccc4)c3c2nc1C ZINC000006520604 HF Annotated Bother Cc1c(N2CC[C@H](CNCCF)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520836 HF Annotated Anodyne Cc1c(N2CC[C@@H](CNCCF)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520906 HF Annotated Anodyne Cc1c(N2C[C@@H](N)[C@H](C(F)(F)F)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520995 HF Annotated Anodyne Cc1ccc(N2C(=O)CC(=O)N(NC(=O)[C@@H](C)Oc3ccccc3C)C2=S)cc1 ZINC000006522535 HF Annotated Anodyne O=S(=O)(/N=C(\NO)Nc1ccc(Cl)cc1)[C@H]1CC=C(c2ccon2)S1 ZINC000006535854 HF Annotated Mild O=C(O)CCCCCNC(=O)CCC[P@@](=O)(O)Oc1ccc([N+](=O)[O-])cc1 ZINC000006536225 HF Annotated Bother in-vivo CC(C)COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC(C)C)[C@H]1c1cccnc1 ZINC000006576668 HF Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O ZINC000006576739 HF Annotated Anodyne N#Cc1c(N)n[nH]c1CCC/N=C(\O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000006657913 HF Annotated Mild O=[N+]([O-])c1cc(O)c2c(c1)S(=O)(=O)N=C(Nc1ccccc1Br)N2 ZINC000006718564 HF Annotated Bother CC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000006730488 HF Annotated Anodyne O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sc3ccccc3c21)N1CCCC1 ZINC000006739249 HF Annotated Anodyne COC(=O)c1ccc2c(c1)N(CC(=O)N1CCOc3ccc(C)cc31)C(=O)CS2 ZINC000006750675 HF Annotated Anodyne C[C@@H]1CCCN(C(=O)C2CCC(CNc3c(N4CCCCC4)c(=O)c3=O)CC2)C1 ZINC000006752483 HF Annotated Anodyne C=CC/N=C(\O)CN1C(=O)CSc2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000006780832 HF Annotated Mild CN(CCNC(=O)CN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21)C1CCCCC1 ZINC000006796421 HF Annotated Anodyne CN(CCNC(=O)CN1C(=O)[C@H](c2ccccc2)Oc2cccnc21)C1CCCCC1 ZINC000006796429 HF Annotated Anodyne CC(=O)N1CCc2c(sc3c2c(=O)n(-c2cc(Cl)ccc2C)c(=O)n3C)C1 ZINC000006805071 HF Annotated Anodyne COc1ccc(OC)c(C[C@@]2(NC(=O)c3ccccc3)N=C3C=CC=CN3C2=O)c1 ZINC000006806633 HF Annotated Anodyne COc1ccc(OC)c(C[C@]2(NC(=O)c3ccccc3)N=C3C=CC=CN3C2=O)c1 ZINC000006806634 HF Annotated Anodyne Cc1nc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)nn2c(C)c1CCC(=O)O ZINC000006808285 HF Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1cccs1 ZINC000006875580 HF Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1c1cccs1 ZINC000006875583 HF Annotated Anodyne Cc1ccccc1CNC(=O)c1ccc(CN2CC(=O)N3CCCC[C@@H]3C2=O)cc1 ZINC000006877548 HF Annotated Anodyne Cc1ccccc1CNC(=O)c1ccc(CN2CC(=O)N3CCCC[C@H]3C2=O)cc1 ZINC000006877549 HF Annotated Anodyne CN(C)CCNC(=O)CCCN1C(=O)c2cccnc2Oc2ccc(Cl)cc21 ZINC000006878158 HF Annotated Anodyne CCN(CC)c1ccc(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)o2)c(C)c1 ZINC000006887558 HF Annotated Anodyne CCN(C(=O)CCS(=O)(=O)c1cc2c(cc1C)NC(=O)CO2)c1cccc(C)c1 ZINC000006893234 HF Annotated Anodyne CN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000006893416 HF Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2ccc(C[S@@](=O)c3cccc(C)c3)o2)CC1 ZINC000006895176 HF Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2ccc(C[S@](=O)c3cccc(C)c3)o2)CC1 ZINC000006895177 HF Annotated Anodyne CCCn1c2ccccc2c2cnn(CC(=O)NCCc3c(C)noc3C)c(=O)c21 ZINC000006900157 HF Annotated Anodyne Cc1c(Cl)cccc1-n1nc(C)c2c(C)cc(=O)n(CC(=O)N3CCOCC3)c21 ZINC000006916260 HF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)Nc1ccc(F)cc1F ZINC000006916376 HF Annotated Anodyne Cc1cc(=O)n(Cc2cc(=O)n3ccccc3n2)c2c1c(C)nn2-c1cccc(F)c1 ZINC000006917770 HF Annotated Anodyne C=CC/N=C(\O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(F)cc3)cc2c1=O ZINC000006920249 HF Annotated Mild CN(CCCNC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O)Cc1ccccc1 ZINC000006937233 HF Annotated Anodyne Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(-c3cc(C)no3)cc2)cc1 ZINC000006942099 HF Annotated Anodyne C[C@@H]1CCCN(C(=O)C/N=C(\O)Cn2cnc3sc4c(c3c2=O)CCCC4)C1 ZINC000006948025 HF Annotated Mild C[C@H]1CCCN(C(=O)C/N=C(\O)Cn2cnc3sc4c(c3c2=O)CCCC4)C1 ZINC000006948029 HF Annotated Mild CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000006998728 HF Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000006998735 HF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(-c3ccccn3)n2)cc1OC(F)F ZINC000653662920 HF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc([C@@H]3CC3(F)F)n2)cc1OC(F)F ZINC000653664376 HF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc([C@H]3CC3(F)F)n2)cc1OC(F)F ZINC000653664377 HF Annotated Anodyne Nc1ncc(-c2cc([C@H]3[C@@H]4COC[C@@H]43)nc(N3CC4CC3C4)n2)cc1OC(F)F ZINC000653667550 HF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(-c3nccs3)n2)cc1OC(F)F ZINC000653667563 HF Annotated Anodyne C[C@H]1CCCN1c1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2C[C@@H]3C[C@H]2CO3)n1 ZINC000653667581 HF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4)nc(N3CCC3)n2)cc1OC(F)F ZINC000653667738 HF Annotated Anodyne CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc([C@@H]2[C@H]3CN(CCOC)C[C@H]32)n1 ZINC000653671208 HF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4)nc([C@H]3CCOC3)n2)cc1OC(F)F ZINC000653671254 HF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CS4)nc([C@@H]3CCOC3)n2)cc1OC(F)F ZINC000653671255 HF Annotated Anodyne C[C@@H]1CCCN1c1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2C[C@@H]3C[C@H]2CO3)n1 ZINC000653671298 HF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(CC(F)(F)F)n2)cc1OC(F)F ZINC000653673706 HF Annotated Anodyne CO[C@H]1CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CC4CC3C4)n2)C1 ZINC000653676802 HF Annotated Anodyne CO[C@@H]1CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CC4CC3C4)n2)C1 ZINC000653676803 HF Annotated Anodyne CCc1cc([C@H]2[C@@H]3CN(C4COC4)C[C@@H]32)cc(-c2cnc(N)c(OC(F)F)c2)n1 ZINC000653680473 HF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@H](F)C3)n2)cc1C(F)(F)F ZINC000653680476 HF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cc1Cc1ccccn1 ZINC000653681029 HF Annotated Anodyne C[C@@H](O)CN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)n1 ZINC000653681030 HF Annotated Anodyne C[C@H](O)CN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)n1 ZINC000653681031 HF Annotated Anodyne NC(=O)[C@H]1CCN(c2nc(N3C[C@H]4C[C@H]3CO4)c3c(-c4ccccc4)csc3n2)C1 ZINC000653681033 HF Annotated Anodyne NC(=O)[C@@H]1CCN(c2nc(N3C[C@H]4C[C@H]3CO4)c3c(-c4ccccc4)csc3n2)C1 ZINC000653681034 HF Annotated Anodyne CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc([C@@H]2[C@H]3CN([C@@H]4CCOC4)C[C@H]32)n1 ZINC000653681042 HF Annotated Anodyne CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc([C@@H]2[C@H]3CN([C@H]4CCOC4)C[C@H]32)n1 ZINC000653681043 HF Annotated Anodyne Nc1ncc(-c2cc(N3CC(N4CCOCC4)C3)cc(C3CC3)n2)cc1OC(F)F ZINC000653681057 HF Annotated Anodyne CN(C)c1ccc(-c2cnc3cnc(-c4cccc(C(=O)NCCO)c4)cn23)cc1 ZINC000653682846 HF Annotated Anodyne C[C@H]1CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 ZINC000653685084 HF Annotated Anodyne C[C@@H]1CCN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 ZINC000653685085 HF Annotated Anodyne Nc1ncc(-c2cc(C3CC(O)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653686479 HF Annotated Anodyne Nc1ncc(-c2cc(N3CCCOCC3)nc(N3CC4CC3C4)n2)cc1OC(F)F ZINC000653686882 HF Annotated Anodyne CN(C)CCCn1c(N)c(-c2nc3ccccc3s2)c2nc(C#N)c(C#N)nc21 ZINC000653687090 HF Annotated Mild CN(C)CCCCn1c(N)c(-c2nc3ccccc3o2)c2nc(C#N)c(C#N)nc21 ZINC000653687091 HF Annotated Mild CCN(CC)c1nc(-n2[nH]c(-c3ccccn3)nc2=N)c2cc(OC)c(OC)cc2n1 ZINC000653687452 HF Annotated Anodyne CN(C)CCn1c(N)c(-c2nc3ccc(Cl)cc3[nH]2)c2nc(C#N)c(C#N)nc21 ZINC000653688538 HF Annotated Mild CN(C)CCCn1c(N)c(-c2nc3ccc(Cl)cc3[nH]2)c2nc(C#N)c(C#N)nc21 ZINC000653690543 HF Annotated Mild O=[N+]([O-])c1c(Cl)c(Cl)cc2c1nc(C1CC1)n2Cc1ccc(B(O)O)cc1 ZINC000653692009 HF Annotated Reactive O=C(O)CCNc1nc(-c2nccs2)cc(N2CCC(N3CCCC3)CC2)n1 ZINC000653694192 HF Annotated Anodyne CN(C)CCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc(C#N)c(C#N)nc21 ZINC000653698603 HF Annotated Mild Cn1cc(-c2ccccc2)c2sc(/C(N)=N/C3CCS(=O)(=O)CC3)cc2c1=O ZINC000653699462 HF Annotated Mild CN(C)CCCCn1c(-c2c(N)n(C)c3nc(C#N)c(C#N)nc23)nc2ccccc21 ZINC000653699941 HF Annotated Mild CCOC(=O)c1c(C(F)(F)F)nc2cc(Cl)c(N3CCOCC3)cc2[n+]1[O-] ZINC000653700754 HF Annotated Clean CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1C(=O)C=CC1=O)c1ccccc1CC2 ZINC000653701027 HF Annotated Anodyne CCOC(=O)CCNc1nc(N2CCc3ccccc3CC2)cc(-n2cccn2)n1 ZINC000653702396 HF Annotated Anodyne NC(=O)c1ccc[n+](CC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)c1 ZINC000653708055 HF Annotated Mild O=C(Cn1cnc2cc3c(cc2c1=O)OCCO3)c1ccc(Br)cc1 ZINC000653709704 HF Annotated Anodyne O=C(Cn1cnc2cc3c(cc2c1=O)OCCO3)c1cccc(Br)c1 ZINC000653709723 HF Annotated Anodyne O=[N+]([O-])c1ccc(-n2cc(CN3CCN(c4noc5ccccc45)CC3)nn2)cc1 ZINC000653715010 HF Annotated Bother COCc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(C)C)P(=O)(O)O)cc2)s1 ZINC000653716024 HF Annotated Anodyne CO[P@](=O)(c1cncc(/C=C/C#N)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 ZINC000653727972 HF Annotated Reactive CO[P@@](=O)(c1cncc(/C=C/C#N)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 ZINC000653727973 HF Annotated Reactive CC[C@H]1O[C@@H]2O[C@H](/C=C/C=C\C=C\c3oc(=O)cc(OC)c3C)[C@H](O)[C@]2(C)[C@@]1(C)O ZINC000653732492 HF Annotated Anodyne Oc1ncnc2c(-n3cc(CCN4CCC(Cc5cccnc5)CC4)cn3)nccc12 ZINC000653735548 HF Annotated Anodyne O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N/N=C/c1ccccc1 ZINC000653736029 HF Annotated Reactive Oc1ncnc2c(-n3cc(CCN4CCC(c5ccncc5)CC4)cn3)nccc12 ZINC000653737482 HF Annotated Anodyne CN1C(=O)N[C@H]2[C@@H]3NC(=O)c4cc(-c5ccccc5)c(-c5ccccc5)n4[C@@H]3C[C@]21O ZINC000653739224 HF Annotated Anodyne Cn1cc(-c2ccc(Cc3n[nH]c4ccc(S(=O)(=O)NC5CC5)cc34)cc2)cn1 ZINC000653742703 HF Annotated Anodyne C=C(C)Cn1c(SCC(=O)N2CCOCC2)nc2sc3c(c2c1=O)CCCC3 ZINC000653745102 HF Annotated Mild Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]4C3)nc(N3CC4CC3C4)n2)cc1OC(F)F ZINC000653748746 HF Annotated Anodyne Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(OC(F)F)cc2)C3=O)n1 ZINC000653749333 HF Annotated Anodyne CN1CCN(c2ccc3nc(-c4cccc5c4OCO5)c(-c4cccnc4)n3n2)CC1 ZINC000653751704 HF Annotated Anodyne CN1CCN(c2ccc3nc(-c4ccc5c(c4)OCO5)c(-c4ccncc4)n3n2)CC1 ZINC000653751782 HF Annotated Anodyne CN1CCN(c2ccc3nc(-c4cccc5c4OCO5)c(-c4ccncc4)n3n2)CC1 ZINC000653751809 HF Annotated Anodyne Nc1ncc(-c2cc([C@H]3[C@H]4CN(C5COC5)C[C@H]43)nc(C3CC3)n2)cc1OC(F)F ZINC000653752962 HF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)cc(N3CC4CC3C4)n2)cc1OC(F)F ZINC000653753060 HF Annotated Anodyne CCNC(=O)Nc1cn(-c2ncc(C)cn2)c2cc(-c3ccn(C)c(=O)c3)cnc12 ZINC000653754015 HF Annotated Clean O=C(NCCCCN1C(=O)c2ccccc2C1=O)c1coc(-c2ccccc2O)n1 ZINC000653754310 HF Annotated Anodyne COCCN1C[C@@H]2[C@H](c3cc(-c4cnc(N)c(OC(F)F)c4)nc(C4CC4)n3)[C@@H]2C1 ZINC000653754919 HF Annotated Anodyne Nc1ncc(-c2cc(N3CCC4(CC3)COC4)nc(N3CCC3)n2)cc1OC(F)F ZINC000653755620 HF Annotated Anodyne Cc1nc(-c2nc(C(F)(F)F)no2)c(N)c2c1C(=O)N(Cc1ccccc1)C2=O ZINC000653755985 HF Annotated Anodyne Cc1ccc(-n2cc(/C=C/C(=O)C3=C(O)c4ccccc4S(=O)(=O)N3C)nn2)cc1 ZINC000653757872 HF Annotated Mild Nc1ncc(-c2cc(N3CC[C@]4(CCOC4)C3)nc(N3CCC3)n2)cc1OC(F)F ZINC000653758386 HF Annotated Anodyne Nc1ncc(-c2cc(N3CC[C@@]4(CCOC4)C3)nc(N3CCC3)n2)cc1OC(F)F ZINC000653758387 HF Annotated Anodyne CCNC(=O)Nc1cn(-c2nccc(CCCO)n2)c2cc(-c3cccnc3)cnc12 ZINC000653760738 HF Annotated Anodyne CCNC(=O)Nc1cn(-c2nccc(CCO)n2)c2cc(-c3cccnc3)cnc12 ZINC000653760743 HF Annotated Anodyne CCNC(=O)Nc1cn(-c2ncc(Cl)cn2)c2cc(-c3ccn(C)c(=O)c3)cnc12 ZINC000653761926 HF Annotated Clean CCNC(=O)Nc1cn(-c2ncc(Cl)cn2)c2cc(-c3cnc(C#N)nc3)cnc12 ZINC000653762996 HF Annotated Mild C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC=C(Cn1ccnc1)[C@H]2CCC1=CCOC1=O ZINC000653764342 HF Annotated Anodyne Cc1[nH]nc(N)c1-c1nc2ccc(S(=O)(=O)NNc3ccccc3)cc2s1 ZINC000653764984 HF Annotated Anodyne CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)n1 ZINC000653764990 HF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CCOCC3)n2)cc1OC(F)F ZINC000653765509 HF Annotated Anodyne C[C@]1(F)CCN(c2nc(-c3cnc(N)c(Cl)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 ZINC000653765544 HF Annotated Anodyne Cc1cc(-c2nc(-c3cnc(OC[C@H]4COC(=O)N4)cn3)no2)cc(CC(C)C)n1 ZINC000653766250 HF Annotated Anodyne Cc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)nc3)no2)cc(NC(C)C)n1 ZINC000653766295 HF Annotated Anodyne Cc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)cn3)no2)cc(NC(C)C)n1 ZINC000653766340 HF Annotated Anodyne Nc1ncc(-c2cc([C@H]3[C@@H]4COC[C@@H]43)nc(N3CC4CC3C4)n2)cc1OC(F)(F)F ZINC000653767512 HF Annotated Anodyne CO[C@H]1CCN(c2nccc(Nc3cc4c(cn3)nc(CO)n4C(C)C)n2)C[C@@H]1F ZINC000653768398 HF Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC(F)C3)n2)cc1OC(F)F ZINC000653769215 HF Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Br)cc2c1CNNC(=O)c1ccncc1 ZINC000653770035 HF Annotated Reactive C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC=C(Cn1cccn1)[C@H]2CCC1=CCOC1=O ZINC000653771314 HF Annotated Anodyne CCNC(=O)Nc1cn(-c2ncc(CC)cn2)c2cc(-c3ccn(C)c(=O)c3)cnc12 ZINC000653773278 HF Annotated Clean CS(=O)(=O)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1CCOCC1 ZINC000653775529 HF Annotated Anodyne CS(=O)(=O)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)C1CCOCC1 ZINC000653775530 HF Annotated Anodyne Nc1ncc(-c2cc(-n3cccn3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653778414 HF Annotated Anodyne O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cncc2ccccc12 ZINC000653779656 HF Annotated Anodyne O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1nccc2ccccc12 ZINC000653779680 HF Annotated Anodyne O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccnc2ccccc12 ZINC000653779712 HF Annotated Anodyne CN(C)CCNC(=O)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000653780496 HF Annotated Anodyne CC(C)C1=CC[C@H](CS(=O)(=O)c2nnnn2-c2ccccc2)[C@@]12C=CC(=O)CC2 ZINC000653782505 HF Annotated Mild C[C@H](C(=O)N1CCN(c2ccccc2C(F)(F)F)CC1)N1C(=O)CC(C)(C)C1=O ZINC000653784863 HF Annotated Anodyne C[C@@H](C(=O)N1CCN(c2ccccc2C(F)(F)F)CC1)N1C(=O)CC(C)(C)C1=O ZINC000653784864 HF Annotated Anodyne O=C([C@@H]1COC(c2nc3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)=N1)N1CCCC1 ZINC000653785028 HF Annotated Bother O=C(NCC1(O)CCC1)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 ZINC000653785943 HF Annotated Anodyne Cc1ccc2cccc(OS(=O)(=O)CCCCNC(=O)[C@@H](N)CC(C)C)c2n1 ZINC000653786505 HF Annotated Anodyne O=C(N[C@H]1CCCC[C@@H]1O)c1nn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 ZINC000653787426 HF Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1 ZINC000653787761 HF Annotated Anodyne O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc2ccncc2c1 ZINC000653790070 HF Annotated Anodyne O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc2ccccc2n1 ZINC000653790112 HF Annotated Anodyne O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc2cccnc2c1 ZINC000653790120 HF Annotated Anodyne O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc2ncccc2c1 ZINC000653790168 HF Annotated Anodyne CCNC(=O)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1 ZINC000653790216 HF Annotated Anodyne COc1cnc2ccc(=O)n(CCN3CCN(Cc4ccc(Cl)cc4)CC3)c2c1 ZINC000653793243 HF Annotated Anodyne COC1=C(OC)C(=O)[C@@]2(C)[C@H](C1)C[C@H]1OC(=O)C[C@H]3C(C)=C(OC)C(=O)[C@H]2[C@@]13C ZINC000653797954 HF Annotated Mild CC(=O)Nc1ccc([C@@H]2Nc3cc(F)cc4c(O)nnc(c34)[C@@H]2c2ncnn2C)cc1 ZINC000653798077 HF Annotated Anodyne CC(=O)Nc1ccc([C@H]2Nc3cc(F)cc4c(O)nnc(c34)[C@@H]2c2ncnn2C)cc1 ZINC000653798078 HF Annotated Anodyne CC(=O)Nc1ccc([C@@H]2Nc3cc(F)cc4c(O)nnc(c34)[C@H]2c2ncnn2C)cc1 ZINC000653798079 HF Annotated Anodyne CC(=O)Nc1ccc([C@H]2Nc3cc(F)cc4c(O)nnc(c34)[C@H]2c2ncnn2C)cc1 ZINC000653798080 HF Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000653798381 HF Annotated Anodyne CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000653798382 HF Annotated Anodyne CN(Cc1ccccc1)S(=O)(=O)c1ccc(N/N=C/c2ccc(O)c(O)c2)nc1 ZINC000653799351 HF Annotated Mild O=C(Nn1c(S)nc2cc3c(cc2c1=O)OCCO3)c1ccc(C(F)(F)F)cc1 ZINC000653802186 HF Annotated Anodyne O=C1O[C@@H](CN2CCOCC2)CN1c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1 ZINC000653802216 HF Annotated Anodyne COCCN1CCN(C(=O)c2nc3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000653803568 HF Annotated Bother CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3cc[n+](CC(=O)c4ccccc4)c3)[C@H]12 ZINC000653803717 HF Annotated Mild CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3cc[n+](CC(=O)c4ccccc4)c3)[C@@H]12 ZINC000653803719 HF Annotated Mild CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3cc[n+](CC(=O)c4ccccc4)c3)[C@H]12 ZINC000653803721 HF Annotated Mild CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3cc[n+](CC(=O)c4ccccc4)c3)[C@@H]12 ZINC000653803723 HF Annotated Mild O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccc2ccncc12 ZINC000653804955 HF Annotated Anodyne O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccc2cccnc12 ZINC000653804988 HF Annotated Anodyne CCC(=O)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1 ZINC000653804991 HF Annotated Anodyne CCOC(=O)c1cn(CC)c2cc(-n3cc(C4(O)CCCCC4)nn3)ccc2c1=O ZINC000653804998 HF Annotated Anodyne O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccc2cnccc12 ZINC000653805002 HF Annotated Anodyne CCOC(=O)c1cn(CC)c2ccc(-n3cc(C4(O)CCCCC4)nn3)cc2c1=O ZINC000653805015 HF Annotated Anodyne O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccc2ncccc12 ZINC000653805045 HF Annotated Anodyne C[C@H](NC(=O)c1n[nH]c2cc(NC(=O)c3cc4ccccc4s3)ccc12)C(N)=O ZINC000653805755 HF Annotated Anodyne COC(=O)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1 ZINC000653808013 HF Annotated Anodyne COC(=O)[C@@H]1C[C@H](NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CN1 ZINC000653808451 HF Annotated Anodyne COc1cc(Nc2nc3c(N4CCC[C@H]4CO)ncnc3s2)cc(OC)c1OC ZINC000653817121 HF Annotated Anodyne Cc1ccc([C@](C)(O)c2ncc(-n3ccc(NC(=O)c4cscn4)cc3=O)[nH]2)cc1 ZINC000653819578 HF Annotated Anodyne Cc1ccc([C@@](C)(O)c2ncc(-n3ccc(NC(=O)c4cscn4)cc3=O)[nH]2)cc1 ZINC000653819579 HF Annotated Anodyne Cc1cccc([C@](C)(O)c2ncc(-n3ccc(NC(=O)c4cscn4)cc3=O)[nH]2)c1 ZINC000653819592 HF Annotated Anodyne Cc1cccc([C@@](C)(O)c2ncc(-n3ccc(NC(=O)c4cscn4)cc3=O)[nH]2)c1 ZINC000653819593 HF Annotated Anodyne Cc1c(C(=O)CSCCNC(=O)c2ccc(F)cc2)[n+](=O)c2ccccc2n1O ZINC000653823150 HF Annotated Anodyne Cc1c(C(=O)CSCCNC(=O)C2CCCCC2)[n+](=O)c2ccccc2n1O ZINC000653823162 HF Annotated Anodyne C=CC(=O)N1CCC[C@@H](Nc2ncnc(NC)c2C(=O)c2ccc(OCC)cc2)C1 ZINC000653826059 HF Annotated Anodyne O=c1oc2ccc(F)cc2c(=O)n1-c1ccc(I)cc1F ZINC000653830090 HF Annotated Anodyne C=CC(=O)N1CCC(Nc2ncnc(NC)c2C(=O)c2ccc(OCC)cc2)CC1 ZINC000653831274 HF Annotated Anodyne O=c1oc2ccc(I)cc2c(=O)n1-c1ccc(F)cc1F ZINC000653834996 HF Annotated Anodyne O=c1nc(O)ccn1C[C@H]1C[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1 ZINC000653835440 HF Annotated Anodyne Cc1c(C(=O)CSCCNC(=O)c2cccs2)[n+](=O)c2ccccc2n1O ZINC000653838520 HF Annotated Anodyne CCCn1c(=O)ccc2c(C3CCN(c4nc(C(=O)O)c(C)s4)CC3)[nH]nc21 ZINC000653840732 HF Annotated Anodyne Cn1nc(N)c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc21 ZINC000653842122 HF Annotated Anodyne CCC(=O)Nc1ccc(-c2ncnc3c2cc(C(=O)NCCN2CCCC2)n3C)cc1 ZINC000653844319 HF Annotated Anodyne Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)NCNC4=O)cc2)cn1 ZINC000653850718 HF Annotated Anodyne CCn1ncc2c(F)cc(C(=O)Nc3nnc([C@@]4(C)CCN(C(C)=O)C4)s3)cc21 ZINC000653850838 HF Annotated Anodyne CCn1ncc2c(F)cc(C(=O)Nc3nnc([C@]4(C)CCN(C(C)=O)C4)s3)cc21 ZINC000653850839 HF Annotated Anodyne COc1cc(-c2nnc(SCC(=O)c3ccccc3F)n2N)cc(OC)c1OC ZINC000653857482 HF Annotated Anodyne CCCC[C@H](CN(O)C=O)C(=O)N1CC2(CC2)C[C@H]1c1nnc(-c2ccccn2)o1 ZINC000653857499 HF Annotated Anodyne COc1cc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2N)cc(OC)c1OC ZINC000653859547 HF Annotated Anodyne CC(C)[C@@H](CN1CCC(c2ccccn2)CC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 ZINC000653861039 HF Annotated Anodyne COc1ccc(S(=O)(=O)N2CCC[C@H](Cn3ccnc3)C2)cc1Br ZINC000653861701 HF Annotated Anodyne COc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3ccnc3)C2)cc1Br ZINC000653861702 HF Annotated Anodyne CCCC[C@H](CN(O)C=O)C(=O)N1CC2(CC2)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000653869254 HF Annotated Anodyne CC[C@@]1(O)C(OC)=C(Br)C(=O)C1=C(Br)Br ZINC000653869260 HF Annotated Mild Cc1ccc2c(=O)nc(CCCC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)[nH]n12 ZINC000653878741 HF Annotated Mild Cc1cc2ncc3c(n2n1)CN([C@H]1CO[C@H](c2cc(F)c(F)cc2F)[C@@H](N)C1)C3 ZINC000653886898 HF Annotated Anodyne CC(C)[C@@H](CN1CCC(c2ccncc2)CC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 ZINC000653899189 HF Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](Cn3ccnc3)C2)cc1C(F)(F)F ZINC000653905744 HF Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](Cn3ccnc3)C2)cc1C(F)(F)F ZINC000653905745 HF Annotated Bother CNCCNc1c2c(c(NCCNC)c3oc(C)cc13)C(=O)c1ccccc1C2=O ZINC000066066004 HF Annotated Clean CS/C(=N\C(=O)c1csc([N+](=O)[O-])c1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000066066040 HF Annotated Mild CCOC(=O)[C@@H]1CN(Cc2cc(C(=O)O)c(=O)n3ccccc23)Cc2ccccc21 ZINC000066066458 HF Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2cc(C(=O)O)c(=O)n3ccccc23)Cc2ccccc21 ZINC000066066459 HF Annotated Anodyne CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2ccncc2)C(=O)O)cc1 ZINC000066073904 HF Annotated Anodyne O=C(O)c1cc(CN2CCC(n3nnc4ccccc43)CC2)c2ccccn2c1=O ZINC000066073935 HF Annotated Anodyne CN(C)c1ccc(Cc2cn([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c3cccc(Cl)c23)cc1 ZINC000066100407 HF Annotated Anodyne CN(C)CCNC(=O)c1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1 ZINC000066103049 HF Annotated Anodyne CCOP(=O)(CC/C=C/Cn1ccc(=O)n(C(=O)c2ccccc2)c1=O)OCC ZINC000066111527 HF Annotated Anodyne Cn1cc(-c2cnn3c(N)c(Br)c(C[C@H]4CCC[C@@H](N)C4)nc23)cn1 ZINC000066111833 HF Annotated Anodyne CC(C)(C)S(=O)(=O)/C(C#N)=C/c1cccn1S(=O)(=O)c1cccc(C#N)c1 ZINC000066113816 HF Annotated Reactive CCCC1=CC2=C(CO1)C(=O)[C@](C)(O)[C@H](OC(=O)c1c(C)cc(O)c(O)c1OC)C2 ZINC000066114094 HF Annotated Mild in-vitro CCCC1=CC2=C(CO1)C(=O)[C@](C)(OC(=O)c1c(C)cc(O)c(O)c1OC)[C@H](O)C2 ZINC000066122942 HF Annotated Mild in-vitro CCCC1=CC2=C(CO1)C(=O)[C@](C)(OC(=O)c1c(C)cc(O)cc1OC)[C@H](O)C2 ZINC000066124159 HF Annotated Mild in-vitro C#CCN(CCCN(C(=O)CCl)c1ccc([N+](=O)[O-])cc1)C(=O)C(F)(F)F ZINC000066129077 HF Annotated Reactive COc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)nc2)cc1F ZINC000066148647 HF Annotated Bother CCN1C(=O)N(S(=O)(=O)C(F)(F)F)[C@H](c2ccccc2)C(C(=O)OC)=C1C ZINC000066165863 HF Annotated Anodyne O=C1C(=O)N(Cc2ccc3c(c2C(=O)O)OCCO3)c2ccc(Br)cc21 ZINC000066166928 HF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)F)cc3)nn1)C2 ZINC000066251519 HF Annotated Bother c1cc(-c2cc(NCCc3ccncc3)nc(N3CCOCC3)n2)c2cn[nH]c2c1 ZINC000066251661 HF Annotated Anodyne COc1ccc(-c2cncc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)c2)cc1F ZINC000066251966 HF Annotated Bother COc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cn2)cc1F ZINC000066252282 HF Annotated Bother CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cn3cc(CO)c(C(F)(F)F)c3)cc2C1 ZINC000066252778 HF Annotated Anodyne O=C(O)CN1CN(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2cc(F)ccc21 ZINC000066252829 HF Annotated Anodyne O=C(O)CN1CN(Cc2cc(F)c(F)cc2F)S(=O)(=O)c2cc(Cl)ccc21 ZINC000066258447 HF Annotated Anodyne NC(=O)c1cc(C(N)=O)n(-c2cccc(-c3c(F)cccc3OC(F)(F)F)c2)n1 ZINC000066258456 HF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)nc3)nn1)C2 ZINC000066258590 HF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnc(-c3ccc(C(F)(F)F)nc3)cn1)C2 ZINC000066258647 HF Annotated Bother O=S(=O)(N[C@H]1CCc2cc(Cn3cc(CO)c(C(F)(F)F)n3)ccc21)C1CC1 ZINC000066258700 HF Annotated Anodyne O=S(=O)(N[C@@H]1CCc2cc(Cn3cc(CO)c(C(F)(F)F)n3)ccc21)C1CC1 ZINC000066258701 HF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnc(-c3ccc(OC(F)F)cc3)cn1)C2 ZINC000066258798 HF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnc(-c3ccc(OC(F)F)cc3)nc1)C2 ZINC000066258846 HF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnc(-c3ccc(C(F)(F)F)nc3)nc1)C2 ZINC000066258847 HF Annotated Bother COc1ccc(C[C@@H](C)NCCOc2ccccc2OC(C)C)cc1S(N)(=O)=O ZINC000066258857 HF Annotated Anodyne COc1ccc(-c2cccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)n2)cc1F ZINC000066258995 HF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ncc(-c3ccc(OC(F)F)cc3)cn1)C2 ZINC000066259383 HF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ncc(-c3ccc(C(F)(F)F)nc3)cn1)C2 ZINC000066259384 HF Annotated Bother O=C(O)CN1CN(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccccc21 ZINC000066259632 HF Annotated Anodyne c1cncc(CCNc2cc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)c1 ZINC000066260154 HF Annotated Anodyne COc1ccc(/C=N/N(C(=O)c2ccc(N)cc2)C(=O)c2cccnc2)cc1OC ZINC000066260222 HF Annotated Reactive COc1ccc(-c2ccnc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)c2)cc1F ZINC000066262709 HF Annotated Bother C[C@@H](O)c1cc(C(=O)NCCN(C)C)c(NC(=O)Nc2ccc3[nH]ncc3c2)s1 ZINC000066263045 HF Annotated Anodyne C[C@H](O)c1cc(C(=O)NCCN(C)C)c(NC(=O)Nc2ccc3[nH]ncc3c2)s1 ZINC000066263047 HF Annotated Anodyne COc1ccc(-c2cc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)ccn2)cc1F ZINC000066263128 HF Annotated Bother O=C(O)CN1CN(Cc2ccc(C(F)(F)F)cc2)c2ccccc2S1(=O)=O ZINC000066263413 HF Annotated Anodyne NC[C@@H](NC(=O)C[C@H]1CNC(=O)c2cc(-c3cccc(F)c3)cn21)c1ccccc1 ZINC000068204250 HF Annotated Anodyne C/C(=N\OCCO)c1ccc2ncc([C@@H](C)c3c(F)cc4c(cnn4C)c3F)n2n1 ZINC000068248543 HF Annotated Mild C[C@@H]1CCN(C(=O)Nc2nc3c(s2)-c2nc(C(C)(C)C)ncc2CC3)[C@@H]1C(N)=O ZINC000068248843 HF Annotated Anodyne in-vitro O=C(N[C@H]1CCCNC1)c1ccnc2nc(-c3ccc(Br)s3)[nH]c12 ZINC000068249351 HF Annotated Anodyne CC(C)c1nc(N2CCN(c3ncc(OCc4ccncc4C#N)cn3)[C@H](C)C2)no1 ZINC000068250896 HF Annotated Mild CC(C)c1noc(N2CCN(c3ncc(OCc4ccncc4C#N)cn3)[C@H](C)C2)n1 ZINC000068250900 HF Annotated Mild Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1 ZINC000068267363 HF Annotated Anodyne COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1C[C@H](O)[C@@H](O)CN1C3 ZINC000068267597 HF Annotated Bother CCNC(=O)Nc1nc2cc(-c3cncnc3)c(OC[C@@H]3CCOC3)nc2s1 ZINC000069063309 HF Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cncnc3)c(OC[C@H]3CCOC3)nc2s1 ZINC000069063316 HF Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnn(C)c3)c(OC[C@@H]3CCOC3)nc2s1 ZINC000069063333 HF Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnn(C)c3)c(OC[C@H]3CCOC3)nc2s1 ZINC000069063340 HF Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(CCOC)Cc1cccs1 ZINC000007006918 HF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccc(OC)c(OC)c2OC)nc1 ZINC000007159508 HF Annotated Mild O=C1NCC/C(=N\Nc2ccccn2)c2c1[nH]c(Br)c2Br ZINC000070460200 HF Annotated Mild O=C1NCC/C(=N\Nc2cccnc2)c2c1[nH]c(Br)c2Br ZINC000070460207 HF Annotated Mild O=C1NCC/C(=N\Nc2ccncc2)c2c1[nH]c(Br)c2Br ZINC000070460209 HF Annotated Mild Cc1cccc(N2CCN(C(=O)CN3CCc4nc(C)cc(C)c4C3=O)C[C@@H]2C)c1 ZINC000070461151 HF Annotated Anodyne Cc1cccc(N2CCN(C(=O)CN3CCc4nc(C)cc(C)c4C3=O)C[C@H]2C)c1 ZINC000070461152 HF Annotated Anodyne CN1[C@@H](c2ccc(C(=N)N)cc2)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C[C@@H]2C1(C)C ZINC000070718750 HF Annotated Anodyne CN1[C@@H](c2ccc(C(=N)N)cc2)[C@@H]2CN(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]2C1(C)C ZINC000070718774 HF Annotated Anodyne CC(C)N1CNc2c(Nc3cccc(Cl)c3)nc(N(CCO)CCCO)nc21 ZINC000070719213 HF Annotated Anodyne CCOn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O ZINC000071280984 HF Annotated Anodyne COc1ccc(-c2ccc3c(c2)n2ncc(I)c2n[n+]3[O-])cc1 ZINC000071281029 HF Annotated Anodyne CNC(=N)c1ccc(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])o4)s3)CC2)cc1 ZINC000071281868 HF Annotated Bother CN(C)c1ccc([C@H]2N=C(N)N=C(NCCCOc3ccc(Cl)cc3)N2)cc1 ZINC000071282265 HF Annotated Clean CN(C)c1ccc([C@@H]2N=C(N)N=C(NCCCOc3ccc(Cl)cc3)N2)cc1 ZINC000071282267 HF Annotated Clean COc1ccccc1-c1ccc2c(c1)n1ncc(I)c1n[n+]2[O-] ZINC000071282440 HF Annotated Anodyne COc1ccc2nc(C)cc(-n3cc(CNS(=O)(=O)c4ccccc4)nn3)c2c1 ZINC000071294563 HF Annotated Anodyne Cc1ccc(NC(=O)[C@H](CC(C)C)n2ccc(S(=O)(=O)C(C)C)cc2=O)nc1 ZINC000071295413 HF Annotated Anodyne COc1cc(N2CCN(C3=CC(=O)c4ccccc4C3=O)CC2)cc(OC)c1OC ZINC000071295854 HF Annotated Mild COc1ccc2nc(C)cc(-n3cc(CNS(=O)(=O)c4ccc(C)cc4)nn3)c2c1 ZINC000071296192 HF Annotated Anodyne C[C@H]1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)N1Cc1ccccn1 ZINC000071296406 HF Annotated Anodyne C[C@H]1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)N1Cc1cccnc1 ZINC000071296856 HF Annotated Anodyne COc1ccc(Cl)c2c1NC(=O)/C2=N\N=C1/SCC(=O)N1c1ccc(O)cc1 ZINC000071296992 HF Annotated Mild COC(=O)/C=C\[C@H]1C[C@H]2O[C@@H](C[C@H]2Cl)[C@@H](Br)C[C@H]2O[C@@H]2[C@H](C)O1 ZINC000071316955 HF Annotated Reactive O=C(N[C@H](c1ccccn1)C(F)(F)F)c1nc(N2CCOCC2)n2ccccc12 ZINC000071317821 HF Annotated Anodyne CCc1c(C(=O)c2cc(C)cc(C)c2)n(COCc2ccccc2)c(=O)n(O)c1=O ZINC000071318560 HF Annotated Anodyne C[C@H]1C(=O)N(c2ccc(S(C)(=O)=O)cc2)C(=O)N1Cc1ccnc2ccccc12 ZINC000071329319 HF Annotated Anodyne O=[N+]([O-])c1ccc2nc(Nc3cccc(F)c3)nc(NCCOP(=O)(O)O)c2c1 ZINC000071329391 HF Annotated Bother CCOC(=O)c1ccc(N2C(=O)CS/C2=N\N=C2/C(=O)Nc3ccccc32)cc1 ZINC000071329543 HF Annotated Mild O=C(NCC1(CO)CCCC1)c1nc(CN2CCC(F)(F)CC2)n2ccccc12 ZINC000071329941 HF Annotated Anodyne COc1ccc([C@@H]2ON(C)[C@H](P(=O)(O)O)[C@H]2C(=O)c2ccccc2OC)cc1 ZINC000071330674 HF Annotated Anodyne O=C(O)/C(=C\c1ccc(O)c(O)c1)c1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O ZINC000071331834 HF Annotated Clean CCCCCNC(=O)[C@H]1N(CCCN(C)C)C(=O)C2=C(CCCC)[C@H]3C=C[C@]21O3 ZINC000071333266 HF Annotated Anodyne O=C(NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1)c1ccccc1 ZINC000071340443 HF Annotated Anodyne Cc1cccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000071340648 HF Annotated Anodyne CCCCCNC(=O)[C@@H]1N(CCCN(C)C)C(=O)C2=C(CCCC)[C@H]3C=C[C@]21O3 ZINC000071410969 HF Annotated Anodyne Cc1cc(C(=O)NC2CCN([C@@H](c3ccc(C#N)cc3)c3cccnc3)CC2)nn1C ZINC000072101287 HF Annotated Mild Cc1cc(C(=O)NC2CCN([C@H](c3ccc(C#N)cc3)c3cccnc3)CC2)nn1C ZINC000072101288 HF Annotated Mild CC(C)S(=O)(=O)N1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072101719 HF Annotated Anodyne CC(C)S(=O)(=O)N1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072101720 HF Annotated Anodyne CS(=O)(=O)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072101729 HF Annotated Anodyne CS(=O)(=O)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072101730 HF Annotated Anodyne Cn1ccnc1C(=O)NC1CCN([C@@H](c2ccc(C#N)cc2)c2cccnc2)CC1 ZINC000072102291 HF Annotated Mild Cn1ccnc1C(=O)NC1CCN([C@H](c2ccc(C#N)cc2)c2cccnc2)CC1 ZINC000072102292 HF Annotated Mild CC(C)CS(=O)(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072102835 HF Annotated Anodyne CC(C)CS(=O)(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072102836 HF Annotated Anodyne CC(C)Oc1ccc([C@H](NC2CCN(S(C)(=O)=O)CC2)c2cccnc2)cc1 ZINC000072103075 HF Annotated Anodyne CC(C)Oc1ccc([C@@H](NC2CCN(S(C)(=O)=O)CC2)c2cccnc2)cc1 ZINC000072103076 HF Annotated Anodyne Cc1cc(C(=O)NC2CCN([C@@H](c3ccc(C#N)cc3)c3cccnc3)CC2)n(C)n1 ZINC000072103110 HF Annotated Mild Cc1cc(C(=O)NC2CCN([C@H](c3ccc(C#N)cc3)c3cccnc3)CC2)n(C)n1 ZINC000072103111 HF Annotated Mild CS(=O)(=O)N1CCN([C@@H](c2cccnc2)c2ccc(C(F)(F)F)cc2F)CC1 ZINC000072103432 HF Annotated Anodyne CS(=O)(=O)N1CCN([C@H](c2cccnc2)c2ccc(C(F)(F)F)cc2F)CC1 ZINC000072103433 HF Annotated Anodyne CC(C)CS(=O)(=O)N1CCC(N[C@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072103554 HF Annotated Anodyne CC(C)CS(=O)(=O)N1CCC(N[C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072103555 HF Annotated Anodyne CC(C)S(=O)(=O)N1CCC(N[C@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072103750 HF Annotated Anodyne CC(C)S(=O)(=O)N1CCC(N[C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072103752 HF Annotated Anodyne O=C(O)CCN1Cc2ccc(NC(=O)c3ccc(C4CCNCC4)cc3)cc2C1=O ZINC000072105024 HF Annotated Anodyne O=C(Nc1ccccc1)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000072106260 HF Annotated Anodyne C[C@@]1(c2ccc(Br)nc2)OC(=O)N(Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000072106658 HF Annotated Bother C[C@]1(c2ccc(Br)nc2)OC(=O)N(Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000072106659 HF Annotated Bother O=C1N[C@H](CN2CCN(c3ccccc3)CC2)[C@@H](COC(=O)Oc2ccccc2)O1 ZINC000072107318 HF Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1C(=CCn3c(=O)n(-c4ccccc4)c(=O)n31)C(C)(C)O2 ZINC000072107716 HF Annotated Anodyne COc1cc2c(cc1OC)[C@H]1C(=CCn3c(=O)n(-c4ccccc4)c(=O)n31)C(C)(C)O2 ZINC000072107717 HF Annotated Anodyne CC1(C)Oc2cc(O)ccc2[C@@H]2C1=CCn1c(=O)n(-c3ccc(Cl)cc3)c(=O)n12 ZINC000072108138 HF Annotated Anodyne CC1(C)Oc2cc(O)ccc2[C@H]2C1=CCn1c(=O)n(-c3ccc(Cl)cc3)c(=O)n12 ZINC000072108139 HF Annotated Anodyne CC1(C)Oc2cc(O)ccc2[C@@H]2C1=CCn1c(=O)n(-c3ccccc3Cl)c(=O)n12 ZINC000072108140 HF Annotated Anodyne CC1(C)Oc2cc(O)ccc2[C@H]2C1=CCn1c(=O)n(-c3ccccc3Cl)c(=O)n12 ZINC000072108141 HF Annotated Anodyne N#CC1(c2cc(F)ccn2)CCN(Cc2cc(C(=O)O)c(=O)n3ccccc23)CC1 ZINC000072109898 HF Annotated Mild O=C1NCCN1c1ccc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000072110926 HF Annotated Anodyne C=CCN1C(=O)N2C[C@@H](C)N=C2c2[nH]c(-c3cc(OCc4ccccc4)nn3C)nc21 ZINC000072112551 HF Annotated Mild C=CCN1C(=O)N2C[C@H](C)N=C2c2[nH]c(-c3cc(OCc4ccccc4)nn3C)nc21 ZINC000072112552 HF Annotated Mild O=C(O)CC(=O)N1CCN(c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)C(=O)C1 ZINC000072113336 HF Annotated Anodyne CCCCCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccc(S(C)(=O)=O)cc1 ZINC000072113376 HF Annotated Mild CC(=O)O[C@H]1C=CC(=O)O[C@@H]1[C@H]1N=C(C(=O)c2ccccc2)O[C@@H]1c1ccccc1 ZINC000072113667 HF Annotated Anodyne O=C(O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccccc1)[C@@H]23 ZINC000072113715 HF Annotated Anodyne COc1ccc(C2=NO[C@H](c3ccc(C)cc3)[C@@H]2S(=O)(=O)CC2=NCCO2)cc1 ZINC000072116562 HF Annotated Anodyne COc1ccc(C2=NO[C@@H](c3ccc(C)cc3)[C@@H]2S(=O)(=O)CC2=NCCO2)cc1 ZINC000072116563 HF Annotated Anodyne COc1ccc(C2=NO[C@H](c3ccc(C)cc3)[C@H]2S(=O)(=O)CC2=NCCO2)cc1 ZINC000072116564 HF Annotated Anodyne COc1ccc(C2=NO[C@@H](c3ccc(C)cc3)[C@H]2S(=O)(=O)CC2=NCCO2)cc1 ZINC000072116565 HF Annotated Anodyne CCNC(=S)N/N=C(\c1ccc(I)cc1)c1ccccn1 ZINC000072116691 HF Annotated Mild CN(C)C(=S)N/N=C(\c1ccc(I)cc1)c1ccccn1 ZINC000072118707 HF Annotated Mild COc1ccc(CN2C(=O)[C@@H](C)[C@@]2(Cc2ccccc2)C(=O)N2CCOCC2)cc1 ZINC000072119719 HF Annotated Anodyne CCN(CC)C[C@@H]1CN(CC(=O)Nc2cc(C)nc3ccc(OC)cc23)C(=O)O1 ZINC000072119959 HF Annotated Anodyne CCN(CC)C[C@H]1CN(CC(=O)Nc2cc(C)nc3ccc(OC)cc23)C(=O)O1 ZINC000072119960 HF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ccc(-c3ccc(F)cc3)cn1)C2 ZINC000072122768 HF Annotated Bother N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc2ccccc2nc1N1CCOCC1 ZINC000072122840 HF Annotated Reactive N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc2ccccc2nc1N1CCOCC1 ZINC000072122841 HF Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ncc(-c3ccc(OC(F)(F)F)cc3)cn1)C2 ZINC000072122843 HF Annotated Bother Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2cnnn2)cc1 ZINC000072122940 HF Annotated Clean Cc1noc([C@@H]2C[C@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000072123034 HF Annotated Anodyne Cc1noc([C@H]2C[C@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000072123035 HF Annotated Anodyne N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc2ccccc2nc1N1CCOCC1 ZINC000072123207 HF Annotated Reactive N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc2ccccc2nc1N1CCOCC1 ZINC000072123208 HF Annotated Reactive Cc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2c1 ZINC000072123319 HF Annotated Reactive Cc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2c1 ZINC000072123320 HF Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cc(-c3ccc(OC(F)(F)F)cc3)ncn1)C2 ZINC000072124384 HF Annotated Bother Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1cnc(-n2ccnc2)nc1 ZINC000072124604 HF Annotated Clean Cc1cc2c(c(=O)o1)[C@H](c1cc3ccccc3nc1N1CCOCC1)C(C#N)=C(N)O2 ZINC000072124675 HF Annotated Reactive Cc1cc2c(c(=O)o1)[C@@H](c1cc3ccccc3nc1N1CCOCC1)C(C#N)=C(N)O2 ZINC000072124676 HF Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cc(-c3ccc(C(F)(F)F)nc3)ncn1)C2 ZINC000072126094 HF Annotated Bother Nc1c(F)c(NCCc2ccncc2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000072126968 HF Annotated Anodyne Nc1c(F)c(NCCCn2ccnc2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000072126986 HF Annotated Anodyne O=C(c1cc(F)cc(F)c1)c1cc(Cl)ccc1OCCn1ccc(=O)[nH]c1=O ZINC000072127005 HF Annotated Anodyne CC[C@H](Cn1cc(Cl)cn1)n1cnc2cc3c(cc2c1=O)O[C@@H]1CCCN1C3=O ZINC000072128507 HF Annotated Anodyne CC[C@H](Cn1cc(Cl)cn1)n1cnc2cc3c(cc2c1=O)O[C@H]1CCCN1C3=O ZINC000072128508 HF Annotated Anodyne C#C[C@H](Cc1cccc(F)c1)n1cnc2cc3c(cc2c1=O)O[C@@H]1CCCN1C3=O ZINC000072128570 HF Annotated Mild C#C[C@H](Cc1cccc(F)c1)n1cnc2cc3c(cc2c1=O)O[C@H]1CCCN1C3=O ZINC000072128571 HF Annotated Mild C#C[C@H](Cc1cccc(F)c1)N1COc2cc3c(cc2C1=O)O[C@@H]1CCCN1C3=O ZINC000072128586 HF Annotated Mild C#C[C@H](Cc1cccc(F)c1)N1COc2cc3c(cc2C1=O)O[C@H]1CCCN1C3=O ZINC000072128587 HF Annotated Mild COC[C@H](NS(=O)(=O)c1ccc(Br)cc1F)[C@H](O)c1ccccc1 ZINC000072137920 HF Annotated Anodyne COC[C@@H](NS(=O)(=O)c1ccc(Br)cc1F)[C@H](O)c1ccccc1 ZINC000072137921 HF Annotated Anodyne COC[C@@H](NS(=O)(=O)c1ccc(Br)cc1F)[C@@H](O)c1ccccc1 ZINC000072137922 HF Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)[C@@H](OC(C)=O)CC[C@@](C)(C(=O)OC)[C@H]1C[C@@H]3O ZINC000072138296 HF Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)[C@@H](OC(C)=O)CC[C@@](C)(C(=O)OC)[C@@H]1C[C@@H]3O ZINC000072138297 HF Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@@H]2[C@]1(C)[C@@H](OC(C)=O)CC[C@@](C)(C(=O)OC)[C@H]1C[C@@H]3O ZINC000072138298 HF Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@@H]2[C@]1(C)[C@@H](OC(C)=O)CC[C@@](C)(C(=O)OC)[C@@H]1C[C@@H]3O ZINC000072138299 HF Annotated Mild O=C([C@@H]1CCCO1)N1CCN(Cc2coc(-c3ccccc3Br)n2)CC1 ZINC000072141324 HF Annotated Anodyne O=C([C@H]1CCCO1)N1CCN(Cc2coc(-c3ccccc3Br)n2)CC1 ZINC000072141325 HF Annotated Anodyne O=C(c1nc(C(F)(F)F)[nH]c1-c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000072141349 HF Annotated Anodyne O=C(c1nc(C(F)(F)F)[nH]c1-c1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000072141350 HF Annotated Anodyne O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCF)c1ccc(Br)cn21 ZINC000072142458 HF Annotated Clean O=C(O)COCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1 ZINC000072142640 HF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ncc(-c3ccc(C(F)(F)F)nc3)cn1)C2 ZINC000072142878 HF Annotated Bother CCn1cc(-c2nnc(S)n2/N=C/c2ccc(O)cc2)c(=O)c2ccc(C)nc21 ZINC000072142899 HF Annotated Mild C[C@H](O)[C@H](C)C(=O)C[C@H]1C2=COC(/C=C/[C@@H](C)[C@@H](C)O)=CC2=C(Cl)C(=O)[C@@]1(C)O ZINC000072171978 HF Annotated Mild Cc1cncc(Oc2ccc(C(=O)NNC(=O)C(=O)c3c[nH]c4ccccc34)cc2)n1 ZINC000072173369 HF Annotated Reactive O=C1c2cc3c(cc2OCN1CCc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1O3 ZINC000072173510 HF Annotated Bother O=C1c2cc3c(cc2OCN1CCc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1O3 ZINC000072173511 HF Annotated Bother O=C1c2cc3c(cc2OCN1CCc1cc(F)cc(F)c1)C(=O)N1CCC[C@H]1O3 ZINC000072173512 HF Annotated Anodyne O=C1c2cc3c(cc2OCN1CCc1cc(F)cc(F)c1)C(=O)N1CCC[C@@H]1O3 ZINC000072173513 HF Annotated Anodyne C[C@H](O)CNC(=O)c1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1 ZINC000072175031 HF Annotated Mild C[C@@H](O)CNC(=O)c1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1 ZINC000072175032 HF Annotated Mild N#Cc1c(-c2ccc(C(=O)NCCCO)cc2)c(C#N)c2nc3ccccc3n2c1N ZINC000072175154 HF Annotated Mild CN(C)C(=O)COc1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1 ZINC000072175433 HF Annotated Mild Cc1cc2nc3c(C#N)c(-c4ccc(OCC(N)=O)cc4)c(C#N)c(N)n3c2cc1C ZINC000072175592 HF Annotated Mild O=C1CC[C@@H](N2Cc3ccccc3C2=O)C(=O)N1CSC(=S)N1CCCCC1 ZINC000072175911 HF Annotated Anodyne O=C1CC[C@H](N2Cc3ccccc3C2=O)C(=O)N1CSC(=S)N1CCCCC1 ZINC000072175912 HF Annotated Anodyne N#Cc1c(-c2ccc(OCC(N)=O)cc2)c(C#N)c2nc3c(Cl)cccc3n2c1N ZINC000072176122 HF Annotated Mild Cc1ccc2c(nc3c(C#N)c(-c4ccc(OCC(N)=O)cc4)c(C#N)c(N)n32)c1C ZINC000072176506 HF Annotated Mild CN(C)CCNC(=O)c1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1 ZINC000072176920 HF Annotated Mild C[C@H](C(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21)c1ccc2c(c1)OCO2 ZINC000072177961 HF Annotated Reactive C[C@@H](C(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21)c1ccc2c(c1)OCO2 ZINC000072177962 HF Annotated Reactive O=C(Cc1ccc(O)cc1)N/N=C1\C(=O)Nc2c(Br)cc(Cl)cc21 ZINC000072178650 HF Annotated Reactive NCCCNCCNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072178680 HF Annotated Anodyne NCCCNCCNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072178681 HF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](N[C@@H](c1ccc(OC(F)(F)F)cc1)c1ncc[nH]1)C2 ZINC000072178900 HF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](N[C@H](c1ccc(OC(F)(F)F)cc1)c1ncc[nH]1)C2 ZINC000072178901 HF Annotated Bother CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1 ZINC000072178913 HF Annotated Anodyne CCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000072178965 HF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)cc1OC1CC1)C2 ZINC000072179276 HF Annotated Bother Nc1ccc(C2=C[C@@H](c3ccc(Cl)cc3)N3N=C(S(N)(=O)=O)SC3=N2)cc1 ZINC000072180793 HF Annotated Anodyne Nc1ccc(C2=C[C@H](c3ccc(Cl)cc3)N3N=C(S(N)(=O)=O)SC3=N2)cc1 ZINC000072180794 HF Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C)c3c2)c1F ZINC000072180833 HF Annotated Anodyne CC1(C)Cc2cccc(Oc3ccc(/C(=N/O)NCCN4CCOCC4)cn3)c2O1 ZINC000072180932 HF Annotated Mild CCOP(=O)(OCC)O[C@H]1CCCC[C@@H]1N1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O ZINC000072181068 HF Annotated Anodyne CCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F ZINC000072181322 HF Annotated Anodyne CCOP(=O)(OCC)OCCCCCCN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O ZINC000072181395 HF Annotated Anodyne COC(=O)N1C[C@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1 ZINC000072181464 HF Annotated Anodyne COC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1 ZINC000072181465 HF Annotated Anodyne COC(=O)N1C[C@H](Oc2cccc(F)c2)C[C@H]1C(=O)N1CCCN(C2CCC2)CC1 ZINC000072181466 HF Annotated Anodyne COC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@H]1C(=O)N1CCCN(C2CCC2)CC1 ZINC000072181467 HF Annotated Anodyne COc1ccc([C@@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=S)cc1OC ZINC000072181897 HF Annotated Anodyne COc1ccc([C@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=S)cc1OC ZINC000072181898 HF Annotated Anodyne COc1ccc([C@@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=S)cc1OC ZINC000072181899 HF Annotated Anodyne COc1ccc([C@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=S)cc1OC ZINC000072181900 HF Annotated Anodyne CC(=O)OCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072182653 HF Annotated Mild CSc1ccc(Oc2ncccc2/C(=N/O)NCCN2CCOCC2)cc1C ZINC000072182665 HF Annotated Mild CCn1cc(-c2nnc(S)n2NC(=O)c2ccccc2)c(=O)c2ccc(C)nc21 ZINC000072182742 HF Annotated Anodyne C[C@H](Br)C(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@@H]1CCCC(=O)O ZINC000072183043 HF Annotated Reactive C[C@@H](Br)C(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@@H]1CCCC(=O)O ZINC000072183044 HF Annotated Reactive O=C(O)CCC[C@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccccc1)[C@@H]23 ZINC000072184018 HF Annotated Anodyne Cc1cc(C(=O)NC2CCN([C@@H](c3ccc(C#N)cc3)c3cccnc3)CC2)[nH]n1 ZINC000072185446 HF Annotated Mild Cc1cc(C(=O)NC2CCN([C@H](c3ccc(C#N)cc3)c3cccnc3)CC2)[nH]n1 ZINC000072185447 HF Annotated Mild CC(C)CS(=O)(=O)NC1CCN([C@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072185756 HF Annotated Anodyne CC(C)CS(=O)(=O)NC1CCN([C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072185757 HF Annotated Anodyne CS(=O)(=O)NC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072185883 HF Annotated Anodyne CS(=O)(=O)NC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072185884 HF Annotated Anodyne CSc1ccc(Oc2nc(C)ccc2/C(=N/O)NCCN2CCOCC2)cc1 ZINC000072185969 HF Annotated Mild C=C(CN(CCCC1CCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1ncccn1)NO ZINC000072190064 HF Annotated Mild in-vivo CN1CC(CN(CCN=[N+]=[N-])S(C)(=O)=O)=C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 ZINC000072284221 HF Annotated Clean CCn1cc(Br)c2cnc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc21 ZINC000072316116 HF Annotated Anodyne COC(=O)N(C)[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 ZINC000072318358 HF Annotated Anodyne COC(=O)N(C)[C@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 ZINC000072318359 HF Annotated Anodyne OCC1CCN(c2nccnc2C2CN(c3ncc4ccc(Cl)cc4n3)C2)CC1 ZINC000072318360 HF Annotated Anodyne OCC1CCN(c2nccnc2C2CN(c3cnc4ccc(Cl)cc4n3)C2)CC1 ZINC000072318361 HF Annotated Anodyne CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)Nc1cc(OC)ccc1OC ZINC000072322911 HF Annotated Mild CN(C)C(=O)c1cc2ncc(C(=O)NCc3cc(-c4ccccc4)on3)cc2n1C ZINC000072323445 HF Annotated Anodyne CN(C)C(=O)c1cc2ncc(C(=O)NCc3cc(-c4ccc(F)cc4)on3)cc2n1C ZINC000072323446 HF Annotated Anodyne CN(C)C(=O)c1cc2ncc(C(=O)NCc3cc(-c4cccs4)on3)cc2n1C ZINC000072323448 HF Annotated Anodyne CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)Nc1nnc(SCC)s1 ZINC000072323596 HF Annotated Mild Cc1nc(C(=O)NNC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc2c1[nH]c1ccccc12 ZINC000073138743 HF Annotated Reactive Cn1nnc2cc(/C=N\NC(=O)c3c[nH]c4c(C(F)(F)F)cccc4c3=O)ccc21 ZINC000073138940 HF Annotated Reactive NCCNC(=O)c1cc2c([nH]c3ccc(O)cc32)c(C(=O)c2c[nH]c3ccccc23)n1 ZINC000073141064 HF Annotated Anodyne CC1(C)CCc2cc(S(=O)(=O)N3CCC(CCCC(=O)NO)CC3)ccc2O1 ZINC000073141125 HF Annotated Bother N#Cc1cc(C#N)cc(Oc2ccc(Cl)cc2OCCn2ccc(=O)[nH]c2=O)c1 ZINC000073156479 HF Annotated Mild N#Cc1cc(Cl)cc(Oc2ccc(C#N)cc2OCCn2ccc(=O)[nH]c2=O)c1 ZINC000073156494 HF Annotated Mild COc1cc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c(OC)c2c1OCO2 ZINC000073156676 HF Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c(OC)c2c1OCO2 ZINC000073156681 HF Annotated Anodyne N#Cc1cc(C#N)cc(Oc2cc(Cl)ccc2OCCn2ccc(=O)[nH]c2=O)c1 ZINC000073156718 HF Annotated Mild NCCCCCCN1C(=O)N(CC(=O)O)C(=O)C1(c1ccccc1)c1ccccc1 ZINC000073156924 HF Annotated Anodyne N#Cc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CCCCC4)cc1 ZINC000073158620 HF Annotated Reactive CCCCCCO[C@H]1C=C(COC(C)=O)C(=O)[C@@H]2O[C@@](C)(OC)[C@](C)(OC)O[C@@H]12 ZINC000073161824 HF Annotated Mild CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(C5(C#N)CC5)nc4)cc3OC[C@@H]12 ZINC000073162298 HF Annotated Mild NS(=O)(=O)c1ccc2c(c1)[S@](c1ccc(Cl)c(Cl)c1)=NS2(=O)=O ZINC000073162462 HF Annotated Anodyne NS(=O)(=O)c1ccc2c(c1)[S@@](c1ccc(Cl)c(Cl)c1)=NS2(=O)=O ZINC000073162464 HF Annotated Anodyne O=C1[C@@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC=CCN1O ZINC000073162625 HF Annotated Anodyne NS(=O)(=O)c1ccc2c(c1)[S@](c1ccc(Cl)cc1Cl)=NS2(=O)=O ZINC000073164397 HF Annotated Anodyne NS(=O)(=O)c1ccc2c(c1)[S@@](c1ccc(Cl)cc1Cl)=NS2(=O)=O ZINC000073164400 HF Annotated Anodyne O=C1[C@H](NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC=CCN1O ZINC000073165415 HF Annotated Anodyne O=S(=O)(c1ccccc1)N1CCOC12CCN(c1cnc3ccccc3n1)CC2 ZINC000073167162 HF Annotated Anodyne O=[N+]([O-])c1ncn(CCCCN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000073167466 HF Annotated Bother Cn1nnnc1/N=C(\O)N1CCC2(CC1)C[C@H](c1cccc(C(F)(F)F)c1)CO2 ZINC000073169452 HF Annotated Mild Cn1nnnc1/N=C(\O)N1CCC2(CC1)C[C@@H](c1cccc(C(F)(F)F)c1)CO2 ZINC000073169454 HF Annotated Mild CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(C(F)(F)F)nc4)cc3OC[C@@H]12 ZINC000073169819 HF Annotated Anodyne O=C(Cn1cnc2sc3c(c2c1=O)CCC3)N/N=C/c1ccc(Cl)c(F)c1 ZINC000073195617 HF Annotated Reactive COc1cc(OC)cc(OCC[S@]2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c1 ZINC000073196110 HF Annotated Bother COc1cc(OC)cc(OCC[S@@]2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c1 ZINC000073196111 HF Annotated Bother O=C(COc1ccccc1Br)c1ccc(NCCN2CCOCC2)nc1 ZINC000073196347 HF Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)Nc3cc4c(c(OC)c32)OCO4)cc2c1OCO2 ZINC000073196841 HF Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)Nc3cc4c(c(OC)c32)OCO4)cc2c1OCO2 ZINC000073196842 HF Annotated Anodyne CN(CCCc1ccccc1)Cc1cn(C[C@H](O)COC(=O)c2ccccc2)nn1 ZINC000073197201 HF Annotated Anodyne CN(CCCc1ccccc1)Cc1cn(C[C@@H](O)COC(=O)c2ccccc2)nn1 ZINC000073197202 HF Annotated Anodyne O=C(CCl)Nc1ccc2c(c1NC(=O)c1ccno1)C(=O)c1ccccc1C2=O ZINC000073197270 HF Annotated Reactive O=C(N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)OCc1ccc(-c2ccc(F)nc2)cc1 ZINC000073197572 HF Annotated Bother CCCCn1c(Cc2cc(OC)c(OC)cc2S(=O)(=O)N(C)C)n[nH]c1=S ZINC000073197753 HF Annotated Anodyne COc1cc(Cc2n[nH]c(=S)n2C(C)(C)C)c(S(=O)(=O)N(C)C)cc1OC ZINC000073197754 HF Annotated Anodyne O=C(NCc1ccc(-c2ccc(F)cc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000073198087 HF Annotated Bother CCCCNc1nnc(Cc2cc(OC)c(OC)cc2S(=O)(=O)N(C)C)s1 ZINC000073198631 HF Annotated Anodyne Cc1cc(C)c2cc1C(=O)NCCCCCNC(=O)CCSc1cc-2nc(N)n1 ZINC000073219081 HF Annotated Anodyne COc1ccc(/C=C2\Oc3c(OC)c(OC)c(OC)c(O)c3C2=O)cc1[N+](=O)[O-] ZINC000073222309 HF Annotated Mild CCNc1nc(Nc2cc(Cl)ccc2C)nc(N2CCN(CCN(C)C)CC2)n1 ZINC000073222719 HF Annotated Anodyne O=C(COc1ccc(/C=C2/C(=O)NC(=O)N=C2O)cc1)Nc1ccc(F)c(F)c1 ZINC000073224344 HF Annotated Clean C[C@H]1COc2c(NCCCc3ccccc3)c(F)c(N)c3c(=O)c(C(N)=O)cn1c23 ZINC000073224573 HF Annotated Anodyne O=C(Nc1cc(-c2cc3c([nH]2)C2(CCNCC2)CNC3=O)ccn1)c1cccc(F)c1 ZINC000073224714 HF Annotated Anodyne CSc1ccc(-c2noc(CN3N=N[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]43)n2)cc1 ZINC000073224851 HF Annotated Anodyne O=[N+]([O-])c1ccc(/C=C/C=N/Nc2c([N+](=O)[O-])cc3[nH]c(O)nc3c2[N+](=O)[O-])o1 ZINC000073243018 HF Annotated Mild Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCc4cccc(CN)c4)c3)cc21 ZINC000073276623 HF Annotated Anodyne Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCc4ccc(CN)cc4)c3)cc21 ZINC000073276772 HF Annotated Anodyne CN1CC2=C(C(=O)c3ccccc3C2=O)[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000073312096 HF Annotated Mild CN1CC2=C(C(=O)c3ccccc3C2=O)[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000073312099 HF Annotated Mild CN(C(=O)C1=CCC2(CC1)OCCO2)c1ccccc1OS(=O)(=O)C(F)(F)F ZINC000073312787 HF Annotated Unstable CC1=C(C)C(=O)C(C2=C(C3=CC(=O)C(C)=C(C)C3=O)C(=O)C(C)=C(C)C2=O)=CC1=O ZINC000073372812 HF Annotated Mild O=C(Nc1ccccc1)N1CC[C@@]2(OCCN2S(=O)(=O)c2ccccc2)[C@H](F)C1 ZINC000073385892 HF Annotated Anodyne O=C(Nc1ccccc1)N1CC[C@]2(OCCN2S(=O)(=O)c2ccccc2)[C@H](F)C1 ZINC000073385894 HF Annotated Anodyne O=C(Nc1ccccc1)N1CC[C@@]2(OCCN2S(=O)(=O)c2ccccc2)[C@@H](F)C1 ZINC000073385895 HF Annotated Anodyne O=C(Nc1ccccc1)N1CC[C@]2(OCCN2S(=O)(=O)c2ccccc2)[C@@H](F)C1 ZINC000073385897 HF Annotated Anodyne COc1cc(OC)c(/C=C2\Oc3c(OC)c(OC)c(OC)c(O)c3C2=O)cc1N ZINC000073390870 HF Annotated Mild COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1ccc(Br)cc1 ZINC000007551137 HF Annotated Anodyne COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000007551138 HF Annotated Anodyne COc1ccc(N2CCN(C(=O)CSc3nnc(C4CC4)n3C3CC3)CC2)cc1 ZINC000007902553 HF Annotated Clean CN(C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12)C[C@H](O)c1ccc(O)cc1 ZINC000082051302 HF Annotated Anodyne CN(C[C@H](O)c1ccc(O)cc1)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@@H]21 ZINC000082051303 HF Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccccn5)CC4)[C@H]3[C@@H]3O[C@@]132 ZINC000082051327 HF Annotated Anodyne CCOC(=O)C1CCN(C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@@H]32)CC1 ZINC000082051833 HF Annotated Anodyne CCOC(=O)[C@@]1(C(F)(F)F)Nc2ccnn2C(N)=C1P(=O)(OCC)OCC ZINC000082053318 HF Annotated Anodyne CCOC(=O)[C@]1(C(F)(F)F)Nc2ccnn2C(N)=C1P(=O)(OCC)OCC ZINC000082053321 HF Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3OC)nc(N(C)CCO)n2)cc1 ZINC000082065776 HF Annotated Anodyne Cc1ccc(Oc2cncc(NCCOCCO)n2)c(-n2nc3ccccc3n2)c1 ZINC000082068477 HF Annotated Anodyne Cc1ccc(-c2nc(C(=O)NCc3ccc(C(=O)N4CCNCC4)cc3)co2)cc1 ZINC000082069799 HF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)N3CCNCC3)cc2)co1 ZINC000082069811 HF Annotated Anodyne CCc1nc(C(=O)N[C@H](C(=O)NCc2cccc(OC)c2OC)C(C)C)cs1 ZINC000082070022 HF Annotated Anodyne CCc1nc(C(=O)N[C@@H](C(=O)NCc2cccc(OC)c2OC)C(C)C)cs1 ZINC000082070023 HF Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](C(=O)OCCOCCN(C)C)C(C)C)co2)cc1 ZINC000082070296 HF Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](C(=O)OCCOCCN(C)C)C(C)C)co2)cc1 ZINC000082070297 HF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C(=O)OCCOCCN(C)C)C(C)C)co1 ZINC000082070320 HF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)OCCOCCN(C)C)C(C)C)co1 ZINC000082070321 HF Annotated Anodyne COc1cccc(CNC(=O)CNC(=O)c2csc(-c3ccccc3)n2)c1OC ZINC000082071885 HF Annotated Anodyne COc1cccc(CNC(=O)CNC(=O)c2coc(-c3ccc(C)cc3)n2)c1OC ZINC000082071935 HF Annotated Anodyne COc1cccc(CNC(=O)CNC(=O)c2coc(-c3ccccc3C)n2)c1OC ZINC000082071959 HF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)NCC(=O)OCC(C)(C)N(C)C)cs1 ZINC000082072382 HF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)NCC(=O)OCCCCN(C)C)cs1 ZINC000082072383 HF Annotated Anodyne CCCCOC(=O)COC(=O)CNC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082072385 HF Annotated Anodyne CCc1nc(C(=O)N2CCC[C@@H]2C(=O)NCc2cccc(OC)c2OC)cs1 ZINC000082072837 HF Annotated Anodyne CCc1nc(C(=O)N2CCC[C@H]2C(=O)NCc2cccc(OC)c2OC)cs1 ZINC000082072839 HF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)NCCCN2CCCC2)co1 ZINC000082073108 HF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)NCCCN2CCCC2)co1 ZINC000082073111 HF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)OCCN(C)C)cs1 ZINC000082073605 HF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)OCCN(C)C)cs1 ZINC000082073607 HF Annotated Anodyne C[C@@H]1CC[C@H]2[C@@](C)(COC=O)[C@@H](OC=O)CC[C@@]2(C)[C@]12CC[C@@]1(COC(=O)C1)O2 ZINC000082077781 HF Annotated Anodyne C[C@@H]1CC[C@@H]2[C@@](C)(COC=O)[C@@H](OC=O)CC[C@@]2(C)[C@]12CC[C@@]1(COC(=O)C1)O2 ZINC000082077784 HF Annotated Anodyne C[C@@H]1CC[C@H]2[C@@](C)(COC=O)[C@@H](OC=O)CC[C@@]2(C)[C@]12CC[C@]1(COC(=O)C1)O2 ZINC000082077786 HF Annotated Anodyne C[C@@H]1CC[C@@H]2[C@@](C)(COC=O)[C@@H](OC=O)CC[C@@]2(C)[C@]12CC[C@]1(COC(=O)C1)O2 ZINC000082077789 HF Annotated Anodyne CN(C)CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082081057 HF Annotated Anodyne CN(C)CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082081058 HF Annotated Anodyne O=C(NCc1ccc(C(=O)N2CCCNCC2)cc1)c1coc(-c2cccs2)n1 ZINC000082081844 HF Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCCCN1CCCC1 ZINC000082082370 HF Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCCCN1CCCC1 ZINC000082082371 HF Annotated Anodyne CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCN(C)C ZINC000082082481 HF Annotated Bother CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCN(C)C ZINC000082082484 HF Annotated Bother CCCCOCCCNC(=O)[C@@H](C)NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082082861 HF Annotated Anodyne CCCCOCCCNC(=O)[C@H](C)NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082082863 HF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C)C(=O)NCc3ccco3)cs2)c1 ZINC000082082959 HF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C)C(=O)NCc3ccco3)cs2)c1 ZINC000082082961 HF Annotated Anodyne COc1cccc(CNC(=O)[C@H](C)NC(=O)c2coc(-c3cccs3)n2)c1OC ZINC000082082991 HF Annotated Anodyne COc1cccc(CNC(=O)[C@@H](C)NC(=O)c2coc(-c3cccs3)n2)c1OC ZINC000082082992 HF Annotated Anodyne C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCc1ccco1 ZINC000082083041 HF Annotated Bother C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCc1ccco1 ZINC000082083042 HF Annotated Bother COc1cc(Nc2cc3c(cn2)nc(NC[C@@H]2CCCO2)n3C)cc(OC)c1OC ZINC000082083233 HF Annotated Anodyne COc1cc(Nc2cc3c(cn2)nc(NC[C@H]2CCCO2)n3C)cc(OC)c1OC ZINC000082083236 HF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C)C(=O)N3CCCCC3)cs2)c1 ZINC000082083367 HF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C)C(=O)N3CCCCC3)cs2)c1 ZINC000082083370 HF Annotated Anodyne C[C@H](/C(O)=N/CCN1CCOCC1)N1Cc2ccc(-c3cccc(F)c3)nc2C1=O ZINC000082083498 HF Annotated Mild Cc1cc(Nc2ccc3c(n2)C(=O)N([C@H](C)/C(O)=N/CCc2ccccn2)C3)n(C)n1 ZINC000082083526 HF Annotated Mild C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCC(C)(C)N(C)C ZINC000082083656 HF Annotated Bother C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCC(C)(C)N(C)C ZINC000082083661 HF Annotated Bother Cc1cc(Nc2ccc3c(n2)C(=O)N([C@H](C)/C(O)=N/Cc2cccnc2)C3)n(C)n1 ZINC000082083685 HF Annotated Mild C[C@H](/C(O)=N/Cc1ccc2c(c1)OCO2)N1Cc2ccc(-c3ccnn3C)nc2C1=O ZINC000082083749 HF Annotated Mild CCCCOCCOC(=O)[C@@H](C)NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082083759 HF Annotated Anodyne CCCCOCCOC(=O)[C@H](C)NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082083762 HF Annotated Anodyne CCC#CCOC(=O)[C@@H](C)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082083836 HF Annotated Mild CCC#CCOC(=O)[C@H](C)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082083838 HF Annotated Mild COc1ccc(/N=C(\O)C2(N3Cc4ccc(-c5ccnn5C)nc4C3=O)CC2)cn1 ZINC000082083897 HF Annotated Mild C[C@H](/C(O)=N/c1ccc2c(c1)OCO2)N1Cc2ccc(-c3ccnn3C)nc2C1=O ZINC000082083902 HF Annotated Mild COc1ccc(/N=C(\O)CN2Cc3ccc(Nc4cc(C)nn4C)nc3C2=O)cn1 ZINC000082083907 HF Annotated Mild C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCCCN(C)C ZINC000082083965 HF Annotated Bother C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCCCN(C)C ZINC000082083967 HF Annotated Bother CC(=O)NCSC[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)O ZINC000082084178 HF Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)O ZINC000082084179 HF Annotated Anodyne CCCCOCCCNC(=O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084750 HF Annotated Bother CCCCOCCCNC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084808 HF Annotated Bother CCCCOCCOC(=O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084931 HF Annotated Bother O=C(CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)OCCc1ccccn1 ZINC000082084932 HF Annotated Bother CCCCOCCOC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084980 HF Annotated Bother O=C(CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)OCCc1ccccn1 ZINC000082084981 HF Annotated Bother O=C(NCCCN1CCCC1)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085350 HF Annotated Anodyne O=C(NCCCN1CCCC1)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085351 HF Annotated Anodyne CCCCOC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085529 HF Annotated Anodyne CCCCOC(=O)COC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085530 HF Annotated Anodyne CN(CC(=O)NCc1ccco1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085612 HF Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)N(C)CC(=O)NCc3ccco3)cs2)c1 ZINC000082085648 HF Annotated Anodyne COc1cccc(CNC(=O)CN(C)C(=O)c2coc(-c3cccs3)n2)c1OC ZINC000082085658 HF Annotated Anodyne CN(CC(=O)OCC(C)(C)N(C)C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085770 HF Annotated Bother CN(C)CCCCOC(=O)CN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085771 HF Annotated Bother CCCCOCCOC(=O)CN(C)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085787 HF Annotated Anodyne CCC#CCOC(=O)CN(C)C(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082085803 HF Annotated Mild CN(CC(=O)OCC(C)(C)N(C)C)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085829 HF Annotated Bother CN(C)CCCCOC(=O)CN(C)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085830 HF Annotated Bother CCCCOCCOC(=O)CNC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082089341 HF Annotated Anodyne CN(CC(=O)NCc1ccco1)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082089350 HF Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)N(C)CC(=O)N3CCCCC3)cs2)c1 ZINC000082094126 HF Annotated Anodyne C/C(O)=N\[C@H](C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC[C@@]3(O)[C@]12C)C(C)C ZINC000082123178 HF Annotated Anodyne C/C(O)=N\[C@@H](C(=O)O[C@H]1CCC(C)(C)[C@@H]2CC=C3C(=O)OC[C@@]3(O)[C@]12C)C(C)C ZINC000082123179 HF Annotated Anodyne COc1cc2nc(NC[C@H](O)CO)nc(NC[C@H](C)c3ccccc3)c2cc1OC ZINC000082126689 HF Annotated Anodyne COc1cc2nc(NC[C@H](O)CO)nc(NC[C@@H](C)c3ccccc3)c2cc1OC ZINC000082126692 HF Annotated Anodyne COc1cc2nc(NC[C@@H](O)CO)nc(NC[C@H](C)c3ccccc3)c2cc1OC ZINC000082126694 HF Annotated Anodyne COc1cc2nc(NC[C@@H](O)CO)nc(NC[C@@H](C)c3ccccc3)c2cc1OC ZINC000082126696 HF Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2ccccc2)CC1 ZINC000082133125 HF Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2)C1 ZINC000082133321 HF Annotated Anodyne C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2)C1 ZINC000082133322 HF Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2)C1 ZINC000082133323 HF Annotated Anodyne CC1CCN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2)CC1 ZINC000082133342 HF Annotated Anodyne CC1CCN(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccccc2)CC1 ZINC000082133343 HF Annotated Anodyne CC1CCN(c2ncc(C(=O)N3CCOCC3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082134762 HF Annotated Bother N#CCCN(CCC#N)C(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135266 HF Annotated Mild CCN(C)c1ncc(C(=O)N(CCC#N)CCC#N)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135411 HF Annotated Mild CC1CCN(C(=O)c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000082135705 HF Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N(C)CC(C)C)c(-c3ccc(F)cc3)n2)CC1 ZINC000082139292 HF Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccc(F)cc2)CC1 ZINC000082140375 HF Annotated Anodyne NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCCCC3)c(-c3ccc(F)cc3)n2)C1 ZINC000082140725 HF Annotated Anodyne NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCCCC3)c(-c3ccc(F)cc3)n2)C1 ZINC000082140728 HF Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc(F)cc2)n1 ZINC000082141053 HF Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc(F)cc2)n1 ZINC000082141055 HF Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc(F)cc2)n1 ZINC000082141058 HF Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 ZINC000082141433 HF Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(F)cc1 ZINC000082141435 HF Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 ZINC000082141436 HF Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccco3)n2)CC1 ZINC000082141859 HF Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccco3)n2)CC1 ZINC000082141861 HF Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccco3)n2)CC1 ZINC000082141863 HF Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccco3)n2)CC1 ZINC000082141865 HF Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccco1 ZINC000082141883 HF Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccco1 ZINC000082141884 HF Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccco1 ZINC000082141885 HF Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccco1 ZINC000082141886 HF Annotated Anodyne NC(=O)[C@H]1CCCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccco3)n2)C1 ZINC000082141960 HF Annotated Anodyne NC(=O)[C@@H]1CCCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccco3)n2)C1 ZINC000082141962 HF Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccco3)n2)CC1 ZINC000082142430 HF Annotated Anodyne CN(C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccco1)C1CCCCC1 ZINC000082142438 HF Annotated Anodyne CN(C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccco1)C1CCCCC1 ZINC000082142440 HF Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2CCCC2)nc1-c1ccco1 ZINC000082142459 HF Annotated Anodyne CCN(C)c1ncc(C(=O)N2CCCC2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082144028 HF Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N(C)CC(C)C)c(-c3cccc(C)c3)n2)CC1 ZINC000082145222 HF Annotated Anodyne Cc1cccc(-c2nc(N3CCOCC3)ncc2C(=O)N(CCC#N)CCC#N)c1 ZINC000082145814 HF Annotated Mild Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N2CCCCC2)c1 ZINC000082146380 HF Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C(=O)N2CCCCC2)c1 ZINC000082146383 HF Annotated Anodyne COCCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082147673 HF Annotated Bother CC1CCN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082147973 HF Annotated Bother N#CCCN(CCC#N)C(=O)c1cnc(N2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148661 HF Annotated Mild CN(C(=O)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000082149426 HF Annotated Bother CC1CCN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000082149732 HF Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N(C)CC(C)C)c(-c3ccccc3F)n2)CC1 ZINC000082150878 HF Annotated Anodyne NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCCCC3)c(-c3ccccc3F)n2)C1 ZINC000082152257 HF Annotated Anodyne NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCCCC3)c(-c3ccccc3F)n2)C1 ZINC000082152260 HF Annotated Anodyne CN(C(=O)N(C)[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000082152352 HF Annotated Bother O=C(O)[C@H]1NCCN(C(=O)c2ccc3cc(Cl)c4ccccc4c3c2)[C@H]1C(=O)O ZINC000082152406 HF Annotated Bother CC(=O)NCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1F ZINC000082153043 HF Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1F ZINC000082153044 HF Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1F ZINC000082153046 HF Annotated Anodyne CCOC(=O)/C(CCCC(=O)O)=N\Nc1ccc(I)cc1 ZINC000082153116 HF Annotated Mild O=C1N=C(NC2CCCCC2)N/C1=C1/CCNC(=O)c2[nH]c(-c3ccccc3)cc21 ZINC000082153806 HF Annotated Anodyne O=C1C=CC(O)(c2cc3ccccc3n2S(=O)(=O)c2ccc(CCCO)cc2)C=C1 ZINC000082154995 HF Annotated Mild C[C@@H]1CCC[C@@H]2O[C@H]2/C=C/[C@H](O)C[C@@H](O)C/C=C\C=C\[C@@H](O)C/C=C/C=C\C(=O)O1 ZINC000082156359 HF Annotated Anodyne C[C@@H]1CCC/C=C/[C@@H]2O[C@@H](C/C=C\C=C\[C@@H](O)C/C=C/C=C\C(=O)O1)C[C@@H](O)[C@H]2O ZINC000082156360 HF Annotated Anodyne CN(Cc1cn(C[C@H](O)COC(=O)NCc2ccccc2)nn1)CC1CCCCC1 ZINC000082156390 HF Annotated Anodyne CN(Cc1cn(C[C@@H](O)COC(=O)NCc2ccccc2)nn1)CC1CCCCC1 ZINC000082156392 HF Annotated Anodyne C[C@@H]1CCC/C=C/[C@@H]2O[C@H](C[C@@H](O)C/C=C\C=C\[C@@H](O)C/C=C/C=C\C(=O)O1)[C@H]2O ZINC000082156791 HF Annotated Anodyne O=C(COc1ccc(-c2ccc(F)cc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000082157192 HF Annotated Bother CC(=O)NCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000082158616 HF Annotated Mild CC(=O)NCCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000082158812 HF Annotated Mild CC(=O)NCCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000082158813 HF Annotated Mild CC(=O)NCCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000082158814 HF Annotated Mild COCCCNc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccc(C#N)cc2)n1 ZINC000082159456 HF Annotated Mild CC(=O)NCCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccccc2F)n1 ZINC000082160032 HF Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc(C)c1 ZINC000082160115 HF Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc(C)c1 ZINC000082160116 HF Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc(C)c1 ZINC000082160117 HF Annotated Anodyne Cc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)o1 ZINC000082163655 HF Annotated Bother Cc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)o1 ZINC000082163656 HF Annotated Bother COc1cc(-c2nc(N3CCOCC3)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082167021 HF Annotated Anodyne CC(=O)N1CCN(c2ncc(-c3ncc(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082174506 HF Annotated Bother CC(=O)N1CCN(c2ncc(-c3nc(C)c(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082174507 HF Annotated Bother Cc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000082174548 HF Annotated Bother Cc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000082174550 HF Annotated Bother CC(=O)NCCn1c(-c2cccnc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180720 HF Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(O)c(OC)c1)n2CCNC(C)=O ZINC000082186205 HF Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000082193459 HF Annotated Bother O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000082193462 HF Annotated Bother O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000082193467 HF Annotated Bother O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000082193469 HF Annotated Bother COc1cc(-c2csc(NCC(=O)NC[C@@H]3CCCO3)n2)cc(OC)c1OC ZINC000082193674 HF Annotated Anodyne COc1cc(-c2csc(NCC(=O)NC[C@H]3CCCO3)n2)cc(OC)c1OC ZINC000082193678 HF Annotated Anodyne N#Cc1ccc(-c2csc(N[C@@H](Cc3c[nH]cn3)C(=O)NC[C@@H]3CCCO3)n2)cc1 ZINC000082193823 HF Annotated Mild N#Cc1ccc(-c2csc(N[C@@H](Cc3c[nH]cn3)C(=O)NC[C@H]3CCCO3)n2)cc1 ZINC000082193826 HF Annotated Mild O=C(NC[C@@H]1CCCO1)[C@H](Cc1c[nH]cn1)Nc1nc(-c2ccc(O)cc2)cs1 ZINC000082193829 HF Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@H](Cc1c[nH]cn1)Nc1nc(-c2ccc(O)cc2)cs1 ZINC000082193831 HF Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@@H](O)CN1c1nc(-c2cc3ccccc3o2)cs1 ZINC000082194943 HF Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](O)CN1c1nc(-c2cc3ccccc3o2)cs1 ZINC000082194945 HF Annotated Anodyne COCCCNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(OC)c([N+](=O)[O-])c2)cs1 ZINC000082195430 HF Annotated Bother COCCCNC(=O)[C@H](CCSC)Nc1nc(-c2cc(O)cc(O)c2)cs1 ZINC000082195474 HF Annotated Anodyne COCCCNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(OC)cc2OC)cs1 ZINC000082195547 HF Annotated Anodyne COCCCNC(=O)[C@@H]1CCCN1c1nc(-c2cc(OC)ccc2OC)cs1 ZINC000082195548 HF Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccc(Cl)s2)cs1 ZINC000082195831 HF Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](O)CN1c1nc(-c2ccc(Cl)s2)cs1 ZINC000082195832 HF Annotated Anodyne COc1ccccc1C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 ZINC000082195997 HF Annotated Anodyne COc1ccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(-c3ccco3)nn4C)C2)cc1 ZINC000082196054 HF Annotated Anodyne Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)COCc1ccccc1)CC3 ZINC000082196062 HF Annotated Anodyne Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccc(C#N)cc1)CC3 ZINC000082196121 HF Annotated Mild Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1cccc(C#N)c1)CC3 ZINC000082196123 HF Annotated Mild COc1cccc(CC(=O)N2CCc3c(c(=O)[nH]c4c3c(-c3ccco3)nn4C)C2)c1 ZINC000082196184 HF Annotated Anodyne Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccc(F)cc1F)CC3 ZINC000082196240 HF Annotated Anodyne Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1c(F)cccc1F)CC3 ZINC000082196242 HF Annotated Anodyne CCOC(=O)CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 ZINC000082196307 HF Annotated Anodyne Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1cc(F)cc(F)c1)CC3 ZINC000082196315 HF Annotated Anodyne Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1cccc(F)c1F)CC3 ZINC000082196321 HF Annotated Anodyne CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(CCCOC)nn3CC(F)(F)F)C1 ZINC000082196324 HF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCO)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199004 HF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCO)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199005 HF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCO)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199006 HF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCC#N)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199071 HF Annotated Mild CO[C@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCN(c4ncccn4)CC3)ncc2C)C1 ZINC000082204143 HF Annotated Anodyne CO[C@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCN(c4ncccn4)CC3)ncc2C)C1 ZINC000082204146 HF Annotated Anodyne CO[C@@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCN(c4ncccn4)CC3)ncc2C)C1 ZINC000082204148 HF Annotated Anodyne CO[C@@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCN(c4ncccn4)CC3)ncc2C)C1 ZINC000082204151 HF Annotated Anodyne COC1CCC([C@H](C)Nc2nc(N3CCN(c4ncccn4)CC3)ncc2C)CC1 ZINC000082204153 HF Annotated Anodyne Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NCCCN(C)c1ccccc1 ZINC000082204159 HF Annotated Anodyne CCOc1ccc(CCNc2nc(N3CCN(c4ncccn4)CC3)ncc2C)cc1 ZINC000082204161 HF Annotated Anodyne COC[C@H](Cc1ccccc1)Nc1nc(N2CCN(c3ncccn3)CC2)ncc1C ZINC000082204400 HF Annotated Anodyne Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NCc1ccc(N(C)C)cc1 ZINC000082204402 HF Annotated Clean O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)CCN2 ZINC000082204543 HF Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccc(F)cc1)CCN2 ZINC000082204568 HF Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)CCN2 ZINC000082204878 HF Annotated Anodyne C=CCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204885 HF Annotated Mild C=CCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204888 HF Annotated Mild C=CCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204896 HF Annotated Mild C=CCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204898 HF Annotated Mild CCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205029 HF Annotated Anodyne CC(C)n1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205100 HF Annotated Anodyne COCCn1c(=O)c(NCc2ccoc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082205159 HF Annotated Anodyne COCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205166 HF Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CCOC)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205175 HF Annotated Anodyne COCCn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205180 HF Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205235 HF Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205237 HF Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205352 HF Annotated Mild O=C(Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)C[C@H](Cc1ccccc1)N2)C1CC1 ZINC000082205439 HF Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205440 HF Annotated Mild O=C(Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)C[C@H](Cc1ccccc1)N2)C1CC1 ZINC000082205461 HF Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205531 HF Annotated Anodyne CC(C)n1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205598 HF Annotated Anodyne COCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205686 HF Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccncc1)[C@@H]1CCCC[C@H]1N2 ZINC000082205739 HF Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccncc1)[C@@H]1CCCC[C@H]1N2 ZINC000082205742 HF Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccncc1)[C@@H]1CCCC[C@H]1N2 ZINC000082205746 HF Annotated Anodyne CCCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205836 HF Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)[C@@H]2CCCC[C@H]2N3)cc1 ZINC000082205882 HF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H]1CCCC[C@H]1N2)c1ccccc1 ZINC000082205994 HF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H]1CCCC[C@H]1N2)c1ccco1 ZINC000082206055 HF Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206241 HF Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206242 HF Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@@H](C(C)C)N2 ZINC000082206852 HF Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](C(C)C)N2 ZINC000082206854 HF Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206883 HF Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206885 HF Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082207615 HF Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082207620 HF Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082207628 HF Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082207630 HF Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)C3CC3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082208116 HF Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)C3CC3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082208118 HF Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@@H](CC)N2 ZINC000082208121 HF Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](CC)N2 ZINC000082208124 HF Annotated Mild CCC(CC)CNc1c2n(c(=O)n(CC(=O)OC)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082208222 HF Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082208306 HF Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082208309 HF Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)C3CC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082208385 HF Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)C3CC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082208387 HF Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208399 HF Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208401 HF Annotated Anodyne C=CCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208448 HF Annotated Mild C=CCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208450 HF Annotated Mild C=CCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208473 HF Annotated Mild C=CCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208475 HF Annotated Mild COC(=O)Cn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082208967 HF Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccncc1)[C@H](c1ccccc1)CN2 ZINC000082209055 HF Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccncc1)[C@@H](c1ccccc1)CN2 ZINC000082209058 HF Annotated Anodyne C=CCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209178 HF Annotated Mild Cc1ncsc1CCn1c(=O)c(NCC2CC2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209333 HF Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCC2CC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209335 HF Annotated Anodyne CCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209696 HF Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209809 HF Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209811 HF Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209998 HF Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210000 HF Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210170 HF Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210171 HF Annotated Mild O=C(Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@H](c1ccccc1)CN2)C1CC1 ZINC000082210211 HF Annotated Anodyne O=C(Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@@H](c1ccccc1)CN2)C1CC1 ZINC000082210216 HF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](c1ccccc1)CN2)C1CC1 ZINC000082210698 HF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](c1ccccc1)CN2)C1CC1 ZINC000082210701 HF Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210703 HF Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210707 HF Annotated Mild CCCn1c(=O)c(NC(=O)CCOCC)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082210818 HF Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@H](C)CN2 ZINC000082210890 HF Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccsc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082210894 HF Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@H](C)CN2 ZINC000082210903 HF Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@@H](C)CN2 ZINC000082210906 HF Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(C(C)C)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082210978 HF Annotated Anodyne C[C@@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082211332 HF Annotated Anodyne C[C@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082211334 HF Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)[C@H](C)CN3)c1 ZINC000082211480 HF Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)[C@@H](C)CN3)c1 ZINC000082211481 HF Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@H](C)CN2 ZINC000082211651 HF Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211653 HF Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(C(=O)O)c3)c(=O)n(CC3CCCCC3)c(=O)n21 ZINC000082211803 HF Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(C(=O)O)c3)c(=O)n(CC3CCCCC3)c(=O)n21 ZINC000082211806 HF Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082212009 HF Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@H](C)CN2 ZINC000082212309 HF Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H](C)CN2 ZINC000082212311 HF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](CC1CCCCC1)N2)C1CC1 ZINC000082212478 HF Annotated Anodyne C[C@@H]1CNc2c(NC(=O)C3CC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082212621 HF Annotated Anodyne C[C@H]1CNc2c(NC(=O)C3CC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082212625 HF Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@H](C)CN2 ZINC000082212628 HF Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H](C)CN2 ZINC000082212630 HF Annotated Mild COc1cccc(CNc2nc(N3CCN(c4ncccn4)CC3)ncc2C)c1OC ZINC000082213008 HF Annotated Anodyne COc1cc(CNc2nc(N3CCN(c4ncccn4)CC3)ncc2C)cc(OC)c1 ZINC000082213009 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082213137 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082213138 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082213139 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000082213140 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000082213328 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)CO ZINC000082213329 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000082213330 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](C)CO ZINC000082213331 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCO ZINC000082213540 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCO ZINC000082213541 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCO ZINC000082213542 HF Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000082217249 HF Annotated Mild CC[C@H](C)Nc1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000082217251 HF Annotated Mild CSCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000082220079 HF Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000082220083 HF Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000082220086 HF Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 ZINC000082220089 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082220547 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@@H](C)O ZINC000082220549 HF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@@H](C)O ZINC000082220550 HF Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1cccc3ccccc13)CCN2 ZINC000082224060 HF Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1cccc3ccccc13)CCN2 ZINC000082224063 HF Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)CCN2)c1ccco1 ZINC000082224110 HF Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082224292 HF Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082224295 HF Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082224302 HF Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082224304 HF Annotated Anodyne C=CCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082224337 HF Annotated Mild CCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082224394 HF Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082228026 HF Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccccc2F)n1 ZINC000082230040 HF Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccccc2F)n1 ZINC000082230041 HF Annotated Anodyne CC1=C[C@@H]2[C@@H]([C@H](O)[C@@H](C)[C@@H]2O)[C@@H]2[C@@H]1C[C@@H]1[C@@H]2C2=C3O[C@]1(C)CC[C@@H](OC2=O)[C@H]3C ZINC000083921277 HF Annotated Anodyne in-vitro CC1=C[C@H]2[C@@H]([C@H](O)[C@@H](C)[C@@H]2O)[C@@H]2[C@@H]1C[C@@H]1[C@@H]2C2=C3O[C@]1(C)CC[C@@H](OC2=O)[C@H]3C ZINC000083921278 HF Annotated Anodyne in-vitro COC1=C(C)C(=O)c2c(cc(O)c3c2O[C@H](C)[C@@]3(C)[C@H](O)C/C=C(\C)C(=O)O)C1=O ZINC000083923625 HF Annotated Mild in-vitro COC1=C(C)C(=O)c2c(cc(O)c3c2O[C@@H](C)[C@@]3(C)[C@H](O)C/C=C(\C)C(=O)O)C1=O ZINC000083923627 HF Annotated Mild in-vitro COC1=C(C)C(=O)c2c(cc(O)c3c2O[C@H](C)[C@]3(C)[C@H](O)C/C=C(\C)C(=O)O)C1=O ZINC000083923629 HF Annotated Mild in-vitro COC1=C(C)C(=O)c2c(cc(O)c3c2O[C@@H](C)[C@]3(C)[C@H](O)C/C=C(\C)C(=O)O)C1=O ZINC000083923631 HF Annotated Mild in-vitro COc1cc([C@H]2OC[C@@H]3[C@@H](c4cc(OC)c(O)c(OC)c4)OC[C@H]23)cc(CO)c1O ZINC000084153869 HF Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1[C@@H](/C=C/c2ccccc2)O[C@H](C[C@H]2CC=CC(=O)O2)C[C@H]1OC(C)=O ZINC000084154387 HF Annotated Anodyne in-vitro biogenic CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCNC(=O)C2)c(Cl)c1 ZINC000084475335 HF Annotated Anodyne CC1=NN(c2nc(N)nc(/C(C#N)=C\[C@H]3COc4ccccc4C3=O)n2)C(C)(C)C1 ZINC000084574518 HF Annotated Reactive CCn1c(Cn2nc(Cc3ccc(OC)cc3)c3onc(C)c3c2=O)n[nH]c1=S ZINC000084586948 HF Annotated Anodyne CCOC(=O)C1=C[C@H]2C(=O)c3cccnc3C(=O)[C@@H]2C(c2ccc(N(C)C)cc2)=N1 ZINC000084587408 HF Annotated Anodyne CCOC(=O)C1=C[C@@H]2C(=O)c3cccnc3C(=O)[C@@H]2C(c2ccc(N(C)C)cc2)=N1 ZINC000084587412 HF Annotated Anodyne CCOC(=O)C1=C[C@@H]2C(=O)c3cccnc3C(=O)[C@H]2C(c2ccc(N(C)C)cc2)=N1 ZINC000084587416 HF Annotated Anodyne Cc1c(Cn2c(C)nn3c(=O)cc(N4CCO[C@H](C)C4)nc23)cccc1C(F)(F)F ZINC000084596609 HF Annotated Anodyne Cc1c(Cn2c(C)nn3c(=O)cc(N4CCO[C@@H](C)C4)nc23)cccc1C(F)(F)F ZINC000084596610 HF Annotated Anodyne CC(C)(NC(=O)c1cc2c(n(CC3CCCCC3)c1=O)CCCCCC2)C(=O)NN ZINC000084596624 HF Annotated Reactive CCc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12 ZINC000084596649 HF Annotated Anodyne CCNc1nnc(Cn2nc(Cc3ccc(OC)cc3)c3onc(C)c3c2=O)s1 ZINC000084596849 HF Annotated Anodyne COc1ccc(CS(=O)(=O)/C=C/c2c(OC)cc(O)cc2OC)cc1[N+](=O)[O-] ZINC000084597131 HF Annotated Bother CN(C)C=NC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)N=CN(C)C ZINC000084597532 HF Annotated Anodyne COCCNC(=O)c1c(NC(=O)C23C[C@@H]4CC2C[C@@H](C4)C3)sc2c1CCOC2 ZINC000084604307 HF Annotated Anodyne CC(C)(C)C(=O)OCOP(=O)(CCCC(=O)NO)OCOC(=O)C(C)(C)C ZINC000084604608 HF Annotated Bother CC(=O)c1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)O)n2Cc1ccnc(N)c1 ZINC000084614527 HF Annotated Anodyne CC[C@@]12CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CCN([C@H](CC(C)=O)[C@@H]3O[C@@H]31)[C@@H]24 ZINC000084614904 HF Annotated Anodyne NCc1ccc(NC(=O)c2c(O)ccc[n+]2Cc2nccn2Cc2ccccc2)cc1 ZINC000084615633 HF Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2[C@H](CC(C)=O)C=C[C@@]([C@@H](C)O)(C1)[C@H]23 ZINC000084616141 HF Annotated Anodyne COc1cc(-c2cn([C@@H]3C[C@H](C(F)(F)F)CNC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084616248 HF Annotated Anodyne COc1cc(-c2cn([C@H]3C[C@H](C(F)(F)F)CNC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084616250 HF Annotated Anodyne COc1cc(-c2cn([C@@H]3C[C@@H](C(F)(F)F)CNC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084616251 HF Annotated Anodyne COc1cc(-c2cn([C@H]3C[C@@H](C(F)(F)F)CNC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084616252 HF Annotated Anodyne COCCn1c2c(cc(C(=O)NC3(C(=O)O)CCCCC3)c1=O)CCCCCC2 ZINC000084616293 HF Annotated Anodyne CCOc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12 ZINC000084616889 HF Annotated Anodyne O=C(Cc1ccccn1)N1CCc2nc(-c3cc4cc(F)ccc4[nH]c3=O)[nH]c2C1 ZINC000084617174 HF Annotated Anodyne O=C(Cc1ccncc1)N1CCc2nc(-c3cc4cc(F)ccc4[nH]c3=O)[nH]c2C1 ZINC000084617178 HF Annotated Anodyne CC(C)c1ccc(NC(=O)c2cccc(=O)[nH]2)c(N2CCN(c3cnccn3)CC2)c1 ZINC000084619908 HF Annotated Anodyne O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)N1CCC(F)(F)CC1 ZINC000084620070 HF Annotated Anodyne O=C(Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCS3)N1CCC(F)(F)CC1 ZINC000084632335 HF Annotated Anodyne CC(C)c1ccc(NC(=O)c2ccc[nH]c2=O)c(N2CCN(c3cnccn3)CC2)c1 ZINC000084632674 HF Annotated Anodyne CC(C)c1ccc(NC(=O)c2ccnnc2)c(N2CCN(c3cnccn3)CC2)c1 ZINC000084633894 HF Annotated Anodyne Cc1nc(N)ncc1-c1cc(Nc2cnc3ccccc3c2)nc(N2CCOCC2)n1 ZINC000084634944 HF Annotated Anodyne c1ccc([C@@H]2CN(c3nnc(N4CCC(N5CCCCC5)CC4)s3)CCO2)nc1 ZINC000084651874 HF Annotated Anodyne c1ccc([C@H]2CN(c3nnc(N4CCC(N5CCCCC5)CC4)s3)CCO2)nc1 ZINC000084651875 HF Annotated Anodyne Cc1ccc(NC(=O)C2CC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O ZINC000084652296 HF Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(C)nn3c2)c1F ZINC000084653267 HF Annotated Anodyne O=P(O)(O)C(Nc1cc(-c2ccc(OC3CCC3)cc2)ccn1)P(=O)(O)O ZINC000084653274 HF Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(CC)nn3c2)c1F ZINC000084653648 HF Annotated Anodyne CC[C@]1(OC)CC[C@@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3=O)[C@H](C(=O)OC)C[C@@]42CN(C)C1 ZINC000084654439 HF Annotated Mild CC[C@]1(OC)CC[C@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3=O)[C@H](C(=O)OC)C[C@@]42CN(C)C1 ZINC000084654440 HF Annotated Mild CC[C@@]1(OC)CC[C@@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3=O)[C@H](C(=O)OC)C[C@@]42CN(C)C1 ZINC000084654442 HF Annotated Mild CC[C@@]1(OC)CC[C@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3=O)[C@H](C(=O)OC)C[C@@]42CN(C)C1 ZINC000084654444 HF Annotated Mild CC[C@]1(OC)CC[C@@]2(CO1)[C@@H]1CCC3=C4[C@@H](CC3=O)[C@H](C(=O)OC)C[C@@]42CN(C)C1 ZINC000084654447 HF Annotated Mild CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)c2cccc3c(N)ncnc23)c1F ZINC000084655472 HF Annotated Anodyne CC(C)Oc1ccc(-c2ccnc(NC(P(=O)(O)O)P(=O)(O)O)c2)cc1 ZINC000084668835 HF Annotated Anodyne COc1ccc2c(CS(=O)(=O)c3nc4ccccc4o3)cc(=O)oc2c1OC ZINC000084670141 HF Annotated Anodyne COc1ccc2c(CS(=O)(=O)c3nc4ccccc4[nH]3)cc(=O)oc2c1OC ZINC000084670142 HF Annotated Anodyne Nc1nc(OC2CCC(C(F)(F)F)CC2)nc2c1c(=O)ccn2[C@H]1CCC[C@@H]1O ZINC000084671080 HF Annotated Anodyne COC(=O)[C@@H]1C[C@@]23CN(C)C[C@@H](CCC4=C2[C@H]1CC4=O)[C@]31CC[C@@](O)(C(C)C)OC1 ZINC000084671414 HF Annotated Mild COC(=O)[C@@H]1C[C@@]23CN(C)C[C@@H](CCC4=C2[C@H]1CC4=O)[C@@]31CC[C@@](O)(C(C)C)OC1 ZINC000084671415 HF Annotated Mild N#C[C@@H]1C[C@H]1CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000084672236 HF Annotated Mild O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2ccc(CN3CCOCC3)cc2)s1 ZINC000084672268 HF Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2ccc(CN3CCOCC3)cc2)s1 ZINC000084672269 HF Annotated Anodyne N#CC1(CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000084689200 HF Annotated Mild C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(OCc2ccncc2C#N)cn1 ZINC000084689600 HF Annotated Mild CCOC(=O)c1c2c(n3cc(F)ccc13)C(=O)c1cc(C(=O)OC)sc1C2=O ZINC000084690215 HF Annotated Clean N#CCCCN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000084709576 HF Annotated Mild N#C[C@H]1C[C@@H]1CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000084709581 HF Annotated Mild CCOC(=O)c1c2c(n3ccc(OC)cc13)C(=O)c1cc(C(=O)OC)sc1C2=O ZINC000084711339 HF Annotated Clean CCOC(=O)c1c2c(n3ccc(C#N)cc13)C(=O)c1cc(C(=O)OC)sc1C2=O ZINC000084712210 HF Annotated Mild CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)Nc2cc(NC)ncn2)c1F ZINC000084712314 HF Annotated Anodyne O=C(O)[C@@H]1CSc2c(-c3cccnc3)c(Cc3ccc4c(c3)OCO4)cc(=O)n21 ZINC000084712854 HF Annotated Anodyne COc1ccccc1NC(=O)COc1cc2oc(=O)c(NC(C)=O)cc2cc1OC ZINC000084726700 HF Annotated Anodyne CCOCn1c(Cc2cc(C)cc(C)c2)c(I)c(N)nc1=O ZINC000084726990 HF Annotated Anodyne CC(=N)c1nnc2c(/N=N/c3c(C)n(C)n(-c4ccccc4)c3=O)c(C)nn2c1N ZINC000084731037 HF Annotated Clean CC(=O)C(=NNc1n[nH]c(C)c1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O)C(C)=O ZINC000084731748 HF Annotated Mild COc1nc(=O)c2sc(N3CCOCC3)nc2n1Cc1cccc(Cl)c1C ZINC000084741850 HF Annotated Anodyne Cc1nn2c(nnc3c(C)n[nH]c32)c1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000084742646 HF Annotated Clean CC(C)C[C@H]1CN(c2ccc(OC(F)F)c(C(=O)c3cccnc3N)n2)CCN1 ZINC000084758748 HF Annotated Anodyne C/C(O)=N/S(=O)(=O)c1ccc(N2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)cc1 ZINC000084758808 HF Annotated Mild COC1=C[C@@]23CCN(C(C)=O)[C@@H](CCc4cc(OC)c(OC)c(OC)c42)C3=CC1=O ZINC000084759585 HF Annotated Mild CC1(C)CC(O)=C(C(=O)CCCN2C(=O)c3ccccc3C2=O)/C(=N/CC(=O)O)C1 ZINC000008542793 HF Annotated Mild Cc1cc(C)c2cc(CN(CCO)Cc3nnnn3Cc3ccccc3)c(O)nc2c1 ZINC000008579474 HF Annotated Anodyne COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCc2ccccc21 ZINC000008581708 HF Annotated Anodyne COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCc2ccccc21 ZINC000008581709 HF Annotated Anodyne O=C(Cn1cnc2c(nc3n2CCCCC3)c1=O)Nc1cccc(C(F)(F)F)c1 ZINC000008591345 HF Annotated Anodyne O=C(Nc1ccc(F)cc1F)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 ZINC000008598189 HF Annotated Anodyne O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 ZINC000008598190 HF Annotated Anodyne COc1ccc(CNC(=O)CN2C(=O)CCn3nc(-c4ccccc4)cc32)c(OC)c1 ZINC000008598873 HF Annotated Anodyne COCCCNC(=O)CCCN1C(=O)CCn2nc(-c3cn(C)c4ccccc34)cc21 ZINC000008609320 HF Annotated Anodyne CCn1ccc2cc(S(=O)(=O)N3CCCN(C(=O)NCC(C)C)CC3)ccc21 ZINC000008609383 HF Annotated Anodyne O=C(CSCn1nnc2c(O)nc(Cc3ccc(F)cc3)nc21)Nc1ccccc1 ZINC000008612578 HF Annotated Anodyne COc1cc(OC)c(NC(=O)C2=C(C)C(=O)OC23CCN(C(C)=O)CC3)cc1Cl ZINC000008619061 HF Annotated Anodyne Cc1ccc(-c2ccc(/C=N\NC3=NC(=O)[C@@H](CC(=O)O)S3)o2)c([N+](=O)[O-])c1 ZINC000008671518 HF Annotated Mild CCOc1cccc(SCc2noc(C(=O)NC[C@H]3CCCO3)c2C(=O)O)c1 ZINC000008672428 HF Annotated Anodyne Cc1ccc(COCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CCC2=O)cc1 ZINC000008680233 HF Annotated Anodyne CCC(=O)N1CCN(CC/N=C/C2=C(O)C[C@@H](c3ccc(OC)cc3)CC2=O)CC1 ZINC000008683584 HF Annotated Mild CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000008685188 HF Annotated Bother CCOc1cccc(SCc2noc(C(=O)NC[C@@H]3CCCO3)c2C(=O)O)c1 ZINC000008691346 HF Annotated Anodyne COc1ccccc1Nc1ncnc2sc(C)c(S(=O)(=O)N3CCOCC3)c12 ZINC000008766777 HF Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cc3c(cc1Br)OCO3)[C@H]1C=C[C@@H]2C12CC2 ZINC000008856283 HF Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3cccs3)C(=O)C2=CO1 ZINC000008860688 HF Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3cccs3)C(=O)C2=CO1 ZINC000008860689 HF Annotated Mild CCC(=O)O[C@]1(C)C(=O)C=C2C=C(CCCNC(=O)OC(C)(C)C)OC=C2C1=O ZINC000008860710 HF Annotated Mild CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(CCCNC(=O)OC(C)(C)C)OC=C2C1=O ZINC000008860711 HF Annotated Mild CCOC(=O)C1=C(O)/C(=C\c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)N=C1C ZINC000008994051 HF Annotated Anodyne CCCC[C@H](N)CCCCCC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510301 HF Annotated Mild in-vitro biogenic CCCC[C@H](O)CCCCCC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510337 HF Annotated Mild in-vitro biogenic CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@@H](OC(=O)CC(C)C)[C@@]21CO1 ZINC000085541546 HF Annotated Anodyne in-vitro biogenic CC1(C)O[C@@]2([C@H]3C[C@@H](CO)C[C@H](Cc4ccc(N)nc4)C3)CC[C@@H]1[C@](N)(CCO)C2 ZINC000085543182 HF Annotated Anodyne in-vitro biogenic CC(=O)N[C@H](C(=O)O[C@H](/C=C/C=C\C=C\C(=O)O)[C@]1(C)CO1)[C@@H](C)c1ccccc1 ZINC000085543722 HF Annotated Anodyne in-man endogenous C=C1[C@H]2[C@@H](CO)C[C@@](C(=O)CCc3cccc(CCCO)c3)(C1(C)C)[C@@]2(O)OC ZINC000085546328 HF Annotated Mild in-vitro biogenic CNCCN[C@@H]1[C@@H]2C=C[C@@]34[C@H](O)C[C@]5(C)CCC[C@@](O)(C5)[C@]3(C2)C[C@]42CCC[C@@H]12 ZINC000085547452 HF 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]2CN[C@@H]1CC[C@H](O)C12CCCC2 ZINC000085547742 HF Annotated Anodyne in-vitro biogenic CNC(=N)NC[C@]1(C)[C@H]2CC3=C(C(=O)O)[C@@H](O)C[C@]31[C@H](C)C[C@@H]2Cc1ccccc1 ZINC000085548988 HF Annotated Anodyne in-vitro biogenic CC1(C)[C@H]2CC3=C(CCCCN=C(N)N)C(=O)C[C@]31[C@H](CCCCO)[C@@H](CO)C2 ZINC000085549621 HF Annotated Mild in-vitro biogenic C=C(C1CCCCC1)[C@H]1CC[C@@](C)(O)[C@H]2C[C@H](O)[C@@](O)(CCNC(=N)NC)[C@H]2C1 ZINC000085549758 HF Annotated Mild in-vitro biogenic CC[C@@H](C)[C@H]1[C@](C)(O)C(=O)[C@H]2C[C@](C)(O)C[C@@H](C)[C@H]2[C@@]1(C)C(=O)CCOC(C)=O ZINC000085558213 HF Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O)[C@@H]([C@H](C)O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C ZINC000085561642 HF Annotated Mild CC[C@H]1C[C@@H](C)C(=O)/C=C/C(C)=C/[C@H](CO)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O ZINC000085561652 HF Annotated Mild COC(=O)[C@]12O[C@@]1(C/C=C(\C)CCc1ccnc(N)c1)C(=O)c1ccccc1C2=O ZINC000085592734 HF Annotated Clean in-vitro biogenic C[C@]12C[C@@H](c3ccc(N)cc3)CC[C@@]1(O)Cc1c(cc3oc(CO)cc(=O)c3c1O)O2 ZINC000085593555 HF Annotated Anodyne in-vitro biogenic C[C@]12C[C@H](c3ccc(N)cc3)C=C[C@@]1(O)Cc1c(cc3oc(CO)cc(=O)c3c1O)O2 ZINC000085593558 HF Annotated Anodyne in-vitro biogenic CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)c(CCCO)c(=O)c3c2OC2CCCC2)O1 ZINC000085594474 HF Annotated Anodyne in-vitro biogenic C=C1C=C(C(=O)OCC)Oc2cc3c(c(OC)c21)C[C@@H]([C@](C)(O)C1CCNCC1)O3 ZINC000085595070 HF Annotated Anodyne in-vitro biogenic C=C1C=C(C(=O)OCC)Oc2cc3c(c(OC)c21)C[C@@H]([C@@](C)(O)CCCCO)O3 ZINC000085595077 HF Annotated Anodyne in-vitro biogenic COc1c(O)c(O)c(CO)c2c1C=C[C@@H]1[C@@H]2O[C@@H](CCc2ccc(O)cc2)C[C@H]1O ZINC000085596398 HF Annotated Clean in-vitro biogenic COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OCO)c3)O2)cc(OC)c1O ZINC000085596683 HF Annotated Anodyne in-vitro biogenic COc1cc2cc(c1O)CC#Cc1c(ccc(O)c1OC)CCC(=O)C[C@H](O)CC2 ZINC000085626694 HF Annotated Mild in-vitro biogenic COc1cc(CCC(=O)C[C@H](O)CCc2ccc(O)c3c2CC[C@@H](O)O3)ccc1O ZINC000085626701 HF Annotated Anodyne in-vitro biogenic O=C(CCc1ccc(O)c2c1CCCO2)C[C@H](O)CCc1ccc(O)c(OCO)c1 ZINC000085626725 HF Annotated Anodyne in-vitro biogenic CC(=O)O[C@H](CCc1ccc(O)c(OC2CCNCC2)c1)C[C@@H](O)CCC[C@H](C)O ZINC000085628402 HF Annotated Anodyne in-vitro biogenic CC[C@H]1C#CC[C@H](Cc2cc(OC)c(O)cc2CO)[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085628413 HF Annotated Mild in-vitro biogenic CO[C@H]1C2=C(C(=O)[C@]3(C(C)C)C(=O)C[C@](C)(O)[C@H]23)[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O ZINC000085641016 HF Annotated Mild COC1=C(c2ccc(OC)c(OC)c2)O[C@H]2C(OC)=C(OC)C(OC)=C(O)[C@H]2C1=O ZINC000085646352 HF Annotated Mild in-vitro biogenic CC(=O)O[C@@]1(C)C(=O)[C@@H]2OC(=O)[C@]3(C)CCC[C@@](C)([C@H]23)[C@]1(O)CCc1ccoc1 ZINC000085690491 HF Annotated Anodyne CC(=O)O[C@@H]1C[C@@]23COC(=O)C2=C[C@H](O)C[C@@H]3[C@@](C)(CC(=O)c2ccoc2)[C@@H]1C ZINC000085723429 HF Annotated Anodyne O=C1NCC[C@@H]2c3ccccc3C=CC(=O)N2CCCCN[C@H](c2ccccc2)[C@H]1O ZINC000085776297 HF Annotated Anodyne COc1cc(C[C@H]2COC[C@@H]2[C@H](O)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O ZINC000085833475 HF Annotated Anodyne CC(=O)O[C@H](C[C@@]12COC(=O)[C@@H]1CC=CC2=O)C1=C(C)C[C@H](c2ccoc2)OC1=O ZINC000085843875 HF Annotated Mild CC(=O)O[C@@H](C[C@@]12COC(=O)[C@@H]1CC=CC2=O)C1=C(C)C[C@H](c2ccoc2)OC1=O ZINC000085843877 HF Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=C(O)C(=O)c3c(O)c([C@@H](C)CO)c(O)c(O)c32)C1(C)C ZINC000085925764 HF Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=C(O)C(=O)c3c(O)c([C@H](C)CO)c(O)c(O)c32)C1(C)C ZINC000085925765 HF Annotated Mild COC(=O)c1ccc(OC)c(OC)c1Oc1c(OC)ccc2c1C(=O)N(C)CC2 ZINC000085945806 HF Annotated Anodyne CCC(=O)N1c2c(ccc(OC)c2O)[C@]23CCN4CCC[C@]5(CC[C@@H]12)CC(=O)O[C@]453 ZINC000085948042 HF Annotated Anodyne CC(=O)OC[C@H](CO)c1c(O)c(O)c2c(c1O)C(=O)C(O)=C1C(C)(C)CCC[C@@]12C ZINC000086004412 HF Annotated Mild COc1ccc(C(=O)OC[C@@H]2[C@H](O)CO[C@@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000086024300 HF Annotated Anodyne in-vitro biogenic O=C(NO)c1ccc(C2=NN=C3c4ccc(CNC5CCC(O)CC5)cc4C[C@H]23)cc1 ZINC000087612929 HF Annotated Anodyne O=C(NO)c1ccc(C2=NN=C3c4ccc(CNC5CCC(O)CC5)cc4C[C@@H]23)cc1 ZINC000087612930 HF Annotated Anodyne Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)c(C#N)c3)c(O)c(=O)c2c1 ZINC000087664199 HF Annotated Mild CN1[C@@H](c2ccc(C(=N)N)cc2)[C@H]2CN(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]2C1(C)C ZINC000087705714 HF Annotated Anodyne CC(=O)Oc1cc2[nH]c(I)c(OC(C)=O)c2cc1OC(C)=O ZINC000089203722 HF Annotated Anodyne NC(=O)C1CCN(C(=O)Nc2cccc3c(NN4CCc5ccccc54)noc23)CC1 ZINC000089209860 HF Annotated Anodyne O=C(Cn1ncn2nc(-c3cccs3)cc2c1=O)NCCc1ccc(Cl)cc1 ZINC000009287324 HF Annotated Anodyne O=C(COC(=O)CNC(=O)c1ccc(Br)cc1)NCCC1=CCCCC1 ZINC000009403107 HF Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)CC1 ZINC000009407517 HF Annotated Anodyne CCn1nc([N+](=O)[O-])c2c(-c3nc4ccccc4o3)c(N)n(CCCOC)c2c1=O ZINC000009444015 HF Annotated Bother O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1)NCc1ccco1 ZINC000009673920 HF Annotated Anodyne O=C(Cn1c[n+](CC(=O)c2ccc(Cl)cc2O)cn1)c1ccc(Cl)cc1O ZINC000095542367 HF Annotated Mild CCCSc1ccc([C@@H]2[C@H]3C(=O)N(CC)C(=O)[C@H]3[C@]3(C(=O)OC)CCCN23)cc1 ZINC000095548108 HF Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(OC)cc3)cc1)N[C@@]2(C)C(=O)OC ZINC000095549029 HF Annotated Anodyne C[C@H](Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 ZINC000095552837 HF Annotated Anodyne COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1C[C@@H](O)[C@H](O)CN1C3 ZINC000095553113 HF Annotated Bother C[C@@H](Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 ZINC000095553293 HF Annotated Anodyne NC(=O)c1ccn(-c2cccc(OC(=O)NCCOCCOc3ccccc3)c2)c1 ZINC000095553642 HF Annotated Anodyne C[C@@](CCc1cc(-c2cccc(Cl)c2Cl)on1)(C(=O)NO)S(C)(=O)=O ZINC000095554026 HF Annotated Bother C[C@](CCc1cc(-c2cccc(Cl)c2Cl)on1)(C(=O)NO)S(C)(=O)=O ZINC000095554027 HF Annotated Bother COc1cnnc(Nc2cc(-c3c(Nc4cc[nH]n4)nc4cccnn34)nc(C)n2)c1 ZINC000095555281 HF Annotated Anodyne Cc1cc(OC(=O)OCCCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000095555489 HF Annotated Anodyne Cc1cc(OC(=O)OCCCC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000095555490 HF Annotated Anodyne Cc1cc(OC(=O)C(C)(C)CC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000095555575 HF Annotated Anodyne Cc1cc(OC(=O)C(C)(C)CC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000095555576 HF Annotated Anodyne COc1cc2c3c4n(c2cc1OC)C(=O)C[C@@H]1OCC=C2CN(CC3)C(=O)C[C@@H]2[C@H]41 ZINC000095556776 HF Annotated Anodyne Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5cnn(C)c5)[nH]c34)CC2)no1 ZINC000095558126 HF Annotated Anodyne C#CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc(N)cc3)cc21 ZINC000095558297 HF Annotated Mild C#CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc(N)cc3)cc21 ZINC000095558298 HF Annotated Mild C#CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc(N)c3)cc21 ZINC000095558366 HF Annotated Mild C#CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc(N)c3)cc21 ZINC000095558367 HF Annotated Mild COC(=O)C[C@@H]1C(C(=O)OC)=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 ZINC000095560406 HF Annotated Anodyne COC(=O)C[C@H]1C(C(=O)OC)=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 ZINC000095560407 HF Annotated Anodyne CN1CC[C@]23Cc4nc5cccc([N+](=O)[O-])c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 ZINC000095560782 HF Annotated Bother COC(=O)C1=C(C)N2C(=O)[C@H](C)O[C@@]2(C)[C@@H](C(=O)OC)[C@@H]1c1cccc(Cl)c1 ZINC000095561112 HF Annotated Anodyne CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc(C(N)=O)c3)cc21 ZINC000095561593 HF Annotated Anodyne CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc(C(N)=O)c3)cc21 ZINC000095561594 HF Annotated Anodyne COc1ccc2cc3c(nc2c1)C[C@]12CCN(C)[C@H](Cc4ccc(O)cc41)[C@]2(O)C3 ZINC000095562789 HF Annotated Anodyne Cc1c(Cc2ccc(=O)n(Cc3ccncc3F)n2)c2cc(F)ccc2n1CC(=O)O ZINC000095563742 HF Annotated Anodyne COc1ccc2nc3c(cc2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)cc4[C@@]1(CCN2C)C3 ZINC000095564305 HF Annotated Anodyne O=S(=O)(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccn1 ZINC000095564525 HF Annotated Anodyne Cc1cccc2cc(Cn3cnc4c(N)ncnc43)c(N(C)C[C@@H]3CCCN3C)nc12 ZINC000095564545 HF Annotated Anodyne Cc1cccc2cc(Cn3cnc4c(N)ncnc43)c(N(C)C[C@H]3CCCN3C)nc12 ZINC000095564546 HF Annotated Anodyne O=C1C(=O)N(c2cccc(N3CCOCC3)c2)CCN1Cc1ccc(F)cc1Cl ZINC000095565100 HF Annotated Anodyne O=C1C(=O)N(c2ccccc2N2CCOCC2)CCN1Cc1ccc(F)cc1Cl ZINC000095565473 HF Annotated Anodyne O=C(C1CCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccn1 ZINC000095566409 HF Annotated Anodyne Cn1cc(-c2[nH]c3cc(NC(=O)[C@@H](N)C4CCCCC4)cc4c(=O)[nH]ncc2c34)cn1 ZINC000095566486 HF Annotated Anodyne CCOC(=O)[C@]12Cc3ccccc3[C@H]1N(CCC(=O)OC)C(=O)c1cc(OC)ccc12 ZINC000095566627 HF Annotated Anodyne CCOC(=O)C[C@@H]1OC[C@H](Cc2ccccc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000095567717 HF Annotated Anodyne CCOC(=O)[C@]12Cc3c(cc(OC)c(OC)c3OC)[C@H]1N(C)C(=O)c1ccccc12 ZINC000095567744 HF Annotated Anodyne COC(=O)c1cn(C[C@H](C)n2c(=O)c3ccccc3n2Cc2cc(C(C)C)no2)nn1 ZINC000095568668 HF Annotated Anodyne COC(=O)c1cn(C[C@@H](C)n2c(=O)c3ccccc3n2Cc2cc(C(C)C)no2)nn1 ZINC000095568669 HF Annotated Anodyne Cc1nc2cc(-c3ccncc3)nn2c(N2CCN(C(=O)c3ccoc3)CC2)c1C ZINC000095568809 HF Annotated Anodyne Cc1cc(C)nc(NC(=S)N2CCN(c3cccc(S(C)(=O)=O)c3)CC2)c1 ZINC000095569306 HF Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1N(C)C(=O)c1ccco1 ZINC000095569372 HF Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NC2CCCCC2)CC(C(=O)N2CCOCC2)=C1C ZINC000095571218 HF Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NC2CCCCC2)CC(C(=O)N2CCOCC2)=C1C ZINC000095571219 HF Annotated Anodyne CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2ccc(F)cc2)CC1 ZINC000095571220 HF Annotated Anodyne CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2ccc(F)cc2)CC1 ZINC000095571221 HF Annotated Anodyne CN1[C@@H](Cc2ccccc2)COc2cc(N3CCSCC3)ccc2S1(=O)=O ZINC000095571336 HF Annotated Anodyne O=S(=O)(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccn1 ZINC000095571533 HF Annotated Anodyne C[C@H](Oc1cc(=O)oc2ccccc12)C(=O)Nc1ccc(N2CCOCC2=O)cc1 ZINC000095572035 HF Annotated Anodyne C[C@@H](Oc1cc(=O)oc2ccccc12)C(=O)Nc1ccc(N2CCOCC2=O)cc1 ZINC000095572036 HF Annotated Anodyne C[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 ZINC000095572326 HF Annotated Anodyne C[C@H]1C[C@]2(CCN1Cc1ccc(O)cc1)CN(C)S(=O)(=O)N2c1cccc(F)c1 ZINC000095573443 HF Annotated Anodyne Cc1cc(Cl)cc2c(N3CCCN(S(C)(=O)=O)CC3)c3c(C)n[nH]c3nc12 ZINC000095573882 HF Annotated Anodyne O=C(OCc1ccc(Br)cc1)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc12 ZINC000095574667 HF Annotated Anodyne O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(NC2COC2)nc1C1CCCC1 ZINC000095576243 HF Annotated Anodyne C[C@H](O)CNc1ncc(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)c(C2CCCC2)n1 ZINC000095577082 HF Annotated Anodyne O=C(CCc1nnc2sc(-c3cc(O)c(O)c(O)c3)nn12)c1nc2ccccc2[nH]1 ZINC000095577296 HF Annotated Clean N=C1Sc2cc(Br)ccc2C2=NCC3(CCN(C(N)=O)CC3)CN12 ZINC000095579590 HF Annotated Anodyne CCCCNC(=O)N1Cc2c(NC(=O)Cc3ccccc3)nn(C(=O)C3CC3)c2C1 ZINC000095580078 HF Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(NCc3ccccc3)ccc21 ZINC000095580343 HF Annotated Anodyne COC(=O)c1c[nH]c2ccc(NC(=O)CNC(=O)Nc3ccc(N(C)C)cc3)cc12 ZINC000095580400 HF Annotated Anodyne COC(=O)c1cc(CO[P@@](N)(=O)N(CCCl)CCCl)ccc1[N+](=O)[O-] ZINC000095580597 HF Annotated Reactive COc1ccc(C(=O)NCCCCCN[C@H]2CCCc3[nH]c(=O)ccc32)cc1OC ZINC000095580883 HF Annotated Anodyne N#CC=C1CCN(c2ccc(N3C[C@H](Cn4cc(F)nn4)OC3=O)cc2F)CC1 ZINC000095581008 HF Annotated Reactive Cc1cc(O)c(C(=O)CCCCC(=O)Nc2c3sscc-3[nH]c2=O)c(=O)o1 ZINC000095581867 HF Annotated Anodyne COc1cc(N2CCN(C(=O)Cn3nc(C#N)c(Cl)c3C)CC2)ccc1Cl ZINC000095582260 HF Annotated Mild CCC(=O)c1c(O)cc(CCCC(=O)Nc2c3sscc-3[nH]c2=O)oc1=O ZINC000095582727 HF Annotated Anodyne O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2c(Cl)cccc2Cl)N1 ZINC000095582862 HF Annotated Anodyne O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2c(Cl)cccc2Cl)N1 ZINC000095582863 HF Annotated Anodyne O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2c(Cl)cccc2Cl)N1 ZINC000095582864 HF Annotated Anodyne O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2c(Cl)cccc2Cl)N1 ZINC000095582865 HF Annotated Anodyne COc1ccc(C(=O)OCCCCN[C@H]2CCCc3[nH]c(=O)ccc32)cc1OC ZINC000095583161 HF Annotated Anodyne N#CCC1=CCN(c2ccc(N3C[C@H](Cn4cc(F)nn4)OC3=O)cc2F)CC1 ZINC000095583531 HF Annotated Mild O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2ccccc2C(F)(F)F)N1 ZINC000095585581 HF Annotated Anodyne O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccccc2C(F)(F)F)N1 ZINC000095585582 HF Annotated Anodyne O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2ccccc2C(F)(F)F)N1 ZINC000095585583 HF Annotated Anodyne O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccccc2C(F)(F)F)N1 ZINC000095585584 HF Annotated Anodyne CCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(C(C)(F)F)cc1)CC2 ZINC000095587390 HF Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(N)C3)c2c1Cl ZINC000095587810 HF Annotated Anodyne O=c1n(Cc2nc(-c3cccnc3)cn2CCCCO)c2cnccc2n1C1CC1 ZINC000095587878 HF Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)N2CCOc3ccc(-c4ccc(N)nc4)cc3C2)cc1 ZINC000095588350 HF Annotated Anodyne COC(=O)N1CCC(n2ccc(Cc3nc4ccccc4n3CCCCO)n2)CC1 ZINC000095588587 HF Annotated Anodyne CN(C)CCn1nc2c3c(c(NCCc4c[nH]cn4)ccc31)C(=O)c1ccncc1-2 ZINC000095589433 HF Annotated Clean O=c1n(Cc2nc(-c3nccs3)cn2CCCCO)c2cnccc2n1C1CC1 ZINC000095589803 HF Annotated Anodyne O=c1n(Cc2nc(-c3ccccn3)cn2CCCCO)c2cnccc2n1C1CC1 ZINC000095589892 HF Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(CN3CCC4(CC3)OCCO4)nc21 ZINC000095590554 HF Annotated Clean CC(=O)OC[C@@H]1[C@H]2CO[C@@]3(CC=C(C)C)C(=O)[C@@H]1C=C1C(=O)c4c(O)cccc4O[C@]123 ZINC000095591067 HF Annotated Mild CCc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(OC(F)(F)F)cc1)CC2 ZINC000095592115 HF Annotated Anodyne CC(C)=CC[C@@]12OC[C@@H]3[C@@H](CN(C)C)[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O ZINC000095592351 HF Annotated Mild CN(C)CCn1nc2c3c(c(NCCCCN4CC4)ccc31)C(=O)c1ccncc1-2 ZINC000095592470 HF Annotated Clean CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(O)C3)c2c1Cl ZINC000095592732 HF Annotated Anodyne Cn1c(=O)c2c(cc(OCc3ccc(Cl)c(C(F)(F)F)c3)n2C)n(C)c1=O ZINC000095593760 HF Annotated Anodyne COC1=C(c2cccc(F)c2)C(=O)O[C@@H]1[C@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095594494 HF Annotated Anodyne COC1=C(c2cccc(F)c2)C(=O)O[C@H]1[C@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095594495 HF Annotated Anodyne COC1=C(c2cccc(F)c2)C(=O)O[C@@H]1[C@@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095594496 HF Annotated Anodyne COC1=C(c2cccc(F)c2)C(=O)O[C@H]1[C@@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095594497 HF Annotated Anodyne COC1=C(c2ccc(F)cc2)C(=O)O[C@@H]1[C@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095594950 HF Annotated Anodyne COC1=C(c2ccc(F)cc2)C(=O)O[C@H]1[C@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095594951 HF Annotated Anodyne COC1=C(c2ccc(F)cc2)C(=O)O[C@@H]1[C@@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095594952 HF Annotated Anodyne COC1=C(c2ccc(F)cc2)C(=O)O[C@H]1[C@@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095594953 HF Annotated Anodyne Nc1n[nH]c2cc(-c3nc(N4CCOCC4)nc4c3CCN4c3ccncc3)ccc12 ZINC000095595131 HF Annotated Anodyne COC1=C(c2ccc(C)cc2)C(=O)O[C@H]1[C@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095595335 HF Annotated Anodyne COC1=C(c2ccc(C)cc2)C(=O)O[C@@H]1[C@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095595336 HF Annotated Anodyne COC1=C(c2ccc(C)cc2)C(=O)O[C@H]1[C@@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095595337 HF Annotated Anodyne COC1=C(c2ccc(C)cc2)C(=O)O[C@@H]1[C@@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095595338 HF Annotated Anodyne O=C(NCCF)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(Br)cccc1-2 ZINC000095595920 HF Annotated Anodyne O=C(CS(=O)(=O)/C=C/c1ccccc1)N1CCCN(Cc2ccsc2)CC1 ZINC000095597043 HF Annotated Anodyne C=C(O)OC[C@]12CC[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@H]([C@]3(C)CO3)[C@@H](O)[C@H]1O2 ZINC000095598087 HF Annotated Anodyne CCCNC(=O)N1[C@H](C#N)[C@H](c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)[C@@H]1CO ZINC000095598763 HF Annotated Mild COc1cccc(C#Cc2ccc([C@H]3[C@@H](CO)N(C(=O)c4ccccn4)[C@H]3C#N)cc2)c1 ZINC000095598819 HF Annotated Mild COc1ccc(N2C(=O)c3ccccc3NC(=O)[C@H]2C(=O)NCc2ccco2)cc1 ZINC000095598983 HF Annotated Anodyne COc1ccc(N2C(=O)c3ccccc3NC(=O)[C@@H]2C(=O)NCc2ccco2)cc1 ZINC000095598984 HF Annotated Anodyne O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1ccco1 ZINC000095599254 HF Annotated Anodyne O=C1c2ccccc2[C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1ccco1 ZINC000095599255 HF Annotated Anodyne COC(=O)[C@@H]1N=C(c2ccc(OC)cc2)O[C@]12C(=O)N(C)c1ccc(Cl)cc12 ZINC000095600585 HF Annotated Anodyne C[C@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1CCc1ccccc1F ZINC000095600779 HF Annotated Anodyne C[C@@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1CCc1ccccc1F ZINC000095600780 HF Annotated Anodyne N#C[C@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H](CO)N1C(=O)C1CCOCC1 ZINC000095600783 HF Annotated Mild CCOC(=O)CNC(=O)N1Cc2cc(-c3cccc(F)c3)ccc2-n2nncc2C1 ZINC000095601267 HF Annotated Anodyne COc1cc(-c2nnc(SCCn3c([N+](=O)[O-])cnc3C)o2)cc(OC)c1OC ZINC000095601555 HF Annotated Bother Cc1ccc(CN2C(=O)CC[C@@]2(C)c2nnnn2-c2ccc3c(c2)OCCO3)cc1 ZINC000095601655 HF Annotated Anodyne Cc1ccc(CN2C(=O)CC[C@]2(C)c2nnnn2-c2ccc3c(c2)OCCO3)cc1 ZINC000095601656 HF Annotated Anodyne COc1cccc(C#Cc2ccc([C@@H]3[C@H](C#N)N(C(=O)c4ccccn4)[C@H]3CO)cc2)c1 ZINC000095601685 HF Annotated Mild CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1 ZINC000095601966 HF Annotated Anodyne CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1 ZINC000095601967 HF Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@@H]2OC[C@H](C)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095602782 HF Annotated Anodyne COc1ccc(CN2C(=O)CSC[C@]2(C)C(=O)NCc2ccccc2)cc1OC ZINC000095603072 HF Annotated Anodyne COc1ccc(CN2C(=O)CSC[C@@]2(C)C(=O)NCc2ccccc2)cc1OC ZINC000095603073 HF Annotated Anodyne CC[C@@H](C(=O)O)N1Cc2sc(C#Cc3ccc(N(C)C)cc3)cc2S1(=O)=O ZINC000095603142 HF Annotated Mild CC[C@H](C(=O)O)N1Cc2sc(C#Cc3ccc(N(C)C)cc3)cc2S1(=O)=O ZINC000095603143 HF Annotated Mild O=C1CN(CCC2CCOCC2)c2nc(-c3ccc(-c4nc[nH]n4)cc3)cnc2N1 ZINC000095603272 HF Annotated Anodyne COc1cccc(C#Cc2ccc([C@@H]3[C@@H](C#N)N(C(=O)c4ccccn4)[C@@H]3CO)cc2)c1 ZINC000095603704 HF Annotated Mild O=C(O)Cc1sc(/C=C2\NC(=O)CS2)nc1-c1ccc(Br)cn1 ZINC000095603946 HF Annotated Anodyne COc1cccc(C#Cc2ccc([C@H]3[C@@H](C#N)N(C(=O)c4ccccn4)[C@@H]3CO)cc2)c1 ZINC000095604023 HF Annotated Mild COC(=O)C1=CN(c2ccc(N3CCOCC3)cc2)C(N)=C(C#N)[C@@H]1c1ccccc1 ZINC000095604837 HF Annotated Reactive COC(=O)C1=CN(c2ccc(N3CCOCC3)cc2)C(N)=C(C#N)[C@H]1c1ccccc1 ZINC000095604838 HF Annotated Reactive CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)Cc2cccnc2)[C@@H]1CO ZINC000095605215 HF Annotated Anodyne C/C(=C/Sc1ccccc1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000095614630 HF Annotated Anodyne CCCC[C@H](C)[C@H](O)[C@H](O)C[C@H](C)C[C@@H](O)CCCC[C@@H](O)C[C@H](O)C(C)=O ZINC000095635573 HF Annotated Anodyne in-vitro CC(=O)Nc1cccc2c1O[C@H](CN(C)C(=O)OC(C)(C)C)[C@H](C)CN(C)C2=O ZINC000095660957 HF Annotated Anodyne C[C@@H]1CN(C)C(=O)Cc2cc([N+](=O)[O-])ccc2O[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000095660965 HF Annotated Bother COc1ccc(C[C@@H]2CCn3cc(nn3)COC[C@H](c3ccccc3)NC2=O)cc1 ZINC000095660995 HF Annotated Anodyne CC(=O)Nc1ccc2c(c1)CC(=O)N(C)C[C@H](C)[C@@H](CN(C)C(=O)OC(C)(C)C)O2 ZINC000095661006 HF Annotated Anodyne COc1ccc(C[C@@H]2CCn3nncc3COC[C@@H](c3ccccc3)NC2=O)cc1 ZINC000095661032 HF Annotated Anodyne C[C@H]1CN(C)C(=O)Cc2cc([N+](=O)[O-])ccc2O[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000095661041 HF Annotated Bother O=C1N[C@H](Cc2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1cccc(F)c1 ZINC000095661053 HF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095661203 HF Annotated Anodyne CC(=O)Nc1ccc2c(c1)CC(=O)N(C)C[C@H](C)[C@H](CN(C)C(=O)OC(C)(C)C)O2 ZINC000095661212 HF Annotated Anodyne O=C1N[C@H](Cc2ccccc2)COCc2cnnn2CC[C@H]1Cc1cccc(F)c1 ZINC000095661233 HF Annotated Anodyne C[C@H]1CN(C)C(=O)Cc2cc([N+](=O)[O-])ccc2O[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000095661450 HF Annotated Bother CCCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095661482 HF Annotated Mild COc1ccc(C[C@H]2CCn3nncc3COC[C@@H](c3ccccc3)NC2=O)cc1 ZINC000095661523 HF Annotated Anodyne CC(=O)Nc1ccc2c(c1)CC(=O)N(C)C[C@@H](C)[C@@H](CN(C)C(=O)OC(C)(C)C)O2 ZINC000095661562 HF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(Cc2cc(F)ccc2F)C1 ZINC000095661831 HF Annotated Anodyne CC(=O)Nc1cccc2c1O[C@@H](CN(C)C(=O)OC(C)(C)C)[C@H](C)CN(C)C2=O ZINC000095661883 HF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CCN(C(C)=O)CC1 ZINC000095662006 HF Annotated Anodyne C[C@@H]1CN(C)C(=O)Cc2cc([N+](=O)[O-])ccc2O[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000095662024 HF Annotated Bother N#C[C@@H]1[C@@H](c2ccc(C#Cc3cccnc3)cc2)[C@@H](CO)N1C(=O)NC1CCCC1 ZINC000095662369 HF Annotated Mild O=C1N[C@H](Cc2ccccc2)COCc2cnnn2CC[C@@H]1Cc1cccc(F)c1 ZINC000095662428 HF Annotated Anodyne CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@H]23)cc1 ZINC000095662460 HF Annotated Mild COc1ccc(C[C@@H]2CCn3nncc3COC[C@H](c3ccccc3)NC2=O)cc1 ZINC000095662508 HF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccncc1)CC31CCN(C)CC1 ZINC000095662653 HF Annotated Anodyne COc1ccc(C[C@H]2CCn3cc(nn3)COC[C@@H](Cc3ccccc3)NC2=O)cc1 ZINC000095662848 HF Annotated Anodyne CC(=O)Nc1cccc2c1O[C@@H](CN(C)C(=O)OC(C)(C)C)[C@@H](C)CN(C)C2=O ZINC000095662898 HF Annotated Anodyne O=C1N[C@H](Cc2ccccc2)COCc2cn(nn2)CC[C@@H]1Cc1cccc(F)c1 ZINC000095663051 HF Annotated Anodyne COc1ccc(C[C@@H]2CCn3cc(nn3)COC[C@@H](Cc3ccccc3)NC2=O)cc1 ZINC000095663081 HF Annotated Anodyne COc1ccc(C[C@H]2CCn3nncc3COC[C@H](c3ccccc3)NC2=O)cc1 ZINC000095663164 HF Annotated Anodyne CC(=O)Nc1cccc2c1O[C@H](CN(C)C(=O)OC(C)(C)C)[C@@H](C)CN(C)C2=O ZINC000095663205 HF Annotated Anodyne N#C[C@@H]1[C@H](c2ccc(C#Cc3cccc(F)c3)cc2)[C@H](CO)N1C(=O)C1CCOCC1 ZINC000095663214 HF Annotated Mild O=C(NC1CCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095663222 HF Annotated Anodyne N#C[C@H]1[C@H](c2ccc(C#Cc3cccnc3)cc2)[C@@H](CO)N1C(=O)NC1CCCC1 ZINC000095663254 HF Annotated Mild O=C1N[C@@H](Cc2ccccc2)COCc2cn(nn2)CC[C@@H]1Cc1cccc(F)c1 ZINC000095663362 HF Annotated Anodyne O=C1N[C@@H](Cc2ccccc2)COCc2cnnn2CC[C@@H]1Cc1cccc(F)c1 ZINC000095663491 HF Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095663780 HF Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2C#N)cc1 ZINC000095663782 HF Annotated Mild COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C)CC31CN(C(=O)c2ccccc2F)C1 ZINC000095663806 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095663888 HF Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095664038 HF Annotated Mild COc1ccc(C[C@H]2CCn3cc(nn3)COC[C@@H](c3ccccc3)NC2=O)cc1 ZINC000095664332 HF Annotated Anodyne CCCNC(=O)N1CC2(CCN(C)CC2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO ZINC000095664357 HF Annotated Anodyne O=C1N[C@@H](Cc2ccccc2)COCc2cnnn2CC[C@H]1Cc1cccc(F)c1 ZINC000095664386 HF Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4cccc(F)c4)CC(=O)N3[C@H]2CO)cc1 ZINC000095664620 HF Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@H]23)cc1 ZINC000095664658 HF Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095664800 HF Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4cccc(F)c4)CC(=O)N3[C@H]2CO)cc1 ZINC000095665024 HF Annotated Mild O=C1N[C@@H](Cc2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1cccc(F)c1 ZINC000095665134 HF Annotated Anodyne CN(C)c1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3ccccc3F)O[C@H](CO)[C@@H]1O2 ZINC000095665336 HF Annotated Clean COc1cc2c(cc1OC)[C@@]13ON=C(c4ccc(OCCO)cc4)[C@@H]1CCN3CC2 ZINC000095665735 HF Annotated Anodyne CCCNC(=O)N1CC2(CN(CC3CC3)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095666155 HF Annotated Anodyne CCCNC(=O)N1CC2(CN(CC3CC3)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095666207 HF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CCCC1)CC31CN(C(C)=O)C1 ZINC000095666642 HF Annotated Anodyne O=C(c1cccnc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4cccnc4)cc3[C@@H]21 ZINC000095666831 HF Annotated Mild O=C(NC1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1 ZINC000095666965 HF Annotated Anodyne O=C(NC1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1 ZINC000095666969 HF Annotated Anodyne O=C(c1cccnc1)N1CC[C@@H]2[C@H]1c1cc(C#Cc3cccnc3)ccc1N[C@H]2CO ZINC000095667066 HF Annotated Mild O=C(C1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1cncnc1 ZINC000095667134 HF Annotated Anodyne O=C(C1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1cncnc1 ZINC000095667139 HF Annotated Anodyne O=C(C1CCCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1cncnc1 ZINC000095667143 HF Annotated Anodyne O=C(c1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCCC1 ZINC000095667148 HF Annotated Anodyne O=C(c1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCCCC1 ZINC000095667152 HF Annotated Anodyne O=C(c1ccccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCCC1 ZINC000095667155 HF Annotated Anodyne COc1ccc(-c2ccccc2[C@H]2[C@@H](CO)N(C(=O)C3CCOCC3)[C@H]2C#N)cc1 ZINC000095667523 HF Annotated Mild COc1ccc(-c2ccccc2[C@@H]2[C@@H](C#N)N(C(=O)C3CCOCC3)[C@H]2CO)cc1 ZINC000095667624 HF Annotated Mild COc1ccc(-c2ccccc2[C@H]2[C@@H](C#N)N(C(=O)C3CCOCC3)[C@H]2CO)cc1 ZINC000095667629 HF Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2[C@H]2[C@@H](C#N)N(C(=O)C3CC3)[C@@H]2CO)c1 ZINC000095667683 HF Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2[C@@H]2[C@@H](C#N)N(C(=O)C3CC3)[C@@H]2CO)c1 ZINC000095667691 HF Annotated Mild CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095667725 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095667848 HF Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(C#N)cc3)cc1)[C@@H](CO)N2C(C)=O ZINC000095667868 HF Annotated Mild CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(C#N)cc3)cc1)[C@H](CO)N2C(C)=O ZINC000095667871 HF Annotated Mild CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(C#N)cc3)cc1)[C@H](CO)N2C(C)=O ZINC000095667875 HF Annotated Mild CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(C#N)cc3)cc1)[C@@H](CO)N2C(C)=O ZINC000095667879 HF Annotated Mild CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095667970 HF Annotated Anodyne CC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(C#N)cc3)cc1)[C@H](CO)N2C(=O)C1CC1 ZINC000095667997 HF Annotated Mild CC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(C#N)cc3)cc1)[C@H](CO)N2C(=O)C1CC1 ZINC000095668001 HF Annotated Mild CC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(C#N)cc3)cc1)[C@@H](CO)N2C(=O)C1CC1 ZINC000095668005 HF Annotated Mild CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095668071 HF Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3cccc(OC)c3)cc2)C12CN(C(C)=O)C2 ZINC000095668119 HF Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3cccc(OC)c3)cc2)C12CN(C(C)=O)C2 ZINC000095668123 HF Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccccc3OC)cc2)C12CN(C(C)=O)C2 ZINC000095668157 HF Annotated Anodyne CC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(C#N)cc3)cc1)[C@@H](CO)N2C(=O)C1CC1 ZINC000095668160 HF Annotated Mild CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095668197 HF Annotated Anodyne O=C(c1ccccc1F)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1 ZINC000095668275 HF Annotated Anodyne O=C(c1ccccc1F)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCOCC1 ZINC000095668277 HF Annotated Anodyne O=C(c1ccccc1F)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1 ZINC000095668280 HF Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccccc3OC)cc2)C12CN(C(C)=O)C2 ZINC000095668288 HF Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3ccccc3OC)cc2)C12CN(C(C)=O)C2 ZINC000095668293 HF Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@H](c2ccc(-c3ccccc3OC)cc2)C12CN(C(C)=O)C2 ZINC000095668296 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095668318 HF Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccccc2[C@H]2[C@H](C#N)N(C(=O)C3CC3)[C@H]2CO)c1 ZINC000095668414 HF Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2[C@@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2C#N)c1 ZINC000095668419 HF Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2[C@@H]2[C@H](C#N)N(C(=O)C3CC3)[C@H]2CO)c1 ZINC000095668421 HF Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2[C@@H]2[C@@H](C#N)N(C(=O)C3CC3)[C@H]2CO)c1 ZINC000095668424 HF Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2[C@H]2[C@@H](C#N)N(C(=O)C3CC3)[C@H]2CO)c1 ZINC000095668426 HF Annotated Mild O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccccc1 ZINC000095675734 HF Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccccc1 ZINC000095675735 HF Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccccc1 ZINC000095675736 HF Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccccc1 ZINC000095675737 HF Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccccc1 ZINC000095675738 HF Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccccc1 ZINC000095675739 HF Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccccc1 ZINC000095675740 HF Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccccc1 ZINC000095675741 HF Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccccc1 ZINC000095676051 HF Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccccc1 ZINC000095676052 HF Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccccc1 ZINC000095676053 HF Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccccc1 ZINC000095676054 HF Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccccc1 ZINC000095676055 HF Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccccc1 ZINC000095676056 HF Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccccc1 ZINC000095676057 HF Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccccc1 ZINC000095676058 HF Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@H](CO)O1)c1ccc(F)cc1 ZINC000095676214 HF Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](CO)O1)c1ccc(F)cc1 ZINC000095676215 HF Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](CO)O1)c1ccc(F)cc1 ZINC000095676216 HF Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCCCC2)[C@H](CO)O1)c1ccc(F)cc1 ZINC000095676217 HF Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](CO)O1)c1ccc(F)cc1 ZINC000095676218 HF Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@H](CO)O1)c1ccc(F)cc1 ZINC000095676219 HF Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCCCC2)[C@H](CO)O1)c1ccc(F)cc1 ZINC000095676220 HF Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](CO)O1)c1ccc(F)cc1 ZINC000095676221 HF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095677478 HF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095677479 HF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095677480 HF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095677481 HF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095677482 HF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095677483 HF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095677484 HF Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095677485 HF Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095677553 HF Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095677554 HF Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095677555 HF Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095677556 HF Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095677557 HF Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095677558 HF Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095677559 HF Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095677560 HF Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1)NCC1CCCCC1 ZINC000095677798 HF Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1)NCC1CCCCC1 ZINC000095677799 HF Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1)NCC1CCCCC1 ZINC000095677800 HF Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1)NCC1CCCCC1 ZINC000095677801 HF Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1)NCC1CCCCC1 ZINC000095677802 HF Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1)NCC1CCCCC1 ZINC000095677803 HF Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1)NCC1CCCCC1 ZINC000095677804 HF Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1)NCC1CCCCC1 ZINC000095677805 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095679201 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095679202 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095679203 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095679204 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095679205 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095679206 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095679207 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)NC[C@H]1C ZINC000095679208 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095679209 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095679211 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)NC[C@H]1C ZINC000095679213 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095679215 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095679216 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095679218 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095679384 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095679385 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095679387 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095679388 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095679389 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095679390 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095679391 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095679392 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095679402 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095679403 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095679404 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095679406 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095679407 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095679409 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095679861 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095679863 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095679865 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095679867 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095679869 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095679871 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095679873 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095679875 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)NC[C@H]1C ZINC000095688382 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095688383 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095688384 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)NC[C@H]1C ZINC000095688385 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095688386 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095688387 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095688388 HF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688459 HF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688460 HF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688461 HF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688462 HF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688463 HF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688464 HF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688465 HF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688610 HF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688611 HF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688612 HF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688613 HF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688614 HF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688615 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688822 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688823 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688824 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688825 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095688826 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095688827 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095688828 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095688829 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095689680 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095689682 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095689684 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C ZINC000095689686 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C ZINC000095689687 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C ZINC000095689689 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C ZINC000095689691 HF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C)[C@@H](C)CO2 ZINC000095689695 HF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C)[C@H](C)CO2 ZINC000095689697 HF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C)[C@@H](C)CO2 ZINC000095689700 HF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C)[C@H](C)CO2 ZINC000095689701 HF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C)[C@@H](C)CO2 ZINC000095689703 HF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C)[C@H](C)CO2 ZINC000095689706 HF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C)[C@@H](C)CO2 ZINC000095689708 HF Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C)[C@H](C)CO2 ZINC000095689709 HF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C)[C@@H](C)CO2 ZINC000095690140 HF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C)[C@H](C)CO2 ZINC000095690142 HF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C)[C@@H](C)CO2 ZINC000095690144 HF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C)[C@H](C)CO2 ZINC000095690146 HF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C)[C@@H](C)CO2 ZINC000095690147 HF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C)[C@H](C)CO2 ZINC000095690150 HF Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C)[C@@H](C)CO2 ZINC000095690152 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095692784 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095692903 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095692927 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095693066 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095693073 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095693075 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095693227 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095693296 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095693529 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095693535 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095693623 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095693900 HF Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095693923 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095693938 HF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C ZINC000095701478 HF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C ZINC000095701479 HF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O ZINC000095701480 HF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C ZINC000095701481 HF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C ZINC000095701482 HF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C ZINC000095701483 HF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O ZINC000095701484 HF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@@H]1CN(C)C ZINC000095701485 HF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)CC1CC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095702203 HF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)CC1CC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095702204 HF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)CC1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095702205 HF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)CC1CC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095702206 HF Annotated Anodyne CC[C@H](NC1=NC=N[C@H]2N=CN=C12)[C@@H]1Nc2cccc(F)c2C(=O)N1c1ccccc1 ZINC000095707971 HF Annotated Anodyne CC[C@H](NC1=NC=N[C@H]2N=CN=C12)[C@H]1Nc2cccc(F)c2C(=O)N1c1ccccc1 ZINC000095707973 HF Annotated Anodyne CC[C@H](NC1=NC=N[C@@H]2N=CN=C12)[C@@H]1Nc2cccc(F)c2C(=O)N1c1ccccc1 ZINC000095707975 HF Annotated Anodyne CC[C@H](NC1=NC=N[C@@H]2N=CN=C12)[C@H]1Nc2cccc(F)c2C(=O)N1c1ccccc1 ZINC000095707976 HF Annotated Anodyne CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)CCC)O2 ZINC000095708603 HF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)CCC)O2 ZINC000095708604 HF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)CCC)O2 ZINC000095708605 HF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)CCC)O2 ZINC000095708606 HF Annotated Mild CCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)CCC)O2 ZINC000095708607 HF Annotated Mild CNC[C@@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095714993 HF Annotated Anodyne CNC[C@H]1Oc2cc(-c3ccc(C)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095714994 HF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C ZINC000095716863 HF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C ZINC000095716865 HF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095716867 HF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C ZINC000095716869 HF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C ZINC000095716870 HF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)C ZINC000095716873 HF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095716875 HF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)C ZINC000095716876 HF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)CCC)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095728951 HF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)CCC)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095728955 HF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)CCC)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095728957 HF Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)CCC)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095728960 HF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)C ZINC000095732298 HF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)C ZINC000095732461 HF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)C ZINC000095732712 HF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(-c3ccccc3)ccc2S1(=O)=O ZINC000095732737 HF Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)C ZINC000095732784 HF Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(-c3ccccc3)ccc2S1(=O)=O ZINC000095732797 HF Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)C ZINC000095732820 HF Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@H]1CN(C)C ZINC000095732968 HF Annotated Anodyne C=CCN1C(=O)N[C@@H]2c3ccccc3O[C@@]1(COCc1ccc(OC)cc1)[C@@H]2CO ZINC000095783719 HF Annotated Mild C#CCNC(=O)C1=C[C@@H](c2cn(C(C)=O)c3ccccc23)[C@H](CCCO)[C@@H](OCC)O1 ZINC000095783782 HF Annotated Mild CN1CCN(C(=O)C2=C[C@H](C(C)(C)C)C[C@H](OCc3ccc(CO)cc3)O2)CC1 ZINC000095783800 HF Annotated Anodyne C#CCNC(=O)C1=C[C@H](c2cn(C(C)=O)c3ccccc23)C[C@H](OCCCCO)O1 ZINC000095783982 HF Annotated Mild COc1ccc(NC(=O)O[C@@H](c2ccc(OCCO)cc2)[C@H](CCO)OC)cc1 ZINC000095784051 HF Annotated Anodyne COc1ccc(NC(=O)O[C@H](c2ccc(OCCO)cc2)[C@@H](CCO)OC)cc1 ZINC000095784056 HF Annotated Anodyne CNC(=O)C1=C[C@H](c2ccc(C(=O)OC)cc2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000095784136 HF Annotated Anodyne COC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000095785838 HF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095793730 HF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CCN(C(C)=O)CC1 ZINC000095793792 HF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C)CC31CCN(C(=O)c2cccnc2)CC1 ZINC000095793866 HF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C)CC31CCN(C(=O)c2cccnc2)CC1 ZINC000095793868 HF Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccc(C#N)cc3)cc2)C12CN(C(C)=O)C2 ZINC000095794155 HF Annotated Mild CCC(=O)N1[C@@H](CO)[C@H](c2ccc(-c3ccc(C#N)cc3)cc2)C12CN(C(C)=O)C2 ZINC000095794158 HF Annotated Mild CCC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3ccc(C#N)cc3)cc2)C12CN(C(C)=O)C2 ZINC000095794160 HF Annotated Mild CCC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccc(C#N)cc3)cc2)C12CN(C(C)=O)C2 ZINC000095794162 HF Annotated Mild CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095794438 HF Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3cccc(OC)c3)cc1)[C@H](CO)N2C(C)=O ZINC000095794628 HF Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3cccc(OC)c3)cc1)[C@@H](CO)N2C(C)=O ZINC000095794630 HF Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3cccc(OC)c3)cc1)[C@@H](CO)N2C(C)=O ZINC000095794632 HF Annotated Anodyne O=C(C1CCCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095794674 HF Annotated Anodyne O=C(C1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095794675 HF Annotated Anodyne O=C(C1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095794676 HF Annotated Anodyne O=C(C1CCCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095794677 HF Annotated Anodyne O=C(C1CCOCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccc1F ZINC000095794734 HF Annotated Anodyne O=C(C1CCOCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1F ZINC000095794735 HF Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CC3)C23CN(C(C)=O)C3)cc1 ZINC000095794768 HF Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)C23CN(C(C)=O)C3)cc1 ZINC000095794769 HF Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@H](CO)N(C(=O)C3CC3)C23CN(C(C)=O)C3)cc1 ZINC000095794771 HF Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@H](CO)N(C(=O)C3CC3)C23CN(C(C)=O)C3)cc1 ZINC000095794773 HF Annotated Anodyne O=C(C1CCOCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1F ZINC000095794776 HF Annotated Anodyne O=C(C1CCOCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2Cc1ccccc1F ZINC000095794777 HF Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095794790 HF Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095794900 HF Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)NC(C)C)C[C@@H]34)cc2)cc1 ZINC000095795020 HF Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)NC(C)C)C[C@@H]34)cc2)cc1 ZINC000095795021 HF Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)NC(C)C)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095795054 HF Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)NC(C)C)C[C@H]34)cc2)cc1 ZINC000095795056 HF Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)NC(C)C)C[C@@H]34)cc2)cc1 ZINC000095795057 HF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4cccc(OC)c4)C[C@H]23)cc1 ZINC000095795198 HF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)Nc4cccc(OC)c4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795199 HF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)Nc4cccc(OC)c4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795242 HF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4cccc(OC)c4)C[C@@H]23)cc1 ZINC000095795243 HF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4cccc(OC)c4)C[C@@H]23)cc1 ZINC000095795244 HF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4cccc(OC)c4)C[C@@H]23)cc1 ZINC000095795245 HF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4cccc(OC)c4)C[C@@H]23)cc1 ZINC000095795246 HF Annotated Anodyne CC(C)NC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095795338 HF Annotated Anodyne CC(C)NC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095795339 HF Annotated Anodyne CC(C)NC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095795340 HF Annotated Anodyne CC(C)NC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095795341 HF Annotated Anodyne CC(C)NC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095795342 HF Annotated Anodyne CC(C)NC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095795343 HF Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095795417 HF Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795418 HF Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095795453 HF Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795454 HF Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095795455 HF Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095795456 HF Annotated Anodyne CN1c2ccc(C#Cc3cccnc3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCC2)[C@@H]1CO ZINC000095795578 HF Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccc4)C[C@@H]23)cc1 ZINC000095795632 HF Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccccc4)C[C@@H]23)cc1 ZINC000095795633 HF Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccc4)C[C@H]23)cc1 ZINC000095795634 HF Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccccc4)C[C@@H]23)cc1 ZINC000095795635 HF Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccc4)C[C@@H]23)cc1 ZINC000095795636 HF Annotated Mild CCCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4ccccc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795652 HF Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4ccccc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795653 HF Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccc4)C[C@H]23)cc1 ZINC000095795654 HF Annotated Mild O=C(C1CCCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095795760 HF Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095795761 HF Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095795762 HF Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095795763 HF Annotated Anodyne O=C(Cc1ccccc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C3=CCCC3)cc1)[C@@H]2CO ZINC000095795764 HF Annotated Anodyne O=C(Cc1ccccc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C3=CCCC3)cc1)[C@@H]2CO ZINC000095795765 HF Annotated Anodyne O=C(Cc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095795766 HF Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095795774 HF Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095795775 HF Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095795776 HF Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095795777 HF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccc(F)cc1)CC31CN(C(C)=O)C1 ZINC000095795928 HF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccccc1)CC31CN(C)C1 ZINC000095795930 HF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccccc1)CC31CN(C)C1 ZINC000095795932 HF Annotated Anodyne CCCNC(=O)N1CC2(CCN(C)CC2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO ZINC000095795974 HF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccc(F)cc1)CC31CN(C)C1 ZINC000095796047 HF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccc(F)cc1)CC31CN(C)C1 ZINC000095796048 HF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(Cc2cc(F)ccc2F)C1 ZINC000095796089 HF Annotated Anodyne CCC(=O)N1CC2(C1)CN(Cc1ccccn1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796182 HF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)CC2CC2)C1 ZINC000095796238 HF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CN(C(=O)CC2CC2)C1 ZINC000095796239 HF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(Cc2ccncc2)CC1 ZINC000095796241 HF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(Cc2ccncc2)CC1 ZINC000095796243 HF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(CCC(F)(F)F)C23CN(C(=O)COC)C3)cc1 ZINC000095796446 HF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(CCC(F)(F)F)C23CN(C(=O)COC)C3)cc1 ZINC000095796447 HF Annotated Anodyne O=C(c1ccccc1)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1nccs1)C2 ZINC000095796450 HF Annotated Anodyne O=C(c1ccccc1)N1[C@H](CO)[C@H](c2ccccc2)C12CN(Cc1nccs1)C2 ZINC000095796451 HF Annotated Anodyne O=C(c1ccccc1)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1nccs1)C2 ZINC000095796452 HF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(C(=O)Nc2ccccc2F)C1 ZINC000095796462 HF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(C(=O)Nc2ccccc2F)C1 ZINC000095796463 HF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(Cc3cncnc3)C23CN(C(=O)CC2CC2)C3)cc1 ZINC000095796470 HF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(Cc3cncnc3)C23CN(C(=O)CC2CC2)C3)cc1 ZINC000095796471 HF Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccccc3OC)cc1)[C@H](CO)N2C(C)=O ZINC000095796610 HF Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccccc3OC)cc1)[C@@H](CO)N2C(C)=O ZINC000095796611 HF Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccccc3OC)cc1)[C@@H](CO)N2C(C)=O ZINC000095796612 HF Annotated Anodyne CC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3ccc(C#N)cc3)cc2)C12CN(C(=O)C1CC1)C2 ZINC000095796616 HF Annotated Mild CC(=O)N1[C@H](CO)[C@H](c2ccc(-c3ccc(C#N)cc3)cc2)C12CN(C(=O)C1CC1)C2 ZINC000095796617 HF Annotated Mild CC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccc(C#N)cc3)cc2)C12CN(C(=O)C1CC1)C2 ZINC000095796651 HF Annotated Mild COc1cccc(-c2ccc([C@@H]3[C@H](CO)N(C(=O)C4CC4)C34CN(C(C)=O)C4)cc2)c1 ZINC000095796745 HF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1OC)CC31CN(C)C1 ZINC000095796761 HF Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N(C(=O)C4CC4)C34CN(C(C)=O)C4)cc2)c1 ZINC000095796791 HF Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H](CO)N(C(=O)C4CC4)C34CN(C(C)=O)C4)cc2)c1 ZINC000095796792 HF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1OC)CC31CN(C)C1 ZINC000095796806 HF Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095796871 HF Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095796872 HF Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095796873 HF Annotated Mild CCCNC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095796874 HF Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095796875 HF Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095796876 HF Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095796877 HF Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095796878 HF Annotated Mild O=C(c1cccc(F)c1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1 ZINC000095797069 HF Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095797359 HF Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095797360 HF Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095797361 HF Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095797362 HF Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095797363 HF Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095797364 HF Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095797365 HF Annotated Anodyne O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095797390 HF Annotated Anodyne N#Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCC5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095797391 HF Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCC5)C[C@H]34)cc2)cc1 ZINC000095797392 HF Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CCC5)C[C@@H]34)cc2)cc1 ZINC000095797393 HF Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCC5)C[C@@H]34)cc2)cc1 ZINC000095797394 HF Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)NC4CCCC4)CC(=O)N3[C@H]2CO)cc1 ZINC000095797434 HF Annotated Mild N#Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCC5)C[C@@H]34)cc2)cc1 ZINC000095797482 HF Annotated Mild COc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCC5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095797514 HF Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCC5)C[C@H]34)cc2)c1 ZINC000095797515 HF Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCC5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095797516 HF Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCC5)C[C@@H]34)cc2)c1 ZINC000095797517 HF Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CCC5)C[C@@H]34)cc2)c1 ZINC000095797549 HF Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CCC5)C[C@@H]34)cc2)c1 ZINC000095797550 HF Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCC5)C[C@@H]34)cc2)c1 ZINC000095797551 HF Annotated Anodyne CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCCC4)C[C@H]23)cc1 ZINC000095797581 HF Annotated Mild O=C(NC[C@@H]1CC[C@@H]2[C@@H](CN2C(=O)C2CCOCC2)O1)Nc1ccccc1Cl ZINC000095797588 HF Annotated Anodyne O=C(Nc1ccccc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095797609 HF Annotated Mild CN1c2ccc(C#Cc3cccnc3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCC2)[C@H]1CO ZINC000095797622 HF Annotated Mild O=C(NC1CCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095797626 HF Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095797632 HF Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095797633 HF Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095797634 HF Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095797635 HF Annotated Anodyne O=C(Nc1ccccc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797636 HF Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797637 HF Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095797638 HF Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797639 HF Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797640 HF Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095797641 HF Annotated Mild O=C(C1CCCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095797669 HF Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095797670 HF Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095797671 HF Annotated Anodyne O=C(C1CCCCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095797672 HF Annotated Anodyne O=C(Nc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095797678 HF Annotated Mild O=C(c1cccc(F)c1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1 ZINC000095797753 HF Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CCC5)C[C@@H]34)cc2)cc1 ZINC000095797764 HF Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCC5)C[C@@H]34)cc2)cc1 ZINC000095797765 HF Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCC5)C[C@@H]34)cc2)cc1 ZINC000095797766 HF Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCC5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095797767 HF Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCC5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095797768 HF Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCC5)C[C@H]34)cc2)cc1 ZINC000095797769 HF Annotated Anodyne CC(C)CC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095798376 HF Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)NC4CCCCC4)CC(=O)N3[C@H]2CO)cc1 ZINC000095798431 HF Annotated Mild O=C(c1cccc(F)c1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1 ZINC000095798445 HF Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccccc2[C@H]2[C@@H](C#N)N(C(=O)C3CC3)[C@@H]2CO)cc1 ZINC000095798446 HF Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095798447 HF Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCCC4)C[C@@H]23)cc1 ZINC000095798494 HF Annotated Mild O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)NC1CCCC1 ZINC000095798528 HF Annotated Anodyne COC(=O)CCCCCCC(=O)N/N=C/c1ccc(Sc2nnc(C)n2C)o1 ZINC000095809808 HF Annotated Reactive CNC[C@@H]1Oc2ncc(-c3cc4ccccc4o3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095853915 HF Annotated Anodyne CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@H]23)cc1 ZINC000095864436 HF Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@@H]2[C@H](C#N)N(C(=O)C3CC3)[C@H]2CO)cc1 ZINC000095864463 HF Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@H]2[C@@H](C#N)N(C(=O)C3CC3)[C@H]2CO)cc1 ZINC000095864476 HF Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CN(C(=O)c2ccccc2F)C1 ZINC000095864750 HF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C)CC31CN(C(=O)c2ccccc2F)C1 ZINC000095864875 HF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C)CC31CN(C(=O)c2ccccc2F)C1 ZINC000095864887 HF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CN(C(C)=O)C1 ZINC000095864898 HF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1)CC31CN(C(C)=O)C1 ZINC000095864899 HF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccncc1)CC31CCN(C)CC1 ZINC000095865084 HF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1OC)CC31CN(C)C1 ZINC000095865098 HF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1OC)CC31CN(C)C1 ZINC000095865118 HF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccc(F)cc1)CC31CN(C)C1 ZINC000095865142 HF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccc(F)cc1)CC31CN(C)C1 ZINC000095865143 HF Annotated Anodyne CCCNC(=O)N1CC2(CCN(C)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095865151 HF Annotated Anodyne CCCNC(=O)N1CC2(CCN(C)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095865152 HF Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 ZINC000095866026 HF Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(C)cc4)cc3)[C@H]2C1 ZINC000095866027 HF Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 ZINC000095866028 HF Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(C)cc3)cc1)[C@@H]2CO ZINC000095866029 HF Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095866052 HF Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095866053 HF Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095866054 HF Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(C)cc3)cc1)[C@@H]2CO ZINC000095866100 HF Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 ZINC000095866101 HF Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095866121 HF Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095866123 HF Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095866124 HF Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095866126 HF Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095866128 HF Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095866301 HF Annotated Mild O=C(C1CCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095866303 HF Annotated Mild O=C(C1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095866305 HF Annotated Mild O=C(C1CCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095866330 HF Annotated Mild O=C(C1CCCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095866331 HF Annotated Mild O=C(C1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095866332 HF Annotated Mild O=C(C1CCCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095866333 HF Annotated Mild O=C(C1CCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095866334 HF Annotated Mild C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(OC)cc4)C[C@@H]23)cc1 ZINC000095866343 HF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4ccc(OC)cc4)C[C@@H]23)cc1 ZINC000095866344 HF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(OC)cc4)C[C@@H]23)cc1 ZINC000095866345 HF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(OC)cc4)C[C@H]23)cc1 ZINC000095866348 HF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccc(OC)cc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095866351 HF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4ccc(OC)cc4)C[C@@H]23)cc1 ZINC000095866420 HF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccc(OC)cc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095866421 HF Annotated Anodyne CCCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095866460 HF Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095866461 HF Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095866462 HF Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4ccc(F)cc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095866463 HF Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095866512 HF Annotated Mild CCCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4ccc(F)cc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095866513 HF Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccc(F)cc4)C[C@H]23)cc1 ZINC000095866514 HF Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccc(F)cc4)C[C@H]23)cc1 ZINC000095866515 HF Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2C#N)cc1 ZINC000095866591 HF Annotated Mild COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2CC1CCCC1 ZINC000095866798 HF Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccccc2[C@@H]2[C@@H](C#N)N(C(=O)C3CC3)[C@H]2CO)cc1 ZINC000095866834 HF Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)NC4CCCC4)CC(=O)N3[C@H]2CO)cc1 ZINC000095866836 HF Annotated Mild COC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCCC1 ZINC000095866873 HF Annotated Anodyne Cc1ccc(CN2CC(=O)N3[C@@H](CO)[C@@H](c4ccc(Br)cc4)[C@@H]3C2)cc1 ZINC000095866924 HF Annotated Anodyne Cc1ccc(CN2CC(=O)N3[C@@H](CO)[C@H](c4ccc(Br)cc4)[C@@H]3C2)cc1 ZINC000095866925 HF Annotated Anodyne Cc1ccc(CN2CC(=O)N3[C@H](CO)[C@@H](c4ccc(Br)cc4)[C@@H]3C2)cc1 ZINC000095866926 HF Annotated Anodyne Cc1ccc(CN2CC(=O)N3[C@H](C2)[C@@H](c2ccc(Br)cc2)[C@@H]3CO)cc1 ZINC000095866927 HF Annotated Anodyne Cc1ccc(CN2CC(=O)N3[C@H](CO)[C@H](c4ccc(Br)cc4)[C@@H]3C2)cc1 ZINC000095866928 HF Annotated Anodyne Cc1ccc(CN2CC(=O)N3[C@H](C2)[C@H](c2ccc(Br)cc2)[C@@H]3CO)cc1 ZINC000095866929 HF Annotated Anodyne Cc1ccc(CN2CC(=O)N3[C@H](CO)[C@H](c4ccc(Br)cc4)[C@H]3C2)cc1 ZINC000095866930 HF Annotated Anodyne Cc1ccc(CN2CC(=O)N3[C@H](CO)[C@@H](c4ccc(Br)cc4)[C@H]3C2)cc1 ZINC000095866931 HF Annotated Anodyne O=C1CN(Cc2ccc(F)cc2)C[C@@H]2[C@H](c3ccc(Br)cc3)[C@H](CO)N12 ZINC000095866936 HF Annotated Anodyne O=C(c1cccc(F)c1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1 ZINC000095866985 HF Annotated Anodyne O=C1CN(Cc2ccc(F)cc2)C[C@H]2[C@@H](c3ccc(Br)cc3)[C@@H](CO)N12 ZINC000095866996 HF Annotated Anodyne O=C1CN(Cc2ccc(F)cc2)C[C@H]2[C@H](c3ccc(Br)cc3)[C@H](CO)N12 ZINC000095866997 HF Annotated Anodyne O=C1CN(Cc2ccc(F)cc2)C[C@H]2[C@H](c3ccc(Br)cc3)[C@@H](CO)N12 ZINC000095866998 HF Annotated Anodyne O=C1CN(Cc2ccc(F)cc2)C[C@H]2[C@@H](c3ccc(Br)cc3)[C@H](CO)N12 ZINC000095866999 HF Annotated Anodyne O=C1CN(Cc2ccc(F)cc2)C[C@@H]2[C@H](c3ccc(Br)cc3)[C@@H](CO)N12 ZINC000095867000 HF Annotated Anodyne O=C1CN(Cc2ccc(F)cc2)C[C@@H]2[C@@H](c3ccc(Br)cc3)[C@H](CO)N12 ZINC000095867001 HF Annotated Anodyne O=C1CN(Cc2ccc(F)cc2)C[C@@H]2[C@@H](c3ccc(Br)cc3)[C@@H](CO)N12 ZINC000095867002 HF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095867497 HF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CCN(C(=O)NC(C)C)CC1 ZINC000095867498 HF Annotated Anodyne COc1cccc(CN2CC3(CN(C)C3)c3c([nH]c4cc(OC)ccc34)[C@@H]2CO)c1 ZINC000095867574 HF Annotated Anodyne COc1cccc(CN2CC3(CN(C)C3)c3c(n(C)c4cc(OC)ccc34)[C@H]2CO)c1 ZINC000095867589 HF Annotated Anodyne COc1cccc(CN2CC3(CN(C)C3)c3c(n(C)c4cc(OC)ccc34)[C@@H]2CO)c1 ZINC000095867590 HF Annotated Anodyne COc1cccc(CN2CC3(CN(C)C3)c3c([nH]c4cc(OC)ccc34)[C@H]2CO)c1 ZINC000095867652 HF Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccccc2[C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2C#N)c1 ZINC000095867956 HF Annotated Mild COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cccc(F)c1)CC31CN(C(C)=O)C1 ZINC000095868666 HF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cccc(F)c1)CC31CN(C(C)=O)C1 ZINC000095868667 HF Annotated Anodyne CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@H]23)cc1 ZINC000095869188 HF Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095869201 HF Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)NC4CCCCC4)C[C@@H]23)cc1 ZINC000095869223 HF Annotated Mild O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)NC1CCCC1 ZINC000095869235 HF Annotated Anodyne CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCCC4)C[C@H]23)cc1 ZINC000095869264 HF Annotated Mild Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H]3[C@H](CN3Cc3cc(F)ccc3F)O2)cc1 ZINC000095869282 HF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCC3)C23CN(C(=O)NC(C)C)C3)cc1 ZINC000095869304 HF Annotated Anodyne O=C(C1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)NC1CCCC1 ZINC000095869316 HF Annotated Anodyne CN1c2ccc(C#Cc3cccnc3)cc2[C@H]2[C@H](CCN2C(=O)C2CCC2)[C@@H]1CO ZINC000095869348 HF Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)NC4CCCCC4)C[C@@H]23)cc1 ZINC000095869349 HF Annotated Mild O=C(C1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)NC1CCCC1 ZINC000095869354 HF Annotated Anodyne CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCCC4)C[C@@H]23)cc1 ZINC000095869399 HF Annotated Mild Cc1ccc(S(=O)(=O)NC[C@@H]2CC[C@@H]3[C@@H](CN3Cc3cc(F)ccc3F)O2)cc1 ZINC000095869415 HF Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2CC1CCCC1 ZINC000095869417 HF Annotated Anodyne CC(C)C#Cc1ccc([C@H]2[C@H]3CN(C(=O)NC4CCCCC4)CC(=O)N3[C@H]2CO)cc1 ZINC000095869427 HF Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@H]2[C@H](C#N)N(C(=O)C3CC3)[C@H]2CO)cc1 ZINC000095869437 HF Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095869455 HF Annotated Mild COC(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCCC1 ZINC000095869461 HF Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccccc2[C@@H]2[C@@H](C#N)N(C(=O)C3CC3)[C@@H]2CO)cc1 ZINC000095869464 HF Annotated Mild C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)C3CCC3)C23CN(C(=O)NC(C)C)C3)cc1 ZINC000095869483 HF Annotated Anodyne CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CCCCC4)C[C@H]23)cc1 ZINC000095869527 HF Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)C4CCCCC4)C[C@@H]23)cc1 ZINC000095869528 HF Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)C4CCCCC4)C[C@@H]23)cc1 ZINC000095869529 HF Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)C4CCCCC4)CC(=O)N3[C@H]2CO)cc1 ZINC000095869530 HF Annotated Mild C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(Cc4ccc(C(=O)OC)cc4)C[C@H]23)cc1 ZINC000095871379 HF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(Cc4ccc(C(=O)OC)cc4)C[C@@H]23)cc1 ZINC000095871380 HF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N3C(=O)CN(Cc4ccc(C(=O)OC)cc4)C[C@@H]23)cc1 ZINC000095871381 HF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(Cc4ccc(C(=O)OC)cc4)C[C@@H]23)cc1 ZINC000095871382 HF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N3C(=O)CN(Cc4ccc(C(=O)OC)cc4)C[C@@H]23)cc1 ZINC000095871383 HF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(Cc4ccc(C(=O)OC)cc4)C[C@H]23)cc1 ZINC000095871384 HF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(Cc4ccc(C(=O)OC)cc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095871418 HF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CN(Cc4ccc(C(=O)OC)cc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095871419 HF Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccc(C)c3)cc1)[C@@H]2CO ZINC000095871638 HF Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccc(C)c4)cc3)[C@@H]2C1 ZINC000095871639 HF Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(C)c4)cc3)[C@@H]2C1 ZINC000095871640 HF Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccc(C)c4)cc3)[C@@H]2C1 ZINC000095871641 HF Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccc(C)c3)cc1)[C@@H]2CO ZINC000095871642 HF Annotated Anodyne CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CCCCC4)C[C@@H]23)cc1 ZINC000095871643 HF Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CCCCC4)C[C@H]23)cc1 ZINC000095871644 HF Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CCCCC4)C[C@@H]23)cc1 ZINC000095871645 HF Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@H]3CN(C(=O)C4CCCCC4)CC(=O)N3[C@H]2CO)cc1 ZINC000095871646 HF Annotated Mild C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CCC3)C23CN(C(=O)NC(C)C)C3)cc1 ZINC000095871838 HF Annotated Anodyne COc1ccccc1-c1ccccc1[C@H]1[C@@H](C#N)N(C(=O)C2CCOCC2)[C@@H]1CO ZINC000095872077 HF Annotated Mild COc1ccccc1-c1ccccc1[C@@H]1[C@@H](C#N)N(C(=O)C2CCOCC2)[C@H]1CO ZINC000095872079 HF Annotated Mild COc1ccccc1-c1ccccc1[C@@H]1[C@@H](CO)N(C(=O)C2CCOCC2)[C@H]1C#N ZINC000095872081 HF Annotated Mild COc1ccccc1-c1ccccc1[C@H]1[C@@H](CO)N(C(=O)C2CCOCC2)[C@H]1C#N ZINC000095872083 HF Annotated Mild COc1ccccc1-c1ccccc1[C@H]1[C@@H](C#N)N(C(=O)C2CCOCC2)[C@H]1CO ZINC000095872085 HF Annotated Mild COc1ccccc1-c1ccccc1[C@@H]1[C@H](C#N)N(C(=O)C2CCOCC2)[C@H]1CO ZINC000095872087 HF Annotated Mild CCOC(=O)N1C(=O)C2(CCCCC2)N(c2cccc(S(C)(=O)=O)c2)C1=S ZINC000095872340 HF Annotated Anodyne CCOC(=O)N1C(=O)C2(CCCCC2)N(c2ccccc2S(C)(=O)=O)C1=S ZINC000095872346 HF Annotated Anodyne CC(C)N1C[C@@H](C)[C@H](CN(C)C(=O)OC(C)(C)C)Oc2c(C(N)=O)cccc2C1=O ZINC000095872361 HF Annotated Anodyne CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)C4CCCC4)C[C@@H]23)cc1 ZINC000095873198 HF Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)C4CCCC4)CCCCN3[C@H]2CO)cc1 ZINC000095873199 HF Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)C4CCCC4)C[C@@H]23)cc1 ZINC000095873200 HF Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)C4CCCC4)C[C@@H]23)cc1 ZINC000095873201 HF Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)C4CCCC4)C[C@@H]23)cc1 ZINC000095873202 HF Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)C4CCCC4)C[C@H]23)cc1 ZINC000095873203 HF Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)C4CCCC4)CCCCN3[C@H]2CO)cc1 ZINC000095873204 HF Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)C4CCCC4)C[C@H]23)cc1 ZINC000095873205 HF Annotated Mild O=C(C1CC1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3(O)CCCC3)cc1)[C@@H]2CO ZINC000095873206 HF Annotated Mild O=C(C1CC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095873207 HF Annotated Mild O=C(C1CC1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3(O)CCCC3)cc1)[C@@H]2CO ZINC000095873208 HF Annotated Mild O=C(C1CC1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095873209 HF Annotated Mild O=C(C1CC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@H]2C1 ZINC000095873210 HF Annotated Mild O=C(C1CC1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095873211 HF Annotated Mild O=C(C1CC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@@H]2C1 ZINC000095873212 HF Annotated Mild O=C(C1CC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4(O)CCCC4)cc3)[C@H]2C1 ZINC000095873213 HF Annotated Mild COCC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095873983 HF Annotated Anodyne COCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095873984 HF Annotated Anodyne COCC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095873985 HF Annotated Anodyne COCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095873986 HF Annotated Anodyne COCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095873987 HF Annotated Anodyne COCC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095873988 HF Annotated Anodyne COCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(OC)cc4)cc3)[C@@H]2C1 ZINC000095874004 HF Annotated Anodyne COCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccc(OC)cc4)cc3)[C@@H]2C1 ZINC000095874005 HF Annotated Anodyne COCC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccc(OC)cc3)cc1)[C@@H]2CO ZINC000095874006 HF Annotated Anodyne COCC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccc(OC)cc4)cc3)[C@@H]2C1 ZINC000095874007 HF Annotated Anodyne COCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(OC)cc4)cc3)[C@H]2C1 ZINC000095874008 HF Annotated Anodyne COCC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccc(OC)cc3)cc1)[C@@H]2CO ZINC000095874009 HF Annotated Anodyne CC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4F)cc3)[C@@H]2C1 ZINC000095874087 HF Annotated Mild CC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3F)cc1)[C@@H]2CO ZINC000095874088 HF Annotated Mild CC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4F)cc3)[C@@H]2C1 ZINC000095874089 HF Annotated Mild CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4F)cc3)[C@@H]2C1 ZINC000095874090 HF Annotated Mild CC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3F)cc1)[C@@H]2CO ZINC000095874091 HF Annotated Mild CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4F)cc3)[C@@H]2C1 ZINC000095874092 HF Annotated Mild CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4F)cc3)[C@H]2C1 ZINC000095874093 HF Annotated Mild CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4F)cc3)[C@H]2C1 ZINC000095874094 HF Annotated Mild COCC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(Cc4cccnc4)C[C@@H]23)cc1 ZINC000095874615 HF Annotated Mild COCC#Cc1ccc([C@@H]2[C@H]3CN(Cc4cccnc4)CCCCN3[C@H]2CO)cc1 ZINC000095874616 HF Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(Cc4cccnc4)C[C@H]23)cc1 ZINC000095874617 HF Annotated Mild COCC#Cc1ccc([C@H]2[C@H]3CN(Cc4cccnc4)CCCCN3[C@H]2CO)cc1 ZINC000095874618 HF Annotated Mild COCC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(Cc4cccnc4)C[C@@H]23)cc1 ZINC000095874619 HF Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(Cc4cccnc4)C[C@H]23)cc1 ZINC000095874620 HF Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(Cc4cccnc4)C[C@@H]23)cc1 ZINC000095874621 HF Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(Cc4cccnc4)C[C@@H]23)cc1 ZINC000095874622 HF Annotated Mild CN(C)CC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095874850 HF Annotated Anodyne CN(C)CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095874851 HF Annotated Anodyne CN(C)CC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095874852 HF Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095874915 HF Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095874916 HF Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095874917 HF Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095874918 HF Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095874919 HF Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095874920 HF Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(S(C)(=O)=O)CCCCN3[C@H]2CO)cc1 ZINC000095874933 HF Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@H](CO)N3CCCCN(S(C)(=O)=O)C[C@@H]23)cc1 ZINC000095874934 HF Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(S(C)(=O)=O)C[C@H]23)cc1 ZINC000095874935 HF Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(C)(=O)=O)C[C@@H]23)cc1 ZINC000095874936 HF Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H](CO)N3CCCCN(S(C)(=O)=O)C[C@@H]23)cc1 ZINC000095874937 HF Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(S(C)(=O)=O)C[C@@H]23)cc1 ZINC000095874938 HF Annotated Anodyne Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(C)(=O)=O)C[C@H]23)cc1 ZINC000095874939 HF Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(S(C)(=O)=O)CCCCN3[C@H]2CO)cc1 ZINC000095874940 HF Annotated Anodyne OC[C@@H]1[C@H](c2ccc(Br)cc2)[C@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095875307 HF Annotated Anodyne OC[C@H]1[C@H](c2ccc(Br)cc2)[C@H]2CN(Cc3cncnc3)CCCCN21 ZINC000095875308 HF Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(Br)cc2)[C@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095875309 HF Annotated Anodyne OC[C@H]1[C@H](c2ccc(Br)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095875310 HF Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095875311 HF Annotated Anodyne OC[C@@H]1[C@H](c2ccc(Br)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095875312 HF Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@H]2C1 ZINC000095875558 HF Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095875559 HF Annotated Anodyne CCC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095875616 HF Annotated Mild CCC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095875617 HF Annotated Mild CCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095875618 HF Annotated Mild CCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095875619 HF Annotated Mild CCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1 ZINC000095875620 HF Annotated Mild CCC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO ZINC000095875621 HF Annotated Mild CCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095875622 HF Annotated Mild CCC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1 ZINC000095875623 HF Annotated Mild OC[C@H]1[C@@H](c2ccc(-c3cncnc3)cc2)[C@@H]2CN(CC3CCOCC3)CCCCN12 ZINC000095875709 HF Annotated Anodyne CC(C)NC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095876964 HF Annotated Anodyne CC(C)NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095876965 HF Annotated Anodyne CC(C)NC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095876966 HF Annotated Anodyne CC(C)NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095876967 HF Annotated Anodyne CC(C)NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095876968 HF Annotated Anodyne CC(C)NC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095876969 HF Annotated Anodyne CC(C)NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095876970 HF Annotated Anodyne COCC#Cc1ccc([C@H]2[C@H]3CN(Cc4ccncc4)CCCCN3[C@H]2CO)cc1 ZINC000095877057 HF Annotated Mild COCC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(Cc4ccncc4)C[C@@H]23)cc1 ZINC000095877058 HF Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(Cc4ccncc4)C[C@H]23)cc1 ZINC000095877059 HF Annotated Mild COCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(Cc4ccncc4)C[C@H]23)cc1 ZINC000095877060 HF Annotated Mild COCC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(Cc4ccncc4)C[C@@H]23)cc1 ZINC000095877061 HF Annotated Mild O=C(c1cccnc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4cccnc4)cc3[C@H]21 ZINC000095877414 HF Annotated Mild O=C(c1cccnc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4cccnc4)cc3[C@@H]21 ZINC000095877415 HF Annotated Mild Cn1cnc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(-c5ccccc5)cc4[C@@H]32)c1 ZINC000095877718 HF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(-c4ccccc4)ccc2N[C@H]3CO)c1 ZINC000095877719 HF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(-c5ccccc5)cc4[C@@H]32)c1 ZINC000095877720 HF Annotated Anodyne Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(-c5ccccc5)cc4[C@H]32)c1 ZINC000095877721 HF Annotated Anodyne CN1c2ccc(C#Cc3cccnc3)cc2[C@H]2[C@H](CCN2C(=O)c2cccnc2)[C@H]1CO ZINC000095877794 HF Annotated Mild CN1c2ccc(C#Cc3cccnc3)cc2[C@H]2[C@H](CCN2C(=O)c2cccnc2)[C@@H]1CO ZINC000095877795 HF Annotated Mild COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)CN(C)C)[C@H](CO)N3C)c1 ZINC000095877858 HF Annotated Anodyne CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@@H]1CO ZINC000095878133 HF Annotated Anodyne CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@H]1CO ZINC000095878134 HF Annotated Anodyne CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)C2CCOCC2)[C@@H]1CO ZINC000095878135 HF Annotated Anodyne CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)C2CCOCC2)[C@H]1CO ZINC000095878136 HF Annotated Anodyne CC(C)NC(=O)N1CC[C@@H]2[C@H]1c1cc(C#Cc3cccnc3)ccc1N(C)[C@@H]2CO ZINC000095878190 HF Annotated Mild CC(C)NC(=O)N1CC[C@H]2[C@@H]1c1cc(C#Cc3cccnc3)ccc1N(C)[C@H]2CO ZINC000095878191 HF Annotated Mild CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)Cc2cccnc2)[C@H]1CO ZINC000095878275 HF Annotated Anodyne CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)Cc2cccnc2)[C@@H]1CO ZINC000095878276 HF Annotated Anodyne O=C(c1ccccn1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4cccnc4)cc3[C@@H]21 ZINC000095878393 HF Annotated Mild O=C(c1ccccn1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4cccnc4)cc3[C@H]21 ZINC000095878394 HF Annotated Mild O=C(c1ccccn1)N1CC[C@@H]2[C@H]1c1cc(C#Cc3cccnc3)ccc1N[C@H]2CO ZINC000095878395 HF Annotated Mild O=C(c1ccccn1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4cccnc4)cc3[C@@H]21 ZINC000095878396 HF Annotated Mild O=C(Cc1ccncc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(Br)cc3[C@@H]21 ZINC000095878762 HF Annotated Anodyne O=C(Cc1ccncc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@H]21 ZINC000095878763 HF Annotated Anodyne O=S(=O)(c1ccccc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@@H]21 ZINC000095878785 HF Annotated Anodyne O=S(=O)(c1ccccc1)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N[C@H]2CO ZINC000095878786 HF Annotated Anodyne O=S(=O)(c1ccccc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@H]21 ZINC000095878787 HF Annotated Anodyne O=S(=O)(c1ccccc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(Br)cc3[C@@H]21 ZINC000095878788 HF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)[C@@H]2N1CC1CCCCC1 ZINC000095879283 HF Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N(C)C)[C@H]2N1CC1CCCCC1 ZINC000095879284 HF Annotated Anodyne CN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)Nc1ccccc1 ZINC000095879520 HF Annotated Anodyne CN1[C@H](C(=O)Nc2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]21 ZINC000095879521 HF Annotated Anodyne CCCN1[C@H](C(=O)NCC)[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]21 ZINC000095879943 HF Annotated Anodyne CCCN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCC ZINC000095879944 HF Annotated Anodyne CN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1CCCCC1 ZINC000095880151 HF Annotated Anodyne CN1[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)NC1CCCCC1)[C@@H]2CO ZINC000095880152 HF Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2CCC ZINC000095880444 HF Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCC ZINC000095880445 HF Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]2N1CC ZINC000095881260 HF Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]2N1CC ZINC000095881261 HF Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)NCC)[C@@H]2CO ZINC000095881445 HF Annotated Anodyne C[C@H](NC(=O)[C@H]1N[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]2[C@@H]1CO)c1ccccc1 ZINC000095884606 HF Annotated Anodyne C[C@@H](NC(=O)[C@H]1N[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]2[C@@H]1CO)c1ccccc1 ZINC000095884607 HF Annotated Anodyne C[C@H](NC(=O)[C@@H]1N[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@H]1CO)c1ccccc1 ZINC000095884608 HF Annotated Anodyne C[C@@H](NC(=O)[C@@H]1N[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@H]1CO)c1ccccc1 ZINC000095884609 HF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095889108 HF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095889109 HF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095889110 HF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095889111 HF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095889112 HF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095889113 HF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095889114 HF Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095889115 HF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095892258 HF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095892259 HF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 ZINC000095892260 HF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095892261 HF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095892262 HF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21 ZINC000095892263 HF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 ZINC000095892264 HF Annotated Anodyne CN1C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@H]21 ZINC000095892265 HF Annotated Anodyne O=C(C1CCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccn1 ZINC000095893424 HF Annotated Anodyne O=C(C1CCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccn1 ZINC000095893425 HF Annotated Anodyne O=C(C1CCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccn1 ZINC000095893426 HF Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1 ZINC000095893519 HF Annotated Anodyne COc1ccccc1NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1 ZINC000095893520 HF Annotated Anodyne COc1ccccc1NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1 ZINC000095893521 HF Annotated Anodyne COc1ccccc1NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1 ZINC000095893522 HF Annotated Anodyne O=C(c1ccncc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F ZINC000095893547 HF Annotated Anodyne O=C(c1ccncc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F ZINC000095893548 HF Annotated Anodyne O=C(c1ccncc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F ZINC000095893549 HF Annotated Anodyne O=C(c1ccncc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F ZINC000095893550 HF Annotated Anodyne COCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)Nc3ccccc3Cl)C[C@H]21 ZINC000095893596 HF Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3ccccc3Cl)C[C@@H]21 ZINC000095893597 HF Annotated Anodyne COCC(=O)N1[C@@H]2CN(C(=O)Nc3ccccc3Cl)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893598 HF Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3ccccc3Cl)C[C@@H]21 ZINC000095893599 HF Annotated Anodyne COc1ccccc1CN1[C@H](CO)[C@H]2c3ccccc3N(C(=O)C3CCOCC3)C[C@H]21 ZINC000095893792 HF Annotated Anodyne COc1ccccc1CN1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CCOCC3)C[C@@H]21 ZINC000095893793 HF Annotated Anodyne COc1ccccc1CN1[C@@H]2CN(C(=O)C3CCOCC3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893794 HF Annotated Anodyne COc1ccccc1CN1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)C3CCOCC3)C[C@@H]21 ZINC000095893795 HF Annotated Anodyne O=C(c1ccccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCCC1 ZINC000095893814 HF Annotated Anodyne O=C(c1ccccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCCC1 ZINC000095893815 HF Annotated Anodyne O=C(c1ccccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCCC1 ZINC000095893816 HF Annotated Anodyne O=C(c1ccccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCCC1 ZINC000095893817 HF Annotated Anodyne O=C(c1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095893919 HF Annotated Anodyne O=C(c1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095893921 HF Annotated Anodyne O=C(c1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095894041 HF Annotated Anodyne O=C(c1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095894162 HF Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccn1 ZINC000095894184 HF Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccn1 ZINC000095894185 HF Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccn1 ZINC000095894186 HF Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccn1 ZINC000095894187 HF Annotated Anodyne O=C(c1ccccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccc1 ZINC000095894248 HF Annotated Anodyne O=C(c1ccccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccc1 ZINC000095894249 HF Annotated Anodyne O=C(c1ccccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccc1 ZINC000095894250 HF Annotated Anodyne O=C(c1ccccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccc1 ZINC000095894251 HF Annotated Anodyne O=C(c1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095894259 HF Annotated Anodyne O=C(c1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095894260 HF Annotated Anodyne O=C(c1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccncc1 ZINC000095894261 HF Annotated Anodyne O=C(c1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccncc1 ZINC000095894262 HF Annotated Anodyne O=C(c1cccnc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCCC1 ZINC000095894322 HF Annotated Anodyne O=C(c1cccnc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCCC1 ZINC000095894323 HF Annotated Anodyne O=C(c1cccnc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCCC1 ZINC000095894324 HF Annotated Anodyne O=C(c1cccnc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCCC1 ZINC000095894325 HF Annotated Anodyne O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccc1 ZINC000095894394 HF Annotated Anodyne O=C(CC(F)(F)F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccc1 ZINC000095894395 HF Annotated Anodyne O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccc1 ZINC000095894396 HF Annotated Anodyne O=C(CC(F)(F)F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccc1 ZINC000095894397 HF Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1Cl ZINC000095894412 HF Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1Cl ZINC000095894413 HF Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1Cl ZINC000095894414 HF Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1Cl ZINC000095894415 HF Annotated Anodyne O=C(C1CCOCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1F ZINC000095894460 HF Annotated Anodyne O=C(C1CCOCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1F ZINC000095894461 HF Annotated Anodyne O=C(C1CCOCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1F ZINC000095894462 HF Annotated Anodyne CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894467 HF Annotated Anodyne CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894468 HF Annotated Anodyne CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894469 HF Annotated Anodyne CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccc2c(c1)OCO2 ZINC000095894470 HF Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCOCC1 ZINC000095894576 HF Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCOCC1 ZINC000095894577 HF Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095894578 HF Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095894579 HF Annotated Anodyne COc1ccccc1C(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2CC1CCOCC1 ZINC000095894682 HF Annotated Anodyne COc1ccccc1C(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2CC1CCOCC1 ZINC000095894683 HF Annotated Anodyne COc1ccccc1C(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2CC1CCOCC1 ZINC000095894684 HF Annotated Anodyne O=C(C1CCCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccn1 ZINC000095894722 HF Annotated Anodyne O=C(C1CCCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccn1 ZINC000095894723 HF Annotated Anodyne O=C(C1CCCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccn1 ZINC000095894724 HF Annotated Anodyne COc1ccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@H](CO)N3C(=O)NC(C)C)cc1 ZINC000095894741 HF Annotated Anodyne COc1ccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@@H](CO)N3C(=O)NC(C)C)cc1 ZINC000095894742 HF Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@@H](CO)N3C(=O)NC(C)C)cc1 ZINC000095894743 HF Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@H](CO)N3C(=O)NC(C)C)cc1 ZINC000095894744 HF Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095894745 HF Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095894746 HF Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)CC1CC1 ZINC000095894747 HF Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)CC1CC1 ZINC000095894748 HF Annotated Anodyne N#C[C@@H]1[C@@H](c2ccc(C#CC3CC3)cc2)[C@@H](CO)N1S(=O)(=O)Cc1ccccc1 ZINC000095896223 HF Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N(C(=O)C4CC4)[C@H]3C#N)cc2)cc1 ZINC000095897447 HF Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)C4CC4)[C@@H]3CO)cc2)cc1 ZINC000095897448 HF Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CC4)[C@H]3CO)cc2)cc1 ZINC000095897449 HF Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H](C#N)N(C(=O)C4CC4)[C@H]3CO)cc2)cc1 ZINC000095897450 HF Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H](C#N)N(C(=O)C4CC4)[C@H]3CO)cc2)cc1 ZINC000095897451 HF Annotated Mild COc1ccccc1-c1ccc([C@H]2[C@@H](C#N)N(C(=O)C3CCOCC3)[C@H]2CO)cc1 ZINC000095897516 HF Annotated Mild COc1ccccc1-c1ccc([C@@H]2[C@@H](C#N)N(C(=O)C3CCOCC3)[C@H]2CO)cc1 ZINC000095897517 HF Annotated Mild COc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CCOCC3)[C@H]2C#N)cc1 ZINC000095897518 HF Annotated Mild COc1ccccc1-c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCOCC3)[C@H]2C#N)cc1 ZINC000095897519 HF Annotated Mild N#C[C@@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H](CO)N1C(=O)C1CCOCC1 ZINC000095897541 HF Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H](CO)N1C(=O)C1CCOCC1 ZINC000095897542 HF Annotated Mild N#C[C@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H](CO)N1C(=O)C1CCOCC1 ZINC000095897543 HF Annotated Mild COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N(C(=O)C4CCOCC4)[C@H]3C#N)cc2)cc1 ZINC000095897737 HF Annotated Mild COc1ccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CCOCC4)[C@H]3CO)cc2)cc1 ZINC000095897738 HF Annotated Mild COc1ccc(-c2ccc([C@H]3[C@@H](CO)N(C(=O)C4CCOCC4)[C@H]3C#N)cc2)cc1 ZINC000095897739 HF Annotated Mild CCCNC(=O)N1[C@@H](C#N)[C@H](c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)[C@@H]1CO ZINC000095897827 HF Annotated Mild CCCNC(=O)N1[C@@H](C#N)[C@@H](c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)[C@@H]1CO ZINC000095897828 HF Annotated Mild CCCNC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)[C@@H]1C#N ZINC000095897829 HF Annotated Mild CCCNC(=O)N1[C@H](C#N)[C@@H](c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)[C@@H]1CO ZINC000095897830 HF Annotated Mild CCCNC(=O)N1[C@H](C#N)[C@H](c2ccc(-c3ccc(C(=O)N(C)C)cc3)cc2)[C@H]1CO ZINC000095897831 HF Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CC4)[C@H]3CO)cc2)c1 ZINC000095898185 HF Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)C4CC4)[C@@H]3CO)cc2)c1 ZINC000095898186 HF Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H](C#N)N(C(=O)C4CC4)[C@H]3CO)cc2)c1 ZINC000095898187 HF Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)C4CC4)[C@H]3CO)cc2)c1 ZINC000095898188 HF Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N(C(=O)C4CC4)[C@H]3C#N)cc2)c1 ZINC000095898189 HF Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CC4)[C@@H]3CO)cc2)c1 ZINC000095898190 HF Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](CO)N(C(=O)C4CC4)[C@H]3C#N)cc2)c1 ZINC000095898191 HF Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#Cc3cccc(F)c3)cc2)[C@H](CO)N1C(=O)C1CCOCC1 ZINC000095898204 HF Annotated Mild N#C[C@H]1[C@H](c2ccc(C#Cc3cccc(F)c3)cc2)[C@@H](CO)N1C(=O)C1CCOCC1 ZINC000095898205 HF Annotated Mild N#C[C@H]1[C@@H](c2ccc(C#Cc3cccc(F)c3)cc2)[C@@H](CO)N1C(=O)C1CCOCC1 ZINC000095898206 HF Annotated Mild COc1cccc(C#Cc2ccc([C@@H]3[C@@H](CO)N(C(=O)c4ccccn4)[C@H]3C#N)cc2)c1 ZINC000095898233 HF Annotated Mild COc1cccc(C#Cc2ccc([C@@H]3[C@@H](C#N)N(C(=O)c4ccccn4)[C@H]3CO)cc2)c1 ZINC000095898234 HF Annotated Mild Cc1ccccc1S(=O)(=O)N1[C@H](CO)[C@@H](c2ccc(C#CC3CC3)cc2)[C@@H]1C#N ZINC000095898241 HF Annotated Mild Cc1ccccc1S(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CC3CC3)cc2)[C@@H]1CO ZINC000095898242 HF Annotated Mild COc1ccc(C[C@@H]2CCn3cc(nn3)COC[C@@H](c3ccccc3)NC2=O)cc1 ZINC000095898348 HF Annotated Anodyne COc1ccc(C[C@H]2CCn3cc(nn3)COC[C@H](c3ccccc3)NC2=O)cc1 ZINC000095898349 HF Annotated Anodyne COc1ccc(C[C@H]2CCc3cnnn3COC[C@H](c3ccccc3)NC2=O)cc1 ZINC000095898419 HF Annotated Anodyne COc1ccc(C[C@@H]2CCc3cnnn3COC[C@H](c3ccccc3)NC2=O)cc1 ZINC000095898420 HF Annotated Anodyne COc1ccc(C[C@@H]2CCc3cnnn3COC[C@@H](c3ccccc3)NC2=O)cc1 ZINC000095898422 HF Annotated Anodyne COc1ccc(C[C@H]2CCc3cnnn3COC[C@@H](Cc3ccccc3)NC2=O)cc1 ZINC000095898427 HF Annotated Anodyne COc1ccc(C[C@H]2CCc3cnnn3COC[C@H](Cc3ccccc3)NC2=O)cc1 ZINC000095898428 HF Annotated Anodyne COc1ccc(C[C@@H]2CCc3cnnn3COC[C@@H](Cc3ccccc3)NC2=O)cc1 ZINC000095898429 HF Annotated Anodyne COc1ccc(C[C@@H]2CCc3cnnn3COC[C@H](Cc3ccccc3)NC2=O)cc1 ZINC000095898430 HF Annotated Anodyne COc1ccc(C[C@@H]2CCn3cc(nn3)COC[C@H](Cc3ccccc3)NC2=O)cc1 ZINC000095898431 HF Annotated Anodyne COc1ccc(C[C@H]2CCn3cc(nn3)COC[C@H](Cc3ccccc3)NC2=O)cc1 ZINC000095898432 HF Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900219 HF Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900220 HF Annotated Anodyne O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900221 HF Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900222 HF Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900223 HF Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900224 HF Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900225 HF Annotated Anodyne CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccccc3F)O[C@H](CO)[C@@H]1O2 ZINC000095900334 HF Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccccc3F)O[C@@H](CO)[C@@H]1O2 ZINC000095900335 HF Annotated Clean CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3ccccc3F)O[C@H](CO)[C@H]1O2 ZINC000095900336 HF Annotated Clean COC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900509 HF Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900881 HF Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900882 HF Annotated Anodyne O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900883 HF Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900884 HF Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900885 HF Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900886 HF Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900887 HF Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095901307 HF Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095901308 HF Annotated Anodyne O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095901309 HF Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095901310 HF Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1 ZINC000095901311 HF Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1 ZINC000095901312 HF Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095901313 HF Annotated Anodyne CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)N3CCc4ccccc4C3)O[C@@H](CO)[C@H]1O2 ZINC000095901732 HF Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@H](CO)[C@@H]1O2 ZINC000095901733 HF Annotated Clean CN(C)c1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@@H](CO)[C@H]1O2 ZINC000095901734 HF Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCc4ccccc4C3)O[C@H](CO)[C@@H]1O2 ZINC000095901735 HF Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@H](CC(=O)N3CCc4ccccc4C3)O[C@@H](CO)[C@@H]1O2 ZINC000095901736 HF Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@@H](CO)[C@@H]1O2 ZINC000095901737 HF Annotated Clean COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095901942 HF Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095901943 HF Annotated Anodyne COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095901944 HF Annotated Anodyne COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095901945 HF Annotated Anodyne COC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095901946 HF Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095901947 HF Annotated Anodyne CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCc3cccc(F)c3)O[C@@H](CO)[C@H]1O2 ZINC000095903161 HF Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3cccc(F)c3)O[C@H](CO)[C@@H]1O2 ZINC000095903163 HF Annotated Clean CN(C)c1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCc3cccc(F)c3)O[C@@H](CO)[C@H]1O2 ZINC000095903166 HF Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3cccc(F)c3)O[C@H](CO)[C@@H]1O2 ZINC000095903168 HF Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3cccc(F)c3)O[C@@H](CO)[C@@H]1O2 ZINC000095903170 HF Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3cccc(F)c3)O[C@@H](CO)[C@@H]1O2 ZINC000095903171 HF Annotated Clean O=C(Nc1ccccc1F)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903296 HF Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903297 HF Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903298 HF Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903299 HF Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903302 HF Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903303 HF Annotated Anodyne O=C(Nc1ccccc1F)N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903305 HF Annotated Anodyne O=C(Nc1ccccc1F)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903307 HF Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903847 HF Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903848 HF Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903849 HF Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903850 HF Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903851 HF Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903852 HF Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@H]1CO ZINC000095903853 HF Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@@H]1CO ZINC000095903854 HF Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095903989 HF Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095903990 HF Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095903991 HF Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095903992 HF Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095903993 HF Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095903994 HF Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095903995 HF Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095903996 HF Annotated Anodyne O=C(Nc1ccccc1)N[C@@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@H]1CO ZINC000095904847 HF Annotated Anodyne O=C(Nc1ccccc1)N[C@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@H]1CO ZINC000095904848 HF Annotated Anodyne O=C(Nc1ccccc1)N[C@@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO ZINC000095904849 HF Annotated Anodyne O=C(Nc1ccccc1)N[C@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO ZINC000095904850 HF Annotated Anodyne O=C(Nc1ccccc1)N[C@@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@H]1CO ZINC000095904851 HF Annotated Anodyne O=C(Nc1ccccc1)N[C@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO ZINC000095904852 HF Annotated Anodyne O=C(Nc1ccccc1)N[C@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@H]1CO ZINC000095904853 HF Annotated Anodyne O=C(Nc1ccccc1)N[C@@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO ZINC000095904854 HF Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095907672 HF Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095907673 HF Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095907674 HF Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095907675 HF Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2ccccc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095907676 HF Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095907677 HF Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2ccccc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095907678 HF Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095907679 HF Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](OS(=O)(=O)O)[C@@]2(C)CO)[C@@H]1CCC1=CCOC1=O ZINC000095910424 HF Annotated Mild in-vitro biogenic CCO[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3O)[C@@]13[C@@H](OC)CC[C@@]4(C)CN(CC)[C@@H]1[C@@H]2C[C@@H]34 ZINC000095911409 HF Annotated Anodyne in-vitro biogenic C/C(=C\CC/C(C)=C/COc1ccc(CCNC(=O)/C=C/S(C)(=O)=O)cc1)CO ZINC000095911606 HF Annotated Anodyne in-vitro biogenic COC1=C(OC)C(=O)[C@@]23C(=C1)C[C@@H](C)[C@]2(C)[C@@H](O)c1cc2c(c(OC)c13)OCO2 ZINC000095911888 HF Annotated Mild in-vitro biogenic COc1cc(C(=O)O[C@@H]2CC(C)=C[C@@H](O)[C@@]3(C)C(=O)C[C@](O)(C(C)C)[C@H]23)ccc1O ZINC000095912665 HF Annotated Anodyne in-vitro biogenic CC1(C)OC[C@]2(O1)[C@H](OC(=O)c1ccccc1)C=C[C@H](OC(=O)c1ccccc1)[C@H]2O ZINC000095912686 HF Annotated Anodyne in-vitro biogenic COC(=O)[C@@]1(C)C(=O)C=C[C@@]2(C)c3c(O)cc(C(C)C)cc3[C@H](O)[C@@H](OC(C)=O)[C@@H]12 ZINC000095912779 HF Annotated Mild in-vitro biogenic COc1cc(OC)c2c(c1)OC(=O)[C@@H]1[C@H]3C(=O)Oc4cc(OC)cc(OC)c4[C@@H]3[C@H]21 ZINC000095912859 HF Annotated Anodyne in-vitro biogenic COc1cc(OC)c2c(c1)OC(=O)C1C2C2C(=O)Oc3cc(OC)cc(OC)c3C12 ZINC000095912860 HF Annotated Anodyne in-vitro biogenic CO[C@H]1C2=C(C(=O)C(O)=C([C@@H](C)COC(C)=O)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1O ZINC000095913323 HF Annotated Mild in-vitro biogenic CC(=O)O[C@H]1CCC(C)(C)[C@@H](C(=O)O)[C@@]12COC(=O)[C@@]13C[C@@H](CC[C@H]12)[C@H](C)C3=O ZINC000095913445 HF Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@]2(CO2)[C@](O)(CCCc2ccoc2)[C@]23CCC[C@](C)(C(=O)OC2)[C@H]13 ZINC000095913868 HF Annotated Anodyne in-vitro biogenic N=C(N)N/N=C1\CCCc2cc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)ccc21 ZINC000095920501 HF Annotated Anodyne in-vitro NCCCCC(=O)N[C@H]1Cc2ccccc2[C@H]1Cc1ccc2c(c1C(=O)O)OCO2 ZINC000095920904 HF Annotated Anodyne NCCCCCC(=O)N[C@H]1Cc2ccccc2[C@@H]1Cc1ccc2c(c1C(=O)O)OCO2 ZINC000095920905 HF Annotated Anodyne CCC(C)(C)c1nn(CCO)c2c1N=C(c1ccc(-n3ccnc3C)cc1)CNC2=O ZINC000095921182 HF Annotated Anodyne CCO[C@@H](O)[C@H]1CCC/C=C/CCNC(=O)c2c(O)cc(O)c(Cl)c2CC1=O ZINC000095921250 HF Annotated Anodyne CCOc1cc2c(-c3ccc(C)c(S(N)(=O)=O)c3)n[nH]c2cc1-c1cnn(C)c1 ZINC000095921259 HF Annotated Anodyne CNc1nc2c(CCNCC34CC5CC(CC(C5)C3)C4)c3nc(N)[nH]c(=O)c3cc2[nH]1 ZINC000095921285 HF Annotated Anodyne Cc1c(-c2nc3c(OCC4CCCCC4)nc(N)nc3[nH]2)cccc1S(N)(=O)=O ZINC000095921383 HF Annotated Anodyne CC(C)CNS(=O)(=O)/C=C/c1cc2c(cc1CNC(=O)OC(C)(C)C)OCO2 ZINC000096019096 HF Annotated Anodyne CN1Cc2nnn(Cc3ccccc3)c2-c2cc(N3CCCC3)ccc2S1(=O)=O ZINC000096019364 HF Annotated Anodyne CC(C)[C@@H](CO)N1Cc2nnn(Cc3ccccc3)c2-c2ccccc2S1(=O)=O ZINC000096019387 HF Annotated Anodyne C#CCN([C@H](C(=O)OC)[C@H](C)CC)S(=O)(=O)c1ccccc1Br ZINC000096019424 HF Annotated Anodyne C#CCN([C@H](C(=O)OC)[C@@H](C)CC)S(=O)(=O)c1ccccc1Br ZINC000096019426 HF Annotated Anodyne C#CCCN([C@H](C(=O)OC)C(C)C)S(=O)(=O)c1ccccc1Br ZINC000096019961 HF Annotated Anodyne C#CCCN([C@H](C(=O)OC)C(C)C)S(=O)(=O)c1ccc(F)cc1Br ZINC000096019965 HF Annotated Anodyne CN1[C@H](Cc2ccccc2)COc2cccc(N3CCSCC3)c2S1(=O)=O ZINC000096020523 HF Annotated Anodyne CN1[C@H](Cc2ccccc2)COc2cc(N3CCSCC3)ccc2S1(=O)=O ZINC000096020524 HF Annotated Anodyne CN1[C@@H](Cc2ccccc2)COc2cccc(N3CCSCC3)c2S1(=O)=O ZINC000096020525 HF Annotated Anodyne C=CCN1C[C@H](COC(=O)c2cccc(C)c2)Oc2cccc(F)c2S1(=O)=O ZINC000096021209 HF Annotated Anodyne C=CCN1C[C@H](COC(=O)c2cccc(OC)c2)Oc2cccc(F)c2S1(=O)=O ZINC000096021210 HF Annotated Anodyne COc1ccc(C(C)(C)C)cc1NC(=O)OC[C@@H]1CSCCS(=O)(=O)N1 ZINC000096021268 HF Annotated Anodyne COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2CC=C[C@@]([C@@H](C)OC(C)=O)(C1)[C@H]23 ZINC000096023720 HF Annotated Anodyne CCCCCCCCC/C=C/C(=O)N[C@H]1C[C@@]2(O)C(=O)C=C[C@@H](Cl)[C@@H]2O[C@H]1O ZINC000096085487 HF Annotated Reactive in-vitro CC[C@](C)(O)/C=C(C)/C=C/C1=CC2=C[C@@H]3[C@H](C(C)=O)C(=O)O[C@@]3(C)[C@H](O)C2=CO1 ZINC000096086036 HF Annotated Anodyne in-vitro CC[C@](C)(O)/C=C(C)/C=C/C1=CC2=C[C@H]3[C@H](C(C)=O)C(=O)O[C@@]3(C)[C@H](O)C2=CO1 ZINC000096086038 HF Annotated Anodyne in-vitro C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2[C@@](C)(O)[C@H]2C[C@@H]3[C@@H](C)CO2)[C@](C)(OC(=O)CCC)CC[C@@H]1O ZINC000096086163 HF Annotated Mild O=C(c1ccc2ncccc2c1)N1C[C@@H]2C[C@H](NS(=O)(=O)c3cccs3)[C@H]1C2 ZINC000096095750 HF Annotated Anodyne CC(C)CS(=O)(=O)N[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1 ZINC000096168532 HF Annotated Anodyne CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1 ZINC000096168548 HF Annotated Anodyne CC(C)CS(=O)(=O)N[C@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1 ZINC000096168551 HF Annotated Anodyne CC(=O)N1CC=C(c2nccnc2OC2CN(c3nc4ccccc4s3)C2)CC1 ZINC000096169003 HF Annotated Anodyne C/C(=N\N(C)C(N)=O)c1ccc2ncc(Cc3c(F)cc4ncccc4c3F)n2n1 ZINC000096169126 HF Annotated Reactive C/C(=N\N1CCNC1=O)c1ccc2nnc(C(F)(F)c3ccc4ncccc4c3)n2n1 ZINC000096169148 HF Annotated Mild CNC(=O)N(C)/N=C(\C)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1 ZINC000096169153 HF Annotated Reactive CCN(/N=C(\C)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1)C(N)=O ZINC000096169155 HF Annotated Reactive C/C(=N\N1CCOC1=O)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1 ZINC000096169156 HF Annotated Mild C/C(=N\N(C)C(N)=O)c1ccc2nnc(C(C)(C)c3ccc4ncccc4c3)n2n1 ZINC000096169160 HF Annotated Reactive CC[C@@H](C(=O)O)n1c(=O)c2cnccc2n(Cc2nsc3cc(C)cc(C)c23)c1=O ZINC000096170044 HF Annotated Anodyne CC[C@H](C(=O)O)n1c(=O)c2cnccc2n(Cc2nsc3cc(C)cc(C)c23)c1=O ZINC000096170060 HF Annotated Anodyne N#CN/C(=N\Cc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)N1CCOCC1 ZINC000096170268 HF Annotated Mild C/C(=N\OCCO)c1ccc2ncc([C@H](C)c3c(F)cc4c(cnn4C)c3F)n2n1 ZINC000096170358 HF Annotated Mild C/C(=N\OCCCO)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1 ZINC000096170362 HF Annotated Mild C/C(=N\OC(N)=O)c1ccc2nnc([C@H](C)c3c(F)cc4ncccc4c3F)n2n1 ZINC000096170383 HF Annotated Mild C/C(=N\OC(N)=O)c1ccc2nnc([C@@H](C)c3c(F)cc4ncccc4c3F)n2n1 ZINC000096170384 HF Annotated Mild C[C@@]1(c2cccc(CC(=O)c3cnc(OC[C@H]4CCO4)cn3)c2)CCSC(N)=N1 ZINC000096172046 HF Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1)C(Nc1ccnc(C#N)n1)=NC2 ZINC000096172466 HF Annotated Mild Cc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccccc3)C2)nc(C2CC2)c1Cl ZINC000096173850 HF Annotated Anodyne CCc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccccc3)C2)nc(C2CC2)c1Cl ZINC000096173865 HF Annotated Anodyne CN1CCN(C2=NC(=O)/C(=C/c3ccc(I)cc3)S2)CC1 ZINC000096174731 HF Annotated Clean COC(=O)[C@@H]1C[C@@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN1 ZINC000096174957 HF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(OCCO)c31)[C@H]1CC[C@@H](C2)N1 ZINC000096175325 HF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(OCCO)c31)[C@@H]1CC[C@H](C2)N1 ZINC000096175326 HF Annotated Anodyne CC(C)n1cc(C2=NCc3ccnc(OC4CCOCC4)c32)cc1C(=O)NC1COC1 ZINC000096175983 HF Annotated Anodyne C[C@H]1CN(c2ccncc2CC(=O)c2cccc(-c3ccccc3F)n2)C[C@@H](N)[C@@H]1O ZINC000096177666 HF Annotated Anodyne O=C(Nc1cccnc1N1CCNCC1)c1csc(-c2ccc3c(c2)CCO3)n1 ZINC000096269615 HF Annotated Anodyne Cc1c(CC(=O)O)c(-c2ccccc2)nn1Cc1ccccc1S(=O)(=O)N(C)C ZINC000096270528 HF Annotated Anodyne Cc1ccc2nc(-c3n[nH]cc3Nc3cc(Cl)nc(S(C)(=O)=O)n3)[nH]c2c1 ZINC000096271624 HF Annotated Anodyne CC[C@@H]1C(=O)N(C)c2cnc(-c3cn[nH]c3-c3nccs3)nc2N1c1cn[nH]c1 ZINC000096272660 HF Annotated Anodyne Cc1cnc(-c2cc(Oc3cnc(C(=O)N(C)C)nc3)cc(OC(C)C)c2)[nH]c1=O ZINC000096273760 HF Annotated Anodyne O=c1c([C@H]2Nc3ccccc3S(=O)(=O)N2)coc2ccc(Br)cc12 ZINC000096273805 HF Annotated Anodyne O=c1c([C@@H]2Nc3ccccc3S(=O)(=O)N2)coc2ccc(Br)cc12 ZINC000096273806 HF Annotated Anodyne CNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)[C@H](C)O4)CC2)c(C)c1 ZINC000096274111 HF Annotated Anodyne CNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)[C@@H](C)O4)CC2)c(C)c1 ZINC000096274112 HF Annotated Anodyne CCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)[C@H](C)O4)CC2)cc1 ZINC000096274113 HF Annotated Anodyne CCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)[C@@H](C)O4)CC2)cc1 ZINC000096274114 HF Annotated Anodyne Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)n1 ZINC000096279695 HF Annotated Anodyne Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)n1 ZINC000096279696 HF Annotated Anodyne O=C1[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc2N1Cc1cc(Br)cs1 ZINC000096282264 HF Annotated Anodyne O=C1[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc2N1Cc1ccc(Br)cc1 ZINC000096282265 HF Annotated Anodyne O=C1[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc2N1Cc1cccc(Br)c1 ZINC000096282266 HF Annotated Anodyne COc1ccc(-n2c(S)nnc2-c2csc(N(C(C)=O)C(C)=O)n2)c(OC)c1 ZINC000096282323 HF Annotated Anodyne COC(OC)[C@]1(C)Oc2ccc(N)cc2[C@@H](N/C(=N/C#N)NCc2ccccc2)[C@H]1C ZINC000096283150 HF Annotated Mild COC(OC)[C@]1(C)Oc2ccc(N)cc2[C@@H](N/C(=N/C#N)NCc2ccccc2)[C@@H]1C ZINC000096283151 HF Annotated Mild COC(OC)[C@]1(C)Oc2ccc(N)cc2[C@H](N/C(=N/C#N)NCc2ccccc2)[C@H]1C ZINC000096283152 HF Annotated Mild COC(OC)[C@]1(C)Oc2ccc(N)cc2[C@H](N/C(=N/C#N)NCc2ccccc2)[C@@H]1C ZINC000096283153 HF Annotated Mild CCCCNC(=O)N1CCC(c2cc(C)nn2-c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000096283720 HF Annotated Anodyne COc1ccc(-c2nc(CSc3nc(N)nc(N)n3)cs2)cc1OCCF ZINC000096283887 HF Annotated Anodyne COc1cc(-c2nc(CSc3nc(N)nc(N)n3)cs2)ccc1OCCF ZINC000096283888 HF Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccc(F)cc3)[C@H]4C2=O)cc1 ZINC000096286735 HF Annotated Anodyne N#CC1=C(N)N=C(N2CCOCC2)[C@]12C(=N)OC(c1ccccc1)=C2c1ccccc1 ZINC000096336658 HF Annotated Reactive N#CC1=C(N)N=C(N2CCOCC2)[C@@]12C(=N)OC(c1ccccc1)=C2c1ccccc1 ZINC000096336660 HF Annotated Reactive CNC(=O)c1c(O)c2c(c3c1O[C@@]1(C)OC[C@H](C)[C@H]1C3)O[C@@]1(C)OC[C@H](C)[C@H]1C2 ZINC000096900513 HF Annotated Anodyne CS(=O)(=O)c1ccc(-n2ccnc2)c(NC(=O)c2cnc(-c3ccccc3)nc2)c1 ZINC000096903457 HF Annotated Anodyne CN1C[C@H](c2ccc(F)c(F)c2)[C@]2(SC(=O)NC2=O)[C@]12C(=O)Nc1ccccc12 ZINC000096903542 HF Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)[C@@H](O)/C(=C/c3ccc(Cl)cc3)C(=O)[C@@]21C ZINC000096903884 HF Annotated Mild CC(=O)c1ccc([C@H]2C[C@@]34CN(C(=O)OC(C)(C)C)S(=O)(=O)[C@H]3C[C@@H]2O4)cc1 ZINC000096904387 HF Annotated Anodyne CCCCN1C(=O)C[S@](=O)[C@H]1c1ccc(OCCN(C)c2ccccn2)cc1 ZINC000096906206 HF Annotated Anodyne CCCCN1C(=O)C[S@](=O)[C@@H]1c1ccc(OCCN(C)c2ccccn2)cc1 ZINC000096906207 HF Annotated Anodyne CCCCN1C(=O)C[S@@](=O)[C@H]1c1ccc(OCCN(C)c2ccccn2)cc1 ZINC000096906208 HF Annotated Anodyne CCCCN1C(=O)C[S@@](=O)[C@@H]1c1ccc(OCCN(C)c2ccccn2)cc1 ZINC000096906209 HF Annotated Anodyne O=S(=O)(c1ccc(C(O)(F)F)cc1)N1[C@H]2c3c[nH]nc3C[C@@H]1c1cccc(F)c12 ZINC000096906457 HF Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@H]2c3c[nH]nc3C[C@@H]1c1scnc12 ZINC000096906471 HF Annotated Anodyne CCCCN1C(=O)CS(=O)(=O)[C@H]1c1ccc(OCCN(C)c2ccccn2)cc1 ZINC000096906732 HF Annotated Anodyne CCCCN1C(=O)CS(=O)(=O)[C@@H]1c1ccc(OCCN(C)c2ccccn2)cc1 ZINC000096906733 HF Annotated Anodyne COc1ccc(Cn2cc(C(=O)N3CCOCC3)c(=O)c3c(F)ccc(F)c32)cc1 ZINC000096906817 HF Annotated Anodyne COc1ccc(Cn2cc(/C(O)=N/S(C)(=O)=O)c(=O)c3c(F)ccc(F)c32)cc1 ZINC000096906822 HF Annotated Mild O=C(CSc1nnc(NC(=O)CCl)s1)Nc1ccc(Br)cn1 ZINC000096908514 HF Annotated Reactive CN1CCC2=C[C@H](OC(=O)n3cccc3)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@@H]21)OCO5 ZINC000096908970 HF Annotated Anodyne CCOC(=O)[C@@H]1CS[C@@]2(C(=O)N(C)c3ccccc32)N1C(=O)C1CCCCC1 ZINC000096908998 HF Annotated Anodyne CCOC(=O)[C@@H]1CS[C@]2(N1)C(=O)N(C(=O)c1ccc(Cl)cc1)c1ccccc12 ZINC000096909001 HF Annotated Anodyne CCO[C@H]1C[C@@H]2c3cc4c(cc3C(=O)N(CC)[C@H]2[C@H](OCC)[C@@H]1OCC)OCO4 ZINC000096909471 HF Annotated Anodyne C=CCO[C@H]1C=C2c3cc4c(cc3C(=O)N(CC=C)[C@H]2[C@@H]2OC(C)(C)O[C@H]12)OCO4 ZINC000096909476 HF Annotated Mild CCO[C@H]1C=C2c3cc4c(cc3C(=O)N(CC)[C@H]2[C@H](OCC)[C@@H]1OCC)OCO4 ZINC000096909482 HF Annotated Anodyne C[C@@]1(CCc2ccccc2)OC(=O)c2c1ccn(-c1ccc(S(N)(=O)=O)cc1)c2=O ZINC000096909491 HF Annotated Anodyne C[C@]1(CCc2ccccc2)OC(=O)c2c1ccn(-c1ccc(S(N)(=O)=O)cc1)c2=O ZINC000096909494 HF Annotated Anodyne Cc1cc(C)c2c(=O)n(CCN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)sc2n1 ZINC000096910912 HF Annotated Bother CCOC(=O)c1ccc2c(c1)[n+]([O-])c(C(=O)c1cccs1)c(C(F)(F)F)[n+]2[O-] ZINC000096911062 HF Annotated Anodyne CCOC(=O)N1CCC(CN2CCC3(CC2)CC(=O)N(C)c2ncccc23)CC1 ZINC000096913562 HF Annotated Anodyne O=C(O[C@@H]1CSS(=O)(=O)C1)c1cc(Br)ccc1Br ZINC000096914519 HF Annotated Reactive O=C(O[C@H]1CSS(=O)(=O)C1)c1cc(Br)ccc1Br ZINC000096914520 HF Annotated Reactive Cc1ccc(N2CCc3c(NS(=O)(=O)c4ccccc4F)n[nH]c3C2=O)cc1 ZINC000096916181 HF Annotated Anodyne CC(=O)Oc1ccc(/C=C/S(=O)(=O)NCc2ccc(C)cc2)cc1OC(C)=O ZINC000096917410 HF Annotated Anodyne COc1ccc(CNS(=O)(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1 ZINC000096917412 HF Annotated Anodyne C[C@H](Nc1nccn2c(-c3ccc(O)cc3)cnc12)c1ccc(S(N)(=O)=O)cc1 ZINC000096917509 HF Annotated Anodyne C[C@@H](Nc1nccn2c(-c3ccc(O)cc3)cnc12)c1ccc(S(N)(=O)=O)cc1 ZINC000096917511 HF Annotated Anodyne O=C1[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc2N1Cc1c(F)c(F)c(F)c(F)c1F ZINC000096917685 HF Annotated Anodyne COc1cccc2[nH]cc(S(=O)(=O)N3CCN(C(=O)c4ccccc4)C[C@@H]3C)c12 ZINC000096917694 HF Annotated Anodyne COc1cc(-c2c3c(nc4ncnn24)-c2ccccc2C(=O)C3=O)cc(OC)c1OC ZINC000096917775 HF Annotated Clean C[C@H]1CN(C(=O)c2cc3ccccc3o2)CCN1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000096921533 HF Annotated Anodyne CCOC(=O)c1sc(NC(=O)c2ccccc2NS(C)(=O)=O)c(C#N)c1C ZINC000096922927 HF Annotated Mild CCOC(=O)c1sc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c(C#N)c1C ZINC000096922929 HF Annotated Mild O=c1cc(-n2c(/C=C/c3ccccc3)nc3sc4c(c3c2=O)CCCC4)[nH]c(=O)[nH]1 ZINC000096922945 HF Annotated Anodyne Cn1cccc1/C=C1\CCCc2c1nc1c(c2-c2cccn2C)c(=O)n(C)c(=O)n1C ZINC000096923281 HF Annotated Anodyne COC(=O)[C@H](CCSC)NC(=O)CCSc1nnc2sc3ccccc3n12 ZINC000096927372 HF Annotated Anodyne COC(=O)[C@H](CCSC)NC(=O)CCn1nc2sc3ccccc3n2c1=S ZINC000096927376 HF Annotated Anodyne CCOC(=O)C1=C(C(=O)OCC)N(c2ccc(O)cc2)CN(c2ccc(O)cc2)C1 ZINC000096927606 HF Annotated Anodyne NC(=N/C(=O)c1ccc(C(=O)NCc2ccccc2)o1)/N=C(\O)OCc1ccccc1 ZINC000096928155 HF Annotated Mild Cc1noc(-c2ccc(N3C[C@H](CI)OC3=O)cc2F)n1 ZINC000096928815 HF Annotated Reactive Cc1noc(-c2ccc(N3C[C@@H](CI)OC3=O)cc2F)n1 ZINC000096928816 HF Annotated Reactive COc1cc(-c2nc3sc4c(c3c(=O)n2C(N)=O)CCCC4)cc(OC)c1OC ZINC000096928921 HF Annotated Anodyne CC(C)NC(=O)c1nn(-c2ccc(OCCCF)cc2)c(=O)c2c(N)scc12 ZINC000096929709 HF Annotated Anodyne CC(C)COc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2 ZINC000096932476 HF Annotated Anodyne COc1cc(/C(O)=C(/C=C(C#N)C#N)[n+]2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000096933741 HF Annotated Anodyne CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CCN(C(C)C)C3)CC(=O)N2 ZINC000096934202 HF Annotated Anodyne CCCCOc1nc(N)c2c(n1)N(Cc1ccc3c(c1)CN(C(C)C)CC3)CC(=O)N2 ZINC000096934203 HF Annotated Anodyne Cc1ccc(S(=O)(=O)/N=[N+](\[O-])c2c(N)nc(N)nc2OCC2CCCCC2)cc1 ZINC000096934229 HF Annotated Clean Nc1nn(CC(=O)N2CCOCC2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000096934518 HF Annotated Anodyne O=C1C(=O)c2cccc3c2C(=C1Br)OC[C@H]3n1cc(-c2ccccn2)nn1 ZINC000096934564 HF Annotated Mild O=C1C(=O)c2cccc3c2C(=C1Br)OC[C@@H]3n1cc(-c2ccccn2)nn1 ZINC000096934565 HF Annotated Mild CN(Cc1ccccc1)C(=O)Cc1cn(CNc2ccnc3cc(C#N)ccc23)nn1 ZINC000096934975 HF Annotated Mild COc1ccc2c(c1)CCc1c(-c3ccc(OCCCC(=O)NN)cc3)nc(N)nc1-2 ZINC000096935153 HF Annotated Reactive O=C(OCCN(CCCl)CCCl)c1ccc[n+](-c2ccc([N+](=O)[O-])cc2)c1 ZINC000096937791 HF Annotated Reactive Cc1ccccc1-c1nn(-c2ccc(N)cc2)cc1CNCCN1CCN(C)CC1 ZINC000096938544 HF Annotated Clean Cn1ncc2c1N(Cc1ccccc1Cl)S(=O)(=O)N(Cc1ccccc1)C2=O ZINC000096938767 HF Annotated Anodyne COCCNC(=O)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1 ZINC000096939873 HF Annotated Bother N#CC1=CC[C@@H]([C@H]2[C@@H]3[C@@H](C(=O)N(Cc4ccc(F)cc4)[C@@H]3O)[C@@H]3[C@@H](F)CCN23)C=C1 ZINC000096940491 HF Annotated Reactive N#CC1=CC[C@@H]([C@H]2[C@H]3[C@H](O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3[C@@H](F)CCN23)C=C1 ZINC000096940492 HF Annotated Reactive N#CC1=CC[C@@H]([C@H]2[C@@H]3[C@@H](C(=O)N(Cc4ccc(F)cc4)[C@@H]3O)[C@@H]3[C@H](F)CCN23)C=C1 ZINC000096940493 HF Annotated Reactive N#CC1=CC[C@@H]([C@H]2[C@H]3[C@H](O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3[C@H](F)CCN23)C=C1 ZINC000096940494 HF Annotated Reactive N#Cc1ccc([C@H]2[C@@H]3[C@@H](C(=O)N(Cc4ccc(F)cc4)[C@@H]3O)[C@@H]3C[C@H](F)CN32)cc1 ZINC000096940495 HF Annotated Mild N#Cc1ccc([C@H]2[C@H]3[C@H](O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3C[C@H](F)CN32)cc1 ZINC000096940496 HF Annotated Mild CO[C@H]1C[C@H]2[C@@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@@H]3[C@H](c3ccc(C#N)cc3)N2C1 ZINC000096940502 HF Annotated Mild CO[C@@H]1CCN2[C@@H](c3ccc(C#N)cc3)[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@H]12 ZINC000096940504 HF Annotated Mild N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3CCCN32)c(F)c1 ZINC000096941630 HF Annotated Anodyne CCCN1CCN(c2nc(CCN(C)C(=O)c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000098082644 HF Annotated Bother COc1cc2cc([C@@H]3SC(NC(C)=O)=NN3C(C)=O)c(Cl)nc2cc1OC ZINC000098083028 HF Annotated Anodyne COc1cc2cc([C@H]3SC(NC(C)=O)=NN3C(C)=O)c(Cl)nc2cc1OC ZINC000098083029 HF Annotated Anodyne CC[C@]1(C)C[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(OC(C)=O)ccc2O1 ZINC000098084195 HF Annotated Anodyne CC[C@@]1(C)C[C@@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(OC(C)=O)ccc2O1 ZINC000098084196 HF Annotated Anodyne CC[C@]1(C)C[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(OC(C)=O)ccc2O1 ZINC000098084197 HF Annotated Anodyne CC[C@@]1(C)C[C@]2(SC(NC(C)=O)=NN2C(C)=O)c2cc(OC(C)=O)ccc2O1 ZINC000098084198 HF Annotated Anodyne CN(C)c1ccc(C(=O)Nc2c(C#N)cnn2-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000098084324 HF Annotated Mild CCCN1CCN(c2ncc(CCN(C)C(=O)c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000098084368 HF Annotated Bother CC(=O)NC1=NN(C(C)=O)[C@]2(CC3(CCCC3)Oc3ccc(OC(C)=O)cc32)S1 ZINC000098084405 HF Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@@]2(CC3(CCCC3)Oc3ccc(OC(C)=O)cc32)S1 ZINC000098084406 HF Annotated Anodyne CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)N3CCCC3)cc1C2=O ZINC000098084628 HF Annotated Clean COc1ccc(-[n+]2noc(O)c2CNc2nc3c([N+](=O)[O-])cccc3s2)cc1 ZINC000098085128 HF Annotated Bother COC(=O)C1=C[C@H]2C3=C(N4CCCN(C)CC4)c4ccccc4N(C)C3=N[C@H]2C=C1 ZINC000098085287 HF Annotated Anodyne Cc1nn(-c2ccc(-c3nnc(S)o3)cc2)c(=O)n1/N=C/c1cc(F)ccc1F ZINC000098085403 HF Annotated Mild COc1ccc(-[n+]2noc(O)c2CNc2nc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000098085410 HF Annotated Bother COc1ccc(-[n+]2noc(O)c2CNc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000098085411 HF Annotated Bother Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1ccnc(C2(C#N)CC2)c1 ZINC000098194688 HF Annotated Anodyne Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1ccnc(CC2CC2)n1 ZINC000098195264 HF Annotated Anodyne COC1=CC[C@@H]([C@@H](C)/C=C(C)/C=C\C=C/C(=O)N[C@H](C(N)=O)C(C)(C)C)OC1=O ZINC000098203164 HF Annotated Anodyne O=C(NCCC(F)(F)F)c1ccc(C#CCNS(=O)(=O)c2ccccc2)cc1 ZINC000098208174 HF Annotated Mild