COc1ccc2nc3n(c2c1)SCc1c(C)c(OC)c(C)c[n+]1-3 ZINC000000000728 EF Annotated Anodyne in-man CCOP(=S)(OCC)Oc1ccc(=O)n(-c2ccccc2)n1 ZINC000000002006 EF Annotated Reactive in-vitro N#Cc1cccc(-c2nc(Nc3cnccn3)sc2-n2cncn2)c1 ZINC000000003344 EF Annotated Mild Cc1cccnc1-n1ccnc1[S@](=O)Cc1ccccc1N(C)C ZINC000000003722 EF Annotated Anodyne O=[S@@]1NC(Cc2ccc3cccc(Br)c3c2)=NO1 ZINC000000004536 EF Annotated Mild Nc1c(Cl)cc(C(=O)NCCC23CCCN2CCC3)c2c1CCO2 ZINC000000006321 EF Annotated Anodyne COC(=O)c1cc(OC)cc(O)c1Oc1cc(C)cc(O)c1C(=O)O ZINC000000006606 EF Annotated Anodyne C[C@H]1COc2c(-c3ccncc3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000000010458 EF Annotated Anodyne C[C@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(-n4ccnc4)c(c32)S1 ZINC000000011396 EF Annotated Anodyne O=[S@@]1NC(Cc2ccc3c(Br)cccc3c2)=NO1 ZINC000000012123 EF Annotated Mild O=[S@@]1NC(Cc2ccc3ccccc3c2Br)=NO1 ZINC000000012129 EF Annotated Mild O=c1[nH]c2cc(-c3ccncc3)c(C(F)(F)C(F)(F)F)nc2[nH]1 ZINC000000013808 EF Annotated Anodyne CC(=O)N(C)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O ZINC000000015978 EF Annotated Anodyne CCOC(=O)COc1ccccc1/C=C1\CC[C@H](CN(C)C)C1=O ZINC000000018152 EF Annotated Mild CC(C)N1C[C@@H]2C[C@@H](CN(C(=O)c3ccc(-n4ccnc4)cc3)C2)C1 ZINC000000018451 EF Annotated Anodyne Cc1[nH]cnc1CN1CCN(c2cccc(Br)c2)C1=O ZINC000000018498 EF Annotated Anodyne CS(=O)(=O)Nc1cc2c(cc1Sc1nccs1)C(=O)CC2 ZINC000000018923 EF Annotated Clean Nc1ccc(-c2cc(=O)c3c(N)c(F)c(CO)c(F)c3o2)cc1F ZINC000000019626 EF Annotated Anodyne NCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F ZINC000000019627 EF Annotated Anodyne CN1C(=O)c2cccnc2N(C2CC2)c2nc(-c3cn[nH]c3)ccc21 ZINC000000020399 EF Annotated Anodyne Nc1nc(Cl)cc(NCC2(CO)CC(Cc3ccccc3)C2)n1 ZINC000000021270 EF Annotated Anodyne C[C@H](O)[C@@H](CCc1cccc(Cl)c1Cl)n1cnc(C(N)=O)c1 ZINC000000025432 EF Annotated Anodyne in-vivo C[N+](C)(C)CCn1c(Cn2nnc3ccccc32)nc2ccccc21 ZINC000000025532 EF Annotated Bother CCc1c(C(=O)c2cc(C)cc(C)c2)n(CC2CCC2)c(=O)[nH]c1=O ZINC000000026268 EF Annotated Anodyne O=C1O[C@@]2(CN3CCC2CC3)CN1c1ccc(Br)s1 ZINC000000027195 EF Annotated Anodyne C=CCn1c(-c2cccs2)nn([C@@H]2CC(=O)[C@H]3OC[C@@H]2O3)c1=S ZINC000000032908 EF Annotated Mild COc1cccc([C@H]2c3cc4c(cc3O[C@](C)(O)[C@@H]2C)OCO4)c1O ZINC000000044803 EF Annotated Anodyne Cc1ccc(S(=O)(=O)c2nc(C)c([N+](=O)[O-])c(C)c2C#N)cc1 ZINC000000075474 EF Annotated Mild O=C(O)CSc1nnc2c(n1)OC1(CCCC1)Nc1ccccc1-2 ZINC000000089385 EF Annotated Anodyne CCN(CC)C(=O)c1sc2nc(C)nc(N3CCOCC3)c2c1C ZINC000000109706 EF Annotated Anodyne Cc1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C)cn3)n2)nc1 ZINC000000175603 EF Annotated Anodyne COc1cc([C@@H]2OC3=C(C(=O)CC(C)(C)C3)C(N)=C2C#N)ccc1O ZINC000000177348 EF Annotated Reactive N#Cc1ccccc1NC(=O)NS(=O)(=O)c1ccccc1Cl ZINC000000185080 EF Annotated Mild C=CCN1C[C@H]2C[C@]3(COc4cc(C)cc(C)c4)C=C[C@]2(O3)C1=O ZINC000000185886 EF Annotated Mild COc1cc2c(cc1OC)[C@H](c1cc(OC)c(O)c(OC)c1)NCC2 ZINC000000188161 EF Annotated Anodyne COC(=O)c1cccc(C(=O)Oc2cccc(Br)c2)n1 ZINC000000190463 EF Annotated Anodyne CCN(CC)CCn1c(NC(=O)C(F)(F)F)nc2ccccc21 ZINC000000193459 EF Annotated Anodyne COC1=N[C@H]2Nc3ccccc3N(C)[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000197649 EF Annotated Bother CCN(CC)C(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12 ZINC000000200570 EF Annotated Anodyne CC1CCC(/N=C(\O)CCn2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000000200606 EF Annotated Mild O=C(NC[C@H]1CCCO1)c1cc2c(=O)oc3ccccc3c2s1 ZINC000000201337 EF Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1cc2c(=O)oc3ccccc3c2s1 ZINC000000201338 EF Annotated Anodyne CCc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1 ZINC000000201349 EF Annotated Anodyne CCc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)c1 ZINC000000201362 EF Annotated Anodyne CCOC(=O)c1c2n(c3cc(Cl)c([N+](=O)[O-])cc3c1=O)CCC2 ZINC000000202017 EF Annotated Bother CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)ccc1OC ZINC000000207318 EF Annotated Reactive CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)ccc1OC ZINC000000207323 EF Annotated Reactive CCOc1ccc(S(=O)(=O)NCc2ccco2)c2cccnc12 ZINC000000211224 EF Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)O)[C@H](c1ccc(C)o1)N(C)C2=O ZINC000000211759 EF Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)O)[C@@H](c1ccc(C)o1)N(C)C2=O ZINC000000211762 EF Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)O)[C@H](c1ccc(C)o1)N(C)C2=O ZINC000000211763 EF Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)O)[C@@H](c1ccc(C)o1)N(C)C2=O ZINC000000211764 EF Annotated Anodyne O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2)C1CCCC1 ZINC000000212238 EF Annotated Anodyne CC(C)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2 ZINC000000212277 EF Annotated Anodyne Cc1ccc(-n2nc3c(c2NC(=O)C(C)(C)C)C[S@](=O)C3)cc1 ZINC000000212288 EF Annotated Anodyne Cc1ccccc1-n1nc2c(c1NC(=O)C(C)(C)C)C[S@](=O)C2 ZINC000000212292 EF Annotated Anodyne Cc1cccc(-n2nc3c(c2NC(=O)C2CC2)C[S@](=O)C3)c1C ZINC000000212321 EF Annotated Anodyne Cc1cccc(NC(=O)CCCN2C(=O)c3cccnc3C2=O)c1C ZINC000000212375 EF Annotated Anodyne Cc1ccc(NC(=O)CCCN2C(=O)c3cccnc3C2=O)cc1F ZINC000000212386 EF Annotated Anodyne COc1ccc(C)cc1NC(=O)CN1C(=S)NC(C)(C)C[C@@H]1C ZINC000000212546 EF Annotated Anodyne COc1ccc(C)cc1NC(=O)CN1C(=S)NC(C)(C)C[C@H]1C ZINC000000212547 EF Annotated Anodyne CN(C(=O)c1cnccn1)C1(C(=O)NC2CCCCC2)CCCCC1 ZINC000000212654 EF Annotated Anodyne COC(=O)c1cn(NC(=O)CC2CCCCC2)c(=O)c2ccccc12 ZINC000000213032 EF Annotated Anodyne CC[C@@H]1Oc2ccccc2N(CC(=O)N[C@@H]2CCCC[C@H]2C)C1=O ZINC000000218932 EF Annotated Anodyne CCc1ccc(CNC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1 ZINC000000219237 EF Annotated Anodyne CC(C)CCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O ZINC000000219398 EF Annotated Anodyne CC(C)(C)NC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000000220255 EF Annotated Anodyne C=CCn1c(SCC(N)=O)nnc1-c1ccc2[nH]c(C)c(C)c2c1 ZINC000000221639 EF Annotated Mild CC(C)N(C)c1ccc2[nH]c(=O)c(Cc3ccc(F)cc3)nc2n1 ZINC000000233289 EF Annotated Anodyne CC[C@@H](C)c1nc2nc(N3CCCC[C@H]3CCO)ccc2nc1O ZINC000000233470 EF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 ZINC000000234182 EF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 ZINC000000234187 EF Annotated Anodyne O=C([C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1)N1CCOCC1 ZINC000000234258 EF Annotated Anodyne O=C([C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1)N1CCOCC1 ZINC000000234267 EF Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 ZINC000000234361 EF Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000000234372 EF Annotated Anodyne CC[C@@](C)(C(=O)NC1CCCC1)N(C)C(=O)c1ccc2c(c1)OCO2 ZINC000000246468 EF Annotated Anodyne CC[C@](C)(C(=O)NC1CCCC1)N(C)C(=O)c1ccc2c(c1)OCO2 ZINC000000246473 EF Annotated Anodyne Cc1ccc2cc(CCN3C(=O)c4ccccc4C3=O)c(=O)[nH]c2c1 ZINC000000250178 EF Annotated Anodyne COC(=O)c1cnn2c(O)c(Cc3cc(C)ccc3C)c(C)nc12 ZINC000000259477 EF Annotated Clean Cc1ccc(CNC(=O)CCS(=O)(=O)Cc2ccc(C)cc2)cc1 ZINC000000262838 EF Annotated Anodyne CN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C=O)c2c1 ZINC000000263731 EF Annotated Anodyne COc1ccc(S(=O)(=O)CC/C(O)=N/c2cc(C)ccn2)cc1 ZINC000000264994 EF Annotated Mild CC(C)(C)c1ccc(OC[C@H](O)CS(=O)(=O)c2ccccn2)cc1 ZINC000000272179 EF Annotated Anodyne CC(C)(C)c1ccc(OC[C@@H](O)CS(=O)(=O)c2ccccn2)cc1 ZINC000000272183 EF Annotated Anodyne COc1cc2oc(=O)c(Br)c(C)c2c(OC)c1OC ZINC000000300863 EF Annotated Anodyne COc1cc2c(cc1OC)/C(=C/CN1C(=O)CC[C@@H]1O)CCS2 ZINC000000384020 EF Annotated Anodyne COc1cc2c(cc1OC)/C(=C/CN1C(=O)CC[C@H]1O)CCS2 ZINC000000384022 EF Annotated Anodyne COc1cc(-n2nc(SC)c(C#N)c2N)nc(-c2ccccc2)n1 ZINC000000384907 EF Annotated Mild CCN(C(=O)CC(C)C)c1nnc(Cn2nnc3ccccc32)s1 ZINC000000413598 EF Annotated Anodyne Nn1cnnc1SCC(=O)Nc1ccc(C2CCCCC2)cc1 ZINC000000415203 EF Annotated Anodyne Cc1ccc(CNC(=O)c2cn(C)c(=O)c3c2c2ccccc2n3C)o1 ZINC000000423575 EF Annotated Anodyne CCOC(=O)CSC1=Nc2ccccc2C2=N[C@@H](C(C)C)C(=O)N12 ZINC000000424873 EF Annotated Anodyne CCOC(=O)CSC1=Nc2ccccc2C2=N[C@H](C(C)C)C(=O)N12 ZINC000000424874 EF Annotated Anodyne N#Cc1ccccc1-n1c(N)c(C(=O)N2CCCC2)sc1=S ZINC000000425150 EF Annotated Mild O=c1c2cc(Br)ccc2nc(S)n1Cc1ccccn1 ZINC000000425206 EF Annotated Anodyne Cc1cccc(NC(=O)CSC2=NN3CCCC(=O)N=C3S2)c1 ZINC000000425840 EF Annotated Anodyne COC(=O)c1ccn(-c2nc(-c3ccco3)cc(C(F)(F)F)n2)n1 ZINC000000426679 EF Annotated Anodyne CC(C)(C)C(=O)Cn1c(=O)n(C2CCCC2)c(=O)c2ccccc21 ZINC000000427321 EF Annotated Anodyne Cc1ccccc1CN1CCN(CC(=O)NCc2cccs2)C1=O ZINC000000428389 EF Annotated Anodyne COc1ccc(OC)c([C@@H]2NC(=O)c3[nH]nc(-c4ccccc4)c32)c1 ZINC000000429281 EF Annotated Anodyne COc1ccc(OC)c([C@H]2NC(=O)c3[nH]nc(-c4ccccc4)c32)c1 ZINC000000429282 EF Annotated Anodyne Cn1c(=O)cc(SCC(=O)NCc2ccco2)c2ccccc21 ZINC000000429694 EF Annotated Anodyne Cn1c(=O)cc(SCC(=O)Nc2cccnc2)c2ccccc21 ZINC000000429709 EF Annotated Anodyne Cn1c(=O)cc(SCC(=O)N2CCCC2)c2ccc(Cl)cc21 ZINC000000429712 EF Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](NC=O)c1ccc(N(C)C)cc1 ZINC000000492683 EF Annotated Clean Cc1ccccc1N1CC2=C(C1=O)[C@H](c1ccccc1)NC(=O)N2C ZINC000000494077 EF Annotated Anodyne C[C@]12C[C@H](c3ccccc3O1)[C@@H](C(=O)OCc1ccccc1)C(=O)N2 ZINC000001018787 EF Annotated Anodyne Cc1ccc(/C=N/NC(=O)C2(O)c3ccccc3-c3ccccc32)o1 ZINC000001022455 EF Annotated Reactive Cc1n[nH]c2c1[C@H](c1ccccc1Br)C(C#N)=C(N)O2 ZINC000001029512 EF Annotated Reactive Cc1n[nH]c2c1[C@@H](c1ccccc1Br)C(C#N)=C(N)O2 ZINC000001029514 EF Annotated Reactive COc1ccc(-c2[nH]c(NCc3ccccc3)nc(=O)c2C#N)cc1 ZINC000001041071 EF Annotated Mild Cc1ccc(-c2cn(S(=O)(=O)c3ccc(C)cc3)nc2N)cc1 ZINC000001067715 EF Annotated Anodyne O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/C=C/c1ccccc1 ZINC000001225702 EF Annotated Clean O=C(Nc1ccccc1Br)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)O ZINC000001234040 EF Annotated Anodyne O=C(Cn1nnc(-c2ccccc2F)n1)Nc1cccc2ncccc12 ZINC000001351477 EF Annotated Anodyne CCOC(=O)CSc1nc2cc3c(cc2cc1C#N)OCCO3 ZINC000001355108 EF Annotated Mild CC(=O)N(Cc1ccco1)Cc1cc2cccc(C)c2n2nnnc12 ZINC000001376810 EF Annotated Anodyne O=C(O[C@H](C(=O)NC[C@H]1CCCO1)c1ccccc1F)c1ccco1 ZINC000001381222 EF Annotated Anodyne O=C(O[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1F)c1ccco1 ZINC000001381223 EF Annotated Anodyne O=C(O[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1F)c1ccco1 ZINC000001381224 EF Annotated Anodyne O=C(O[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1F)c1ccco1 ZINC000001381225 EF Annotated Anodyne COc1cc(C[S@@](=O)c2nc3cscc3[nH]2)ncc1Cl ZINC000001485843 EF Annotated Anodyne Cc1ccc(CN2C(=O)[C@@H]([C@H](C#N)C(=O)O)c3cc(F)ccc32)cc1 ZINC000001491949 EF Annotated Mild COCC[C@@H](C(=O)Oc1c(OC)cccc1OC)N1C=CCCC1 ZINC000100024708 EF Annotated Anodyne COCC[C@H](C(=O)Oc1c(OC)cccc1OC)N1C=CCCC1 ZINC000100024709 EF Annotated Anodyne O=C1C(Nc2ccc(F)cc2)=CC(=O)c2[nH]c(-c3ccccn3)nc21 ZINC000100025045 EF Annotated Mild C/C(O)=C1\C(=O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@@H]3C(C)(C)N2C1=O ZINC000100030662 EF Annotated Mild C[C@@H](C1=CN[C@H]2N=CC=C[C@H]12)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000100033087 EF Annotated Anodyne C[C@H](C1=CN[C@H]2N=CC=C[C@H]12)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000100033090 EF Annotated Anodyne C[C@@H](C1=CN[C@@H]2N=CC=C[C@H]12)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000100033093 EF Annotated Anodyne C[C@H](C1=CN[C@@H]2N=CC=C[C@H]12)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000100033094 EF Annotated Anodyne CCN1C2=C(C(=O)Nc3ccncc3)C(=O)CCN2c2ccccc21 ZINC000100039992 EF Annotated Mild CCOC(=O)C(/C=N/c1ccnc(-c2ccncc2)n1)=C(\O)OCC ZINC000100053491 EF Annotated Mild CCOC(=O)C(/C=N/c1ccnc(-c2cccnc2)n1)=C(\O)OCC ZINC000100053520 EF Annotated Mild CCOC(=O)C(/C=N/c1ccnc(-c2ccccn2)n1)=C(\O)OCC ZINC000100053538 EF Annotated Mild O/N=C/c1cc[n+](CCCCCCC[n+]2ccc(/C=N/O)cc2)cc1 ZINC000100062590 EF Annotated Mild C[C@@H](O)c1cc(NCc2cccnc2)n2ncc(Br)c2n1 ZINC000100073156 EF Annotated Anodyne C[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)O[C@H]3C3=C(C[C@@](C)(O)C3=O)C1=O)C2(C)C ZINC000100076217 EF Annotated Mild in-vitro biogenic CC1=C[C@]2(O)C(=O)[C@H](C)C[C@@H]3[C@H](CC[C@](C)(O)/C=C\2C1=O)C3(C)C ZINC000100076266 EF Annotated Mild in-vitro biogenic CC1=C[C@]2(O)C(=O)[C@H](C)C[C@@H]3[C@H](CC[C@](C)(O)/C=C/2C1=O)C3(C)C ZINC000100076280 EF Annotated Mild in-vitro biogenic C=CCN1[C@@H]2CN(C(C)=O)C[C@H]1[C@H]2c1ccc(Br)cc1 ZINC000100083443 EF Annotated Mild CC(=O)N1C[C@@H]2[C@@H](c3ccc(Br)cc3)[C@H](C1)N2CC1CC1 ZINC000100083656 EF Annotated Anodyne CC(=O)N1[C@@H]2CN(CC3CC3)C[C@H]1[C@@H]2c1ccc(Br)cc1 ZINC000100083790 EF Annotated Anodyne CC(=O)N1C[C@@H]2[C@H](c3ccc(Br)cc3)[C@H](C1)N2CC1CC1 ZINC000100084587 EF Annotated Anodyne C=CCN1[C@@H]2CN(C(C)=O)C[C@H]1[C@@H]2c1ccc(Br)cc1 ZINC000100085521 EF Annotated Mild Cc1cc(C)cc(/N=c2\oc3c(C)ncc(CO)c3cc2C(N)=O)c1 ZINC000100087069 EF Annotated Anodyne FC(F)(F)CN1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(Br)cc1 ZINC000100087865 EF Annotated Anodyne CCCNC(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cccnc2)cc1 ZINC000100088385 EF Annotated Anodyne FC(F)(F)CN1C[C@H]2N[C@H](C1)C2c1ccc(Br)cc1 ZINC000100088881 EF Annotated Anodyne FC(F)(F)CN1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(Br)cc1 ZINC000100088887 EF Annotated Anodyne FC(F)(F)CN1C[C@@H]2N[C@@H](C1)C2c1ccc(Br)cc1 ZINC000100088894 EF Annotated Anodyne N#Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CC5)C[C@@H]3N4)cc2)cc1 ZINC000100088912 EF Annotated Mild CCCNC(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccnc2)cc1 ZINC000100093231 EF Annotated Anodyne c1cncc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4CC3CCOCC3)cc2)c1 ZINC000100097852 EF Annotated Anodyne O=C(C1CCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccncc2)cc1 ZINC000100099454 EF Annotated Anodyne N#Cc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CC5)C[C@@H]3N4)cc2)cc1 ZINC000100101795 EF Annotated Mild O=C(C1CCCC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cncnc2)cc1 ZINC000100102028 EF Annotated Anodyne O=C(C1CCCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cncnc2)cc1 ZINC000100104172 EF Annotated Anodyne CCCNC(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cccnc2)cc1 ZINC000100106257 EF Annotated Anodyne c1cc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4CC3CCOCC3)cc2)ccn1 ZINC000100107034 EF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)Cc4ccncc4)C[C@@H]2N3)cc1 ZINC000100107109 EF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)Cc4ccncc4)C[C@@H]2N3)cc1 ZINC000100107173 EF Annotated Anodyne C/C=C1/CN2[C@H]3C[C@H]1[C@@H]1[C@@H]2C[C@]2(C3=Nc3ccccc32)[C@@H]1OC(C)=O ZINC000100194588 EF Annotated Anodyne in-vitro C/C=C1/CN2[C@H]3C[C@H]1[C@H]1[C@@H]2C[C@]2(C3=Nc3ccccc32)[C@@H]1OC(C)=O ZINC000100194593 EF Annotated Anodyne in-vitro C=CCn1c(-c2cccs2)nn([C@@H]2CC(=O)[C@@H]3OC[C@@H]2O3)c1=S ZINC000100247554 EF Annotated Mild C=CCn1c(-c2cccs2)nn([C@H]2CC(=O)[C@@H]3OC[C@@H]2O3)c1=S ZINC000100247556 EF Annotated Mild Cc1nnn(C23C[C@@H]4C[C@H](CC(C(=O)N5CCCCCC5)(C4)C2)C3)n1 ZINC000100292670 EF Annotated Anodyne CCC[C@@H]1C(=O)c2nc([C@H]3C[C@H]4C[C@@H]3[C@@H]3O[C@H]43)[nH]c2N(CCC)C1=O ZINC000100369618 EF Annotated Anodyne in-man CCC[C@H]1C(=O)c2nc([C@H]3C[C@H]4C[C@@H]3[C@@H]3O[C@H]43)[nH]c2N(CCC)C1=O ZINC000100369621 EF Annotated Anodyne in-man CC1=C[C@@]2(O)C(=O)[C@H](C)C[C@@H]3[C@H](CC[C@](C)(O)/C=C/2C1=O)C3(C)C ZINC000100371837 EF Annotated Mild in-vitro biogenic C/C(=C/C=C(\O)C(=O)O)C(=O)CC[C@@H]1C(=O)CC[C@]2(C)C(=O)CC[C@@H]12 ZINC000100407361 EF Annotated Mild CSc1ccccc1NC(=O)[C@@H]1C/C(=C2/C=CC=CC2=O)NO1 ZINC000100427873 EF Annotated Mild CSc1ccccc1NC(=O)[C@H]1C/C(=C2/C=CC=CC2=O)NO1 ZINC000100427876 EF Annotated Mild O=C1C=C/C(=C2/ONC(C(F)(F)F)=C2c2cscn2)C(O)=C1 ZINC000100429755 EF Annotated Mild CCC1=C/C(=C2\NNC=C2c2nc3ccccc3n2C)C(=O)C=C1O ZINC000100432180 EF Annotated Mild C/N=c1\scc(-c2cccs2)n1N/C=C1\C=CC(=O)C(O)=C1O ZINC000100432582 EF Annotated Mild Cc1nc([N+](=O)[O-])nn1C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 ZINC000100437053 EF Annotated Bother Cc1nc([N+](=O)[O-])nn1C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 ZINC000100437059 EF Annotated Bother aggregator Cc1nc2c(C(=O)NCCC3=CCCCC3)c[nH]n2c(=O)c1Cl ZINC000100438776 EF Annotated Anodyne CCOC(=O)Cc1cc(=O)n2[nH]c(C)c(-c3ccc(Cl)cc3)c2n1 ZINC000100447264 EF Annotated Anodyne COC(=O)c1ccc(NC2=N/C(=C3\C=CC=CC3=O)NC(C)=C2)cc1 ZINC000100448824 EF Annotated Mild Oc1c(Br)cc(Br)cc1/C=N/c1cn[nH]n1 ZINC000100454506 EF Annotated Mild Cc1cc(C)n(-c2nnc3n2N/C(=C2/C=Nc4ccccc42)CS3)n1 ZINC000100466631 EF Annotated Anodyne O=C(CSC1=NN/C(=C2/C=Nc3ccccc32)O1)N1CCCCC1 ZINC000100467643 EF Annotated Anodyne CCC(CC)NC(=O)CSC1=NN/C(=C2/C=Nc3ccccc32)O1 ZINC000100468559 EF Annotated Anodyne C[C@@H]([C@@H]1C[C@@H]2CC[C@@H]1C2)N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N ZINC000100473002 EF Annotated Mild C[C@H]([C@@H]1C[C@@H]2CC[C@@H]1C2)N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N ZINC000100473004 EF Annotated Mild C[C@@H]([C@H]1C[C@@H]2CC[C@@H]1C2)N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N ZINC000100473006 EF Annotated Mild C[C@H]([C@H]1C[C@@H]2CC[C@@H]1C2)N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N ZINC000100473009 EF Annotated Mild N#CC1=C(Nc2ccccc2)/C(=C/N/N=C\c2ccccc2)C=NC1=O ZINC000100477301 EF Annotated Reactive N#CC1=C(Nc2ccccc2)/C(=C/N/N=C/c2ccccc2)C=NC1=O ZINC000100477306 EF Annotated Reactive COC1=C/C(=C2/C=C(c3cccc(Br)c3)NN2)C(=O)C=C1 ZINC000100490093 EF Annotated Mild O=S1(=O)C[C@]2(c3ccccc3)CC[C@@](c3ccccc3)(C1)OO2 ZINC000100498858 EF Annotated Reactive C/N=c1\scc(-c2ccc(F)cc2)n1N/C=C1/C=CC(=O)C(O)=C1 ZINC000100514993 EF Annotated Mild CCCCN1C(=O)[C@H](CC(=O)NCC)S/C1=N\c1ccccc1 ZINC000100518330 EF Annotated Mild CCCCN1C(=O)[C@@H](CC(=O)NCC)S/C1=N\c1ccccc1 ZINC000100518334 EF Annotated Mild Clc1ccc2c(c1)=C(c1cccs1)NN=C(c1cccnc1)N=2 ZINC000100524920 EF Annotated Anodyne CC1=C(c2cnn(-c3ccccc3)c2)/C(=C2/C=CC(=O)C(C)=C2O)NN1 ZINC000100526430 EF Annotated Mild COC1=CC(=O)/C(=C2\NNC(C)=C2c2cnn(-c3ccccc3)c2)C=C1 ZINC000100526472 EF Annotated Mild CCOC1=CC(=O)/C(=C2\NNC(C)=C2Oc2ccc(OC)cc2)C=C1 ZINC000100536649 EF Annotated Mild COC(=O)c1cccc(NC2=N/C(=C3\C=CC=CC3=O)NC(C)=C2)c1 ZINC000100562911 EF Annotated Mild O=C1C=CC=C/C1=C1\N=C(NCc2cccnc2)c2ccccc2N1 ZINC000100563227 EF Annotated Mild CC1=C(C)C(=O)/C(=C2\C=C(C(=O)Nc3ccc(C)c(C)c3)NN2)C=C1 ZINC000100571342 EF Annotated Mild CC1=NN(c2cccc(C)c2)C(=O)/C1=C/Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000100572809 EF Annotated Clean COC(=O)[C@@H]1C(c2ccc(C=O)cc2OC)=NO[C@@H]1c1ccccc1 ZINC000100602850 EF Annotated Anodyne COC(=O)[C@@H]1C(c2ccc(C=O)cc2OC)=NO[C@H]1c1ccccc1 ZINC000100602853 EF Annotated Anodyne COC(=O)[C@H]1C(c2ccc(C=O)cc2OC)=NO[C@@H]1c1ccccc1 ZINC000100602856 EF Annotated Anodyne COC(=O)[C@H]1C(c2ccc(C=O)cc2OC)=NO[C@H]1c1ccccc1 ZINC000100602859 EF Annotated Anodyne CCN(CC)C(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)O1 ZINC000100606791 EF Annotated Anodyne Cc1ccc(/N=c2/c([N+](=O)[O-])nn(-c3ccccc3)n2O)c(C)c1 ZINC000100610452 EF Annotated Bother Cc1ccccc1-c1nnc2n1N/C(=C1\C=CC(=O)C(O)=C1)CS2 ZINC000100616615 EF Annotated Mild O=C1CC(=O)N(c2ccc3[nH]cnc3c2)[C@@H]1c1cccc(F)c1F ZINC000100625823 EF Annotated Anodyne COc1ccc2[nH]c(C)c(CCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2c1 ZINC000100637427 EF Annotated Anodyne COc1ccc2[nH]c(C)c(CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2c1 ZINC000100637430 EF Annotated Anodyne CCOC(=O)C1=C(O)[C@](Nc2nccs2)(C(F)(F)F)N=C1C ZINC000100644501 EF Annotated Anodyne CCOC(=O)C1=C(O)[C@@](Nc2nccs2)(C(F)(F)F)N=C1C ZINC000100644503 EF Annotated Anodyne Cc1cnc(NC(=O)[C@H]2C(=O)N3CCCc4cc(F)cc2c43)s1 ZINC000100658380 EF Annotated Anodyne Cc1cnc(NC(=O)[C@@H]2C(=O)N3CCCc4cc(F)cc2c43)s1 ZINC000100658384 EF Annotated Anodyne Cc1cc(NC(=O)[C@@H]2C(=O)N3CCCc4cc(F)cc2c43)sn1 ZINC000100658426 EF Annotated Anodyne Cn1nc(-c2ccc3c(N)ncnc3c2)s/c1=N/C1CCCCC1 ZINC000100658911 EF Annotated Anodyne CC(=O)SC[C@H](C)C(=O)N(CC(=O)O)[C@@H]1CC[C@@H]2C[C@@H]1C2(C)C ZINC000100682517 EF Annotated Anodyne CC(=O)SC[C@@H](C)C(=O)N(CC(=O)O)[C@@H]1CC[C@@H]2C[C@@H]1C2(C)C ZINC000100682522 EF Annotated Anodyne CC(=O)SC[C@H](C)C(=O)N(CC(=O)O)[C@H]1CC[C@@H]2C[C@@H]1C2(C)C ZINC000100682526 EF Annotated Anodyne CC(=O)SC[C@@H](C)C(=O)N(CC(=O)O)[C@H]1CC[C@@H]2C[C@@H]1C2(C)C ZINC000100682532 EF Annotated Anodyne Cc1nc2nc(NCc3ccc(OC(C)C)cc3)nn2c(O)c1C ZINC000100695402 EF Annotated Anodyne COc1cc(CNc2nc3nc(C)cc(O)n3n2)ccc1OC(C)C ZINC000100695421 EF Annotated Anodyne CC(C)[C@H]1C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccco3)cc21 ZINC000100699815 EF Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@@H]1c1ccccc1F ZINC000100704175 EF Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@H]1c1ccccc1F ZINC000100704177 EF Annotated Anodyne O=C1OC(=O)C([N+]2=CCc3ccccc32)=C1n1ccc2ccccc21 ZINC000100724565 EF Annotated Reactive CCOC1(OCC)[C@@H]2c3ccccc3[C@H]([n+]3cnn(C)c32)C1(C)C ZINC000100726767 EF Annotated Anodyne CCOC1(OCC)[C@H]2c3ccccc3[C@@H]([n+]3cnn(C)c32)C1(C)C ZINC000100726770 EF Annotated Anodyne c1ccc2c(c1)[C@@H]1CC(c3cc[nH]n3)(c3cc[nH]n3)[C@@H]2c2cccc[n+]21 ZINC000100728999 EF Annotated Anodyne c1ccc2c(c1)[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1cc[nH]n1)c1cc[nH]n1 ZINC000100729010 EF Annotated Anodyne c1ccc2c(c1)[C@@H]1CC(c3ncc[nH]3)(c3ncc[nH]3)[C@@H]2c2cccc[n+]21 ZINC000100729145 EF Annotated Anodyne c1ccc2c(c1)[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1ncc[nH]1)c1ncc[nH]1 ZINC000100729146 EF Annotated Anodyne C[C@]1(O)C[C@]23CC[C@@H]4[C@@](C)([C@H]2C=C[C@@H]1C3)[C@H](O)CC[C@@]4(C)C(=O)O ZINC000100755262 EF Annotated Anodyne CCCC[C@H]1C(=O)N(Cc2ccccc2)c2nc3nccnc3n2C1=O ZINC000100759443 EF Annotated Anodyne CCCC[C@@H]1C(=O)N(Cc2ccccc2)c2nc3nccnc3n2C1=O ZINC000100759445 EF Annotated Anodyne CCCC[C@H]1C(=O)N(Cc2ccccc2)c2nc3ncncc3n2C1=O ZINC000100759885 EF Annotated Anodyne CCCC[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ncncc3n2C1=O ZINC000100759888 EF Annotated Anodyne Cc1ccc(N/N=C2/CC[C@H](C)n3c2ncc(C(=O)O)c3=O)cc1C ZINC000100760859 EF Annotated Mild Cc1ccc(N/N=C2/CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)cc1C ZINC000100760862 EF Annotated Mild Cc1cccc(N/N=C2/CC[C@H](C)n3c2ncc(C(=O)O)c3=O)c1C ZINC000100761403 EF Annotated Mild Cc1cccc(N/N=C2/CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)c1C ZINC000100761406 EF Annotated Mild Cc1cccc(C)c1N/N=C1/CC[C@H](C)n2c1ncc(C(=O)O)c2=O ZINC000100761551 EF Annotated Mild Cc1cccc(C)c1N/N=C1\CC[C@@H](C)n2c1ncc(C(=O)O)c2=O ZINC000100761560 EF Annotated Mild C[C@@H]1CCC(/N=N\c2ccccc2)=C2N(C)C=C(C(=O)O)C(=O)N21 ZINC000100761840 EF Annotated Clean C[C@@H]1CCC(/N=N/c2ccccc2)=C2N(C)C=C(C(=O)O)C(=O)N21 ZINC000100761841 EF Annotated Clean C[C@H]1CCC(/N=N\c2ccccc2)=C2N(C)C=C(C(=O)O)C(=O)N21 ZINC000100761843 EF Annotated Clean C[C@H]1CCC(/N=N/c2ccccc2)=C2N(C)C=C(C(=O)O)C(=O)N21 ZINC000100761845 EF Annotated Clean O=c1cc(-c2nn[nH]n2)oc2c3ccccc3n(-c3ccccc3)c12 ZINC000100770574 EF Annotated Anodyne C[C@@H]1CCC(/C=N/c2cccc(Cl)c2)=C2NC=C(C(=O)O)C(=O)N21 ZINC000100770679 EF Annotated Mild C[C@H]1CCC(/C=N/c2cccc(Cl)c2)=C2NC=C(C(=O)O)C(=O)N21 ZINC000100770681 EF Annotated Mild C[C@@H]1CCC(/C=N/c2ccc(Cl)cc2)=C2NC=C(C(=O)O)C(=O)N21 ZINC000100771953 EF Annotated Mild C[C@H]1CCC(/C=N/c2ccc(Cl)cc2)=C2NC=C(C(=O)O)C(=O)N21 ZINC000100771954 EF Annotated Mild C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)C[C@@H](O)C[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100775866 EF Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]1(C)C[C@@H](O)C[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100775870 EF Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)C[C@H](O)C[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100775873 EF Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]1(C)C[C@H](O)C[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100775876 EF Annotated Mild in-man endogenous COc1cc2c(cc1OC)C(C)=[N+]([O-])[C@@H](c1ccc3c(c1)OCO3)N2 ZINC000100779615 EF Annotated Anodyne COc1cc2c(cc1OC)C(C)=[N+]([O-])[C@@H](c1cccc3c1OCO3)N2 ZINC000100780052 EF Annotated Anodyne C=C[C@]1(C)CC[C@H]2C(=C[C@@H]3OC(=O)[C@@]4(C)[C@H]3[C@]23CC[C@@]4(O)OC3)C1 ZINC000100780782 EF Annotated Mild in-man endogenous C=C[C@]1(C)CC[C@H]2C(=C[C@@H]3OC(=O)[C@]4(C)[C@H]3[C@]23CC[C@@]4(O)OC3)C1 ZINC000100780786 EF Annotated Mild in-man endogenous C=C[C@]1(C)CC[C@H]2C(=C[C@@H]3OC(=O)[C@@]4(C)[C@@H]3[C@]23CC[C@@]4(O)OC3)C1 ZINC000100780789 EF Annotated Mild in-man endogenous C=C[C@]1(C)CC[C@H]2C(=C[C@@H]3OC(=O)[C@]4(C)[C@@H]3[C@]23CC[C@@]4(O)OC3)C1 ZINC000100780792 EF Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]12CCC[C@](C)(C(=O)OC1)[C@@H]2[C@H]3C(=O)O ZINC000100781475 EF Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]12CCC[C@@](C)(C(=O)OC1)[C@@H]2[C@H]3C(=O)O ZINC000100781478 EF Annotated Mild in-man endogenous N#C/C(C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1)=C(/O)C1CC1 ZINC000100785122 EF Annotated Reactive N#C/C(C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1)=C(/O)C1CC1 ZINC000100785127 EF Annotated Reactive N#C[C@@H](C(=O)O)[C@@H]1C(=O)N(Cc2ccc(F)cc2)c2ccc(F)cc21 ZINC000100786590 EF Annotated Mild N#C[C@H](C(=O)O)[C@H]1C(=O)N(Cc2ccc(F)cc2)c2ccc(F)cc21 ZINC000100786598 EF Annotated Mild Cc1c[nH]c(NCCCN2CCOCC2)c2c3cnccc3nc1-2 ZINC000100797088 EF Annotated Anodyne CCOC(=O)[C@](C)(OC(C)=O)c1cc(C)c(/N=C/N(C)C)c(C)c1 ZINC000100805821 EF Annotated Mild CCOC(=O)[C@@](C)(OC(C)=O)c1cc(C)c(/N=C/N(C)C)c(C)c1 ZINC000100805825 EF Annotated Mild CC[C@@]12CCN(CC3CC3)[C@H](C(=O)c3ccc(C(N)=O)cc31)[C@@H]2C ZINC000100811972 EF Annotated Anodyne COc1cccc2c(O)c(C(=O)N(C)c3ccccc3)c(=O)n(C)c12 ZINC000100816675 EF Annotated Anodyne COc1cccc2c1c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C ZINC000100818752 EF Annotated Anodyne CCO/C(O)=C1\CN2C[C@H](CC[C@@H]2COCc2ccccc2)C1=O ZINC000100819441 EF Annotated Mild CCO/C(O)=C1\CN2C[C@@H](CC[C@@H]2COCc2ccccc2)C1=O ZINC000100819442 EF Annotated Mild CCCCCCCCCCCCOC1=C(O)O[C@H]([C@H](O)CO)C1=O ZINC000100820051 EF Annotated Mild CCCCCCCCCCCCOC1=C(O)O[C@@H]([C@H](O)CO)C1=O ZINC000100820052 EF Annotated Mild CCCCCCCCCCCCOC1=C(O)O[C@H]([C@@H](O)CO)C1=O ZINC000100820053 EF Annotated Mild CCCCCCCCCCCCOC1=C(O)O[C@@H]([C@@H](O)CO)C1=O ZINC000100820054 EF Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C ZINC000100821957 EF Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C ZINC000100821958 EF Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C ZINC000100821959 EF Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C ZINC000100821961 EF Annotated Anodyne in-man Fc1cccc(C#CCSc2nsnc2C23CN4C[C@H]2[C@@H]3C4)c1 ZINC000100829294 EF Annotated Mild Fc1cccc(C#CCSc2nsnc2C23CN4C[C@@H]2[C@H]3C4)c1 ZINC000100829297 EF Annotated Mild Fc1ccc(C#CCSc2nsnc2C23CN4C[C@H]2[C@@H]3C4)cc1 ZINC000100829383 EF Annotated Mild Fc1ccc(C#CCSc2nsnc2C23CN4C[C@@H]2[C@H]3C4)cc1 ZINC000100829388 EF Annotated Mild CC[C@@H]1[C@@H]2N3CC[C@H]1C(C(=O)OC)=C1Nc4cc(O)ccc4[C@]12CC3 ZINC000100829416 EF Annotated Anodyne in-man CC[C@H]1[C@@H]2N3CC[C@H]1C(C(=O)OC)=C1Nc4cc(O)ccc4[C@]12CC3 ZINC000100829417 EF Annotated Anodyne in-man CC[C@H]1[C@H]2CCN3CC[C@@]4(C(=C2C(=O)OC)Nc2cc(O)ccc24)[C@@H]13 ZINC000100829419 EF Annotated Anodyne in-man CC[C@@H]1[C@H]2CCN3CC[C@@]4(C(=C2C(=O)OC)Nc2cc(O)ccc24)[C@@H]13 ZINC000100829420 EF Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C ZINC000100829592 EF Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C ZINC000100829593 EF Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C ZINC000100829594 EF Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@]21C ZINC000100829597 EF Annotated Anodyne in-man CC/C=C/C[C@@H]1[C@H](O)CC[C@@H]1CC(=O)N[C@H](C(=O)O)[C@@H](C)CC ZINC000100829937 EF Annotated Anodyne in-man CC/C=C/C[C@H]1[C@H](O)CC[C@@H]1CC(=O)N[C@H](C(=O)O)[C@@H](C)CC ZINC000100829938 EF Annotated Anodyne in-man COc1cc(-c2ccc3cccc4c3c2C(=O)[C@H](O)[C@H]4O)ccc1O ZINC000100830112 EF Annotated Anodyne in-man CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)N(C)C)[C@@]13OO2 ZINC000100832935 EF Annotated Reactive O=C1C(c2ccccc2)=C(N2CC2)C(=O)C(c2ccccc2)=C1N1CC1 ZINC000100837377 EF Annotated Mild CC[S@@](=O)CCn1c(=N)sc2cc(OC(F)(F)F)ccc21 ZINC000100846608 EF Annotated Anodyne CCOC(=O)CC[C@@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@H](O1)[C@]34OO2 ZINC000100861281 EF Annotated Reactive O=C1CCCC2=C1C1(Oc3cccc4cccc(c34)O1)[C@@H]1O[C@H]1C2=O ZINC000100894133 EF Annotated Mild O=C1CCCC2=C1C1(Oc3cccc4cccc(c34)O1)[C@H]1O[C@@H]1C2=O ZINC000100894134 EF Annotated Mild O=C1C=CC2(Oc3cccc4cccc(c34)O2)[C@@]23O[C@]12CCCC3=O ZINC000100894153 EF Annotated Mild O=C1CCC[C@@]23O[C@]12C1(C=CC3=O)Oc2cccc3cccc(c23)O1 ZINC000100894154 EF Annotated Mild C=C1[C@H]2CC[C@@]3([C@@H]4C[C@H]5[C@@]6(CCC[C@@]5(C)CN(CC)[C@H]46)[C@@H]3[C@H]2O)[C@@H]1O ZINC000100899177 EF Annotated Mild in-vitro C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000100899880 EF Annotated Mild in-vitro biogenic CC(C)OC(=O)[C@H]1C(=O)N[C@]23CCCC[C@@H]2[C@@H]1c1ccccc1O3 ZINC000100901345 EF Annotated Anodyne CC(C)OC(=O)[C@@H]1C(=O)N[C@]23CCCC[C@@H]2[C@@H]1c1ccccc1O3 ZINC000100901348 EF Annotated Anodyne CCCCN(CC)C[C@H](C(C)=O)C1=C(O)O[C@@H]2C=CC=C[C@@H]2C1=O ZINC000100914129 EF Annotated Mild CCCCN(CC)C[C@@H](C(C)=O)C1=C(O)O[C@@H]2C=CC=C[C@@H]2C1=O ZINC000100914130 EF Annotated Mild CO[C@@]12C[C@H](CC[C@@H]1C)[C@](C)(CI)OO2 ZINC000100925132 EF Annotated Reactive CO[C@@]12C[C@H](CC[C@@H]1C)[C@@](C)(CI)OO2 ZINC000100925136 EF Annotated Reactive CCOC(=O)c1ccc(-n2c(O)c3ncnc-3c3cccnc32)cc1 ZINC000100927329 EF Annotated Anodyne CC(=O)N1[C@H]2Cc3cc(O)c(O)cc3[C@H]1Cc1cc3c(cc12)OCO3 ZINC000100970814 EF Annotated Clean CC(=O)N1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc(O)c(O)cc12)OCO4 ZINC000100970821 EF Annotated Clean Cc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1 ZINC000100970903 EF Annotated Anodyne Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)cc1 ZINC000100970905 EF Annotated Anodyne O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1cccs1)N1CCOCC1 ZINC000100976322 EF Annotated Anodyne O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1cccs1)N1CCOCC1 ZINC000100976331 EF Annotated Anodyne CCCCCCCCCCCOC1=C(O)O[C@H]([C@H](O)CO)C1=O ZINC000100978892 EF Annotated Mild CCCCCCCCCCCOC1=C(O)O[C@@H]([C@H](O)CO)C1=O ZINC000100978894 EF Annotated Mild CCCCCCCCCCCOC1=C(O)O[C@H]([C@@H](O)CO)C1=O ZINC000100978897 EF Annotated Mild CCCCCCCCCCCOC1=C(O)O[C@@H]([C@@H](O)CO)C1=O ZINC000100978901 EF Annotated Mild CCCN1[C@@H]2CCC[C@@H]1CC(NC(=S)NCCCOCC)C2 ZINC000100979164 EF Annotated Anodyne CCCN1[C@H]2CCC[C@H]1CC(NC(=S)NCCCOCC)C2 ZINC000100979170 EF Annotated Anodyne CC[C@H]1C(=O)N(CC2CC2)c2sc3cc(OC)ccc3[n+]2C1=O ZINC000100979449 EF Annotated Clean CC[C@@H]1C(=O)N(CC2CC2)c2sc3cc(OC)ccc3[n+]2C1=O ZINC000100979453 EF Annotated Clean Cc1ccc2c(c1)/C(=C(\O)Nc1ncc(C)s1)C(=O)N(C)C2=O ZINC000100995774 EF Annotated Anodyne COCC[S@@](=O)C[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 ZINC000101019322 EF Annotated Anodyne Nc1ccc2c(c1)C[C@H]1CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccccc1 ZINC000101027736 EF Annotated Anodyne Nc1ccc2c(c1)C[C@H]1CC[C@H](C2)[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000101027737 EF Annotated Anodyne CCCCN1C[C@@]2(NS1(=O)=O)[C@H]1CC[C@@H]2Cc2ccccc2C1 ZINC000101032496 EF Annotated Anodyne NC1=CC(=O)c2ccc(-c3[nH]ccc4c5ccccc5nc3-4)nc2C1=O ZINC000101033353 EF Annotated Mild O=C(/C=C(\O)c1ccc(CO)c(CO)c1)c1cc2ccoc2cc1O ZINC000101080111 EF Annotated Mild CC(C)n1c2nc(-c3ccccc3)nc(=O)c-2[n+]([O-])c2ccccc21 ZINC000101080242 EF Annotated Bother N#Cc1cccc(CNC2=C[C@H]3c4ccccc4C(=O)N[C@H]3C=C2)c1 ZINC000101081101 EF Annotated Mild N#Cc1cccc(CNC2=C[C@@H]3c4ccccc4C(=O)N[C@H]3C=C2)c1 ZINC000101081105 EF Annotated Mild N#Cc1cccc(CNC2=C[C@H]3c4ccccc4C(=O)N[C@@H]3C=C2)c1 ZINC000101081107 EF Annotated Mild N#Cc1cccc(CNC2=C[C@@H]3c4ccccc4C(=O)N[C@@H]3C=C2)c1 ZINC000101081109 EF Annotated Mild N#Cc1ccc(CNC2=C[C@H]3c4ccccc4C(=O)N[C@H]3C=C2)cc1 ZINC000101081116 EF Annotated Mild N#Cc1ccc(CNC2=C[C@@H]3c4ccccc4C(=O)N[C@H]3C=C2)cc1 ZINC000101081118 EF Annotated Mild N#Cc1ccc(CNC2=C[C@H]3c4ccccc4C(=O)N[C@@H]3C=C2)cc1 ZINC000101081119 EF Annotated Mild N#Cc1ccc(CNC2=C[C@@H]3c4ccccc4C(=O)N[C@@H]3C=C2)cc1 ZINC000101081120 EF Annotated Mild O=C1NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccn3)[C@@H]12 ZINC000101084287 EF Annotated Anodyne Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H]1CC(C)(C)N([O])C1(C)C ZINC000101115265 EF Annotated Anodyne Cc1cccc(C)c1NC(=O)CNC(=O)[C@H]1CC(C)(C)N([O])C1(C)C ZINC000101115267 EF Annotated Anodyne N=c1c2nc[nH]c2nc2n1CC/C2=C\c1ccccc1Br ZINC000101117997 EF Annotated Anodyne CSc1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)CC[C@@]3(C)O2)ccc1C#N ZINC000101163200 EF Annotated Mild CSc1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C)CC[C@]3(C)O2)ccc1C#N ZINC000101163202 EF Annotated Mild CCc1nc2n(c(=O)c1C(=O)O)[C@@H](C)CC/C2=N/Nc1ccccc1 ZINC000101164598 EF Annotated Mild CCc1nc2n(c(=O)c1C(=O)O)[C@H](C)CC/C2=N/Nc1ccccc1 ZINC000101164606 EF Annotated Mild Cc1cc(C)cc(N/N=C2/CC[C@H](C)n3c2ncc(C(=O)O)c3=O)c1 ZINC000101168070 EF Annotated Mild Cc1cc(C)cc(N/N=C2/CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)c1 ZINC000101168076 EF Annotated Mild CC(C)N1C[C@@H]2C[C@H](CN(C(=O)c3ccc(-n4ccnc4)cc3)C2)C1 ZINC000101194237 EF Annotated Anodyne CN(C(=O)c1c(O)c2cccc(F)c2n(C)c1=O)c1ccc(F)cc1 ZINC000101210948 EF Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO)[C@]13C(=O)O ZINC000101248885 EF Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@H](C)[C@H]4C[C@]2(CO)[C@]13C(=O)O ZINC000101248887 EF Annotated Mild CC1(C)CC(=O)C(CC(=O)NC(=O)NCc2ccccc2)=C(O)C1 ZINC000101260740 EF Annotated Mild CO[C@@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)N(C)C)[C@@]31OO2 ZINC000101266611 EF Annotated Reactive CO[C@@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)N(C)C)[C@]31OO2 ZINC000101266614 EF Annotated Reactive C[S@@](=O)CCCn1c(=N)sc2cc(OC(F)(F)F)ccc21 ZINC000101268572 EF Annotated Anodyne O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1C[C@H]1OCCc2ccccc21 ZINC000101271895 EF Annotated Anodyne O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1C[C@@H]1OCCc2ccccc21 ZINC000101271900 EF Annotated Anodyne CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000101289058 EF Annotated Clean C[C@@]12C[C@H](c3ccccc3O1)[C@@H](C(=O)OCc1ccccc1)C(=O)N2 ZINC000101292627 EF Annotated Anodyne C=CCC1=C[C@]2(OC)[C@H](O)[C@@H](C1=O)[C@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000101299574 EF Annotated Mild COc1cc2c(cc1OC)[C@@H]1Cc3cc4c(cc3[C@@H](C2)N1)OCO4 ZINC000101329630 EF Annotated Anodyne COc1cc2c(cc1OC)[C@H]1Cc3cc4c(cc3[C@H](C2)N1)OCO4 ZINC000101329637 EF Annotated Anodyne N[C@]1(C(=O)O)C[C@H]2C[C@H]1c1cc(N(CCCl)CCCl)ccc12 ZINC000101347801 EF Annotated Reactive N[C@]1(C(=O)O)C[C@@H]2C[C@@H]1c1cc(N(CCCl)CCCl)ccc12 ZINC000101347809 EF Annotated Reactive N[P@](=O)(OCc1ccc([N+](=O)[O-])o1)N(CCCl)CCCl ZINC000101349723 EF Annotated Reactive CCOC(=O)c1cccc(-n2c(O)c3ncnc-3c3cccnc32)c1 ZINC000101353093 EF Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO)[C@]13C(=O)O ZINC000101378675 EF Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO)[C@]13C(=O)O ZINC000101378680 EF Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO)[C@]13C(=O)O ZINC000101378690 EF Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO)[C@]13C(=O)O ZINC000101378697 EF Annotated Mild N[C@H](Cc1cc(F)ccc1F)[C@@H]1CC[C@@H](N2CCC[C@@H](O)C2)CC1 ZINC000101403028 EF Annotated Anodyne CCn1c2nc(-c3ccccc3)nc(=O)c-2[n+]([O-])c2cc(C)ccc21 ZINC000101424614 EF Annotated Bother CC[C@]12CCCN[C@@]13/C(=C\C(=O)OC)c1ccccc1N3C(=O)CC2 ZINC000101444897 EF Annotated Anodyne CC[C@]12CCCN[C@]13/C(=C\C(=O)OC)c1ccccc1N3C(=O)CC2 ZINC000101444900 EF Annotated Anodyne N[C@@]12CCCC[C@H](CC1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000101450728 EF Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)OCC(=O)c1ccccc1 ZINC000101467733 EF Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)OCC(=O)c1ccccc1 ZINC000101467734 EF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)n4cccc4)ccc31)[C@@H]1CC[C@@H](C2)N1 ZINC000101471636 EF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)n4cccc4)ccc31)[C@H]1CC[C@H](C2)N1 ZINC000101471646 EF Annotated Anodyne Cc1nccc2c3ccc(NS(C)(=O)=O)cc3n(CCCCN)c12 ZINC000101500537 EF Annotated Anodyne COCCO/C(O)=C1\C(C)=Nc2ncnn2[C@@H]1c1ccc(F)cc1 ZINC000101503241 EF Annotated Anodyne COCCO/C(O)=C1\C(C)=Nc2ncnn2[C@H]1c1ccc(F)cc1 ZINC000101503243 EF Annotated Anodyne COc1ccc(-c2n/c(=N\CCO)sn2-c2ccccc2)cc1 ZINC000101506398 EF Annotated Anodyne COc1ccc(-n2s/c(=N/CCO)nc2-c2ccccc2)cc1 ZINC000101506407 EF Annotated Anodyne N#C/C(=C(/O)CN1CCOCC1)c1nc(-c2ccccc2)cs1 ZINC000101507571 EF Annotated Reactive C=CCN1C[C@H]2C[C@@]3(COc4cc(C)cc(C)c4)C=C[C@]2(O3)C1=O ZINC000101508300 EF Annotated Mild C=CCN1C[C@@H]2C[C@@]3(COc4cc(C)cc(C)c4)C=C[C@]2(O3)C1=O ZINC000101508303 EF Annotated Mild COCCCn1nc2c3c(ccc2c1O)C(=O)c1ccccc1C3=O ZINC000101509881 EF Annotated Clean CCO/C(O)=C1\C(C)=Nc2ncnn2[C@H]1c1ccc(N(C)C)cc1 ZINC000101519997 EF Annotated Clean CCO/C(O)=C1\C(C)=Nc2ncnn2[C@@H]1c1ccc(N(C)C)cc1 ZINC000101520003 EF Annotated Clean CCCSc1ncncc1C(=O)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2 ZINC000101550142 EF Annotated Anodyne CCCSc1ncncc1C(=O)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2 ZINC000101550147 EF Annotated Anodyne CCCSc1ncncc1C(=O)N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 ZINC000101550154 EF Annotated Anodyne CCCSc1ncncc1C(=O)NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2 ZINC000101550161 EF Annotated Anodyne O=C(O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccccc1Br ZINC000101557519 EF Annotated Anodyne CC(C)/C=C/C=C1/COC(=O)[C@@H]2[C@@H]1CC[C@@]1(C)C[C@]2(O)CC[C@@H]1O ZINC000101571070 EF Annotated Anodyne COc1ccc(/C=N/n2cnc3c4ccccc4nc-3c2O)cc1CO ZINC000101588875 EF Annotated Mild C[C@]1(CO)[C@@H](O)C(=O)C[C@@]2(C)[C@H]1CC[C@@]1(C)c3cocc3CC[C@@H]12 ZINC000101591531 EF Annotated Anodyne O=C(O)/C(=C1/OCO/C1=C(/C(=O)O)c1ccccc1)c1ccccc1 ZINC000101599868 EF Annotated Anodyne COCCO/C(O)=C1\C(C)=Nc2nc(C)nn2[C@@H]1c1ccccc1 ZINC000101616233 EF Annotated Anodyne COCCO/C(O)=C1\C(C)=Nc2nc(C)nn2[C@H]1c1ccccc1 ZINC000101616236 EF Annotated Anodyne COc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=Nc2nnnn21 ZINC000101623026 EF Annotated Anodyne COc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=Nc2nnnn21 ZINC000101623028 EF Annotated Anodyne CC1=Nc2nnnn2[C@H](c2cccnc2)/C1=C(\O)OC1CCCCC1 ZINC000101627134 EF Annotated Anodyne CC1=Nc2nnnn2[C@@H](c2cccnc2)/C1=C(\O)OC1CCCCC1 ZINC000101627137 EF Annotated Anodyne NC(=O)[C@@H]1C[C@H](n2cnc(NC(=O)Cc3cccc4ccccc34)c2)C1 ZINC000101634497 EF Annotated Anodyne CCC(=O)Nc1cc[n+](C2=Nc3ccccc3NC2=C(C#N)C#N)cc1 ZINC000101647376 EF Annotated Reactive Cn1cc(-c2ccc(CN3C(=O)[C@H](N)c4ccccc43)c(F)c2)cn1 ZINC000101655210 EF Annotated Anodyne CCOC(=O)C(/C=N/c1ccc(OC)cc1[N+](=O)[O-])=C(/O)OCC ZINC000101660120 EF Annotated Mild COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(O)C[C@H]1C)C2=O ZINC000101663124 EF Annotated Mild CC(=N)/C(C#N)=C(/O)CSc1nnnn1-c1ccc(C)cc1C ZINC000101666208 EF Annotated Reactive C=C1CC[C@@H]2CCC3=C(C(=O)[C@H]([C@H]3O)[C@@]3(C)O[C@@H]3[C@@H](O)C1)C2(C)C ZINC000101668739 EF Annotated Mild CCOC(=O)c1s/c(=N/c2ccc3oc(=O)ccc3c2)n(C)c1C ZINC000101671138 EF Annotated Anodyne C[S@](=O)c1ccc(CCCC[C@H]2CO[C@@](C)(C(=O)O)OC2)cc1 ZINC000101671628 EF Annotated Anodyne C[S@@](=O)c1ccc(CCCC[C@H]2CO[C@@](C)(C(=O)O)OC2)cc1 ZINC000101671630 EF Annotated Anodyne C/C=C1/C=[N+]2[C@H]3C[C@H]1[C@H](C(=O)OC)[C@@H]2Cc1c3[nH]c2ccc(O)cc12 ZINC000101709114 EF Annotated Anodyne CC/N=C(\S)N1[C@@H]2CC[C@@H]1CC(NC(=O)NC1CCCCC1)C2 ZINC000101725913 EF Annotated Mild CC/N=C(\S)N1[C@H]2CC[C@H]1CC(NC(=O)NC1CCCCC1)C2 ZINC000101725922 EF Annotated Mild CCO/C(O)=C1\C(C)=Nc2ncnn2[C@H]1c1cc(OC)ccc1OC ZINC000101731848 EF Annotated Anodyne CCO/C(O)=C1\C(C)=Nc2ncnn2[C@@H]1c1cc(OC)ccc1OC ZINC000101731851 EF Annotated Anodyne COCCO/C(O)=C1\C(C)=Nc2nc(C)nn2[C@@H]1c1ccc(F)cc1 ZINC000101733409 EF Annotated Anodyne COCCO/C(O)=C1\C(C)=Nc2nc(C)nn2[C@H]1c1ccc(F)cc1 ZINC000101733412 EF Annotated Anodyne N=c1sc2c(n1C/C(=N/O)c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000101739068 EF Annotated Mild Cc1nc(-n2nc3c(c2O)CCCC3)nc(O)c1Cc1ccccc1 ZINC000101749476 EF Annotated Anodyne Cn1c(O)c(/N=N/C(=O)CNC(=O)c2ccco2)c2ccccc21 ZINC000101750201 EF Annotated Clean COc1cc2c(cc1OC)[S@](C)(=O)=NC(NCc1ccccc1)=N2 ZINC000101760474 EF Annotated Anodyne Cn1c(O)c(/N=N/C(=O)CNC(=O)c2ccccc2)c2ccccc21 ZINC000101784643 EF Annotated Clean O=C(Cn1ncc2c3ccccc3nc-2c1O)NCCc1ccccc1 ZINC000101786912 EF Annotated Anodyne O=C(CNC(=O)Cc1ccccc1)/N=N/c1c(O)[nH]c2ccccc12 ZINC000101790458 EF Annotated Clean O=C(CNC(=O)/C=C/c1ccco1)/N=N/c1c(O)[nH]c2ccccc12 ZINC000101797994 EF Annotated Clean CC1(C)CC(=O)C=C(NCC(=O)N/N=C\c2ccc(Cl)cc2)C1 ZINC000101815133 EF Annotated Reactive CC1=Nc2nnnn2[C@H](c2cccnc2)/C1=C(\O)OCc1ccccc1 ZINC000101832833 EF Annotated Anodyne CC1=Nc2nnnn2[C@@H](c2cccnc2)/C1=C(\O)OCc1ccccc1 ZINC000101832839 EF Annotated Anodyne COCC/N=C(/S)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccco1 ZINC000101834302 EF Annotated Mild Cc1cc(C)nc(SCc2nc(N)nc(-c3ccccc3O)n2)n1 ZINC000101836286 EF Annotated Anodyne C[C@H](NC(=O)COC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)c1ccccc1 ZINC000101848986 EF Annotated Anodyne C[C@@H](NC(=O)COC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)c1ccccc1 ZINC000101848995 EF Annotated Anodyne C[N+]1([O-])[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000101849641 EF Annotated Bother CC1(C)CC(=O)C=C(NCc2nnc(S)n2-c2ccccc2)C1 ZINC000101853181 EF Annotated Mild O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2CCC[C@@H]1c1cn[nH]c1C2 ZINC000101856719 EF Annotated Anodyne N#C/C(=C(/O)COC(=O)c1ccc(O)cc1)c1nc2ccccc2[nH]1 ZINC000101863123 EF Annotated Reactive COc1cccc(/C=N/Nc2n[nH]c3c4ccccc4nc-3n2)c1OC ZINC000101869656 EF Annotated Mild CSCCNC1=C(F)C(=O)c2c(F)c(F)c(F)c(F)c2C1=O ZINC000101872237 EF Annotated Mild COc1ccc(NC2=CC(=O)c3c(cnc4c3C(=O)CCC4)C2=O)cc1 ZINC000101890248 EF Annotated Mild Cc1nc2c(c3c1C(=O)C(Nc1ccc(O)cc1)=CC3=O)C(=O)CCC2 ZINC000101899944 EF Annotated Mild C/C(O)=C1\C(=O)[C@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O ZINC000101900416 EF Annotated Mild CCOC(=O)Cc1csc(SC/C(O)=C(/C#N)C(C)=N)n1 ZINC000101903926 EF Annotated Reactive COc1ccc(NC2=CC(=O)c3cnc4c(c3C2=O)C(=O)CCC4)cc1 ZINC000101907116 EF Annotated Mild CC[C@H](C)OC(=O)[C@H](C)/N=C/C=C/N[C@@H](C)C(=O)O[C@H](C)CC ZINC000101931690 EF Annotated Mild COc1cc(C(=O)C2=C[C@@H]3C=CN(C)[C@H]3C=C2)cc(OC)c1OC ZINC000101939012 EF Annotated Mild COc1cc(C(=O)C2=C[C@H]3C=CN(C)[C@H]3C=C2)cc(OC)c1OC ZINC000101939019 EF Annotated Mild CC1CCN(C(=O)CSc2n[nH]c3c4ccccc4nc-3n2)CC1 ZINC000101940096 EF Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@@]3(C(F)(F)F)C2=O)cc1 ZINC000102056699 EF Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@@]3(C(F)(F)F)C2=O)cc1 ZINC000102056701 EF Annotated Anodyne CN1C=CCC(C(=O)Nc2ccc([125I])cc2)=C1 ZINC000102083795 EF Annotated Anodyne COc1cccc2c1O[C@@]1(C)[C@H](C)[C@H]2NC(=S)N1C[C@@H]1CCCO1 ZINC000102138166 EF Annotated Anodyne COc1cccc2c1O[C@@]1(C)[C@@H](C)[C@H]2NC(=S)N1C[C@@H]1CCCO1 ZINC000102138169 EF Annotated Anodyne C/C1=C\[C@H]2OC(=O)[C@@H](CN3CCN(C)CC3)[C@@H]2CC/C(C)=C/CC1 ZINC000102204663 EF Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2CCC[C@@H]1c1cncnc1C2 ZINC000102227135 EF Annotated Anodyne CC(C)(O)/C=C/C=C1/COC(=O)[C@H]2C3=CC[C@@H](O)[C@@](C)(CC[C@H]12)C3 ZINC000102234538 EF Annotated Anodyne Cc1n[nH]c2nc3nc4c(c(-c5ccccc5)c3c(=O)n12)CCCC4 ZINC000102241281 EF Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)C=C2C(=C(C(C)C)C(=O)[C@H]2C)CN1 ZINC000102265815 EF Annotated Mild c1c2c(cc3c1OCCO3)[C@@H]1Cc3cc4c(cc3[C@@H](C2)N1)OCCO4 ZINC000102270427 EF Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cc(OC)ccc1OC ZINC000102358309 EF Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cc(OC)ccc1OC ZINC000102358313 EF Annotated Anodyne CCOC(=O)C1=CC[C@]2(C)c3c(c4ccccc4n3C)C(=O)[C@@H]1N2C ZINC000102369828 EF Annotated Anodyne CC1(C)O[C@H]2C3=C4[C@@H](CCC[C@@]42O1)[C@H](C(C)(C)O)C=CC=C3CO ZINC000102393566 EF Annotated Anodyne O=C(CSc1n[nH]c2c3ccccc3nc-2n1)N1CCCCC1 ZINC000102439845 EF Annotated Anodyne Cc1ccc(C(=O)NS(=O)(=O)c2ccc(/N=N\N(C)C)cc2)cc1 ZINC000102446628 EF Annotated Clean CCOC(=O)C(/C=N/c1ccccc1N1CCOCC1)=C(\O)OCC ZINC000102468123 EF Annotated Mild CC/N=C(/S)N1CCN(CC/N=C2/C=C(O)CC(C)(C)C2)CC1 ZINC000102535885 EF Annotated Mild CC(=O)N1CCC(C2=NNC(=O)[C@@H]2/N=N\c2ccc(Cl)cc2)CC1 ZINC000102552408 EF Annotated Clean CC(=O)N1CCC(C2=NNC(=O)[C@H]2/N=N\c2ccc(Cl)cc2)CC1 ZINC000102552413 EF Annotated Clean CC(C)OC(=O)c1ccsc1NC(=O)[C@@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)O ZINC000102607500 EF Annotated Anodyne CC(C)OC(=O)c1ccsc1NC(=O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)O ZINC000102607503 EF Annotated Anodyne Cc1nc(C)c(/C(O)=C\c2nc3ccc([N+](=O)[O-])cc3oc2=O)o1 ZINC000102614802 EF Annotated Bother C[C@H]1C[C@@H](C)CN(C(=O)Cn2ncc3c4ccccc4nc-3c2O)C1 ZINC000102642192 EF Annotated Anodyne C[C@H]1C[C@H](C)CN(C(=O)Cn2ncc3c4ccccc4nc-3c2O)C1 ZINC000102642196 EF Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)Cn2ncc3c4ccccc4nc-3c2O)C1 ZINC000102642197 EF Annotated Anodyne O=C(CNC(=O)/C=C/c1ccco1)/N=N\c1c(O)[nH]c2ccccc12 ZINC000102706691 EF Annotated Clean CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(N(C)C)cc1 ZINC000102734005 EF Annotated Clean CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(N(C)C)cc1 ZINC000102734008 EF Annotated Clean CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N\c1cc(Cl)ccc1Cl ZINC000102745236 EF Annotated Clean O=C(c1ccco1)N1CCN(c2[nH]cnc3c4ccccc4nc2-3)CC1 ZINC000102747647 EF Annotated Anodyne CCOC(=O)c1c(O)c2cc(Br)ccc2n(CC)c1=O ZINC000102774105 EF Annotated Anodyne O=C(/C=C1\NC[C@@H]2c3ccccc3CCN2C1=O)c1ccc(F)cc1 ZINC000102780505 EF Annotated Mild O=C(/C=C1\NC[C@H]2c3ccccc3CCN2C1=O)c1ccc(F)cc1 ZINC000102780507 EF Annotated Mild O=C1Nc2ccccc2[C@H]1c1ccnc(Nc2ccc(O)cc2O)n1 ZINC000102829645 EF Annotated Anodyne C=C1C=C(C(F)F)n2ncc(C(=O)NCc3ccccc3F)c2N1 ZINC000102854804 EF Annotated Anodyne Cc1ccccc1C(=O)N1C[C@H]2[C@H](CN(C)CCc3ccccn3)[C@H]2C1 ZINC000102867276 EF Annotated Anodyne Cc1ccc(C(=O)/C=C2\NC[C@H]3c4ccccc4CCN3C2=O)cc1 ZINC000102881575 EF Annotated Mild Cc1ccc(C(=O)/C=C2\NC[C@@H]3c4ccccc4CCN3C2=O)cc1 ZINC000102881579 EF Annotated Mild Cc1cc(=O)oc2c3c(ccc12)C(=O)/C(=C/NCCCl)C=C3C=O ZINC000102907063 EF Annotated Reactive C=CCN1C(=O)[C@H](CC(=O)NCC)S/C1=N\c1ccccc1CC ZINC000102910947 EF Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)NCC)S/C1=N\c1ccccc1CC ZINC000102910951 EF Annotated Mild COC(=O)[C@@H]1[C@@H]2C[C@@H](C)[C@H](c3ccccc32)N1C(=O)C(F)(F)F ZINC000102913441 EF Annotated Anodyne COC(=O)/C(=C\Nc1cccc(C)n1)S(=O)(=O)c1ccc(C)cc1 ZINC000102918893 EF Annotated Anodyne COC(=O)C1=C(O)CCCC([C@@H]2CCCCC(=O)[C@@H]2C(=O)OC)=C1 ZINC000102920485 EF Annotated Anodyne COC(=O)C1=C(O)CCCC([C@@H]2CCCCC(=O)[C@H]2C(=O)OC)=C1 ZINC000102920487 EF Annotated Anodyne COC(=O)C1=C(O)CCCC([C@H]2CCCCC(=O)[C@@H]2C(=O)OC)=C1 ZINC000102920490 EF Annotated Anodyne COC(=O)C1=C(O)CCCC([C@H]2CCCCC(=O)[C@H]2C(=O)OC)=C1 ZINC000102920494 EF Annotated Anodyne CCOC(=O)c1ccccc1N/C=C1/C(=O)Oc2ccccc2C1=O ZINC000102938586 EF Annotated Mild CC1(C)[C@@H]2CC[C@]1(C)/C(=N/OCCN1CCCC1)[C@H]2N1CCOCC1 ZINC000102942402 EF Annotated Mild CC1(C)[C@H]2CC[C@@]1(C)/C(=N/OCCN1CCCC1)[C@H]2N1CCOCC1 ZINC000102942406 EF Annotated Mild CC1(C)C(=O)C(C(=O)/C=C/c2ccccc2O)=C(O)C(C)(C)C1=O ZINC000102943629 EF Annotated Mild C=C1C(=O)O[C@@]23CC[C@@H]4[C@](C)(CO)CCC[C@@]4(C)[C@@H]2CC[C@@]1(O)C3 ZINC000102955683 EF Annotated Mild C=C1C(=O)O[C@H]2C(=O)[C@H](C)CCC[C@@](C)(O)/C=C\C[C@@]3(C)O[C@@H]3C[C@@H]12 ZINC000102964109 EF Annotated Mild CC1=NNC(=O)[C@@H]1[C@@H]1CC(c2c[nH]c3ccccc23)=NN=C1Cl ZINC000102977629 EF Annotated Anodyne CC1=NNC(=O)[C@H]1[C@@H]1CC(c2c[nH]c3ccccc23)=NN=C1Cl ZINC000102977631 EF Annotated Anodyne CC1=NNC(=O)[C@@H]1[C@H]1CC(c2c[nH]c3ccccc23)=NN=C1Cl ZINC000102977632 EF Annotated Anodyne CC1=NNC(=O)[C@H]1[C@H]1CC(c2c[nH]c3ccccc23)=NN=C1Cl ZINC000102977635 EF Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@](C)(NC(=O)[C@@H]1C(=O)c1ccccc1)O2 ZINC000102978271 EF Annotated Anodyne N#Cc1c(-c2ccc(Cl)cc2Cl)nc2[nH]nc(S)n2c1=O ZINC000102978361 EF Annotated Mild C/C(=N\NC(=S)NCCc1ccccc1)c1ccc(O)cc1O ZINC000102986178 EF Annotated Mild C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CC[C@@H](F)C3)[C@@H]2CC1 ZINC000102987349 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C1=O)[C@@H]34 ZINC000102989106 EF Annotated Anodyne O=C(c1ccco1)[C@H]1CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C1=O)[C@@H]34 ZINC000102989108 EF Annotated Anodyne CN1CC[C@@H]2C[C@@H]1CN(C(=O)Oc1ccc(Br)cc1)C2 ZINC000102992364 EF Annotated Anodyne CC(=O)/C(=N/Nc1ccc2c(=O)cc(C)oc2c1)N1CCCCC1 ZINC000103005566 EF Annotated Mild C=C1C(=O)[C@@]23CC[C@@H]4[C@H](C(=O)OC)C[C@@H](O)C[C@@]4(C)[C@@H]2CC[C@H]1C3 ZINC000103008139 EF Annotated Mild Cc1ccc(C(=O)OCC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1N ZINC000103059160 EF Annotated Anodyne Cc1ccc(C(=O)OCC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1N ZINC000103059162 EF Annotated Anodyne Cc1ccc(C(=O)OCC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1N ZINC000103059165 EF Annotated Anodyne Cc1ccc(C(=O)OCC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1N ZINC000103059167 EF Annotated Anodyne O=C1N=C(C2C(=O)c3ccccc3C2=O)C[C@@H](c2ccccc2O)N1 ZINC000103065516 EF Annotated Clean O=C1N=C(C2C(=O)c3ccccc3C2=O)C[C@H](c2ccccc2O)N1 ZINC000103065517 EF Annotated Clean COc1ccc([C@@H]2CC(C3C(=O)c4ccccc4C3=O)=NC(=O)N2)cc1 ZINC000103066535 EF Annotated Clean COc1ccc([C@H]2CC(C3C(=O)c4ccccc4C3=O)=NC(=O)N2)cc1 ZINC000103066539 EF Annotated Clean CCOC(=O)/C(C#N)=C/[C@@H](C(=O)c1ccccc1)[n+]1ccc(C)cc1 ZINC000103101891 EF Annotated Reactive C=C1C=C(C(F)F)n2ncc(C(=O)NCc3ccc(F)cc3)c2N1 ZINC000103113502 EF Annotated Anodyne COC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)sc1N)C(C)C ZINC000103113957 EF Annotated Anodyne C=C1C=C(C(F)F)n2ncc(C(=O)NCc3ccccc3OC)c2N1 ZINC000103117210 EF Annotated Anodyne COc1ccc(-c2c3c(nc4ncn(N)c(=N)c24)[C@H](C)CCC3)cc1 ZINC000103129641 EF Annotated Anodyne COc1ccc(-c2c3c(nc4ncn(N)c(=N)c24)[C@@H](C)CCC3)cc1 ZINC000103129645 EF Annotated Anodyne COC1=C(C)C(=O)[C@@H]2[C@H](C)[C@@H](c3ccc(OC)c(OC)c3)[C@H]2C1=O ZINC000103130891 EF Annotated Mild COC1=C(C)C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccc(OC)c(OC)c1)[C@H]2C ZINC000103130893 EF Annotated Mild COC1=C(C)C(=O)[C@@H]2[C@@H](C1=O)[C@H](c1ccc(OC)c(OC)c1)[C@H]2C ZINC000103130895 EF Annotated Mild CC(=O)O[C@]12c3ccccc3-c3ccccc3[C@@H]1[C@H]1C(=O)OC(=O)[C@@H]12 ZINC000103132717 EF Annotated Reactive Cc1cc(O)c2c(c1)Cc1cccc(O)c1/C2=N/[C@@H](CS)C(=O)O ZINC000103133034 EF Annotated Mild Cc1cc(O)c2c(c1)Cc1cccc(O)c1/C2=N/[C@H](CS)C(=O)O ZINC000103133037 EF Annotated Mild C=C1[C@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(N=C=O)[C@H]4CC[C@]3(C2)[C@@H]1O ZINC000103144645 EF Annotated Reactive O=C1/C=C/[C@@H](O)[C@@H]2C[C@@H](O)C[C@H]2/C=C/CCC[C@H](C(F)(F)F)O1 ZINC000103146812 EF Annotated Anodyne CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1cnccn1 ZINC000103152126 EF Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1cnccn1 ZINC000103152128 EF Annotated Clean CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1cncnc1 ZINC000103152133 EF Annotated Clean CCOc1ccc(/C(O)=C2\C(=O)CN(C(C)C)C2=O)c(OCC)c1 ZINC000103154555 EF Annotated Mild COc1cc(OC(C)C)ccc1/C(O)=C1\C(=O)CN(C(C)C)C1=O ZINC000103154562 EF Annotated Mild O=C1N/C(=N\c2nccs2)S/C1=C\[C@@H]1C(=O)Nc2ccccc21 ZINC000103155425 EF Annotated Mild Cc1nc2ccccc2c(=O)n1/N=c1\scc(N)n1-c1ccccc1 ZINC000103157686 EF Annotated Anodyne CCCc1cc(C)cc(CCC)c1C1C(=O)N2CCOCCN2C1=O ZINC000103168566 EF Annotated Clean CCc1cc(C)cc(CC)c1C1C(=O)N2C[C@@H](C)O[C@H](C)CN2C1=O ZINC000103169491 EF Annotated Clean CCc1cc(C)cc(CC)c1C1C(=O)N2C[C@H](C)O[C@@H](C)CN2C1=O ZINC000103169493 EF Annotated Clean Cc1cc2c(c(=O)o1)[C@H](c1c[nH]c3ccc(C#N)cc13)C(C#N)=C(N)O2 ZINC000103169601 EF Annotated Reactive Cc1cc2c(c(=O)o1)[C@@H](c1c[nH]c3ccc(C#N)cc13)C(C#N)=C(N)O2 ZINC000103169603 EF Annotated Reactive CC1=CC(=O)/C(=C(/C)Nc2cc(Cl)c([N+](=O)[O-])cc2O)C(=O)O1 ZINC000103171304 EF Annotated Mild NNc1nn2cnnc2c2c1sc1c(Br)cccc12 ZINC000103172083 EF Annotated Bother COc1ccc(-[n+]2noc(O)c2CNc2ccc(Cl)cc2)cc1 ZINC000103172352 EF Annotated Anodyne CC1=C(C(=O)c2ccccc2)[C@H]([C@@H]2C=N[C@H]3C=CC=C[C@@H]32)NC(=O)N1 ZINC000103172673 EF Annotated Mild CCOc1ccc(NCc2c(O)on[n+]2-c2ccc(OC)cc2)cc1 ZINC000103172887 EF Annotated Anodyne CCc1nnc2sc(-c3c[nH]nc3-c3ccc(OC)cc3)nn12 ZINC000103174970 EF Annotated Anodyne O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)CS[C@@H]1c1ccco1 ZINC000103175355 EF Annotated Mild O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)CS[C@H]1c1ccco1 ZINC000103175359 EF Annotated Mild COc1ccc([C@H]2C3=C(CCCC3)Nc3nn[nH]c(=O)c32)cc1OC ZINC000103175682 EF Annotated Anodyne COc1ccc([C@@H]2C3=C(CCCC3)Nc3nn[nH]c(=O)c32)cc1OC ZINC000103175683 EF Annotated Anodyne CCOC(=O)Nc1oc2ccc(C(C)(C)C)cc2c(=O)c1C(N)=O ZINC000103176798 EF Annotated Anodyne Cc1c(Sc2ccccc2)n(OCc2ccccc2)c(=O)[nH]c1=O ZINC000103176890 EF Annotated Anodyne CCOC(=O)[C@H](ON1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000103177028 EF Annotated Anodyne CCOC(=O)[C@@H](ON1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000103177031 EF Annotated Anodyne CCCOc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cn1 ZINC000103177055 EF Annotated Anodyne CCc1nn(C)c(C(=O)NCc2ccc(OC(C)C)nc2)c1Cl ZINC000103177057 EF Annotated Anodyne CC(C)[C@H](N)C(=O)Nc1cc(NC(=O)/C=C/c2ccco2)ccc1O ZINC000103178681 EF Annotated Anodyne CCOCCOC(=O)/C(C#N)=C(/CC)NCc1ccc(Cl)nc1 ZINC000103180756 EF Annotated Reactive CCc1cc(C)cc(CC)c1[C@H]1C(=O)N2CO[C@@H](CC)CN2C1=O ZINC000103183055 EF Annotated Clean CCc1cc(C)cc(CC)c1[C@@H]1C(=O)N2CO[C@@H](CC)CN2C1=O ZINC000103183057 EF Annotated Clean CCc1cc(C)cc(CC)c1[C@H]1C(=O)N2CO[C@H](CC)CN2C1=O ZINC000103183059 EF Annotated Clean CCc1cc(C)cc(CC)c1[C@@H]1C(=O)N2CO[C@H](CC)CN2C1=O ZINC000103183061 EF Annotated Clean CCN(CC)C(=S)SC1(C#N)SCC(N(C)C)CS1 ZINC000103184245 EF Annotated Mild Cc1ccc(S(=O)(=O)/N=C(/c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000103184766 EF Annotated Mild Cc1ccc(S(=O)(=O)/N=C(/C[C@@H](C)Br)N(C)C)cc1 ZINC000103184876 EF Annotated Reactive Cc1ccc(S(=O)(=O)/N=C(/C[C@H](C)Br)N(C)C)cc1 ZINC000103184878 EF Annotated Reactive Cc1nn(C)c(C(=O)Nc2nnc(C(F)(F)F)s2)c1Cl ZINC000103185249 EF Annotated Anodyne CCc1nn(C)c(C(=O)Nc2nnc(C(F)(F)F)s2)c1Cl ZINC000103185251 EF Annotated Anodyne CC(C)c1c(Sc2ccccc2)n(OCCO)c(=S)[nH]c1=O ZINC000103186234 EF Annotated Anodyne COc1ccc(-c2nnc(-c3cnc4ccccn4c3=O)s2)cc1 ZINC000103186830 EF Annotated Anodyne Nn1c(COc2ccc(Cl)cc2)nc2ccc(Cl)cc2c1=O ZINC000103187344 EF Annotated Anodyne Nn1c(COc2ccc(Cl)cc2)nc2cc(Cl)ccc2c1=O ZINC000103187348 EF Annotated Anodyne CCOC(=O)/C=C(\C)C[C@H]1OC[C@@H](C/C=C/[C@@H](C)[C@H](C)O)CO1 ZINC000103187607 EF Annotated Anodyne C=CCOC(=O)[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 ZINC000103188959 EF Annotated Reactive C=CCOC(=O)[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 ZINC000103188962 EF Annotated Reactive CCCCCCCNC(=O)C1(C#N)SCC(N(C)C)CS1 ZINC000103190169 EF Annotated Mild CCS(=O)(=O)c1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])CCCC2(C)C ZINC000103190794 EF Annotated Bother NC1=N/C(=N\NC(=O)c2cc(Cl)ccn2)c2ccc3ccccc3c21 ZINC000103190826 EF Annotated Reactive COc1ccc(-[n+]2noc(O)c2CNc2ccccc2Cl)cc1 ZINC000103191659 EF Annotated Anodyne CCc1cc(C)cc(CC)c1C1C(=O)N2[C@@H](C)COC[C@H](C)N2C1=O ZINC000103192086 EF Annotated Clean CCc1cc(C)cc(CC)c1C1C(=O)N2[C@H](C)COC[C@@H](C)N2C1=O ZINC000103192087 EF Annotated Clean CCc1cc(C)cc(CC)c1[C@@H]1C(=O)N2CCO[C@H](CC)CN2C1=O ZINC000103192104 EF Annotated Clean CCc1cc(C)cc(CC)c1[C@H]1C(=O)N2CCO[C@H](CC)CN2C1=O ZINC000103192107 EF Annotated Clean CCc1cc(C)cc(CC)c1[C@@H]1C(=O)N2CCO[C@@H](CC)CN2C1=O ZINC000103192109 EF Annotated Clean CCc1cc(C)cc(CC)c1[C@H]1C(=O)N2CCO[C@@H](CC)CN2C1=O ZINC000103192112 EF Annotated Clean CCOC(=O)/C=C(\C)C[C@H]1OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)CO1 ZINC000103192817 EF Annotated Anodyne C#CCOc1cccc(Oc2ccccc2/C(=N\OC)C(=O)NC)c1 ZINC000103192854 EF Annotated Mild CNC(=O)[C@@H](OC)c1ccccc1CO/N=C(\C)c1ccc(O)cc1 ZINC000103192874 EF Annotated Mild CNC(=O)[C@H](OC)c1ccccc1CO/N=C(\C)c1ccc(O)cc1 ZINC000103192876 EF Annotated Mild CCOC(=O)[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 ZINC000103194227 EF Annotated Reactive CCOC(=O)[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 ZINC000103194230 EF Annotated Reactive CC(=O)/C=C/N1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@]32[C@H]1O4 ZINC000103195961 EF Annotated Reactive N#Cc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000103200211 EF Annotated Mild CCOCCOC(=O)/C(C#N)=C(\NCc1ncc(C(C)C)o1)C(C)C ZINC000103200524 EF Annotated Reactive CCC1(CC)C[C@H](CN2CCN(C(=O)c3ccccc3)CC2)OC1=O ZINC000103201579 EF Annotated Anodyne CCC1(CC)C[C@@H](CN2CCN(C(=O)c3ccccc3)CC2)OC1=O ZINC000103201582 EF Annotated Anodyne S=C1NNC2(C[C@H](c3ccccc3)O[C@@H](c3ccccc3)C2)N1 ZINC000103202830 EF Annotated Anodyne S=C1NNC2(C[C@@H](c3ccccc3)O[C@H](c3ccccc3)C2)N1 ZINC000103202833 EF Annotated Anodyne CCC1(CC)C[C@H](CN2CCN(c3ccc(OC)cc3)CC2)OC1=O ZINC000103202960 EF Annotated Clean CCC1(CC)C[C@@H](CN2CCN(c3ccc(OC)cc3)CC2)OC1=O ZINC000103202962 EF Annotated Clean CC(C)NC(=O)c1ccc(Cl)cc1C(=O)N/N=C/c1ccco1 ZINC000103204125 EF Annotated Reactive C#C[C@@]1(O)C[C@](C)(C(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000103204496 EF Annotated Mild O=C1Nc2ccccc2/C1=N/n1c(CCc2ccccc2)n[nH]c1=S ZINC000103204786 EF Annotated Mild CS(=O)(=O)N[C@@H]1CCCCCCCCCCC(=O)NCCC1 ZINC000103206304 EF Annotated Anodyne CS(=O)(=O)N[C@H]1CCCCCCCCCCC(=O)NCCC1 ZINC000103206307 EF Annotated Anodyne Cc1ccc(NC(=O)NS(=O)(=O)[C@@H]2CCCCCC2=O)c(C)c1 ZINC000103206519 EF Annotated Anodyne Cc1ccc(NC(=O)NS(=O)(=O)[C@H]2CCCCCC2=O)c(C)c1 ZINC000103206522 EF Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc(Br)cn1 ZINC000103211102 EF Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Br)cn1)[C@H]1C=C[C@H]2CC1 ZINC000103211105 EF Annotated Anodyne CCOC(=O)Cn1nc(Nc2ccc(Cl)cc2Cl)ccc1=O ZINC000103211170 EF Annotated Anodyne CCOC(=O)Cn1nc(Nc2c(Cl)cccc2Cl)ccc1=O ZINC000103211174 EF Annotated Anodyne CC(C)(O)[C@H](O)Cc1c(O)cc(/C=C/c2ccc(O)cc2)cc1O ZINC000103211702 EF Annotated Anodyne CC(C)(O)[C@@H](O)Cc1c(O)cc(/C=C/c2ccc(O)cc2)cc1O ZINC000103211704 EF Annotated Anodyne CCn1cc(C(=O)N/N=C/c2ccccc2C)c(=O)c2ccc(C)nc21 ZINC000103212622 EF Annotated Reactive CCC1(CC)C[C@H](CN2CCN(c3ccc(C#N)cc3)CC2)OC1=O ZINC000103212805 EF Annotated Mild CCC1(CC)C[C@@H](CN2CCN(c3ccc(C#N)cc3)CC2)OC1=O ZINC000103212808 EF Annotated Mild CC1(C)OC(=O)[C@H]2C[C@@H](Br)[C@H](Br)C[C@H]21 ZINC000103214024 EF Annotated Reactive CCn1cc(C(=O)N/N=C/c2cccc(C)c2)c(=O)c2ccc(C)nc21 ZINC000103214048 EF Annotated Reactive CCn1cc(C(=O)N/N=C/c2ccc(C)cc2)c(=O)c2ccc(C)nc21 ZINC000103214051 EF Annotated Reactive Cc1ccn2c(CN(C)C)c(-c3ccc(O)c([N+](=O)[O-])c3)nc2c1 ZINC000103214670 EF Annotated Bother Cc1ccn2c(CN(C)C)c(-c3cc([N+](=O)[O-])c(O)cc3O)nc2c1 ZINC000103214674 EF Annotated Bother C[C@@]12C[C@H](c3ccccc3O1)[C@@H](C(=O)Nc1ccc(F)cc1)C(=O)N2 ZINC000103215757 EF Annotated Anodyne O=C(NCc1nn2c(Cc3ccccc3)nnc2s1)c1ccccc1 ZINC000103216200 EF Annotated Anodyne CCO[C@@H]1C[C@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C ZINC000103216413 EF Annotated Anodyne CCO[C@H]1C[C@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C ZINC000103216414 EF Annotated Anodyne CCO[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C ZINC000103216417 EF Annotated Anodyne CCO[C@H]1C[C@@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C ZINC000103216419 EF Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CC[C@H](OC)N1C ZINC000103217819 EF Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CC[C@@H](OC)N1C ZINC000103217822 EF Annotated Anodyne CO/N=C/c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1 ZINC000103218503 EF Annotated Mild COc1ccc([C@@H]2OC(c3ccc(F)cc3)=NN2C(C)=O)cc1O ZINC000103220593 EF Annotated Anodyne COc1ccc([C@H]2OC(c3ccc(F)cc3)=NN2C(C)=O)cc1O ZINC000103220594 EF Annotated Anodyne CCCN(CCC)CC(=O)Nn1c(S)nnc1-c1ccc(C)cc1 ZINC000103220734 EF Annotated Anodyne Cc1ccc(-c2nnc(S)n2NC(=O)CN(C(C)C)C(C)C)cc1 ZINC000103220736 EF Annotated Anodyne CCn1cc(C(=O)NN=C2CCCCC2)c(=O)c2ccc(C)nc21 ZINC000103220894 EF Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\NCc1cc(C(C)C)no1)C(C)C ZINC000103220920 EF Annotated Reactive CCC1(CC)C[C@H](CN2CCN(c3ccc(O)cc3)CC2)OC1=O ZINC000103221305 EF Annotated Anodyne CCC1(CC)C[C@@H](CN2CCN(c3ccc(O)cc3)CC2)OC1=O ZINC000103221307 EF Annotated Anodyne Cc1ccc(-c2cnnc(N3CC[C@H](c4ccc(O)c(O)c4)C3)n2)o1 ZINC000103224716 EF Annotated Clean Cc1ccc(-c2cnnc(N3CC[C@@H](c4ccc(O)c(O)c4)C3)n2)o1 ZINC000103224719 EF Annotated Clean COC(=O)c1cc2c(OC[C@@H](N)CC(C)C)ccc(OC)c2n1C ZINC000103224962 EF Annotated Anodyne CC[C@H](C)[C@H](N)COc1ccc(OC)c2c1cc(C(=O)OC)n2C ZINC000103224966 EF Annotated Anodyne N#CC(=C\c1ccc(F)cc1)/C=C1\SC(=S)N(CC(=O)O)C1=O ZINC000103229565 EF Annotated Reactive S=C1N[C@@H]2/C(=C/c3ccccc3)CNC[C@H]2[C@@H](c2ccccc2)N1 ZINC000103230990 EF Annotated Anodyne S=C1N[C@@H]2/C(=C/c3ccccc3)CNC[C@@H]2[C@@H](c2ccccc2)N1 ZINC000103230992 EF Annotated Anodyne S=C1N[C@H](c2ccccc2)[C@@H]2CNC/C(=C\c3ccccc3)[C@@H]2N1 ZINC000103230993 EF Annotated Anodyne S=C1N[C@H](c2ccccc2)[C@H]2CNC/C(=C\c3ccccc3)[C@@H]2N1 ZINC000103230995 EF Annotated Anodyne CCOC(=O)Sc1ncnc2c(C(=O)OCC)c3n(c12)CCC3 ZINC000103233020 EF Annotated Anodyne CCCCCc1ccc(-c2cn([C@H]3C[C@H](CO)N(C)O3)nn2)cc1 ZINC000103235518 EF Annotated Anodyne CCCCCc1ccc(-c2cn([C@@H]3C[C@H](CO)N(C)O3)nn2)cc1 ZINC000103235521 EF Annotated Anodyne CN1C(=O)C(/C=N/c2ccc(-c3ccccc3)cc2)C(=O)N(C)C1=O ZINC000103235871 EF Annotated Mild O=C(CN1CCc2sccc2C1)N/N=C/c1ccc(Cl)cc1 ZINC000103238997 EF Annotated Reactive O=C(CN1CCc2sccc2C1)N/N=C/c1ccccc1Cl ZINC000103239881 EF Annotated Reactive O=S1(=O)C=Cc2cc(-n3cc(-c4cccc(F)c4)nn3)ccc2O1 ZINC000103241895 EF Annotated Anodyne O=S1(=O)C=Cc2cc(-n3nncc3-c3cccc(F)c3)ccc2O1 ZINC000103241916 EF Annotated Anodyne O=S1(=O)C=Cc2cc(-n3nncc3-c3ccc(F)cc3)ccc2O1 ZINC000103241918 EF Annotated Anodyne C/C(=N\NC(=O)c1ccncc1)c1cccc(CN2CCCC2)c1O ZINC000103242075 EF Annotated Reactive CC(C)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(C2CCCCC2)CC1 ZINC000103244114 EF Annotated Anodyne CC(C)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(C2CCCCC2)CC1 ZINC000103244116 EF Annotated Anodyne C[C@@H]1NC(c2ccc(N(C)C)cc2)=Nc2nc3ccccn3c2C1=O ZINC000103245067 EF Annotated Anodyne O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1scnc1[C@H]1CCCO1 ZINC000103247034 EF Annotated Anodyne O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1scnc1[C@H]1CCCO1 ZINC000103247038 EF Annotated Anodyne O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1scnc1[C@H]1CCCO1 ZINC000103247041 EF Annotated Anodyne CN(C)CCNS(=O)(=O)Cc1ccc(/C=C/c2ccccc2)cc1 ZINC000103249017 EF Annotated Anodyne CC[C@H](C)NCCS(=O)(=O)Cc1ccc(Br)cc1 ZINC000103249135 EF Annotated Anodyne CC[C@@H](C)NCCS(=O)(=O)Cc1ccc(Br)cc1 ZINC000103249136 EF Annotated Anodyne C[N+]1(CCS(=O)(=O)Cc2ccc(Br)cc2)CCCC1 ZINC000103249144 EF Annotated Bother O=S(=O)(CCCN1CCCC1)Cc1ccc(Br)cc1 ZINC000103249146 EF Annotated Anodyne C[N+](C)(C)CCO[P@](=O)(O)Cc1ccc(Br)cc1 ZINC000103250447 EF Annotated Bother Cc1ccc(OC[C@H](O)CNc2nccc3c2C(=O)OC3(C)C)cc1 ZINC000103252056 EF Annotated Anodyne Cc1ccc(OC[C@@H](O)CNc2nccc3c2C(=O)OC3(C)C)cc1 ZINC000103252058 EF Annotated Anodyne NC(=O)c1c(-c2ccc3ccccc3c2)nn(CC(F)(F)F)c1N ZINC000103252508 EF Annotated Anodyne O=C1NC(=O)c2c1c1cnn(-c3ccccc3Cl)c1n1cccc21 ZINC000103254118 EF Annotated Anodyne O=C1NC(=O)c2c1c1cnn(-c3cccc(Cl)c3)c1n1cccc21 ZINC000103254122 EF Annotated Anodyne O=C1NC(=O)c2c1c1cnn(-c3ccc(Cl)cc3)c1n1cccc21 ZINC000103254124 EF Annotated Anodyne Cc1ccccc1-n1nc(C)c2c3c(c4cccn4c21)C(=O)NC3=O ZINC000103254137 EF Annotated Anodyne CC(=O)N1CCc2c(c3cc(Br)ccc3n2C(C)=O)C1 ZINC000103255619 EF Annotated Anodyne N#Cc1cccc(-c2cn(CCCCCn3cccc(O)c3=O)nn2)c1 ZINC000103255674 EF Annotated Mild N#Cc1ccc(-c2cn(CCCCCn3cccc(O)c3=O)nn2)cc1 ZINC000103255678 EF Annotated Mild O=C(/C=C/c1cccc(Br)c1)N1C[C@@H]2CNC[C@@H](C2)C1 ZINC000103257396 EF Annotated Anodyne CC(C)N1CCC(Oc2ccc(C3=NN(C)C(=O)[C@H]4C[C@H]34)cc2)CC1 ZINC000103260408 EF Annotated Anodyne CC(C)N1CCC(Oc2ccc(C3=NN(C)C(=O)[C@@H]4C[C@H]34)cc2)CC1 ZINC000103260409 EF Annotated Anodyne CC(C)N1CCC(Oc2ccc(C3=NN(C)C(=O)[C@H]4C[C@@H]34)cc2)CC1 ZINC000103260413 EF Annotated Anodyne CC(C)N1CCC(Oc2ccc(C3=NN(C)C(=O)[C@@H]4C[C@@H]34)cc2)CC1 ZINC000103260414 EF Annotated Anodyne OCCN(CCO)Cc1c(O)ccc2oc(Cc3ccccc3)cc12 ZINC000103262328 EF Annotated Clean N=C1NC(c2ccc(Cl)cc2)=C(CC(=O)O)[C@@H](c2ccco2)N1 ZINC000103262454 EF Annotated Anodyne N=C1NC(c2ccc(Cl)cc2)=C(CC(=O)O)[C@H](c2ccco2)N1 ZINC000103262456 EF Annotated Anodyne N=C1NC(c2ccc(Cl)cc2)=C(CC(=O)O)[C@@H](c2cccnc2)N1 ZINC000103262458 EF Annotated Anodyne N=C1NC(c2ccc(Cl)cc2)=C(CC(=O)O)[C@H](c2cccnc2)N1 ZINC000103262461 EF Annotated Anodyne O=C1CN(CCCCCN2CCCC2)c2ccc([N+](=O)[O-])cc2N1 ZINC000103262731 EF Annotated Bother CN1C(=O)CN(CCCCCN2CCCC2)c2ccc([N+](=O)[O-])cc21 ZINC000103262745 EF Annotated Bother CNc1nc(NCCCN(C)C)c2sc(Br)cc2n1 ZINC000103263034 EF Annotated Anodyne CNc1nc(NCCCN(C)C)c2sc(-c3cncnc3)cc2n1 ZINC000103263108 EF Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CC)c2s1 ZINC000103264858 EF Annotated Anodyne O=C1CSC(=S)N1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000103265635 EF Annotated Clean O=C1CSC(=S)N1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000103265645 EF Annotated Clean O=C1CSC(=S)N1Cc1nnc(-c2ccccc2Cl)o1 ZINC000103265652 EF Annotated Clean CC(C)C[C@H]1CN(C(=O)C#Cc2ccccc2)[C@@H](CC(C)C)C(=O)N1 ZINC000103267060 EF Annotated Mild CCO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1OCC)[C@@H]23)OCO5 ZINC000103268951 EF Annotated Anodyne COC1=C(Br)C(=O)c2nc(-c3ccccn3)ccc2C1=O ZINC000103269678 EF Annotated Mild C#CCNCCc1cc(OC)c(Br)cc1Br ZINC000103269929 EF Annotated Mild O=C1NCCn2c(-c3ccc(OCCF)cc3)nc3cccc1c32 ZINC000103270631 EF Annotated Anodyne N#Cc1cc2cnc(Nc3ccccn3)nc2n(C2CCCC2)c1=O ZINC000103271593 EF Annotated Mild O=c1cc(-n2cc(COc3ccccc3)nn2)c2cc(O)ccc2o1 ZINC000103271634 EF Annotated Anodyne CCOc1ccc(/C(O)=C2\C(=O)[C@H](C)N(C(C)C)C2=O)c(OC)c1 ZINC000103272093 EF Annotated Mild CCOc1ccc(/C(O)=C2\C(=O)[C@@H](C)N(C(C)C)C2=O)c(OC)c1 ZINC000103272094 EF Annotated Mild C=CCOc1ccc(/C(O)=C2\C(=O)[C@@H](C)N(C(C)C)C2=O)c(OC)c1 ZINC000103272096 EF Annotated Mild C=CCOc1ccc(/C(O)=C2\C(=O)[C@H](C)N(C(C)C)C2=O)c(OC)c1 ZINC000103272097 EF Annotated Mild COc1cc(OC(C)C)ccc1/C(O)=C1\C(=O)[C@@H](C)N(C(C)C)C1=O ZINC000103272099 EF Annotated Mild COc1cc(OC(C)C)ccc1/C(O)=C1\C(=O)[C@H](C)N(C(C)C)C1=O ZINC000103272101 EF Annotated Mild Cc1cn(-c2cccc(C(F)(F)F)c2)/c(=N\S(C)(=O)=O)s1 ZINC000103272349 EF Annotated Anodyne COC(=O)N1CC(F)(F)[C@](O)(C#Cc2cccc(C)c2)[C@@H]2CCC[C@@H]21 ZINC000103273428 EF Annotated Mild COC(=O)N1CC(F)(F)[C@@](O)(C#Cc2cccc(C)c2)[C@@H]2CCC[C@@H]21 ZINC000103273431 EF Annotated Mild CCOC(=O)C(=O)CC(=O)/C=C/c1cccn1Cc1ccccc1C ZINC000103273801 EF Annotated Mild O=C1N[C@H]2CCCC[C@H]2N=C1/C=N/Nc1ccc(Br)cc1 ZINC000103274483 EF Annotated Mild O=C1N[C@H]2CCCC[C@@H]2N=C1/C=N/Nc1ccc(Br)cc1 ZINC000103274486 EF Annotated Mild O=C1N[C@@H]2CCCC[C@H]2N=C1/C=N/Nc1ccc(Br)cc1 ZINC000103274488 EF Annotated Mild O=C1N[C@@H]2CCCC[C@@H]2N=C1/C=N/Nc1ccc(Br)cc1 ZINC000103274490 EF Annotated Mild O=C1C[C@H]2C[C@H]2C(=O)[C@@H]1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000103275126 EF Annotated Bother O=C1C[C@H]2C[C@H]2C(=O)[C@H]1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000103275128 EF Annotated Bother CCCCCc1cn(-c2ccc(CCN3CCC(O)CC3)cc2)nn1 ZINC000103275254 EF Annotated Anodyne CCOc1ccc(-n2cc(Cn3c(=O)oc4ccccc43)nn2)cc1 ZINC000103275512 EF Annotated Anodyne CCOc1ccc(NC2=C(Cl)C(=O)c3ncncc3C2=O)cc1 ZINC000103275867 EF Annotated Mild CCCCOC1=C(Br)c2nc3ccccn3c2C(=O)C1=O ZINC000103275893 EF Annotated Mild Cc1cc(C)n(Cc2n[nH]c(=S)n2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000103276306 EF Annotated Bother COCN1[C@@H](c2ccccc2)CS(=O)(=O)C[C@H]1c1ccccc1 ZINC000103277473 EF Annotated Anodyne COCN1[C@@H](c2ccccc2)CS(=O)(=O)C[C@@H]1c1ccccc1 ZINC000103277475 EF Annotated Anodyne COCN1[C@H](c2ccccc2)CS(=O)(=O)C[C@H]1c1ccccc1 ZINC000103277476 EF Annotated Anodyne COc1cccc(OC)c1-c1nnc(-c2cc([N+](=O)[O-])cn2C)o1 ZINC000103278110 EF Annotated Bother CC(C)[C@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000103279065 EF Annotated Reactive CC(C)[C@@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000103279067 EF Annotated Reactive N#Cc1c(NC(=O)CCl)c(C(=O)Nc2ccccc2)n2c1CCC2 ZINC000103280016 EF Annotated Reactive N#Cc1c2c(n3c1CCC3)C(=O)N(c1ccc(Cl)cc1)CC(=O)N2 ZINC000103280035 EF Annotated Mild CCOCCOC(=O)/C(C#N)=C(/CC)NCc1cnc(Cl)s1 ZINC000103281007 EF Annotated Reactive CCCOC1=C(Br)c2nc3ccccn3c2C(=O)C1=O ZINC000103281868 EF Annotated Mild CCc1n[nH]cc1/C=N/n1c(OCc2ccc(C)cc2)n[nH]c1=S ZINC000103281892 EF Annotated Mild O=C1[C@@H]([C@H](O)c2ccc(O)c(O)c2)CCCN1Cc1ccccc1 ZINC000103282650 EF Annotated Clean O=C1[C@H]([C@H](O)c2ccc(O)c(O)c2)CCCN1Cc1ccccc1 ZINC000103282652 EF Annotated Clean O=C1[C@@H]([C@@H](O)c2ccc(O)c(O)c2)CCCN1Cc1ccccc1 ZINC000103282654 EF Annotated Clean O=C1[C@H]([C@@H](O)c2ccc(O)c(O)c2)CCCN1Cc1ccccc1 ZINC000103282656 EF Annotated Clean Cc1nn(-c2ccccc2)c(=O)n1-c1nnc(-c2ccccc2)s1 ZINC000103282730 EF Annotated Anodyne O=C1[C@@H]([C@H](O)c2ccc3c(c2)OCCO3)CCCN1c1ccccc1 ZINC000103282778 EF Annotated Anodyne O=C1[C@H]([C@H](O)c2ccc3c(c2)OCCO3)CCCN1c1ccccc1 ZINC000103282779 EF Annotated Anodyne O=C1[C@@H]([C@@H](O)c2ccc3c(c2)OCCO3)CCCN1c1ccccc1 ZINC000103282782 EF Annotated Anodyne O=C1[C@H]([C@@H](O)c2ccc3c(c2)OCCO3)CCCN1c1ccccc1 ZINC000103282785 EF Annotated Anodyne O=C(CCl)N[C@H](Cc1ccco1)C(=O)Nc1cccc(Cl)c1 ZINC000103283287 EF Annotated Reactive O=C(CCl)N[C@@H](Cc1ccco1)C(=O)Nc1cccc(Cl)c1 ZINC000103283288 EF Annotated Reactive O=S1(=O)N=C(Nc2nnc(-c3ccccc3)s2)c2ccccc21 ZINC000103284161 EF Annotated Anodyne Cc1cc(C)nc(N2N=C(c3ccccc3)C[C@@]2(O)C(F)(F)F)n1 ZINC000103285624 EF Annotated Anodyne CC(=O)Oc1ccccc1C(=O)N[C@@H]1[C@H]2CC[C@@](C)([C@@H]1O)C2(C)C ZINC000103285675 EF Annotated Anodyne Cc1ccc2c(c1)C(=O)N(CCOC(=O)c1cc(F)ccc1F)C2=O ZINC000103286155 EF Annotated Anodyne COc1cc(/C=C/c2nnc(-c3cc([N+](=O)[O-])cn3C)o2)ccc1O ZINC000103287108 EF Annotated Bother C[C@@H](COC(=O)c1cc(F)ccc1F)N1C(=O)c2ccccc2C1=O ZINC000103288990 EF Annotated Anodyne C[C@H](COC(=O)c1cc(F)ccc1F)N1C(=O)c2ccccc2C1=O ZINC000103288993 EF Annotated Anodyne C[C@@H](CN1C(=O)c2ccccc2C1=O)OC(=O)c1cc(F)ccc1F ZINC000103288998 EF Annotated Anodyne C[C@H](CN1C(=O)c2ccccc2C1=O)OC(=O)c1cc(F)ccc1F ZINC000103289001 EF Annotated Anodyne C[C@]12C[C@H]([C@@H]3CCOC3)OC(=O)[C@@H]1CC[C@@]13COC(=O)[C@H]1CCC[C@H]32 ZINC000103289269 EF Annotated Anodyne C[C@]12C[C@H]([C@H]3CCOC3)OC(=O)[C@@H]1CC[C@@]13COC(=O)[C@H]1CCC[C@H]32 ZINC000103289271 EF Annotated Anodyne Cc1nc2ccc(C#N)cc2c2c1C(=O)[C@@H](c1c(C)nn(C)c1C)C2=O ZINC000103289489 EF Annotated Mild Cc1nc2ccc(C#N)cc2c2c1C(=O)[C@H](c1c(C)nn(C)c1C)C2=O ZINC000103289491 EF Annotated Mild CC(C)NC(=O)SCC(CSC(=O)NC(C)C)CN(C)C ZINC000103292636 EF Annotated Anodyne CCOc1ccc(/C(O)=C2\C(=O)CN([C@H](C)CC)C2=O)c(OC)c1 ZINC000103293268 EF Annotated Mild CCOc1ccc(/C(O)=C2\C(=O)CN([C@@H](C)CC)C2=O)c(OC)c1 ZINC000103293270 EF Annotated Mild O=C(NN1C(=O)[C@@H](Cl)[C@H]1c1ccccc1Cl)c1ccncc1 ZINC000103293931 EF Annotated Reactive O=C(NN1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1Cl)c1ccncc1 ZINC000103293933 EF Annotated Reactive O=C(NN1C(=O)[C@H](Cl)[C@H]1c1ccccc1Cl)c1ccncc1 ZINC000103293936 EF Annotated Reactive O=C(NN1C(=O)[C@H](Cl)[C@@H]1c1ccccc1Cl)c1ccncc1 ZINC000103293938 EF Annotated Reactive CC1=NN(c2ccc(Br)cc2Br)C(=O)C1=O ZINC000103294290 EF Annotated Clean Oc1ccc(C(=S)N(c2ccccc2)c2nnns2)c(O)c1 ZINC000103294857 EF Annotated Anodyne CC[C@@H](C)N1CC(=O)/C(=C(/O)c2ccc(OC(C)C)cc2OC)C1=O ZINC000103296146 EF Annotated Mild CC[C@H](C)N1CC(=O)/C(=C(/O)c2ccc(OC(C)C)cc2OC)C1=O ZINC000103296148 EF Annotated Mild O=C(NN1C(=O)[C@@H](Cl)[C@H]1c1ccc(Cl)cc1)c1ccncc1 ZINC000103296999 EF Annotated Reactive O=C(NN1C(=O)[C@@H](Cl)[C@@H]1c1ccc(Cl)cc1)c1ccncc1 ZINC000103297002 EF Annotated Reactive O=C(NN1C(=O)[C@H](Cl)[C@H]1c1ccc(Cl)cc1)c1ccncc1 ZINC000103297003 EF Annotated Reactive O=C(NN1C(=O)[C@H](Cl)[C@@H]1c1ccc(Cl)cc1)c1ccncc1 ZINC000103297005 EF Annotated Reactive COc1cc(/C=C2\C(=O)NC(=O)C3=C2CCCC3)cc(OC)c1OC ZINC000103298165 EF Annotated Anodyne Cc1ccc(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000103299048 EF Annotated Bother Cc1nc(C)c(CSc2nnc(-c3cccs3)n2N)nc1C ZINC000103300836 EF Annotated Anodyne Cc1c(Cc2ccccc2)sc(CC(=O)CCC(=O)O)c1C(N)=O ZINC000103301032 EF Annotated Anodyne CCOC(=O)CCCCN1N=C2c3ccccc3CC[C@H]2CC1=O ZINC000103301548 EF Annotated Anodyne CCOC(=O)CCCCN1N=C2c3ccccc3CC[C@@H]2CC1=O ZINC000103301550 EF Annotated Anodyne Cc1cc([C@H]2C3=C(CCCC3=O)NC3=C2S(=O)(=O)CC3)ccc1F ZINC000103303635 EF Annotated Mild O=C(O)c1ccccc1/N=c1\c([N+](=O)[O-])c(O)oc2ccccc12 ZINC000103521616 EF Annotated Bother CNC(=N)N1C=CC[C@@]2(C1)[C@@H]1CC[C@@H](C)[C@]23CCC(C(=O)O)=C3C1 ZINC000103524994 EF Annotated Anodyne in-vitro biogenic CNC(=N)N[C@H]1CC[C@]2(C)CC[C@@H]3CC4=C(C(=O)O)CC[C@@]42[C@]13C ZINC000103525045 EF Annotated Anodyne in-vitro biogenic Oc1cc(C2CCN(Cc3cncn3Cc3ccccc3)CC2)ncn1 ZINC000103525794 EF Annotated Anodyne COc1ccccc1[C@@H]1/C(=C(\O)OC(C)C)C(C)=Nc2nnnn21 ZINC000103529768 EF Annotated Anodyne COc1ccccc1[C@H]1/C(=C(\O)OC(C)C)C(C)=Nc2nnnn21 ZINC000103529772 EF Annotated Anodyne C/N=c1\c(NS(=O)(=O)Cc2ccccc2)c(O)oc2ccccc12 ZINC000103532141 EF Annotated Anodyne Cc1ccc(-c2c(O)c(=O)/c2=N\CCCN2CCC[C@H](C)C2)cc1 ZINC000103535549 EF Annotated Anodyne Cc1ccc(-c2c(O)c(=O)/c2=N\CCCN2CCC[C@@H](C)C2)cc1 ZINC000103535559 EF Annotated Anodyne Cc1ccc(NC(=O)Cn2ncc3c4ccccc4nc-3c2O)nc1 ZINC000103535927 EF Annotated Anodyne Cc1ccnc(NC(=O)Cn2ncc3c4ccccc4nc-3c2O)c1 ZINC000103536083 EF Annotated Anodyne Cc1ccc2nc3c(O)n(CC(=O)NCCC(C)C)ncc-3c2c1 ZINC000103536649 EF Annotated Anodyne Cc1ccc2nc3c(O)n(CC(=O)NC4CCCCC4)ncc-3c2c1 ZINC000103536844 EF Annotated Anodyne Cc1ccc2nc3c(O)n(CC(=O)Nc4cccnc4)ncc-3c2c1 ZINC000103536869 EF Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3ncnn32)c(OC)c1 ZINC000103538404 EF Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=Nc3ncnn32)c(OC)c1 ZINC000103538409 EF Annotated Anodyne COCC1=Nc2ncnn2[C@H](c2ccc(Cl)cc2)/C1=C(/O)OC ZINC000103538652 EF Annotated Anodyne COCC1=Nc2ncnn2[C@@H](c2ccc(Cl)cc2)/C1=C(/O)OC ZINC000103538654 EF Annotated Anodyne C=CCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccccc1OCC ZINC000103538904 EF Annotated Mild C=CCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccccc1OCC ZINC000103538908 EF Annotated Mild CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cccc(OC)c1OC ZINC000103538963 EF Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cccc(OC)c1OC ZINC000103538971 EF Annotated Anodyne CCC1=Nc2ncnn2[C@H](c2cccc(OC)c2OC)/C1=C(/O)OC ZINC000103539431 EF Annotated Anodyne CCC1=Nc2ncnn2[C@@H](c2cccc(OC)c2OC)/C1=C(/O)OC ZINC000103539434 EF Annotated Anodyne C=CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccccc1OC ZINC000103539494 EF Annotated Mild C=CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccccc1OC ZINC000103539498 EF Annotated Mild C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C(O)=C/C1=CCOC1=O ZINC000103539851 EF Annotated Mild in-vitro biogenic CC(=O)O[C@H]1[C@@H]2[C@H]3[C@]2(C)[C@@H](OC(C)=O)[C@]12C(C)(C)C(=O)CC[C@]32C ZINC000103551237 EF Annotated Anodyne in-vitro biogenic Cc1[nH]n([C@@H](C)C2CC2)c2nc(-c3ccccc3OCC(N)=O)nc1-2 ZINC000103574758 EF Annotated Anodyne Cc1[nH]n([C@H](C)C2CC2)c2nc(-c3ccccc3OCC(N)=O)nc1-2 ZINC000103574765 EF Annotated Anodyne CN1CCC(n2[nH]cc3nc(-c4cccc(-n5cccn5)c4)nc2-3)CC1 ZINC000103588122 EF Annotated Anodyne O=C1CCCN1CCCn1cnc2c3cc(Cl)ccc3nc-2c1O ZINC000103591915 EF Annotated Anodyne Cc1[nH]n(C2CCCC2)c2nc(C(C)(C)CN3CCN(C)CC3)nc1-2 ZINC000103597657 EF Annotated Anodyne CC(=O)c1cc(OCc2ccccc2)nc(S(=O)(=O)Cl)c1 ZINC000103605498 EF Annotated Unstable CCC/N=c1\c(N/C(O)=N/CCCOC)c(O)oc2ccccc12 ZINC000103655050 EF Annotated Mild CC/N=c1\c(N/C(O)=N/C[C@@H]2CCCO2)c(O)oc2ccccc12 ZINC000103684004 EF Annotated Mild CC/N=c1\c(N/C(O)=N/C[C@H]2CCCO2)c(O)oc2ccccc12 ZINC000103684008 EF Annotated Mild CCOc1ccc(-c2c[n+](=O)c3c(n2O)CCCC3)c(OCC)c1 ZINC000103706846 EF Annotated Anodyne c1ccc(C2=NNC(c3ccncc3)=c3ccc4ccccc4c3=N2)cc1 ZINC000103709975 EF Annotated Anodyne Cc1ccn2c(O)c(C(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)c(=O)nc2c1 ZINC000103728939 EF Annotated Anodyne Cc1ccn2c(O)c(C(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)c(=O)nc2c1 ZINC000103728942 EF Annotated Anodyne Cc1ccn2c(O)c(C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)c(=O)nc2c1 ZINC000103728946 EF Annotated Anodyne Cc1ccn2c(O)c(C(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)c(=O)nc2c1 ZINC000103728949 EF Annotated Anodyne CC1=CC(=O)/C(=C2/C=C(C(=O)Nc3cc(C)ccc3C)NN2)C(C)=C1 ZINC000103740084 EF Annotated Mild CC(C)(C)OC(=O)NNC(=C1C=CC(=O)C=C1)c1ccc(O)cc1 ZINC000103743116 EF Annotated Reactive Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@@H](C(=O)NCC2CC2)N(C)[C@H]31 ZINC000103752770 EF Annotated Anodyne COC(=O)N/N=C/C1=C/C(=N/Nc2ccccc2Cl)C=CC1=O ZINC000103756333 EF Annotated Reactive CCOC1=CC(=O)/C(=C2/NNC=C2c2nc(C)cs2)C=C1CC ZINC000103768029 EF Annotated Mild COC1=CC(=O)/C(=C2/ONC(C)=C2c2ccc3c(c2)OCCO3)C=C1 ZINC000103788034 EF Annotated Mild OCC[C@H]1CN(Cc2nc3ccc(F)cc3[nH]2)CCN1C1CCCC1 ZINC000103803883 EF Annotated Anodyne Clc1ccccc1Cc1noc(CN2CCN3CCC[C@H]3C2)n1 ZINC000103813636 EF Annotated Anodyne CCOc1ccc2c(c1)S/C(=C1/C=C(NC(C)=O)C=CC1=O)N2 ZINC000103814199 EF Annotated Mild CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(OC)c(OC)c1 ZINC000103871124 EF Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000103871130 EF Annotated Anodyne CC(C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@]12C ZINC000103886892 EF Annotated Anodyne O=c1nc(CSc2ccccn2)nc2n(-c3ccccc3)[nH]cc1-2 ZINC000103893012 EF Annotated Anodyne CCOC(=O)CCc1c(C)nc2cc(-c3ccc(F)cc3)[nH]n2c1=O ZINC000103898294 EF Annotated Anodyne COCc1cc(=O)n2[nH]c(-c3cccc(Br)c3)cc2n1 ZINC000103904697 EF Annotated Anodyne Cc1ccc(NC(=O)C2=C/C(=C3/C=CC=CC3=O)NN2)cc1Cl ZINC000103917334 EF Annotated Mild CC1=C/C(=C2/C=C(C(=O)Nc3cc(C)ccc3C)NN2)C(=O)C(C)=C1 ZINC000103917969 EF Annotated Mild Cc1ccc(NC(=O)C2=C/C(=C3/C=C(Cl)C=CC3=O)NN2)cc1C ZINC000103917993 EF Annotated Mild Cc1c(Cl)cccc1NC(=O)C1=C/C(=C2/C=CC=CC2=O)NN1 ZINC000103918011 EF Annotated Mild COC1=CC(=O)/C(=C2\NC=NC=C2c2ccc(OC)c(OC)c2)C=C1 ZINC000103918416 EF Annotated Mild CC(=O)C1=C(C)/C(=C2/CSC(NCc3ccccc3)=NN2)N=C1C ZINC000103918526 EF Annotated Mild CCn1c(C)nc2cc(C(=O)NN/C(C)=C3\C=CC=CC3=O)ccc21 ZINC000103919760 EF Annotated Reactive Cc1cc(I)ccc1N1C(=N)SCC1=O ZINC000103940048 EF Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(OC)cc1OC ZINC000103964157 EF Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(OC)cc1OC ZINC000103964162 EF Annotated Anodyne COC(=O)c1nc2n(n1)[C@H](c1cccc(F)c1)C1=C(O)CCCC1=N2 ZINC000103970774 EF Annotated Anodyne COC(=O)c1nc2n(n1)[C@@H](c1cccc(F)c1)C1=C(O)CCCC1=N2 ZINC000103970779 EF Annotated Anodyne CCOC1=CC=C/C(=C\NCCc2ccc(OC)c(OC)c2)C1=O ZINC000103980442 EF Annotated Mild CC1=C/C(=N/Nc2ccc(Cl)cc2)C=C(CN2CCOCC2)C1=O ZINC000103980852 EF Annotated Mild CCOC(=O)CCc1c(C)c2c(C)[nH]n(-c3ccccc3)c-2nc1=O ZINC000103990987 EF Annotated Anodyne CN(C)C1(CN/C=C2\C=C(Cl)C=C([N+](=O)[O-])C2=O)CCCCC1 ZINC000103995079 EF Annotated Mild CCCCN(CCCC)C(=O)C1=NSN/C1=C1/C=CC=CC1=O ZINC000103999614 EF Annotated Mild COc1ccc(C2=CNN3C=C/C(=C4\C=CC=CC4=O)N=C23)cc1OC ZINC000104002191 EF Annotated Mild COC1=CC(=O)/C(=C2\NC(N)=NC=C2c2ccc(Cl)cc2)C=C1 ZINC000104003816 EF Annotated Mild C=CCON/C(CCC)=C1\C(=O)[C@@H](C(=O)OC)C(C)(C)C\C1=N\C ZINC000104004375 EF Annotated Mild C=CCON/C(CCC)=C1\C(=O)[C@H](C(=O)OC)C(C)(C)C\C1=N\C ZINC000104004380 EF Annotated Mild COC1=CC(=O)/C(=C2\N=C(N)NC(C)=C2c2ccc(Cl)cc2)C=C1 ZINC000104006248 EF Annotated Mild CCC1=C/C(=C2/NNC=C2c2ccc([N+](=O)[O-])cc2)C(=O)C=C1OC ZINC000104006950 EF Annotated Mild N#CCSC1=NN/C(=C2/C=CC=CC2=O)N1CCc1ccccc1 ZINC000104008754 EF Annotated Mild O=C1C=CC(=NNc2n[nH]c(-c3ccc(Br)cc3)n2)C=C1 ZINC000104016934 EF Annotated Mild N/C(NOC(=O)c1ccc(Cl)cc1)=C1/N=NC=C1Br ZINC000104018475 EF Annotated Mild CC1=CC(=O)/C(=C2\C=C(C(=O)Nc3ccc(C)c(C)c3)NN2)C=C1C ZINC000104019701 EF Annotated Mild CCOC1=CC(=O)/C(=C2\NC(N)=NC=C2c2ccc(Cl)cc2)C=C1 ZINC000104019796 EF Annotated Mild CC1=CC(=O)/C(=C2\C=C(C(=O)Nc3cc(C)ccc3C)NN2)C=C1C ZINC000104019988 EF Annotated Mild CCOC1=CC=C/C(=C\Nc2sc3c(c2C#N)CCN(C)C3)C1=O ZINC000104020785 EF Annotated Mild O=C1C=C/C(=C2/NNC=C2c2ccc(Br)cc2)C(O)=C1 ZINC000104025514 EF Annotated Mild O=C1C=CC=C/C1=C1/NNC=C1C(=O)c1ccc(Br)cc1 ZINC000104025798 EF Annotated Mild CCC1=C/C(=C2/NNC(C)=C2c2nc(C)cs2)C(=O)C=C1OC ZINC000104026253 EF Annotated Mild Cc1ccc2c(c1)N/C(=C1/C=CC(NC(=O)c3ccncc3)=CC1=O)O2 ZINC000104026799 EF Annotated Mild CCOC1=CC(=O)/C(=C2\NNC=C2Oc2ccccc2OCC)C=C1 ZINC000104028725 EF Annotated Mild CCOC1=CC(=O)/C(=C2\NNC(C)=C2Oc2ccccc2OC)C=C1 ZINC000104028819 EF Annotated Mild CC1=CC(N2CCN(c3ccccc3)CC2)=N/C(=C2/C=CC=CC2=O)N1 ZINC000104033753 EF Annotated Mild Cc1ccc(S(=O)(=O)N/C=C2\C(=O)C=Cc3ccccc32)cc1 ZINC000104035029 EF Annotated Mild CCN1C(S[C@@H](C)C(=O)OC)=NN/C1=C1\C=Nc2ccccc21 ZINC000104036559 EF Annotated Anodyne CCN1C(S[C@H](C)C(=O)OC)=NN/C1=C1\C=Nc2ccccc21 ZINC000104036561 EF Annotated Anodyne CCOC(=O)[C@@H](C)SC1=NN/C(=C2\C=Nc3ccccc32)N1C ZINC000104036877 EF Annotated Anodyne CCOC(=O)[C@H](C)SC1=NN/C(=C2\C=Nc3ccccc32)N1C ZINC000104036881 EF Annotated Anodyne CCOC(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)N1CC ZINC000104037487 EF Annotated Anodyne COC(=O)c1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(O)CCCC1=N2 ZINC000104060515 EF Annotated Anodyne COC(=O)c1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(O)CCCC1=N2 ZINC000104060520 EF Annotated Anodyne Cc1ccc2nc(S[C@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)[nH]c2c1 ZINC000104072988 EF Annotated Anodyne Cc1nc2sc([C@H](c3ccco3)N3C[C@H](C)O[C@@H](C)C3)c(O)n2n1 ZINC000104207395 EF Annotated Anodyne Cc1ccc(C2=c3ccccc3=NC(c3ccc(Cl)cc3)=NN2)o1 ZINC000104229723 EF Annotated Anodyne CN1[C@H]2c3ccccc3[C@H]3[C@H]1[C@H]1c4ccccc4[C@@H]3N(C)[C@H]1[C@@H]2[N+](=O)[O-] ZINC000104231524 EF Annotated Bother CC(Nc1ccc2c(c1)nc(CO)n2C)=C1C(=O)CC(C)(C)CC1=O ZINC000104268030 EF Annotated Mild O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1C[C@@H]1Cc2ccccc2CO1 ZINC000104300266 EF Annotated Anodyne O=C1c2nc3cc(-c4ccco4)[nH]n3c(=O)c2CN1C1CCCCC1 ZINC000104305172 EF Annotated Anodyne C=C[C@@]1(C)CC[C@@H]2C(=C[C@H]3OC(=O)[C@]4(C)[C@H]3[C@@]23CC[C@]4(O)OC3)C1 ZINC000104370767 EF Annotated Mild in-man C=C[C@]1(C)CC[C@@H]2C(=C[C@H]3OC(=O)[C@]4(C)[C@H]3[C@@]23CC[C@]4(O)OC3)C1 ZINC000104370770 EF Annotated Mild in-man C=C[C@@]1(C)CC[C@H]2C(=C[C@H]3OC(=O)[C@]4(C)[C@H]3[C@@]23CC[C@]4(O)OC3)C1 ZINC000104370772 EF Annotated Mild in-man C=C[C@]1(C)CC[C@H]2C(=C[C@H]3OC(=O)[C@]4(C)[C@H]3[C@@]23CC[C@]4(O)OC3)C1 ZINC000104370773 EF Annotated Mild in-man C=C[C@@]1(C)C(=O)C=C2[C@]3(CC[C@H]4C(C)(C)[C@@H](O)C(=O)C[C@@]24C)O[C@H]31 ZINC000104370795 EF Annotated Mild in-man C=C[C@@]1(C)C(=O)C=C2[C@]3(CC[C@@H]4C(C)(C)[C@@H](O)C(=O)C[C@@]24C)O[C@H]31 ZINC000104370797 EF Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CCC[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000104371607 EF Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000104371609 EF Annotated Mild in-man CC(C)N1CCC(N2CCN(C3CCCCC3)C[C@H]2CCO)CC1 ZINC000104378007 EF Annotated Anodyne CC[C@@H]1[C@@H]2CCN3CC[C@]4(C(=C2C(=O)OC)Nc2cc(O)ccc24)[C@H]13 ZINC000104381702 EF Annotated Anodyne in-man CC[C@H]1[C@@H]2CCN3CC[C@]4(C(=C2C(=O)OC)Nc2cc(O)ccc24)[C@H]13 ZINC000104381705 EF Annotated Anodyne in-man COc1ccc(C)cc1/N=C1/NN(C)/C(=C2/C=CC(=O)C=C2O)S1 ZINC000104396390 EF Annotated Mild Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)cc1 ZINC000104445852 EF Annotated Anodyne Cc1ccc(CN2CCN(CC#Cc3ccccc3)C[C@H]2CCO)o1 ZINC000104499463 EF Annotated Mild O=C1[C@@H]2[C@@H]3CC[C@H](O3)[C@H]2C(=O)N1CNc1ccc(Cl)c(Cl)c1 ZINC000104649629 EF Annotated Anodyne C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@H]3C(=O)O ZINC000104876887 EF Annotated Mild in-man endogenous C/C(O)=C1/C(=O)[C@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O ZINC000104878742 EF Annotated Mild O=C(O)CSc1n[nH]c2c3c(C(F)(F)F)cccc3nc-2n1 ZINC000104997316 EF Annotated Anodyne CC1(C)Oc2cc3oc(=O)ccc3c3c2[C@H]2[C@H]1CC[C@@](C)(O3)[C@@H]2O ZINC000105110481 EF Annotated Anodyne CC(=O)O[C@@H](CC=C(C)C)c1cc(O)c2c(c1O)C(=O)C=CC2=O ZINC000105233754 EF Annotated Mild C/C=C1/CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@@H]23)Nc1ccc(O)cc14 ZINC000105350134 EF Annotated Anodyne C/C=C1/CN2CC[C@@]34C(=C(C(=O)OC)[C@H]1C[C@@H]23)Nc1ccc(O)cc14 ZINC000105350143 EF Annotated Anodyne C[C@]1(O)C[C@@]23C[C@H]1CC[C@]2(C)[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2C[C@@H]3O ZINC000105386617 EF Annotated Anodyne COc1ccc([C@@H]2[C@H](C(C)=O)C(=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000105414926 EF Annotated Anodyne COc1ccc([C@H]2[C@H](C(C)=O)C(=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000105414928 EF Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(C)=O)C(=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000105414930 EF Annotated Anodyne COc1ccc([C@H]2[C@@H](C(C)=O)C(=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000105414934 EF Annotated Anodyne N#C[C@@H]1[C@@H]2CCC3(C[C@H]2CCN1C(=O)c1ccccc1)OCCO3 ZINC000105472124 EF Annotated Mild N#C[C@@H]1[C@H]2CCC3(C[C@H]2CCN1C(=O)c1ccccc1)OCCO3 ZINC000105472130 EF Annotated Mild C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/CCOC1=O ZINC000105484854 EF Annotated Mild COC(=O)C1=CO[C@H](C)[C@H]2C[n+]3ccc4c([nH]c5ccccc54)c3C[C@@H]12 ZINC000105501975 EF Annotated Anodyne COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1COC[C@H]12 ZINC000105526371 EF Annotated Anodyne C=C(C)[C@@]12C[C@@H]3CC/C(=N/O)[C@@H](C1)[C@@]3(N1CCOCC1)C/C2=N/O ZINC000105526523 EF Annotated Mild C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CC(=O)OC1 ZINC000106755982 EF Annotated Mild CC(C)N1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)N2c2nccs2)C1 ZINC000107203693 EF Annotated Anodyne Cc1c(Cc2c(F)cccc2F)nc(N2CCSCC2)[nH]c1=O ZINC000011328259 EF Annotated Anodyne COC(=O)c1ccc(OCc2c(-c3ccc(F)cn3)noc2C)nc1 ZINC000113140860 EF Annotated Anodyne CSc1nccc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)n1 ZINC000113239504 EF Annotated Mild CSc1nccc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)n1 ZINC000113239507 EF Annotated Mild CN(C)C(=O)c1ccc2c(c1)c(C#N)cn2-c1ccc(C(=O)O)cc1 ZINC000113277069 EF Annotated Anodyne CCNc1ncc(C#Cc2ccc(C[C@@H](C)NC(=O)C3CC3)cc2)cn1 ZINC000113409042 EF Annotated Mild CCNc1ncc(C#Cc2ccc(C[C@H](C)NC(=O)C3CC3)cc2)cn1 ZINC000113409045 EF Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000113409174 EF Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000113409177 EF Annotated Mild CCCn1ccc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)cc1=O ZINC000113409622 EF Annotated Mild CCCn1ccc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)cc1=O ZINC000113409625 EF Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(N3CCCC3)n2)cc1 ZINC000113410759 EF Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(N3CCCC3)n2)cc1 ZINC000113410762 EF Annotated Mild CCNC(=O)c1cccc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)c1 ZINC000113411549 EF Annotated Mild CCNC(=O)c1cccc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)c1 ZINC000113411552 EF Annotated Mild CCCNc1ncc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)cn1 ZINC000113412516 EF Annotated Mild CCCNc1ncc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)cn1 ZINC000113412519 EF Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(NCC3CC3)n2)cc1 ZINC000113413983 EF Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(NCC3CC3)n2)cc1 ZINC000113413984 EF Annotated Mild COc1cc2nc(CCc3nc(-c4ccccc4)cn3C)nn2c(C)n1 ZINC000113422615 EF Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)CCN ZINC000114099222 EF Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)N ZINC000114099867 EF Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)N ZINC000114099980 EF Annotated Anodyne CCN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1 ZINC000114346944 EF Annotated Anodyne CCN(C)C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1 ZINC000114346946 EF Annotated Anodyne NC(=O)c1cccc2c(N[C@H](CNC3CC3)c3ccccc3)ncnc12 ZINC000114348736 EF Annotated Anodyne CC(C)NC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1 ZINC000114349994 EF Annotated Anodyne Nc1[nH]nc(NCC2CCNCC2)c1-c1nc2ccccc2s1 ZINC000114399782 EF Annotated Anodyne Fc1cccc2sc(N3CCNC[C@@H]3COc3cccnc3)nc12 ZINC000114574572 EF Annotated Anodyne Fc1cccc2sc(N3CCNC[C@H]3COc3cccnc3)nc12 ZINC000114574575 EF Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N1CCNC[C@@H]1COc1cccnc1 ZINC000114575260 EF Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N1CCNC[C@H]1COc1cccnc1 ZINC000114575262 EF Annotated Anodyne Cc1ccc2nc(N3CCNC[C@@H]3COc3cccnc3)sc2c1 ZINC000114580610 EF Annotated Anodyne Cc1ccc2nc(N3CCNC[C@H]3COc3cccnc3)sc2c1 ZINC000114580612 EF Annotated Anodyne COc1cc(Nc2n[nH]c3ccnc(OC4CCOCC4)c23)ccn1 ZINC000114772235 EF Annotated Anodyne COc1nccc2[nH]nc(-c3ccnc(N4C[C@H](C)O[C@H](C)C4)c3)c12 ZINC000114772950 EF Annotated Anodyne COc1nccc2[nH]nc(-c3cc(C(=O)N(C)C)n(C(C)C)c3)c12 ZINC000114773130 EF Annotated Anodyne COc1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccn1 ZINC000114773531 EF Annotated Anodyne CC(=O)c1ccc(N2C[C@H](CNC(=O)OC(C)(C)C)OC2=O)cc1 ZINC000011524491 EF Annotated Anodyne Cc1c(S(=O)(=O)c2ccc(=O)[nH]n2)sc2ccc(Cl)cc12 ZINC000011536184 EF Annotated Anodyne CCc1c(S(=O)(=O)c2ccc(=O)[nH]n2)oc2ccc(Cl)cc12 ZINC000011536191 EF Annotated Anodyne O=c1ccc(S(=O)(=O)c2cc3cc(Cl)cc(Cl)c3o2)n[nH]1 ZINC000011536196 EF Annotated Anodyne COCCCC1CCN(C(=O)C2(N(C)C)Cc3ccccc3C2)CC1 ZINC000011661565 EF Annotated Anodyne O=C(CCc1nnc(CCC2CCCCC2)o1)NCc1ccon1 ZINC000011661876 EF Annotated Anodyne CCn1nc(C)c(CN2CCC(CCC(=O)NC3CC3)CC2)c1C ZINC000011662638 EF Annotated Anodyne CC(C)N(Cc1nc(COc2ccccc2)no1)Cc1nccn1C ZINC000011662925 EF Annotated Anodyne CC1(C)CC(=O)C=C(C(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)O1 ZINC000011662944 EF Annotated Mild CC1(C)CC(=O)C=C(C(=O)N2CCC[C@@H](Nc3ccc(F)cc3)C2)O1 ZINC000011662945 EF Annotated Mild CSCCNC(=O)c1cc(COc2ccc3ncccc3c2)on1 ZINC000011663127 EF Annotated Anodyne CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1 ZINC000011663925 EF Annotated Anodyne COc1ccc(-c2[nH]ncc2CNCc2cc(C)n(C)n2)c(F)c1 ZINC000011664068 EF Annotated Anodyne Cc1ccc(CN2C(=O)[C@H]([C@@H](C#N)C(=O)O)c3cc(F)ccc32)cc1 ZINC000011686325 EF Annotated Mild Cc1ccc(CN2C(=O)[C@H]([C@H](C#N)C(=O)O)c3cc(F)ccc32)cc1 ZINC000011686326 EF Annotated Mild COc1cccc(OCc2cc(C(=O)N(C)C3CCOCC3)no2)c1 ZINC000011754048 EF Annotated Anodyne CC(C)c1ccc(N[C@@H]2CCCN(C(=O)CN3CCOC3=O)C2)cc1 ZINC000011754158 EF Annotated Anodyne CC(C)c1ccc(N[C@H]2CCCN(C(=O)CN3CCOC3=O)C2)cc1 ZINC000011754159 EF Annotated Anodyne COc1ccc(C(=O)N[C@H](C)c2cnc(-c3ccncc3)nc2C)o1 ZINC000011763943 EF Annotated Anodyne COc1ccc(C(=O)N[C@@H](C)c2cnc(-c3ccncc3)nc2C)o1 ZINC000011763951 EF Annotated Anodyne Cc1c(CN(C)Cc2nc(-c3cnccn3)no2)[nH]c2ccccc12 ZINC000011773755 EF Annotated Anodyne Cc1nc(N2CCC(NCc3ccon3)CC2)nc2ccc(F)cc12 ZINC000011814636 EF Annotated Anodyne Cc1ccc(C(=O)N[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)s1 ZINC000011814848 EF Annotated Anodyne Cc1ccc(C(=O)N[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)s1 ZINC000011814849 EF Annotated Anodyne Cn1nccc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1F ZINC000011814988 EF Annotated Anodyne Cn1nccc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccccc1F ZINC000011814989 EF Annotated Anodyne CSCCC(=O)N[C@@H]1CCCc2nc(-c3cccnc3)ncc21 ZINC000011815752 EF Annotated Anodyne CSCCC(=O)N[C@H]1CCCc2nc(-c3cccnc3)ncc21 ZINC000011815753 EF Annotated Anodyne Cc1ccc(CN(C)C[C@@]2(O)CCCN(CC3CCC3)C2=O)cc1 ZINC000011816805 EF Annotated Anodyne Cc1ccc(CN(C)C[C@]2(O)CCCN(CC3CCC3)C2=O)cc1 ZINC000011816806 EF Annotated Anodyne CCN(CCn1cccn1)C(=O)CCc1nnc(C2CCCCC2)o1 ZINC000011816840 EF Annotated Anodyne COc1ccc(-c2n[nH]cc2CN(C)Cc2nonc2C)c(F)c1 ZINC000011818140 EF Annotated Anodyne CCN(CCn1cccn1)Cc1c[nH]nc1-c1ccc(OC)cc1F ZINC000011818936 EF Annotated Anodyne c1cncc(CNc2nc3nonc3nc2NCc2cccs2)c1 ZINC000011820488 EF Annotated Anodyne O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN1Cc1ccncc1 ZINC000011821546 EF Annotated Anodyne O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN1Cc1ccncc1 ZINC000011821547 EF Annotated Anodyne CC(C)=CC(=O)N1CCC[C@H](CCC(=O)N(C)C2CCN(C)CC2)C1 ZINC000011842708 EF Annotated Anodyne CC(C)=CC(=O)N1CCC[C@@H](CCC(=O)N(C)C2CCN(C)CC2)C1 ZINC000011842709 EF Annotated Anodyne O=C(c1cnccn1)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1 ZINC000011842769 EF Annotated Anodyne COCCc1nc2ccc(C(=O)N3CCCC[C@@H]3COC)cc2o1 ZINC000011843391 EF Annotated Anodyne COCCc1nc2ccc(C(=O)N3CCCC[C@H]3COC)cc2o1 ZINC000011843392 EF Annotated Anodyne C=CCS(=O)(=O)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 ZINC000011878218 EF Annotated Mild C=CCS(=O)(=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 ZINC000011878219 EF Annotated Mild CC(C)CN(C)C(=O)CC[C@@]1(Cc2ccc(F)cc2)CCC(=O)N1 ZINC000011881023 EF Annotated Anodyne CC(C)CN(C)C(=O)CC[C@]1(Cc2ccc(F)cc2)CCC(=O)N1 ZINC000011881024 EF Annotated Anodyne CCCN(Cc1cnc(S(C)(=O)=O)n1CC(C)C)CC1CC1 ZINC000011935554 EF Annotated Anodyne CN(C)c1ncc2c(n1)CCC[C@@H]2NCc1cccn1-c1cccnc1 ZINC000011937203 EF Annotated Anodyne CN(C)c1ncc2c(n1)CCC[C@H]2NCc1cccn1-c1cccnc1 ZINC000011937204 EF Annotated Anodyne O=C1O[C@@H]2CN(c3ccncc3)C[C@@H]2N1CCCc1ccc(F)cc1 ZINC000011997278 EF Annotated Anodyne C[C@@H]1OC[C@H]2[C@@H]3Cc4c(n(C)c5ccccc45)[C@H](C[C@H]2[C@@H]1CO)N3C ZINC000115610417 EF Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)N)cc3)nc(NC3CC3)c2c1=O ZINC000115622151 EF Annotated Anodyne CC(C)Nc1nc(-c2ccc3c(c2)CCN3C)cc2ncn(C)c(=O)c12 ZINC000115622644 EF Annotated Anodyne CCNc1nc(-c2ccc(C(C)(C)N)cc2)cc2ncn(C)c(=O)c12 ZINC000115624319 EF Annotated Anodyne COCc1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cc1 ZINC000115624418 EF Annotated Anodyne CCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1 ZINC000115625219 EF Annotated Anodyne Cn1cnc2cc(-c3ccc(C4(O)CC4)cc3)nc(NC3CC3)c2c1=O ZINC000115625305 EF Annotated Anodyne CCNc1nc(-c2ccc(C(C)(C)O)cc2)cc2ncn(C)c(=O)c12 ZINC000115625398 EF Annotated Anodyne CC(C)Nc1nc(-c2ccc(C3CNC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115625587 EF Annotated Anodyne CC(C)Nc1nc(-c2ccc([C@H](C)N)cc2)cc2ncn(C)c(=O)c12 ZINC000115625742 EF Annotated Anodyne CC(C)Nc1nc(-c2ccc3nc[nH]c3c2)cc2ncn(C)c(=O)c12 ZINC000115625941 EF Annotated Anodyne COCc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1 ZINC000115626074 EF Annotated Anodyne CC(C)Nc1nc(-c2ccc([C@@H](C)O)cc2)cc2ncn(C)c(=O)c12 ZINC000115626172 EF Annotated Anodyne CC(C)Nc1nc(-c2ccc([C@H](C)O)cc2)cc2ncn(C)c(=O)c12 ZINC000115626174 EF Annotated Anodyne CC(C)Cn1cc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1 ZINC000115626234 EF Annotated Anodyne Cn1cnc2cc(-c3ccc(C4(N)CC4)cc3)nc(NC3CC3)c2c1=O ZINC000115626340 EF Annotated Anodyne CC[C@@H](C(=O)OC)N(c1nc(Cl)ncc1[N+](=O)[O-])C1CCCC1 ZINC000115755161 EF Annotated Anodyne CNCc1cn(S(=O)(=O)c2ccc(C)cc2)c(-c2ccccc2)n1 ZINC000115959208 EF Annotated Anodyne CCNC(=O)Nc1ccc(-c2nc3cccc(C(N)=O)c3s2)cn1 ZINC000116505563 EF Annotated Anodyne CCS(=O)(=O)NCc1cncc(-c2c(C)c3ccccc3n2C)c1 ZINC000116649121 EF Annotated Anodyne Cc1ccoc1C(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000116826561 EF Annotated Anodyne Cc1ccoc1C(=O)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000116826562 EF Annotated Anodyne Cc1ccoc1C(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2C1 ZINC000116826565 EF Annotated Anodyne Nc1cc2c(cc1O)[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2 ZINC000117625044 EF Annotated Anodyne O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3cc(CO)ccc3C[C@@H]21 ZINC000117625303 EF Annotated Anodyne O=C(c1ccc2[nH]c(=O)cnc2c1)N1CCC[C@@H]2c3ccccc3C[C@@H]21 ZINC000117629577 EF Annotated Anodyne O=C(c1ccc2[nH]c(=O)cnc2c1)N1CCC[C@H]2c3ccccc3C[C@@H]21 ZINC000117629583 EF Annotated Anodyne O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@@H]2c3ccccc3C[C@@H]21 ZINC000117631408 EF Annotated Anodyne O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@H]2c3ccccc3C[C@@H]21 ZINC000117631410 EF Annotated Anodyne CC(=O)N1CC(C)(C)OC(=O)[C@@H]1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000117777322 EF Annotated Anodyne CC(=O)N1CC(C)(C)OC(=O)[C@H]1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000117777325 EF Annotated Anodyne CCN1CC(C)(C)OC(=O)[C@@H]1CC(=O)Nc1ccc2scnc2c1 ZINC000117779317 EF Annotated Anodyne CCN1CC(C)(C)OC(=O)[C@H]1CC(=O)Nc1ccc2scnc2c1 ZINC000117779320 EF Annotated Anodyne CCN1CC(C)(C)OC(=O)[C@@H]1CC(=O)Nc1ccc2c(ccn2C)c1 ZINC000117785806 EF Annotated Anodyne CCN1CC(C)(C)OC(=O)[C@H]1CC(=O)Nc1ccc2c(ccn2C)c1 ZINC000117785808 EF Annotated Anodyne O=c1nc(NCc2ccc(-c3ccncc3)cc2)c2cccnc2n1O ZINC000117810371 EF Annotated Anodyne Cc1ccc(-c2nc(CCc3nc4c(C)ncc(C)n4n3)cn2C)o1 ZINC000117882328 EF Annotated Anodyne CN(C)CCn1cc2c(=O)n(C3CC(C)(C)CC(C)(C)C3)ncc2n1 ZINC000118635155 EF Annotated Anodyne CN(C)CCn1ncc2c(=O)n(C3CC(C)(C)CC(C)(C)C3)ncc21 ZINC000118637799 EF Annotated Anodyne COc1cc(CN2CCCCC2)cc2[nH]c(=O)c3c(c12)NCCC3 ZINC000118733794 EF Annotated Anodyne COc1cc(CN(C)CCCl)cc2[nH]c(=O)c3c(c12)NCCC3 ZINC000118733887 EF Annotated Reactive COc1cc(CNC2CCCC2)cc2[nH]c(=O)c3c(c12)NCCC3 ZINC000118734867 EF Annotated Anodyne CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@]5(O)C[C@]4(CO5)[C@H]3CC[C@@]21C ZINC000118916782 EF Annotated Anodyne CC[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)[C@]5(O)C[C@]4(CO5)[C@H]3CC[C@@]21C ZINC000118916783 EF Annotated Anodyne COc1ccc(C[C@@]2(CCC(=O)N3CCCCC3)CCC(=O)N2)cc1 ZINC000012003337 EF Annotated Anodyne COc1ccc(C[C@]2(CCC(=O)N3CCCCC3)CCC(=O)N2)cc1 ZINC000012003343 EF Annotated Anodyne Cc1cc(Cl)c2oc(C(=O)NCCN3CCOC3=O)c(C)c2c1 ZINC000012004103 EF Annotated Anodyne Cc1nc(C(=O)N2CC[C@@]3(CCCN(CC(C)(C)C)C3=O)C2)cs1 ZINC000012023037 EF Annotated Anodyne Cc1nc(C(=O)N2CC[C@]3(CCCN(CC(C)(C)C)C3=O)C2)cs1 ZINC000012023042 EF Annotated Anodyne COc1ccc(-c2cnnc(N(C)C[C@@H]3CCCCO3)n2)cc1OC ZINC000012028125 EF Annotated Anodyne COc1ccc(-c2cnnc(N(C)C[C@H]3CCCCO3)n2)cc1OC ZINC000012028130 EF Annotated Anodyne COc1cc(Cl)ccc1OCc1cc(C(=O)N2CCCO2)no1 ZINC000012052406 EF Annotated Anodyne CCOC(=O)C1(CCOC)CCN(Cc2ccc(COC)o2)CC1 ZINC000012056938 EF Annotated Anodyne Cc1ocnc1C(=O)NCc1cccnc1N(C)Cc1ccccc1 ZINC000012074522 EF Annotated Anodyne CC[C@@H](COC)NC(=O)CC[C@@]1(Cc2ccc(C)cc2)CCC(=O)N1 ZINC000012193967 EF Annotated Anodyne CC[C@H](COC)NC(=O)CC[C@@]1(Cc2ccc(C)cc2)CCC(=O)N1 ZINC000012193972 EF Annotated Anodyne CC[C@@H](COC)NC(=O)CC[C@]1(Cc2ccc(C)cc2)CCC(=O)N1 ZINC000012193979 EF Annotated Anodyne CC[C@H](COC)NC(=O)CC[C@]1(Cc2ccc(C)cc2)CCC(=O)N1 ZINC000012193988 EF Annotated Anodyne CC(C)CCc1noc(CN2CCC(CCN3CCCC3=O)CC2)n1 ZINC000012196968 EF Annotated Anodyne CCCc1ccc2oc(C(=O)NCCN3CCC[C@@H](O)C3)c(C)c2c1 ZINC000012199402 EF Annotated Anodyne CCCc1ccc2oc(C(=O)NCCN3CCC[C@H](O)C3)c(C)c2c1 ZINC000012199407 EF Annotated Anodyne COCCN1CCC[C@@]2(CCN(Cc3cc(C)ccc3C)C2)C1=O ZINC000012202545 EF Annotated Anodyne COCCN1CCC[C@]2(CCN(Cc3cc(C)ccc3C)C2)C1=O ZINC000012202551 EF Annotated Anodyne Fc1cccc(-c2cnnc(NCc3ccccc3-n3cncn3)n2)c1 ZINC000012203826 EF Annotated Anodyne C[C@@H](CCn1cccn1)NC(=O)CCc1nnc(C2CCCCC2)o1 ZINC000012204590 EF Annotated Anodyne C[C@H](CCn1cccn1)NC(=O)CCc1nnc(C2CCCCC2)o1 ZINC000012204604 EF Annotated Anodyne COc1ccc(CC2(CO)CCN(Cc3cnn(C)c3C)CC2)cc1 ZINC000012207360 EF Annotated Anodyne COc1ccc2c(c1)O[C@H](C)CN(CC(=O)NCc1cccs1)C2 ZINC000012280293 EF Annotated Anodyne COc1ccc2c(c1)O[C@@H](C)CN(CC(=O)NCc1cccs1)C2 ZINC000012280296 EF Annotated Anodyne O=C1CC[C@H](C(=O)N2CCCCO2)CN1Cc1ccc(Cl)cc1 ZINC000012297889 EF Annotated Anodyne O=C1CC[C@@H](C(=O)N2CCCCO2)CN1Cc1ccc(Cl)cc1 ZINC000012297890 EF Annotated Anodyne Cc1ncsc1C(=O)N1CCC[C@@H](CCC(=O)N2CCCC2)C1 ZINC000012300081 EF Annotated Anodyne Cc1ncsc1C(=O)N1CCC[C@H](CCC(=O)N2CCCC2)C1 ZINC000012300083 EF Annotated Anodyne COc1ccc(-c2[nH]ncc2CN[C@@H](C)CCn2cccn2)c(F)c1 ZINC000012300287 EF Annotated Anodyne COc1ccc(-c2[nH]ncc2CN[C@H](C)CCn2cccn2)c(F)c1 ZINC000012300289 EF Annotated Anodyne Cc1ccc(Oc2ncccc2CNC(=O)CCc2cnccn2)cn1 ZINC000012300588 EF Annotated Anodyne C[C@H](c1ccon1)N(C)C(=O)c1cc(COc2ccccc2F)[nH]n1 ZINC000012300725 EF Annotated Anodyne C[C@@H](c1ccon1)N(C)C(=O)c1cc(COc2ccccc2F)[nH]n1 ZINC000012300728 EF Annotated Anodyne C=CCN(CC=C)C(=O)c1cc(Cn2c(C)nc3ccccc32)[nH]n1 ZINC000012301052 EF Annotated Mild O=C1N(CC2CCCCC2)CCC[C@@]12CCN(Cc1ncc[nH]1)C2 ZINC000012305263 EF Annotated Anodyne O=C1N(CC2CCCCC2)CCC[C@]12CCN(Cc1ncc[nH]1)C2 ZINC000012305264 EF Annotated Anodyne CCn1ccnc1CN1CCC(CO)(CCOc2ccccc2)CC1 ZINC000012306411 EF Annotated Anodyne O=C([C@@H]1CCN(c2ccccc2)C1=O)N1CCC(c2ccncc2)CC1 ZINC000012307482 EF Annotated Anodyne O=C([C@H]1CCN(c2ccccc2)C1=O)N1CCC(c2ccncc2)CC1 ZINC000012307483 EF Annotated Anodyne COc1ccc(-c2[nH]ncc2CN(C)Cc2cc(C)[nH]n2)c(F)c1 ZINC000012313924 EF Annotated Anodyne O=C(c1[nH]nc2c1CCC2)N1CCC[C@@H](Nc2cccc(F)c2)C1 ZINC000012315500 EF Annotated Anodyne O=C(c1[nH]nc2c1CCC2)N1CCC[C@H](Nc2cccc(F)c2)C1 ZINC000012315501 EF Annotated Anodyne CO[C@@H](c1ccccc1)c1nnc(CCC(=O)NCCC(C)C)o1 ZINC000012315600 EF Annotated Anodyne CO[C@H](c1ccccc1)c1nnc(CCC(=O)NCCC(C)C)o1 ZINC000012315601 EF Annotated Anodyne COc1ccc(C(=O)N[C@@H](C)c2cnn(-c3ccccn3)c2C)o1 ZINC000012320768 EF Annotated Anodyne COc1ccc(C(=O)N[C@H](C)c2cnn(-c3ccccn3)c2C)o1 ZINC000012320769 EF Annotated Anodyne C[C@@]1(CCC(=O)NCc2nc(-c3ccccc3)cs2)CCC(=O)N1 ZINC000012326016 EF Annotated Anodyne C[C@]1(CCC(=O)NCc2nc(-c3ccccc3)cs2)CCC(=O)N1 ZINC000012326025 EF Annotated Anodyne Cc1nc(O)cc([C@@H]2CN(C(=O)C3CC3)C[C@H]2c2ccccc2F)n1 ZINC000012337949 EF Annotated Anodyne O=C(O)Cc1ccc(OCCCN2C(=O)COc3ccsc32)cc1 ZINC000012358221 EF Annotated Anodyne Cc1cc(-c2nnc(CCC(=O)N[C@H](C)c3ccc(F)cc3)o2)no1 ZINC000012387508 EF Annotated Anodyne Cc1cc(-c2nnc(CCC(=O)N[C@@H](C)c3ccc(F)cc3)o2)no1 ZINC000012387509 EF Annotated Anodyne CC(=O)C1=C(O)[C@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O ZINC000012405147 EF Annotated Mild Cc1ccccc1-n1ncc([C@@H](C)NC(=O)CCn2cccn2)c1C ZINC000012430404 EF Annotated Anodyne Cc1ccccc1-n1ncc([C@H](C)NC(=O)CCn2cccn2)c1C ZINC000012430405 EF Annotated Anodyne COC1CCN(C(=O)[C@@H]2CCC(=O)N(C3CCCCCC3)C2)CC1 ZINC000012432448 EF Annotated Anodyne COC1CCN(C(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)CC1 ZINC000012432449 EF Annotated Anodyne CC(C)c1ccc(N[C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)cc1 ZINC000012434467 EF Annotated Anodyne CC(C)c1ccc(N[C@H]2CCCN(C(=O)CN3CCCC3=O)C2)cc1 ZINC000012434468 EF Annotated Anodyne O[C@H](c1ccccn1)C1CCN(c2nncc(-c3ccccc3)n2)CC1 ZINC000012435471 EF Annotated Anodyne O[C@@H](c1ccccn1)C1CCN(c2nncc(-c3ccccc3)n2)CC1 ZINC000012435473 EF Annotated Anodyne O=C(O)[C@H]1Nc2c(I)cccc2[C@@H]2C=CC[C@@H]12 ZINC000012437295 EF Annotated Clean Cc1ncc(CN2CC[C@@]3(CCCN(CC(C)(C)C)C3=O)C2)n1C ZINC000012444480 EF Annotated Anodyne Cc1ncc(CN2CC[C@]3(CCCN(CC(C)(C)C)C3=O)C2)n1C ZINC000012444482 EF Annotated Anodyne Cc1cccnc1CCNC(=O)CCc1nnc(-c2ccccc2)o1 ZINC000012448975 EF Annotated Anodyne O=C(c1cc(COc2c(F)cccc2F)on1)N1CCSCC1 ZINC000012458808 EF Annotated Anodyne CN1CCC(CN(CCc2ccccc2)Cc2cnn(C)c2)CC1 ZINC000012465499 EF Annotated Anodyne Cc1nonc1CC(=O)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21 ZINC000012466668 EF Annotated Anodyne Cc1nonc1CC(=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 ZINC000012466670 EF Annotated Anodyne COC1=C/C(=C/C=C2/NC(=O)c3ccccc3N2)C=C(Cl)C1=O ZINC000012470935 EF Annotated Mild C[C@@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccccc1 ZINC000012472397 EF Annotated Anodyne C[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccccc1 ZINC000012472403 EF Annotated Anodyne CN1CCC(=O)N([C@H](COc2ccccc2)Cc2ccccc2)CC1 ZINC000012474460 EF Annotated Anodyne O=C1C=C/C(=C\Nn2c(COc3ccccc3)n[nH]c2=S)C(O)=C1 ZINC000012475517 EF Annotated Mild Cc1ccccc1CN1[C@@H](Cc2ccccc2)COCCS1(=O)=O ZINC000012478219 EF Annotated Anodyne CC(C)C[C@H]1COCCS(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000012478262 EF Annotated Anodyne O=S1(=O)CCOC[C@H](Cc2ccccc2)N1Cc1ccc(F)cc1 ZINC000012478277 EF Annotated Anodyne COC(=O)C[C@H]1c2cc(F)ccc2S(=O)(=O)N1c1ccccc1 ZINC000012478426 EF Annotated Anodyne O=C(O)C[C@H]1c2cc(F)ccc2S(=O)(=O)N1Cc1ccccc1 ZINC000012478433 EF Annotated Anodyne O=C(O)C[C@H]1c2cc(F)ccc2S(=O)(=O)N1C1CCCCC1 ZINC000012478438 EF Annotated Anodyne CCOC(=O)C[C@H]1c2ccccc2S(=O)(=O)N1c1ccccc1 ZINC000012478607 EF Annotated Anodyne COC(=O)C[C@H]1c2ccccc2S(=O)(=O)N1c1cccc(OC)c1 ZINC000012478633 EF Annotated Anodyne O=S1(=O)CCOC[C@H](Cc2ccccc2)N1Cc1cccc(F)c1 ZINC000012479083 EF Annotated Anodyne O=S1(=O)CCOC[C@H](Cc2ccccc2)N1Cc1ccccc1F ZINC000012479141 EF Annotated Anodyne COc1cccc(N2[C@@H](CC(C)=O)c3ccccc3S2(=O)=O)c1 ZINC000012479209 EF Annotated Anodyne CCOC(=O)C[C@H]1c2cc(F)ccc2S(=O)(=O)N1C(C)(C)C ZINC000012479266 EF Annotated Anodyne CCOC(=O)C[C@H]1c2cc(F)ccc2S(=O)(=O)N1C1CCCC1 ZINC000012479384 EF Annotated Anodyne COC(=O)C1=C(c2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCC1CC1 ZINC000012480076 EF Annotated Anodyne COC(=O)C1=C(c2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NC1CC1 ZINC000012480206 EF Annotated Anodyne COC(=O)C1=C(c2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NC(C)C ZINC000012480309 EF Annotated Anodyne C#Cc1ccc([C@@H]2C=C(C(=O)O)O[C@H](OCC)[C@H]2CCCO)cc1 ZINC000012482778 EF Annotated Mild Cc1cc(C)n(C[C@H](C)Nc2nncc(-c3ccc(F)cc3)n2)n1 ZINC000012571027 EF Annotated Anodyne Cc1cc(C)n(C[C@@H](C)Nc2nncc(-c3ccc(F)cc3)n2)n1 ZINC000012571033 EF Annotated Anodyne Cn1cc(CN2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cn1 ZINC000012577581 EF Annotated Anodyne Cn1cc(CN2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cn1 ZINC000012577586 EF Annotated Anodyne COCCN1CCC[C@@]2(CCN(Cc3ccc(Cl)s3)C2)C1=O ZINC000012579107 EF Annotated Anodyne COCCN1CCC[C@]2(CCN(Cc3ccc(Cl)s3)C2)C1=O ZINC000012579114 EF Annotated Anodyne CCSc1ncc(CN[C@@H]2CCCc3nc(N(C)C)ncc32)cn1 ZINC000012585699 EF Annotated Anodyne CCSc1ncc(CN[C@H]2CCCc3nc(N(C)C)ncc32)cn1 ZINC000012585703 EF Annotated Anodyne Cc1nonc1CC(=O)N1CCC[C@@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000012587803 EF Annotated Anodyne Cc1nonc1CC(=O)N1CCC[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000012587808 EF Annotated Anodyne Cc1nn(C)cc1CN1CCC(CO)(CCOc2ccccc2)CC1 ZINC000012587837 EF Annotated Anodyne COc1cccc(-c2cnnc(N(C)CCC3CCOCC3)n2)c1 ZINC000012590490 EF Annotated Anodyne c1cc2c(cc1-c1noc3c1CN(C1CCOCC1)CC3)OCO2 ZINC000012590660 EF Annotated Anodyne Cc1cc(C(=O)N[C@@H]2CCCN(C3CCCCCC3)C2)c(=O)[nH]c1C ZINC000012594051 EF Annotated Anodyne Cc1cc(C(=O)N[C@H]2CCCN(C3CCCCCC3)C2)c(=O)[nH]c1C ZINC000012594058 EF Annotated Anodyne Cc1cc(C)n(CCN(C)Cc2nc(Cc3ccccc3F)no2)n1 ZINC000012612712 EF Annotated Anodyne C[C@@H](NC[C@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 ZINC000012652261 EF Annotated Anodyne Cc1ccccc1OCC(=O)OCC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C ZINC000012660511 EF Annotated Anodyne CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)C1=CCCC1 ZINC000012713019 EF Annotated Anodyne CSc1ccccc1C(=O)[C@@H]1CCCN(C(=O)c2csnn2)C1 ZINC000012713330 EF Annotated Anodyne CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)c2csnn2)C1 ZINC000012713335 EF Annotated Anodyne COc1ccc(-c2cnnc(NCC[C@@H]3CCCCO3)n2)cc1OC ZINC000012713813 EF Annotated Anodyne COc1ccc(-c2cnnc(NCC[C@H]3CCCCO3)n2)cc1OC ZINC000012713817 EF Annotated Anodyne O=C1NC[C@H](CC2CCCCC2)N(CCc2cccc(F)c2)C1=O ZINC000012726244 EF Annotated Anodyne CCOC(=O)/C(=N\Nc1cc(Cl)ccc1Cl)N1CCOCC1 ZINC000012729323 EF Annotated Mild Cc1ncoc1C(=O)N[C@@H]1CCCc2nc(-c3cccnc3)ncc21 ZINC000012744895 EF Annotated Anodyne Cc1ncoc1C(=O)N[C@H]1CCCc2nc(-c3cccnc3)ncc21 ZINC000012744896 EF Annotated Anodyne O=C1NCCCC[C@@H]1Nc1nncc(-c2ccc3ccccc3c2)n1 ZINC000012746158 EF Annotated Anodyne COCCN1CCC[C@@]2(CCN(Cc3ccc(F)c(OC)c3)C2)C1 ZINC000012751543 EF Annotated Anodyne COCCN1CCC[C@]2(CCN(Cc3ccc(F)c(OC)c3)C2)C1 ZINC000012751548 EF Annotated Anodyne Cc1nonc1C(=O)N1CCC(CCC(=O)Nc2ccccc2)CC1 ZINC000012762720 EF Annotated Anodyne Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000012859622 EF Annotated Anodyne Cc1ccc(C(=O)NCC(=O)N2CCC[C@H](C(F)(F)F)C2)s1 ZINC000012859632 EF Annotated Anodyne O=C(CCSc1ccccc1Cl)NNC(=O)c1ccncc1 ZINC000013010103 EF Annotated Reactive Cc1cc(C)n2c(SCC(=O)N[C@H]3CCC[C@H](C)[C@H]3C)nnc2n1 ZINC000013068359 EF Annotated Anodyne O=[N+]([O-])c1ccc(/C=N\n2c(-c3cccnc3)n[nH]c2=S)cc1 ZINC000013109077 EF Annotated Mild O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1cn2ccc3ccccc3c2n1 ZINC000013110325 EF Annotated Reactive O=[N+]([O-])c1ccccc1/C=N\n1c(-c2cccnc2)n[nH]c1=S ZINC000013110571 EF Annotated Mild O=[N+]([O-])c1cccc(/C=N\n2c(-c3cccnc3)n[nH]c2=S)c1 ZINC000013110576 EF Annotated Mild CC[n+]1c(C)n(C[C@@H](O)COC[C@H]2CC=CCC2)c2ccccc21 ZINC000013110816 EF Annotated Anodyne CC[n+]1c(C)n(C[C@H](O)COC[C@H]2CC=CCC2)c2ccccc21 ZINC000013110817 EF Annotated Anodyne CC[n+]1c(C)n(C[C@@H](O)COC[C@@H]2CC=CCC2)c2ccccc21 ZINC000013110818 EF Annotated Anodyne CC[n+]1c(C)n(C[C@H](O)COC[C@@H]2CC=CCC2)c2ccccc21 ZINC000013110819 EF Annotated Anodyne O=C1C=CC=C/C1=C\Nn1c(-c2ccco2)nc2ccccc2c1=O ZINC000013111022 EF Annotated Mild C[N+]12CCCC[C@@H]1[C@@H](COC(=O)c1ccc3c(c1)OCO3)CCC2 ZINC000013111060 EF Annotated Bother C[N+]12CCCC[C@H]1[C@@H](COC(=O)c1ccc3c(c1)OCO3)CCC2 ZINC000013111061 EF Annotated Bother Cc1ccc(C(=O)NS(=O)(=O)c2ccc(/N=N/N(C)C)cc2)cc1 ZINC000013111941 EF Annotated Clean Cc1nc2ccccc2c(=O)n1N/C=C1\C=NN=C1c1ccccc1 ZINC000013118949 EF Annotated Anodyne COc1ccc(C(=O)NN/C=C2\Sc3ccccc3C2=O)cc1 ZINC000013118956 EF Annotated Reactive O=C(CCc1ccccc1)NN/C=C1\C=C(Br)C=CC1=O ZINC000013118984 EF Annotated Reactive Cc1ccc(-c2cc(C(=O)NN/C=C3\C=Nc4ccccc43)n[nH]2)o1 ZINC000013119006 EF Annotated Reactive C=CCC1=CC=C/C(=C\NNC(=O)[C@@H](C)Nc2ccc(C)cc2)C1=O ZINC000013119026 EF Annotated Reactive C=CCC1=CC=C/C(=C\NNC(=O)[C@H](C)Nc2ccc(C)cc2)C1=O ZINC000013119027 EF Annotated Reactive COC1=CC(=C/C(C#N)=C2\Nc3ccccc3N2C)C=C(OC)C1=O ZINC000013119036 EF Annotated Reactive C=CCC1=CC=C/C(=C\NNC(=O)[C@@H](C)Nc2cccc(C)c2)C1=O ZINC000013119049 EF Annotated Reactive C=CCC1=CC=C/C(=C\NNC(=O)[C@H](C)Nc2cccc(C)c2)C1=O ZINC000013119050 EF Annotated Reactive COc1ccc2c(c1)N=C/C2=C\NNS(=O)(=O)c1ccc(C)cc1 ZINC000013119172 EF Annotated Anodyne O=C1C=C/C(=C/Nn2c(COc3ccccc3)n[nH]c2=S)C=C1O ZINC000013119641 EF Annotated Mild CCOC(=O)CCc1c(C)c2c(C)nn(-c3ccccc3)c2[nH]c1=O ZINC000013119851 EF Annotated Anodyne COC1=CC(=CNNc2ccc(C(F)(F)F)cn2)C=C(OC)C1=O ZINC000013120420 EF Annotated Mild O=C1C([N+](=O)[O-])=CC(Cl)=C/C1=C\NNc1nc2ccccc2s1 ZINC000013121703 EF Annotated Mild Cc1nc(NNC=C2C=CC(=O)C=C2)c2cnn(-c3ccccc3)c2n1 ZINC000013122261 EF Annotated Mild COC1=C/C(=C\NNc2nc(C)cc(-c3ccccc3)n2)C(=O)C=C1 ZINC000013122318 EF Annotated Mild CCC(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C1C=CC(=O)C=C1 ZINC000013122432 EF Annotated Mild Cc1ccc(C2=NN=C/C2=C\Nn2c(C)nc3ccccc3c2=O)cc1 ZINC000013122437 EF Annotated Anodyne COC1=CC=C/C(=C\Nn2c(SC)nnc2-c2ccccc2)C1=O ZINC000013122463 EF Annotated Mild CSc1nsc2nc(=O)c(/C=C3\C=Nc4ccccc43)c(N)n12 ZINC000013123000 EF Annotated Anodyne CCOC1=C/C(=C/NNC(=O)[C@@H](C)Sc2ccccc2)C=CC1=O ZINC000013124272 EF Annotated Reactive CCOC1=C/C(=C/NNC(=O)[C@H](C)Sc2ccccc2)C=CC1=O ZINC000013124273 EF Annotated Reactive COC1=C/C(=C/Nn2c(-c3ccccc3)n[nH]c2=S)C=CC1=O ZINC000013125047 EF Annotated Mild CN(N/C=C1\C=C(Cl)C=C(Cl)C1=O)C(=S)NC(C)(C)C ZINC000013125209 EF Annotated Mild Cc1occc1C1=C(c2ccccc2)C(=C2N=c3ccccc3=N2)NN1 ZINC000013125481 EF Annotated Anodyne CC(NNC(=O)CSc1nc2ccccc2o1)=C1C=CC(=O)C=C1 ZINC000013125595 EF Annotated Reactive CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1C(CC)CC ZINC000013125883 EF Annotated Anodyne CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1C(CC)CC ZINC000013125884 EF Annotated Anodyne COc1ccc(-c2nc(N)ncc2-c2csc(C)n2)c(O)c1OC ZINC000013126208 EF Annotated Anodyne O=C1C=CC=C/C1=C\Nn1c(COc2ccccc2)n[nH]c1=S ZINC000013126228 EF Annotated Mild O=C(NN/C=C1\C=Nc2ccc(Br)cc21)c1ccncc1 ZINC000013126417 EF Annotated Reactive O=C1C=CC(=CNNC(=O)CSc2cccc3cccnc23)C=C1 ZINC000013126847 EF Annotated Reactive O=C(CSc1ccc2ccccc2n1)NN/C=C1\C=CC=CC1=O ZINC000013126908 EF Annotated Reactive O=C1C=CC(Br)=C/C1=C1\C=C(c2ccccc2F)NN1 ZINC000013127534 EF Annotated Mild COc1cccc(C2=Nc3nnnn3[C@H](c3ccc(N(C)C)cc3)C2)c1 ZINC000013127581 EF Annotated Clean COc1cccc(C2=Nc3nnnn3[C@@H](c3ccc(N(C)C)cc3)C2)c1 ZINC000013127582 EF Annotated Clean O=C1C=C/C(=C/NNc2nc(-c3ccccc3)cs2)C=C1[N+](=O)[O-] ZINC000013130238 EF Annotated Mild Cc1nc2ccccc2c(=O)n1N/C=C1\C(=O)C=Cc2ccccc21 ZINC000013130409 EF Annotated Mild CCOC1=C/C(=C/C=C2/C=C(C(F)(F)F)NC(=O)N2)C=CC1=O ZINC000013130679 EF Annotated Mild O=C1C=CC(=CNNC(=O)CSc2ccc3ccccc3n2)C=C1 ZINC000013130843 EF Annotated Reactive CCOC(=O)/C(=N\Nc1ccccc1Cl)N1C[C@H](C)O[C@H](C)C1 ZINC000013132559 EF Annotated Mild C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)N/N=C\c1ccnn1C ZINC000013132946 EF Annotated Reactive C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)N/N=C\c1ccnn1C ZINC000013132947 EF Annotated Reactive COC(=O)c1cc(C)sc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1CC2 ZINC000013133371 EF Annotated Anodyne COC(=O)c1cc(C)sc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1CC2 ZINC000013133372 EF Annotated Anodyne Cc1cc(=O)[nH]c(N/N=C\c2c(C)nn(-c3ccccc3)c2Cl)n1 ZINC000013136411 EF Annotated Mild Cc1cc(=O)[nH]c(N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000013139016 EF Annotated Mild CN(C)/C=N\c1c(Br)cc(Br)c2nonc12 ZINC000013139303 EF Annotated Mild COC(=O)c1ccc(/C=N/OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000013139973 EF Annotated Mild COc1ccc2[nH]c(C)c(CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2c1 ZINC000013140309 EF Annotated Anodyne CCCOC(=O)[C@H]1[C@@H](C(=O)OCC(=O)c2ccccc2)[C@@H]2C=C[C@H]1C2 ZINC000013146731 EF Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H](C(=O)OCC(=O)c2ccccc2)[C@@H]2C=C[C@H]1C2 ZINC000013146732 EF Annotated Anodyne CN1[C@@H]2[C@@H]3c4ccccc4[C@@H]4[C@@H]2c2ccccc2[C@@H]1[C@H]([N+](=O)[O-])[C@@H]3N4C ZINC000013146935 EF Annotated Bother COc1ccc2c(c1)[C@@H]1C[C@@](C)(NC(=O)[C@@H]1C(=O)c1ccccc1)O2 ZINC000013147507 EF Annotated Anodyne CCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@H]3C2=O)c([N+](=O)[O-])c1 ZINC000013151820 EF Annotated Bother COC(=O)[C@H]1C(=O)c2c([nH]c(C(=O)O[C@@H]3CCC[C@@H]3C)c2C)C[C@H]1C ZINC000013152787 EF Annotated Anodyne COC(=O)[C@H]1C(=O)OC(C)(C)[C@@H]1[C@@H](C)C(=O)c1ccc(C)cc1C ZINC000013153215 EF Annotated Anodyne COC(=O)[C@H]1C(=O)OC(C)(C)[C@H]1[C@@H](C)C(=O)c1ccc(C)cc1C ZINC000013153216 EF Annotated Anodyne C/N=C1/S[C@@H](CC(=O)Nc2cc(Cl)ccc2Cl)C(=O)N1C ZINC000013153536 EF Annotated Mild C/N=C1/S[C@H](CC(=O)Nc2cc(Cl)ccc2Cl)C(=O)N1C ZINC000013153537 EF Annotated Mild O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1C[C@@H]1OCCc2ccccc21 ZINC000013153854 EF Annotated Anodyne CC(=O)Nc1cc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)ccc1Cl ZINC000013154128 EF Annotated Anodyne CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(C)C)[C@H]3C2=O)c1 ZINC000013154218 EF Annotated Anodyne O=C1C[C@@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000013154868 EF Annotated Anodyne O=C1C[C@@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000013154869 EF Annotated Anodyne CSc1nc2c(c(N(C)C)n1)C=Nn1c(nc3ccccc31)S2 ZINC000013219176 EF Annotated Anodyne CSc1nc2c(c(N(C)C)n1)[C@H](O)n1c(nc3ccccc31)S2 ZINC000013219184 EF Annotated Anodyne C[C@H](CO)c1ccc2c(c1O)CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3 ZINC000013299483 EF Annotated Anodyne C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@@H](OC(=O)/C(C)=C/C)[C@H]1[C@@H]2O ZINC000013299719 EF Annotated Mild in-man C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)/C(C)=C/C)[C@H]1[C@@H]2O ZINC000013299721 EF Annotated Mild in-man C=C1COC(=O)[C@]12C[C@]1(C)[C@H](C)CC[C@@H](OC(=O)/C(C)=C/C)[C@H]1[C@@H]2O ZINC000013299723 EF Annotated Mild in-man C=C1COC(=O)[C@]12C[C@]1(C)[C@H](C)CC[C@H](OC(=O)/C(C)=C/C)[C@H]1[C@@H]2O ZINC000013299725 EF Annotated Mild in-man endogenous COc1c2c(c(C=O)c3c(COC(C)=O)coc13)[C@@H](C)[C@H](O)C=C2 ZINC000013301472 EF Annotated Anodyne CN(C)c1ccc(C=NNc2nc(=O)cc(-c3ccccc3)[nH]2)cc1 ZINC000013302193 EF Annotated Anodyne aggregator COc1ccc(C2(CCN(C)C(C)=O)CCC(=O)CC2)cc1OC ZINC000013306752 EF Annotated Anodyne C/C=C1/C[N+]2([O-])CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@@H]32)Nc1ccccc14 ZINC000013309605 EF Annotated Bother C/C=C1/C[N+]2(C)CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@@H]32)Nc1ccccc14 ZINC000013309610 EF Annotated Bother COc1cc2c(cc1O)-c1cc3c(C(C)=O)cncc3c(=O)n1CC2 ZINC000013309742 EF Annotated Anodyne COc1ccc(Cc2coc3c(C)c(O)c(C=O)c(O)c3c2=O)cc1 ZINC000013310197 EF Annotated Anodyne in-vitro biogenic CN1C(=O)c2c3ccccc3nc3c2c1c(O)c1c(=O)n(C)ccc13 ZINC000013311976 EF Annotated Bother C=C1CC[C@@H](O)[C@@]2(C)CC[C@@H]3[C@@H](OC(=O)[C@]3(C)OC(=O)/C(C)=C/C)[C@@H]12 ZINC000013321253 EF Annotated Mild Cc1coc2c1[C@H](OC(=O)C(C)C)[C@]1(C)[C@H](C)C=CC(=O)[C@]1(O)C2=O ZINC000013322838 EF Annotated Mild CC(=O)OCC1=C2[C@@H](/C=C(/C)CC=C=C(C)C[C@H]2OC(C)=O)OC1=O ZINC000013323442 EF Annotated Anodyne C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)C(C)C)=C/C[C@H]12 ZINC000013324769 EF Annotated Mild C=C(C)C(=O)OC/C1=C\C[C@@H]2C(=C)C(=O)O[C@H]2C/C(CO)=C\CC1 ZINC000013324775 EF Annotated Mild C/C=C(/C)C(=O)O[C@H]1C[C@@](C)(O)C2=CCC(C)=C2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000013325513 EF Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@](C)(O)C2=CCC(C)=C2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000013325517 EF Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@](C)(O)C2=CCC(C)=C2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000013325521 EF Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@](C)(O)C2=CCC(C)=C2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000013325525 EF Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@](C)(O)[C@@H]2CC=C(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000013325597 EF Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@](C)(O)C1=CC=C(C)[C@H]12 ZINC000013326610 EF Annotated Mild in-man C=C1C(=O)O[C@H]2[C@H]1C[C@H](OC(=O)/C(C)=C/C)[C@](C)(O)C1=CC=C(C)[C@H]12 ZINC000013326612 EF Annotated Mild in-man C=C1C(=O)O[C@H]2[C@@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@](C)(O)C1=CC=C(C)[C@H]12 ZINC000013326614 EF Annotated Mild in-man C=C1C(=O)O[C@H]2[C@@H]1C[C@H](OC(=O)/C(C)=C/C)[C@](C)(O)C1=CC=C(C)[C@H]12 ZINC000013326616 EF Annotated Mild in-man COc1ccc(C[C@H]2COc3c(C)c(O)c(C=O)c(O)c3C2=O)cc1 ZINC000013327533 EF Annotated Anodyne C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H](O)[C@@H]3O ZINC000013329326 EF Annotated Mild in-man C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H](O)[C@@H]3O ZINC000013329328 EF Annotated Mild in-man C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H](O)[C@@H]3O ZINC000013329330 EF Annotated Mild in-man C=C1CC[C@H]2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@H]1CCC1=CC(=O)OC1 ZINC000013330000 EF Annotated Mild CC(=O)Oc1cc(OC(C)=O)c2c(c1)C(=O)c1cc(C)ccc1C2=O ZINC000013334383 EF Annotated Clean CC(=O)Oc1cc(C)c(OC(C)=O)c2c1C(=O)c1ccccc1C2=O ZINC000013334384 EF Annotated Clean CC(=O)Oc1ccc(OC(C)=O)c2c1C(=O)c1ccc(C)cc1C2=O ZINC000013334390 EF Annotated Clean CC(=O)Oc1cccc2c1C(=O)c1ccc(C)c(OC(C)=O)c1C2=O ZINC000013334391 EF Annotated Clean COC(=O)c1c(O)cc2c(c1O)C[C@H](O)[C@](C)(CCC=C(C)C)O2 ZINC000013335020 EF Annotated Anodyne CC(C)C1=CC(=O)[C@]2(C)CC[C@]3(C)C(=CC=C(C=O)C[C@@H]3O)[C@]12O ZINC000013337431 EF Annotated Reactive C[C@H]1CCN2C[C@@]34Cc5c([nH]c6ccccc56)C(C)(C)[C@H]3C[C@@]12C(=O)N4 ZINC000013369860 EF Annotated Anodyne CNc1cc(CO)c2c(c1OC)N[C@H](c1ccc(O)cc1)CN(C)C2 ZINC000013370848 EF Annotated Anodyne COc1ccc2cc3c4c(c(CO)c(O)c(OC)c4c2c1)C(=O)N3 ZINC000013372594 EF Annotated Bother COc1nc(O)c(C(=O)[C@H](C)C[C@H](C)[C@@H](C)Cl)c(O)c1OC ZINC000013374146 EF Annotated Reactive CC(=O)O[C@@H](COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O ZINC000013374911 EF Annotated Anodyne CC(=O)O[C@H](COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O ZINC000013374913 EF Annotated Anodyne C[C@]1(C[C@H](O)c2ccoc2)CC(=O)C[C@@]23COC(=O)C2=CCC[C@H]13 ZINC000013375334 EF Annotated Anodyne COC[C@](O)(CCC(C)=C(C)C)[C@H]1Cc2cc(C(N)=O)ccc2N1 ZINC000013376006 EF Annotated Anodyne CO[C@@H]1Oc2cc(O)ccc2-c2c1oc1cc(O)c(C)c(O)c1c2=O ZINC000013378579 EF Annotated Anodyne CO[C@H]1Oc2cc(O)ccc2-c2c1oc1cc(O)c(C)c(O)c1c2=O ZINC000013378580 EF Annotated Anodyne in-vitro biogenic COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)[N+](C)([O-])CC4)OCO3 ZINC000013380113 EF Annotated Bother O=c1c(O)cc2c3c4cccc(O)c4c(=O)c(O)c-3c3ccc(O)c1c3-2 ZINC000013380131 EF Annotated Bother O=c1ccc2c3c4cccc(O)c4c(=O)c(O)c-3c3ccc(O)c1c3-2 ZINC000013380132 EF Annotated Bother COc1cc2c(c(O)c1O)C[C@@H]1C(C)(C)c3ccccc3[C@@]1(O)C2=O ZINC000013383530 EF Annotated Clean COc1cc2c(c(O)c1O)C[C@@H]1C(C)(C)c3ccccc3[C@]1(O)C2=O ZINC000013383531 EF Annotated Clean COc1cc2c(c(O)c1O)C[C@H]1C(C)(C)c3ccccc3[C@@]1(O)C2=O ZINC000013383532 EF Annotated Clean COc1cc2c(c(O)c1O)C[C@H]1C(C)(C)c3ccccc3[C@]1(O)C2=O ZINC000013383533 EF Annotated Clean COc1cc2c(cc1O)C[C@H]1c3c(ccc(OC)c3O)CC[N+]1([O-])C2 ZINC000013383912 EF Annotated Clean COc1cc2c(=O)oc3cc(C)cc(O)c3c(=O)c2c(OC)c1Cl ZINC000013386199 EF Annotated Bother C[C@H]1O[C@H]2O[C@]1(C)[C@H]1Oc3[nH]cc(-c4ccccc4)c(=O)c3[C@@]21C ZINC000013398105 EF Annotated Anodyne COc1cc2c(c(O)c1OC)CCCN1CCC3=CC[C@@H](OC)C[C@@]321 ZINC000013406468 EF Annotated Anodyne C=C[C@@]1(O)C(=O)Nc2cc(Br)cc(Br)c21 ZINC000013407450 EF Annotated Mild CO/C=C1/C(=O)N(c2cc(C(=O)OC)ccc2O)c2ccccc21 ZINC000013409127 EF Annotated Anodyne COc1cc2c(cc1O)CC[N+]1(C)c3cc4c(cc3C[C@@H]21)OCO4 ZINC000013411653 EF Annotated Clean CC(=O)Oc1cc(O)cc2c1C(=O)/C=C/CCC[C@H](C)OC(=O)C2 ZINC000013412667 EF Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)C2=CCCN2C1=O ZINC000013415197 EF Annotated Mild O=C1C[C@H]2[C@H]3CCC(=O)c4c(O)ccc(c43)[C@@]2(O)c2cccc(O)c21 ZINC000013431312 EF Annotated Anodyne COc1c(C)c(O)c(C(=O)CC(=O)c2ccccc2)c(O)c1C=O ZINC000013437167 EF Annotated Anodyne CCc1cc2c(C(=O)Nc3cc[n+]([O-])cc3Cl)cnc(OC)c2o1 ZINC000013437944 EF Annotated Anodyne CCc1cc2c(C(=O)Nc3cc[n+]([O-])cc3C)cnc(OC)c2o1 ZINC000013437948 EF Annotated Anodyne O=C(O)CCCCC(=O)N1CCC2(CCN(c3ccncc3)CC2)C1 ZINC000013440547 EF Annotated Anodyne O=C(O)Cc1ccc(CSc2nc(-c3ccncc3)n[nH]2)cc1 ZINC000013442462 EF Annotated Anodyne CCOC(=O)COc1ccccc1C1=CC(=O)C(=O)c2ccccc21 ZINC000013443876 EF Annotated Mild C[C@@H]1SC(=O)NN=C1c1ccc2c(c1)[C@]1(CCCS1)C(=O)N2 ZINC000013447606 EF Annotated Anodyne C[C@H]1SC(=O)NN=C1c1ccc2c(c1)[C@]1(CCCS1)C(=O)N2 ZINC000013447609 EF Annotated Anodyne C[C@@H]1SC(=O)NN=C1c1ccc2c(c1)[C@@]1(CCCS1)C(=O)N2 ZINC000013447612 EF Annotated Anodyne C[C@H]1SC(=O)NN=C1c1ccc2c(c1)[C@@]1(CCCS1)C(=O)N2 ZINC000013447615 EF Annotated Anodyne O=[S@](Cc1cc(OC(F)F)ccn1)c1nc2cscc2[nH]1 ZINC000013448830 EF Annotated Anodyne O=[S@@](Cc1cc(OC(F)F)ccn1)c1nc2cscc2[nH]1 ZINC000013448833 EF Annotated Anodyne C[C@H](CO)Cc1cc(O)c(O)c(Br)c1Br ZINC000013450195 EF Annotated Clean C[S@@](=O)Cc1cc(O)c(O)c(Br)c1Br ZINC000013450603 EF Annotated Clean C[S@](=O)Cc1cc(O)c(O)c(Br)c1Br ZINC000013450609 EF Annotated Clean CC(=O)c1c(C2=NC[C@@]3(CN4CCC3CC4)O2)c2ccccc2n1C ZINC000013451735 EF Annotated Anodyne CC(=O)c1c(C2=NC[C@]3(CN4CCC3CC4)O2)c2ccccc2n1C ZINC000013451739 EF Annotated Anodyne O=C(O)c1cc(O)c2c(Cl)cc(I)cc2n1 ZINC000013455100 EF Annotated Anodyne O=C1C[C@@H](C(=O)O)Nc2cc(Br)cc(Br)c21 ZINC000013455129 EF Annotated Anodyne O=C1C[C@H](C(=O)O)Nc2cc(Br)cc(Br)c21 ZINC000013455132 EF Annotated Anodyne O=C(O)[C@H]1C[C@H](N2CCCC2=O)c2c(Cl)cc(Cl)cc2N1 ZINC000013455353 EF Annotated Anodyne Cc1cc(C)c2c(c1)N[C@@H](C(=O)O)C[C@@H]2NC(=O)Cc1ccccc1 ZINC000013455381 EF Annotated Anodyne CNC(=O)CN1CCC2=C(C1)c1c(O)cc(C(C)C)cc1OC2(C)C ZINC000013455573 EF Annotated Anodyne C[C@@H]1C[C@@](O)(CC(=O)O)c2cc(Cl)c(Br)cc2O1 ZINC000013456217 EF Annotated Anodyne CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]13O[C@]21C(=O)C=C(C=O)[C@@H]3[C@@H]1CO1 ZINC000013457504 EF Annotated Reactive COc1cc(-c2ccc3cccc4c3c2C(=O)[C@H](O)[C@@H]4O)ccc1O ZINC000013462486 EF Annotated Anodyne in-man COc1cc(-c2ccc3cccc4c3c2C(=O)[C@@H](O)[C@@H]4O)ccc1O ZINC000013462488 EF Annotated Anodyne in-man COc1cc(-c2ccc3cccc4c3c2C(=O)[C@@H](O)[C@H]4O)ccc1O ZINC000013462492 EF Annotated Anodyne in-man O=C(Nc1ccccc1Br)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)O ZINC000013466034 EF Annotated Anodyne O=C(Cn1nnc(-c2ccccc2)n1)/N=N/c1c(O)[nH]c2ccccc12 ZINC000013468127 EF Annotated Clean CC/N=C(\S)N1[C@H]2CC[C@@H]1CC(NC(=O)NC1CCCCC1)C2 ZINC000013471317 EF Annotated Mild C[C@]12CC[C@H](c3cccc(CO)c3)C[C@@]1(O)CC[C@@H]2/C=N/OCCN ZINC000013471882 EF Annotated Mild Cc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(N)c2)o1 ZINC000013473013 EF Annotated Anodyne CCCCCOc1nc(N)nc2ncc(C#Cc3ccccc3)nc12 ZINC000013474478 EF Annotated Mild COc1ccc([C@@H]2CNc3nc(N)nc(N4CCCCC4)c3N2)cc1 ZINC000013474487 EF Annotated Anodyne COc1ccc([C@H]2CNc3nc(N)nc(N4CCCCC4)c3N2)cc1 ZINC000013474488 EF Annotated Anodyne Cc1ccnc2c1/C(=N/N=C(N)N)C[C@@H](c1ccccc1Cl)C2 ZINC000013474671 EF Annotated Mild Cc1ccnc2c1/C(=N/N=C(N)N)C[C@@H](c1cc(F)ccc1Cl)C2 ZINC000013474710 EF Annotated Mild Cc1ccc(F)cc1[C@H]1C/C(=N\N=C(N)N)c2c(C)ccnc2C1 ZINC000013474711 EF Annotated Mild Cc1ccnc2c1/C(=N/N=C(N)N)C[C@H](c1sccc1Cl)C2 ZINC000013474718 EF Annotated Mild Cc1ccnc2c1/C(=N/N=C(N)N)C[C@@H](c1sccc1Cl)C2 ZINC000013474719 EF Annotated Mild Cc1ccnc2c1/C(=N/N=C(N)N)C[C@H](c1ccsc1Cl)C2 ZINC000013474724 EF Annotated Mild Cc1ccnc2c1/C(=N/N=C(N)N)C[C@@H](c1ccsc1Cl)C2 ZINC000013474725 EF Annotated Mild CC(C)(C)c1ccn2c(c1)nc1c2c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000013475096 EF Annotated Anodyne O=c1onc2n1-c1ccccc1S[C@@]2(O)c1ccc(Cl)cc1 ZINC000013475242 EF Annotated Anodyne O=c1onc2n1-c1ccccc1S[C@]2(O)c1ccc(Cl)cc1 ZINC000013475243 EF Annotated Anodyne CC1=CS[C@@](O)(c2cccc(C(F)(F)F)c2)c2noc(=O)n21 ZINC000013475274 EF Annotated Anodyne CC1=CS[C@](O)(c2cccc(C(F)(F)F)c2)c2noc(=O)n21 ZINC000013475275 EF Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1CC(c2ccccc2F)=NO1 ZINC000013478512 EF Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1CC(c2ccccc2F)=NO1 ZINC000013478514 EF Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nc(N)cc(O)n1 ZINC000013479189 EF Annotated Anodyne aggregator CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)CSc1nc(N)cc(O)n1 ZINC000013479193 EF Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)CSc1nc(N)cc(O)n1 ZINC000013479195 EF Annotated Anodyne O=C1c2ccccc2C(=O)N1S(=O)(=O)c1ccc2ccccc2c1 ZINC000013479513 EF Annotated Anodyne N#CCCN1N=C(c2ccc(OCc3ccccc3)cc2)OCC1=O ZINC000013479533 EF Annotated Mild C/C=C(\C)C(=O)OC(C)(C)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1O ZINC000013480105 EF Annotated Anodyne O=c1[nH]c2c(c3ccc4c(c13)OCO4)CCc1cc3c(cc1-2)OCO3 ZINC000013480269 EF Annotated Anodyne COc1cc(O)c2c(O)c3c(cc2c1)C[C@@](C)(OC(C)=O)CC3=O ZINC000013480345 EF Annotated Anodyne C/C(=C\COc1cc(O)cc2oc(=O)ccc12)CC[C@H](O)C(C)(C)O ZINC000013481537 EF Annotated Anodyne in-vitro biogenic COc1ccc(C[C@@H]2COc3cc(O)cc(OC)c3C2=O)cc1O ZINC000013481891 EF Annotated Anodyne in-man COc1ccc(C[C@H]2COc3cc(O)cc(OC)c3C2=O)cc1O ZINC000013481892 EF Annotated Anodyne in-man COc1cc(O)c2c(c1)OC[C@H](Cc1ccc(OC)c(O)c1)C2=O ZINC000013481894 EF Annotated Anodyne in-vitro biogenic COc1cc(C[C@@H]2COc3c(C)c(O)c(C)c(O)c3C2=O)ccc1O ZINC000013481897 EF Annotated Anodyne COc1cc(C[C@H]2COc3c(C)c(O)c(C)c(O)c3C2=O)ccc1O ZINC000013481898 EF Annotated Anodyne in-vitro biogenic COC(=O)c1ccc(/C=N/OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000013482067 EF Annotated Mild C=C1CC/C=C(/COC(C)=O)C(=O)C[C@@H]2[C@@H]1C[C@@]2(C)COC(C)=O ZINC000013483060 EF Annotated Mild C=C1CC/C=C(/COC(C)=O)C(=O)C[C@@H]2[C@H]1C[C@]2(C)COC(C)=O ZINC000013483063 EF Annotated Mild C=C1CC/C=C(/COC(C)=O)C(=O)C[C@@H]2[C@@H]1C[C@]2(C)COC(C)=O ZINC000013483065 EF Annotated Mild C=C1[C@@H](O)CC[C@@H]2[C@@](C)(C[C@H](O)C3=CC(=O)OC3)[C@H](C)CC[C@@]12C ZINC000013484103 EF Annotated Mild C=Cc1c(OC)cc2c(c1O)C(=O)c1c(cc(OC)c(C)c1O)C2=O ZINC000013484846 EF Annotated Clean C=C[C@]1(C)C[C@H](OC(=O)CC(C)C)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO ZINC000013485870 EF Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C ZINC000013486225 EF Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2C[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000013486226 EF Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@H]2C[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C ZINC000013486227 EF Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@H]2C[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000013486228 EF Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C ZINC000013486237 EF Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2C[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000013486238 EF Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@H]2C[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C ZINC000013486239 EF Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@H]2C[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000013486240 EF Annotated Anodyne in-man CCCCOC(=O)c1cc2c([nH]c3ccccc32)c([C@H](O)CO)n1 ZINC000013486441 EF Annotated Anodyne CCCCOC(=O)c1cc2c([nH]c3ccccc32)c([C@@H](O)CO)n1 ZINC000013486442 EF Annotated Anodyne Nc1nc(N)c([C@@H](O)c2ccccc2)c(OCC2CCCCC2)n1 ZINC000013487071 EF Annotated Anodyne Nc1nc(N)c([C@H](O)c2ccccc2)c(OCC2CCCCC2)n1 ZINC000013487072 EF Annotated Anodyne Nc1nc(N)c(C(=O)c2ccccc2)c(OCC2CCCCC2)n1 ZINC000013487073 EF Annotated Anodyne CCN1C(=O)C(=Cc2cc3ccccc3[nH]2)C(=O)N(CC)C1=S ZINC000013487537 EF Annotated Clean CCN1C(=O)C(=Cc2cnc3ccccc3c2)C(=O)N(CC)C1=S ZINC000013487538 EF Annotated Clean CCN1C(=O)C(=Cc2ccc3ccccc3n2)C(=O)N(CC)C1=S ZINC000013487539 EF Annotated Clean CCN1C(=O)C(=Cc2c[nH]c3c(C)cccc23)C(=O)N(CC)C1=S ZINC000013487541 EF Annotated Clean CCCCC/C=C/C(=O)OCCS(=O)(=O)c1cccc(N)c1 ZINC000013487928 EF Annotated Anodyne C[S@@](=O)c1ccc(C2=C3c4ccccc4CC[C@@]3(O)OC2=O)cc1 ZINC000013489694 EF Annotated Anodyne C[S@](=O)c1ccc(C2=C3c4ccccc4CC[C@@]3(O)OC2=O)cc1 ZINC000013489695 EF Annotated Anodyne C[S@@](=O)c1ccc(C2=C3c4ccccc4CC[C@]3(O)OC2=O)cc1 ZINC000013489696 EF Annotated Anodyne C[S@](=O)c1ccc(C2=C3c4ccccc4CC[C@]3(O)OC2=O)cc1 ZINC000013489697 EF Annotated Anodyne [O-][n+]1cccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1 ZINC000013489749 EF Annotated Anodyne O=C(O)c1cc2cc(O)c(O)cc2c([C@@H](O)c2cccc(F)c2)n1 ZINC000013490160 EF Annotated Clean O=C(O)c1cc2cc(O)c(O)cc2c([C@H](O)c2cccc(F)c2)n1 ZINC000013490161 EF Annotated Clean O=C(O)c1ccc2nc(C(=O)O)cc(Cc3ccc(O)c(O)c3)c2c1 ZINC000013490176 EF Annotated Clean O=C(O)c1cc(Cc2ccc(O)c(O)c2)c2cc(O)c(F)cc2n1 ZINC000013490178 EF Annotated Clean CC(=O)Nc1nc(CSc2cnc(NC(C)=O)s2)cs1 ZINC000013490963 EF Annotated Anodyne CC1(C)C(c2cc(=O)c3cc(OS(N)(=O)=O)ccc3o2)C1(C)C ZINC000013491330 EF Annotated Anodyne NC1=NC2(CCN(C(=O)c3ccsc3)CC2)Nc2cccc(F)c21 ZINC000013493551 EF Annotated Anodyne N#C[C@H](C(=O)O)[C@@H]1C(=O)N(Cc2ccc(F)cc2)c2ccc(F)cc21 ZINC000013494129 EF Annotated Mild N#C[C@@H](C(=O)O)[C@H]1C(=O)N(Cc2ccc(F)cc2)c2ccc(F)cc21 ZINC000013494130 EF Annotated Mild C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000013509033 EF Annotated Mild in-vitro Cc1nccc2[nH]c(=O)c(C(=O)N[C@@H](C)CCc3ccccc3)cc12 ZINC000013520784 EF Annotated Anodyne Cc1nccc2[nH]c(=O)c(C(=O)N[C@H](C)CCc3ccccc3)cc12 ZINC000013520788 EF Annotated Anodyne Cc1ccc2[nH]c(=O)c3cc(C(=O)NC[C@@H]4CCCO4)sc3c2c1 ZINC000013521235 EF Annotated Anodyne Cc1ccc2[nH]c(=O)c3cc(C(=O)NC[C@H]4CCCO4)sc3c2c1 ZINC000013521237 EF Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1cc2c(=O)[nH]c3ccccc3c2s1 ZINC000013521281 EF Annotated Anodyne O=C(NC[C@H]1CCCO1)c1cc2c(=O)[nH]c3ccccc3c2s1 ZINC000013521285 EF Annotated Anodyne O=C(CN1CCCCC1)Nc1ccc2nc(O)c3ccccc3c2n1 ZINC000013524028 EF Annotated Bother C[n+]1cccc(C(=O)OCCCn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC000013524835 EF Annotated Bother C/C(=C\C=C(/O)C(=O)O)C(=O)CC[C@@H]1C(=O)CC[C@]2(C)C(=O)CC[C@@H]12 ZINC000013526126 EF Annotated Mild in-vitro O=C(O)Cc1cccc2c(=O)c([N+](=O)[O-])c(-c3ccccc3)oc12 ZINC000013526407 EF Annotated Bother CSc1nc2ccc(F)cn2c(=N)c1S(=O)(=O)c1ccccc1 ZINC000013528549 EF Annotated Anodyne CN1CCN(C2=Cn3c(C=O)ccc3Sc3ccccc32)CC1 ZINC000013532222 EF Annotated Anodyne CN1CCN(C2=Cn3c(CO)ccc3Sc3ccccc32)CC1 ZINC000013532228 EF Annotated Anodyne CN1CCN(C2=Cn3c(/C=N/O)ccc3Sc3ccccc32)CC1 ZINC000013532233 EF Annotated Mild CCCOC(=O)c1[nH]c(COC(C)=O)c(C(=O)OC(C)(C)C)c1C ZINC000013533451 EF Annotated Anodyne CCCOC(=O)c1[nH]c(C(=O)OC)c(C(=O)OC(C)(C)C)c1C ZINC000013533463 EF Annotated Anodyne CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1CC(=O)O ZINC000013533572 EF Annotated Anodyne NCC[S@@](=O)c1cc(-c2ccc[nH]2)c2c3c(ccc(F)c13)NC2=O ZINC000013535982 EF Annotated Anodyne NCC[S@](=O)c1cc(-c2ccc[nH]2)c2c3c(ccc(F)c13)NC2=O ZINC000013535986 EF Annotated Anodyne O=C1C[C@@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000013544279 EF Annotated Anodyne O=C1C[C@@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000013544281 EF Annotated Anodyne COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CC[N+]2(C)[O-])cc1O ZINC000013545532 EF Annotated Bother O=C(Nc1csc(-c2ccccc2Cl)n1)NN1CCOCC1 ZINC000013553619 EF Annotated Anodyne COc1cc2c(cc1OC)C(c1cccc(N)c1)=NN=C(S)C2 ZINC000013555791 EF Annotated Anodyne Cc1ccc(C(=O)C2CCN(C(=S)NC[C@@H]3CCCO3)CC2)cc1 ZINC000013555955 EF Annotated Anodyne Cc1ccc(C(=O)C2CCN(C(=S)NC[C@H]3CCCO3)CC2)cc1 ZINC000013555958 EF Annotated Anodyne C[C@@]1(CC(=O)O)c2nc(O)c(O)nc2-c2cc(Cl)cc(Cl)c21 ZINC000013558302 EF Annotated Anodyne C[C@]1(CC(=O)O)c2nc(O)c(O)nc2-c2cc(Cl)cc(Cl)c21 ZINC000013558303 EF Annotated Anodyne C[C@@]1(CC(=O)O)c2cc(Cl)c(Cl)cc2-c2nc(O)c(O)nc21 ZINC000013558304 EF Annotated Anodyne C[C@]1(CC(=O)O)c2cc(Cl)c(Cl)cc2-c2nc(O)c(O)nc21 ZINC000013558305 EF Annotated Anodyne C[C@@]1(CC(=O)O)c2ccc(Cl)c(Cl)c2-c2nc(O)c(O)nc21 ZINC000013558306 EF Annotated Anodyne C[C@]1(CC(=O)O)c2ccc(Cl)c(Cl)c2-c2nc(O)c(O)nc21 ZINC000013558307 EF Annotated Anodyne CCCC/N=C(\N)Nc1nc(-c2cccc(CNC(C)=O)c2)co1 ZINC000013558612 EF Annotated Mild COC(=O)c1cccc2c1c1c3c(cc4c1n2C(=O)CC4)CNCC3 ZINC000013558705 EF Annotated Anodyne COC(=O)c1ccc2c(c1)c1c3c(cc4c1n2C(=O)CC4)CNCC3 ZINC000013558711 EF Annotated Anodyne COC(=O)c1ccc2c3c4c(cc5c3n(c2c1)C(=O)CC5)CNCC4 ZINC000013558717 EF Annotated Anodyne COC(=O)c1ccc2c(c1)c1c3c(cc4c1n2C(=O)CC4)CCNC3 ZINC000013558731 EF Annotated Anodyne CCCC1(CCC)C(=O)OC[C@H]1NS(=O)(=O)c1cccs1 ZINC000013558778 EF Annotated Anodyne N[C@H](c1ccc(O)cc1Cl)[C@@H](NC=O)c1ccc(O)cc1Cl ZINC000013559443 EF Annotated Anodyne CCCO[C@H]1c2c(ncn2Cc2ccc(OC)cc2)N=CN(C)N1C ZINC000013559507 EF Annotated Anodyne CCCO[C@@H]1c2c(ncn2Cc2ccc(OC)cc2)N=CN(C)N1C ZINC000013559508 EF Annotated Anodyne COc1ccc(Cn2cnc3c2[C@H](OC(C)C)N(C)N(C)C=N3)cc1 ZINC000013559511 EF Annotated Anodyne COc1ccc(Cn2cnc3c2[C@@H](OC(C)C)N(C)N(C)C=N3)cc1 ZINC000013559512 EF Annotated Anodyne CS(=O)(=O)c1ccc(-c2cc(CCO)nn2C2CCCCC2)cc1 ZINC000013560523 EF Annotated Anodyne CC1(C)CC(=O)C(C(=N)NC(=O)c2ccc([N+](=O)[O-])cc2)=C(O)C1 ZINC000013572612 EF Annotated Mild C[C@@H]1CC(C)(C)NC(=S)N1CCC(=O)N1CCc2ccccc21 ZINC000013572968 EF Annotated Anodyne C[C@H]1CC(C)(C)NC(=S)N1CCC(=O)N1CCc2ccccc21 ZINC000013572971 EF Annotated Anodyne C[C@@H]1CC(C)(C)NC(=S)N1CCC(=O)N1CCc2ccccc2C1 ZINC000013572990 EF Annotated Anodyne C[C@H]1CC(C)(C)NC(=S)N1CCC(=O)N1CCc2ccccc2C1 ZINC000013572993 EF Annotated Anodyne N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1cccc(O)c1 ZINC000013580867 EF Annotated Mild CC(C)[C@H](CO)Nc1nc(OCC2CCCCC2)c2nc[nH]c2n1 ZINC000013580888 EF Annotated Anodyne CC(C)[C@@H](CO)Nc1nc(OCC2CCCCC2)c2nc[nH]c2n1 ZINC000013580890 EF Annotated Anodyne Cc1c(NC(=O)Nc2ccc(Br)cc2)sn[n+]1C ZINC000013583511 EF Annotated Anodyne CCOC(=O)/C(=C\c1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013584337 EF Annotated Mild NC(=S)c1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2 ZINC000013584542 EF Annotated Anodyne COCC[S@@](=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000013584840 EF Annotated Anodyne COCC[S@](=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000013584842 EF Annotated Anodyne CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)NO)C1 ZINC000013584857 EF Annotated Anodyne CNC(=O)CSC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000013584859 EF Annotated Anodyne CC1=C(CCCCc2nnnn2CCC#N)C(=O)c2ccccc2C1=O ZINC000013585237 EF Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)C(C)C)=C\C[C@H]12 ZINC000013585335 EF Annotated Mild C=C(C)C(=O)OC/C1=C/C[C@@H]2C(=C)C(=O)O[C@H]2C/C(CO)=C\CC1 ZINC000013585356 EF Annotated Mild CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(C(=O)O)c1 ZINC000013586176 EF Annotated Reactive CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(C(=O)O)c1 ZINC000013586178 EF Annotated Reactive CNCC(=O)Nc1cccc(S[C@@H](CC(=O)O)c2cccnc2)c1 ZINC000013589284 EF Annotated Anodyne CNCC(=O)Nc1cccc(S[C@H](CC(=O)O)c2cccnc2)c1 ZINC000013589285 EF Annotated Anodyne NCCC(=O)Nc1cccc(S[C@@H](CC(=O)O)c2cccnc2)c1 ZINC000013589296 EF Annotated Anodyne NCCC(=O)Nc1cccc(S[C@H](CC(=O)O)c2cccnc2)c1 ZINC000013589297 EF Annotated Anodyne NCCC(=O)Nc1ccc(S[C@@H](CC(=O)O)c2cccnc2)cc1 ZINC000013589322 EF Annotated Anodyne NCCC(=O)Nc1ccc(S[C@H](CC(=O)O)c2cccnc2)cc1 ZINC000013589323 EF Annotated Anodyne CN(Cc1cnccn1)Cc1nc(Cc2ccccc2Cl)no1 ZINC000013593154 EF Annotated Anodyne Cc1ccc(-c2nc(CN3CCN(c4cnccn4)CC3)c(C)o2)o1 ZINC000013593170 EF Annotated Anodyne COc1ccc(-c2[nH]ncc2CN(C)Cc2cnccn2)c(OC)c1 ZINC000013593752 EF Annotated Anodyne CN(Cc1cc2cc(F)ccc2[nH]1)Cc1nc(-c2cnccn2)no1 ZINC000013593832 EF Annotated Anodyne Cc1cc(-c2nnc(CCC(=O)NCc3ccc(F)c(F)c3)o2)no1 ZINC000013593855 EF Annotated Anodyne O=C(CCc1nnc(CCC2CCCCC2)o1)NCCn1cccn1 ZINC000013593860 EF Annotated Anodyne Clc1cccc2c1CCN(Cc1nc(-c3cnccn3)no1)C2 ZINC000013595021 EF Annotated Anodyne Cc1cc(-c2nnc(CCC(=O)N(C)Cc3ccsc3)o2)no1 ZINC000013595563 EF Annotated Anodyne CN(Cc1cnn(C)c1)Cc1nc(Cc2ccccc2Cl)no1 ZINC000013595896 EF Annotated Anodyne Cn1cc(CNCCN2CCCCC2=O)c(-c2cccc(Cl)c2)n1 ZINC000013596514 EF Annotated Anodyne COc1cccc(CC2(CO)CCN(Cc3cn(C)nc3C)CC2)c1 ZINC000013596716 EF Annotated Anodyne COC(=O)c1ccc(/N=C/c2c(C(F)(F)F)nn(C)c2O)cc1 ZINC000013597616 EF Annotated Mild CN1Cc2ccccc2[C@@H](c2ccccc2)N=C1CN1CCOCC1 ZINC000013600264 EF Annotated Anodyne CN1Cc2ccccc2[C@H](c2ccccc2)N=C1CN1CCOCC1 ZINC000013600266 EF Annotated Anodyne S=C=Nc1ccc(CC2=NCCN2)cc1I ZINC000013601125 EF Annotated Reactive Cc1c(-n2ccnc2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000013604374 EF Annotated Anodyne Cc1c(N2CCCCC2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000013605023 EF Annotated Anodyne CNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccc(C(C)C)cc1C2=O ZINC000013606005 EF Annotated Anodyne O=c1cc(N(CCO)Cc2ccccc2)nc2c3ccccc3ccn12 ZINC000013608199 EF Annotated Bother O=C(NCc1ccccc1)C1=C[C@@H](C2CC2)C[C@@H](OCCCCO)O1 ZINC000013635014 EF Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc(S)nc(O)c2[C@@H]1c1ccc(O)cc1 ZINC000013637596 EF Annotated Anodyne CO/C(O)=C1/C(C)=Nc2nc(S)nc(O)c2[C@H]1c1ccc(O)cc1 ZINC000013637599 EF Annotated Anodyne COc1cc(/C=N/N=C(/S)Nc2cccnc2)cc(OC)c1O ZINC000013637743 EF Annotated Mild C[C@@H](SCc1cc(O)n2c(nc3ccccc32)c1C#N)C(=O)O ZINC000013638023 EF Annotated Mild C[C@H](SCc1cc(O)n2c(nc3ccccc32)c1C#N)C(=O)O ZINC000013638026 EF Annotated Mild COCCNCc1nc(=O)c2c(-c3ccccc3)c(C)sc2[nH]1 ZINC000013638330 EF Annotated Anodyne CCN1CCC[C@@H]1Cn1cnc2c3cc(OC)ccc3nc-2c1O ZINC000013639040 EF Annotated Anodyne CCN1CCC[C@H]1Cn1cnc2c3cc(OC)ccc3nc-2c1O ZINC000013639043 EF Annotated Anodyne O=c1[nH]c2ccc(Cl)cc2n2c(=O)c(-c3ccc(Cl)cc3)nn12 ZINC000013642900 EF Annotated Anodyne COCCNc1nccc(/C(C#N)=C2\Nc3ccccc3S2)n1 ZINC000013647710 EF Annotated Reactive Cc1c(CO)nc2n1N=C(c1ccccc1)c1cc3c(cc1C2)OCO3 ZINC000013647800 EF Annotated Anodyne OCCCNc1cncc(-c2cncc(NCc3ccccc3)n2)c1 ZINC000013648353 EF Annotated Anodyne COc1cccc2c1Oc1cccc(C(=O)NCCN(C)C)c1O2 ZINC000013650214 EF Annotated Anodyne CN(C)CCNC(=O)c1cccc2c1Oc1cc([N+](=O)[O-])ccc1O2 ZINC000013650221 EF Annotated Bother COc1cccc2c1Oc1c(cccc1C(=O)NCCN(C)C)O2 ZINC000013650225 EF Annotated Anodyne N=c1cc2c3cc(N)c(O)c4c(O)ccc(c5ccc(O)c(c1=O)c52)c43 ZINC000013650841 EF Annotated Bother O=C1O[C@@H](CN2CCOCC2)CC1(c1ccccc1)c1ccccc1 ZINC000013651090 EF Annotated Anodyne O=C1O[C@H](CN2CCOCC2)CC1(c1ccccc1)c1ccccc1 ZINC000013651091 EF Annotated Anodyne O=C1O[C@H](Cn2ccnc2CO)CC1(c1ccccc1)c1ccccc1 ZINC000013651118 EF Annotated Anodyne O=C1O[C@@H](Cn2ccnc2CO)CC1(c1ccccc1)c1ccccc1 ZINC000013651119 EF Annotated Anodyne C[n+]1ccn(C[C@@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)c1 ZINC000013651142 EF Annotated Anodyne C[n+]1ccn(C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)c1 ZINC000013651143 EF Annotated Anodyne Cc1n(C[C@@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)cc[n+]1C ZINC000013651146 EF Annotated Anodyne Cc1n(C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)cc[n+]1C ZINC000013651147 EF Annotated Anodyne C[n+]1cccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000013651174 EF Annotated Anodyne C[n+]1cccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000013651175 EF Annotated Anodyne Cc1ccn(C[C@@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)[n+]1C ZINC000013651176 EF Annotated Anodyne Cc1ccn(C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)[n+]1C ZINC000013651177 EF Annotated Anodyne Cc1cn(C[C@@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)[n+](C)c1 ZINC000013651178 EF Annotated Anodyne Cc1cn(C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)[n+](C)c1 ZINC000013651179 EF Annotated Anodyne C[C@@]1(OC(=O)c2cccs2)C(=O)C=C2C=C3CCCN3C=C2C1=O ZINC000013656297 EF Annotated Mild C[C@]1(OC(=O)c2cccs2)C(=O)C=C2C=C3CCCN3C=C2C1=O ZINC000013656300 EF Annotated Mild C#CCNC(=O)C1=C[C@@H](C2CCCCC2)[C@H](CCCO)[C@@H](OCC)O1 ZINC000013656387 EF Annotated Mild NC(=O)C1=C[C@H](c2csc3ccccc23)C[C@H](OCCCCO)O1 ZINC000013656390 EF Annotated Anodyne NC(=O)C1=C[C@@H](c2ccccc2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013656416 EF Annotated Anodyne NC(=O)C1=C[C@@H](c2csc3ccccc23)C[C@@H](OCCCCO)O1 ZINC000013656449 EF Annotated Anodyne C#CCNC(=O)C1=C[C@H](C2CCCCC2)[C@@H](CCCO)[C@H](OCC)O1 ZINC000013656511 EF Annotated Mild NC(=O)C1=C[C@H](c2ccccc2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013656572 EF Annotated Anodyne CCO[C@H]1OC(C(=O)NCc2ccccc2)=C[C@@H](C)[C@@H]1CCCO ZINC000013656981 EF Annotated Anodyne O=C(NCc1ccccc1)C1=C[C@H](C2CC2)C[C@H](OCCCCO)O1 ZINC000013657011 EF Annotated Anodyne CCO[C@@H]1OC(C(=O)NCc2ccccc2)=C[C@H](C)[C@H]1CCCO ZINC000013657036 EF Annotated Anodyne O=C(NC1CC1)C1=C[C@@H](C2CCCCC2)C[C@@H](OCCCCO)O1 ZINC000013657283 EF Annotated Anodyne CCO[C@H]1OC(C(=O)NC2CC2)=C[C@@H](c2ccccc2)[C@@H]1CCCO ZINC000013657288 EF Annotated Anodyne CCO[C@@H]1OC(C(=O)NC2CC2)=C[C@H](c2ccccc2)[C@H]1CCCO ZINC000013657295 EF Annotated Anodyne O=C(NC1CC1)C1=C[C@@H](C2CC2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013657311 EF Annotated Anodyne O=C(NC1CC1)C1=C[C@H](C2CCCCC2)C[C@H](OCCCCO)O1 ZINC000013657317 EF Annotated Anodyne CCO[C@@H]1OC(C(=O)NC2CC2)=C[C@H](C(C)(C)C)[C@H]1CCCO ZINC000013657319 EF Annotated Anodyne CCCNc1nc(C)cc(-c2cc(C(=O)NC3CCCC3)on2)n1 ZINC000013657602 EF Annotated Anodyne COCCNC(=O)c1ccc2c3n(nc2c1)-c1ccc(C)cc1CO3 ZINC000013657625 EF Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c3n(nc2c1)-c1ccccc1CO3 ZINC000013657654 EF Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c3n(nc2c1)-c1ccccc1CO3 ZINC000013657656 EF Annotated Anodyne Cc1cc2nc3n(c2cc1C)C[C@H]1C[C@H](C(=O)NCC2CC2)N(C)[C@@H]31 ZINC000013660595 EF Annotated Anodyne Cc1cc2nc3n(c2cc1C)C[C@H]1C[C@@H](C(=O)NCC2CC2)N(C)[C@@H]31 ZINC000013660597 EF Annotated Anodyne CN1[C@@H](C(=O)NCc2ccccc2)C[C@@H]2Cn3c(nc4ccccc43)[C@@H]21 ZINC000013660610 EF Annotated Anodyne CN1[C@H](C(=O)NCc2ccccc2)C[C@@H]2Cn3c(nc4ccccc43)[C@@H]21 ZINC000013660613 EF Annotated Anodyne C=CCNC(=O)[C@H]1C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]2N1C ZINC000013660771 EF Annotated Mild C=CCNC(=O)[C@@H]1C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]2N1C ZINC000013660774 EF Annotated Mild C=C1CCN([C@H](CC(C)C)C(=O)OC)S(=O)(=O)c2ccccc21 ZINC000013661124 EF Annotated Mild C=C1CCN([C@@H](CC(C)C)C(=O)OC)S(=O)(=O)c2ccccc21 ZINC000013661126 EF Annotated Mild CCCN1CCC(=O)N(CCSc2ccc(NC(C)=O)cc2)CC1 ZINC000013661702 EF Annotated Anodyne CN1CCC(=O)N(CCSc2ccc(Br)cc2)CC1 ZINC000013661755 EF Annotated Anodyne COc1ccc(SCCN2CCN(CC(C)C)CCC2=O)cc1 ZINC000013661783 EF Annotated Anodyne NC(=O)c1ccc2c(=O)n3c(-c4cccs4)csc3nc2c1 ZINC000013662311 EF Annotated Anodyne COc1ccc(-c2nc3c(=O)[nH]c4ccc(Cl)cc4n3n2)cc1 ZINC000013677385 EF Annotated Anodyne CNC(=O)CSC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 ZINC000013677470 EF Annotated Anodyne CNC(=O)CSC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 ZINC000013677491 EF Annotated Anodyne CNC(=O)CSC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000013677517 EF Annotated Anodyne Cc1cnc2c(C(=O)NC[C@@H]3CCN4CCC[C@@H]34)cc(Cl)cn12 ZINC000013681105 EF Annotated Anodyne COc1cc(Cl)cc2c1OC[C@H](n1c(CCN)c[nH]c1=S)C2 ZINC000013681193 EF Annotated Anodyne COc1cc(Cl)c2c(c1)C[C@@H](n1c(CCN)c[nH]c1=S)CO2 ZINC000013681195 EF Annotated Anodyne NCCc1c[nH]c(=S)n1[C@H]1COc2c(cc(F)c(F)c2F)C1 ZINC000013681200 EF Annotated Anodyne CN(c1ccc([N+](=O)[O-])cc1OCC1CCCCC1)S(C)(=O)=O ZINC000013682013 EF Annotated Bother CCCCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1 ZINC000013685432 EF Annotated Anodyne C[C@@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C3CCCCN3C=C2C1=O ZINC000013687712 EF Annotated Mild C[C@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C3CCCCN3C=C2C1=O ZINC000013687718 EF Annotated Mild N=c1c2ccccc2c(-c2ccccc2)nn1Cc1cc(=O)[nH]s1 ZINC000013728905 EF Annotated Anodyne O=C1OC[C@H]2c3c(-c4noc(C5CC5)n4)ncn3-c3ccccc3N12 ZINC000013735052 EF Annotated Anodyne O=C1OC[C@@H]2c3c(-c4noc(C5CC5)n4)ncn3-c3ccccc3N12 ZINC000013735055 EF Annotated Anodyne CCc1ccc2c(c1)S(=O)(=O)c1cc(NC(C)=O)ccc1C2=O ZINC000013737657 EF Annotated Anodyne CCCc1ccc2c(c1)S(=O)(=O)c1cc(NC(C)=O)ccc1C2=O ZINC000013737658 EF Annotated Anodyne CCOC1(OCC)[C@@H]2c3ccccc3[C@@H]([n+]3cnn(C)c32)C1(C)C ZINC000013741386 EF Annotated Anodyne N/C(=N/N=C/c1c[nH]c2ccc(O)cc12)NCCCc1ccccc1 ZINC000013741839 EF Annotated Mild CCCCCN/C(N)=N/N=C/c1c[nH]c2ccc(OCOC)cc12 ZINC000013741858 EF Annotated Mild CCCCCN/C(N)=N/N=C/c1c[nH]c2ccc(OCCOC)cc12 ZINC000013741862 EF Annotated Mild O=c1[nH]c2nc3ccnc(-c4ccc(O)c([N+](=O)[O-])c4)c3cc2s1 ZINC000013741979 EF Annotated Bother CN(CCOCC/N=C(\S)Nc1cccnc1)Cc1ccccc1 ZINC000013742428 EF Annotated Mild CCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccc(=O)[nH]c3)nc21 ZINC000013744652 EF Annotated Anodyne CS(=O)(=O)Nc1cc2c(cc1Sc1cscn1)C(=O)CC2 ZINC000013744814 EF Annotated Anodyne CS(=O)(=O)Nc1cc2c(cc1Sc1cncs1)C(=O)CC2 ZINC000013744816 EF Annotated Anodyne CCN(O)C(=O)CCc1ccc2c(c1)C(=O)c1ccccc1CO2 ZINC000013745514 EF Annotated Anodyne CON(C)C(=O)CCc1ccc2c(c1)C(=O)c1ccccc1CO2 ZINC000013745522 EF Annotated Anodyne CN(C)c1ccccc1C[S@@](=O)c1nccn1-c1ccccn1 ZINC000013746054 EF Annotated Anodyne CN(C)c1ccccc1C[S@](=O)c1nccn1-c1ccccn1 ZINC000013746056 EF Annotated Anodyne CN(C)c1ccccc1C[S@@](=O)c1nccn1-c1ccncc1 ZINC000013746065 EF Annotated Anodyne CN(C)c1ccccc1C[S@](=O)c1nccn1-c1ccncc1 ZINC000013746067 EF Annotated Anodyne CN(C)c1ccccc1C[S@@](=O)c1nccn1Cc1ccccn1 ZINC000013746069 EF Annotated Anodyne CN(C)c1ccccc1C[S@](=O)c1nccn1Cc1ccccn1 ZINC000013746071 EF Annotated Anodyne Cc1ccnc(-n2ccnc2[S@](=O)Cc2ccccc2N(C)C)c1 ZINC000013746101 EF Annotated Anodyne Cc1ccnc(-n2ccnc2[S@@](=O)Cc2ccccc2N(C)C)c1 ZINC000013746103 EF Annotated Anodyne Cc1ccc(-n2ccnc2[S@](=O)Cc2ccccc2N(C)C)nc1 ZINC000013746113 EF Annotated Anodyne Cc1ccc(-n2ccnc2[S@@](=O)Cc2ccccc2N(C)C)nc1 ZINC000013746115 EF Annotated Anodyne Cc1cccc(-n2ccnc2[S@](=O)Cc2ccccc2N(C)C)n1 ZINC000013746145 EF Annotated Anodyne Cc1cccc(-n2ccnc2[S@@](=O)Cc2ccccc2N(C)C)n1 ZINC000013746147 EF Annotated Anodyne CNc1ccccc1C[S@@](=O)c1nccn1-c1ncccc1C ZINC000013746180 EF Annotated Anodyne CNc1ccccc1C[S@](=O)c1nccn1-c1ncccc1C ZINC000013746182 EF Annotated Anodyne CNc1ccccc1C[S@@](=O)c1nccn1-c1ncccc1OC ZINC000013746196 EF Annotated Anodyne CNc1ccccc1C[S@](=O)c1nccn1-c1ncccc1OC ZINC000013746198 EF Annotated Anodyne CN(C)c1ccccc1C[S@@](=O)c1nccn1-c1cccnc1 ZINC000013746249 EF Annotated Anodyne CN(C)c1ccccc1C[S@](=O)c1nccn1-c1cccnc1 ZINC000013746251 EF Annotated Anodyne CC(=O)Nc1ccccc1C[S@@](=O)c1nccn1-c1ccccn1 ZINC000013746261 EF Annotated Anodyne CC(=O)Nc1ccccc1C[S@](=O)c1nccn1-c1ccccn1 ZINC000013746263 EF Annotated Anodyne O=[S@@](Cc1ccccc1-n1ccnc1)c1nccn1-c1ccccn1 ZINC000013746276 EF Annotated Anodyne O=[S@](Cc1ccccc1-n1ccnc1)c1nccn1-c1ccccn1 ZINC000013746278 EF Annotated Anodyne O=[S@@](Cc1ccccc1-n1cccn1)c1nccn1-c1ccccn1 ZINC000013746280 EF Annotated Anodyne O=[S@](Cc1ccccc1-n1cccn1)c1nccn1-c1ccccn1 ZINC000013746282 EF Annotated Anodyne Cc1ccc2c(c1)C(=O)c1ccc(-c3nnc(C)o3)cc1S2(=O)=O ZINC000013755829 EF Annotated Anodyne O=C1CCc2cccc3c2N1Cc1c(-c2noc(C4CC4)n2)ncn1-3 ZINC000013760367 EF Annotated Anodyne O=C1OCc2cccc3c2N1Cc1c(-c2noc(C4CC4)n2)ncn1-3 ZINC000013760372 EF Annotated Anodyne CN1Cc2cccc3c2N(Cc2c(-c4noc(C5CC5)n4)ncn2-3)C1=O ZINC000013760374 EF Annotated Anodyne COc1cc(NC2=NCCc3cc(O)c(O)cc32)cc(OC)c1OC ZINC000013760856 EF Annotated Clean C[C@@H](CO/N=C/c1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O ZINC000013762949 EF Annotated Mild C[C@H](CO/N=C/c1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O ZINC000013762951 EF Annotated Mild Cc1cccc2c1/C(=C/c1ccc(N3CCN(C=O)CC3)cc1)C(=O)N2 ZINC000013780151 EF Annotated Clean CN(Cc1ccc(C#N)cc1)C(=O)N1C(=O)C[C@@H]1Cc1ccccc1 ZINC000013780501 EF Annotated Mild C=CC[C@@H]1C(=O)N(C(=O)NCc2ccncc2)[C@H]1Cc1ccccc1 ZINC000013780510 EF Annotated Mild COc1ccc(C[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)cn1 ZINC000013780616 EF Annotated Mild COc1ccc(C[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)cn1 ZINC000013780617 EF Annotated Mild CC(=O)OC[C@@H]1O[C@H](C#CCC2CCCCC2)C=C[C@@H]1OC(C)=O ZINC000013782954 EF Annotated Mild CC(=O)OC[C@H]1O[C@H](C#CCC2CCCCC2)C=C[C@@H]1OC(C)=O ZINC000013782955 EF Annotated Mild COc1cccc([C@H]2[C@@H](C)CC[C@H]3C(=O)N(C)[C@H](C(C)C)C(=O)N32)c1 ZINC000013782985 EF Annotated Anodyne COc1cccc([C@H]2[C@H](C)CC[C@H]3C(=O)N(C)[C@H](C(C)C)C(=O)N32)c1 ZINC000013782986 EF Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](C#Cc2ccc(Cl)cc2)C=C[C@@H]1OC(C)=O ZINC000013783017 EF Annotated Mild CC(=O)OC[C@H]1O[C@H](C#Cc2ccc(Cl)cc2)C=C[C@@H]1OC(C)=O ZINC000013783018 EF Annotated Mild CC(=O)OC[C@@H]1O[C@H](C#Cc2ccccc2Cl)C=C[C@@H]1OC(C)=O ZINC000013783019 EF Annotated Mild CC(=O)OC[C@H]1O[C@H](C#Cc2ccccc2Cl)C=C[C@@H]1OC(C)=O ZINC000013783020 EF Annotated Mild O=Cc1ccc(O[C@H]2C=C[C@H](C#Cc3ccccc3)O[C@@H]2CO)cc1 ZINC000013783154 EF Annotated Mild O=Cc1ccc(O[C@H]2C=C[C@@H](C#Cc3ccccc3)O[C@@H]2CO)cc1 ZINC000013783155 EF Annotated Mild CC(C)(C)c1cc(-c2nnc(N=C(N)N)o2)cc(C(C)(C)C)c1O ZINC000013796347 EF Annotated Mild Cc1onc2c(=O)n(CCCC(=O)O)nc(-c3ccc(Cl)cc3)c12 ZINC000013797621 EF Annotated Anodyne Fc1cccc(C#CCSc2nsnc2C23CN4C[C@H]2[C@H]3C4)c1 ZINC000013798024 EF Annotated Mild Fc1ccc(C#CCSc2nsnc2C23CN4C[C@H]2[C@H]3C4)cc1 ZINC000013798029 EF Annotated Mild CCOC(=O)CCCCn1ccc2cc(OC)c(OC)cc2c1=O ZINC000013800905 EF Annotated Anodyne CCOC(=O)CCCn1cc(F)c2cc(OC)c(OC)cc2c1=O ZINC000013800935 EF Annotated Anodyne O=C(NC1C2CC3CC(C2)CC1C3)C(O)(C(F)(F)F)C(F)(F)F ZINC000013804031 EF Annotated Anodyne C[C@@H](/N=c1\c(O)c(O)\c1=N/c1ccc(-n2ccnc2)cc1)C(C)(C)C ZINC000013806411 EF Annotated Anodyne C[C@H](/N=c1\c(O)c(O)\c1=N/c1ccc(-n2ccnc2)cc1)C(C)(C)C ZINC000013806413 EF Annotated Anodyne COc1ccc(CN[C@H]2C[C@@H]3CCN4C(=O)CCC[C@H](C2)[C@H]34)cc1 ZINC000013813343 EF Annotated Anodyne COc1ccc(CN[C@@H]2C[C@@H]3CCN4C(=O)CCC[C@H](C2)[C@H]34)cc1 ZINC000013813347 EF Annotated Anodyne COc1cc([C@@H]2CC(=O)Oc3cc(O)ccc32)cc(OC)c1OC ZINC000013813858 EF Annotated Anodyne COc1cc([C@H]2CC(=O)Oc3cc(O)ccc32)cc(OC)c1OC ZINC000013813861 EF Annotated Anodyne C[C@@H]1C(c2ccccc2)=NN(c2ccccc2)[C@H]1C(=O)N1CCOC1=O ZINC000013814083 EF Annotated Anodyne CCOC(=O)[C@@H]1Oc2ccccc2C(c2ccoc2)=C1C(=O)OC ZINC000013814303 EF Annotated Anodyne CCOC(=O)[C@H]1Oc2ccccc2C(c2ccoc2)=C1C(=O)OC ZINC000013814306 EF Annotated Anodyne CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(c3ccsc3)OC=C2C1=O ZINC000013815673 EF Annotated Mild CCC(=O)O[C@]1(C)C(=O)C=C2C=C(c3ccsc3)OC=C2C1=O ZINC000013815677 EF Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccco1 ZINC000013816515 EF Annotated Anodyne COc1ccc(-c2cc(NC[C@@H](O)CO)c3ccccc3n2)cc1C ZINC000013818405 EF Annotated Anodyne COc1ccc(-c2cc(NC[C@H](O)CO)c3ccccc3n2)cc1C ZINC000013818407 EF Annotated Anodyne CCCS(=O)(=O)N1CCC[C@@H]2CN3CCc4ccccc4[C@@H]3C[C@@H]21 ZINC000013820207 EF Annotated Anodyne CC(C)CS(=O)(=O)N(C)[C@@H]1CCN2CCc3ccccc3[C@@H]2C1 ZINC000013820290 EF Annotated Anodyne CC(=O)O[C@H](C)n1c([S@@](=O)Cc2ccccn2)nc2ccccc21 ZINC000013820744 EF Annotated Anodyne CC(=O)O[C@@H](C)n1c([S@@](=O)Cc2ccccn2)nc2ccccc21 ZINC000013820746 EF Annotated Anodyne CC(=O)O[C@H](C)n1c([S@](=O)Cc2ccccn2)nc2ccccc21 ZINC000013820748 EF Annotated Anodyne CC(=O)O[C@@H](C)n1c([S@](=O)Cc2ccccn2)nc2ccccc21 ZINC000013820749 EF Annotated Anodyne CCc1c(OC)nc2nc(-c3noc(C(F)(F)F)n3)cn2c1C ZINC000013822375 EF Annotated Anodyne CCc1c(OC)nc2nc(-c3nnc(C(F)(F)F)o3)cn2c1C ZINC000013822395 EF Annotated Anodyne CCOC(=O)c1csc(-c2cn3c(C)c(CC)c(OC)nc3n2)n1 ZINC000013822413 EF Annotated Anodyne CN(C)C(=O)Cn1c(-c2ccc(Br)o2)nc2cccnc21 ZINC000013824799 EF Annotated Anodyne CN(C)C(=O)Cn1c(Cc2ccc(Cl)cc2)nc2cccnc21 ZINC000013824807 EF Annotated Anodyne C[C@@H]1C(=O)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000013828831 EF Annotated Bother CC(=O)N(C)c1ccc2c(c1)C(N1CCCC1=O)=CC(C)(C)C2=O ZINC000013832170 EF Annotated Anodyne CCN1CCC[C@@H]1CN1COc2ccc(Br)cc2C1=O ZINC000013833672 EF Annotated Anodyne CCN1CCC[C@H]1CN1COc2ccc(Br)cc2C1=O ZINC000013833673 EF Annotated Anodyne N#C/C(=C\c1cc(O)c(O)c(CSCc2ccccc2)c1)C(N)=O ZINC000013833839 EF Annotated Reactive C[C@@H](N)Cc1c2c(c(Br)c3c1OCCC3)OCCC2 ZINC000013838863 EF Annotated Anodyne C[C@H](N)Cc1c2c(c(Br)c3c1OCCC3)OCCC2 ZINC000013838866 EF Annotated Anodyne Cn1c(-c2ccccc2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 ZINC000013861445 EF Annotated Mild CCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000013864519 EF Annotated Anodyne Cc1[nH]nc(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000013864588 EF Annotated Clean C/N=c1\scc(-c2cccs2)n1/N=C/c1ccc(O)c(O)c1O ZINC000013865389 EF Annotated Mild CCOC(=O)C(/C=N/c1cc(C)nn1-c1ccccc1)C(=O)OCC ZINC000013879172 EF Annotated Mild CC1=C(C)C[C@@H]2[C@@H](C1)C(=O)N(CCCCc1ccncc1)S2(=O)=O ZINC000013886876 EF Annotated Anodyne CC1=C(C)C[C@H]2[C@@H](C1)C(=O)N(CCCCc1ccncc1)S2(=O)=O ZINC000013886877 EF Annotated Anodyne CC1=C(C)C[C@@H]2[C@H](C1)C(=O)N(CCCCc1ccncc1)S2(=O)=O ZINC000013886878 EF Annotated Anodyne O=[S@]1NC(Cc2ccc3c(Br)cccc3c2)=NO1 ZINC000013889112 EF Annotated Mild O=[S@]1NC(Cc2ccc3ccccc3c2Br)=NO1 ZINC000013889118 EF Annotated Mild CC[S@](=O)CCn1c(=N)sc2cc(OC(F)(F)F)ccc21 ZINC000013889303 EF Annotated Anodyne C[S@](=O)CCCn1c(=N)sc2cc(OC(F)(F)F)ccc21 ZINC000013894808 EF Annotated Anodyne C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2CN2CCC[C@H]2C(=O)O)[C@H]2C(=C)CC[C@@H]12 ZINC000013906700 EF Annotated Mild in-vitro biogenic O=C(O)CC1(CNC(=O)O[C@H]2CCCCC(=O)O2)CCCCC1 ZINC000013974743 EF Annotated Anodyne C=C(C)CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c(OC)ccc(c23)C1 ZINC000013980982 EF Annotated Mild in-vivo [O-][n+]1cccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1 ZINC000013981600 EF Annotated Anodyne O=c1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c[nH]1 ZINC000013981602 EF Annotated Anodyne CC(C)(Sc1nc(N)nc2[nH]cnc12)c1ccc([N+](=O)[O-])cc1 ZINC000013986679 EF Annotated Bother O=C(CSC1=NN/C(=C2\C=Nc3ccccc32)O1)N1CCCCC1 ZINC000135822971 EF Annotated Anodyne C=C[C@]1(C)CC[C@@H]2C(=C[C@@H]3OC(=O)[C@]4(C)[C@H]3[C@]23CC[C@]4(O)OC3)C1 ZINC000135866673 EF Annotated Mild CCC[C@H](C)NC(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)O1 ZINC000135925663 EF Annotated Anodyne C[C@@]1(OCc2ccccc2)OCc2c1[n+](=O)c1ccccc1n2O ZINC000135938952 EF Annotated Anodyne C[C@]1(OCc2ccccc2)OCc2c1[n+](=O)c1ccccc1n2O ZINC000135938987 EF Annotated Anodyne C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)[C@@H](C(=C)C)C2=C[C@](C)(C(=O)O2)[C@H]1O ZINC000135945668 EF Annotated Mild COc1ccc(C(=O)CC2=NC[C@@H]3c4ccccc4CCN3C2=O)cc1 ZINC000136009306 EF Annotated Anodyne COc1ccc(C(=O)CC2=NC[C@H]3c4ccccc4CCN3C2=O)cc1 ZINC000136009349 EF Annotated Anodyne O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1C[C@@H]1OCCc2ccccc21 ZINC000136069231 EF Annotated Anodyne CCC(CC)NC(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)O1 ZINC000136113952 EF Annotated Anodyne CC[C@H](C)NC(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)O1 ZINC000136137623 EF Annotated Anodyne CC(C)[C@H](C)NC(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)O1 ZINC000136162106 EF Annotated Anodyne CC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 ZINC000136271405 EF Annotated Reactive C=C1[C@H]2[C@@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@]2(C)[C@@H]2O[C@@H]2[C@@H]1OC(=O)/C(C)=C\C ZINC000136296557 EF Annotated Mild C=C1[C@H]2[C@@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@]2(C)[C@@H]2O[C@@H]2[C@@H]1OC(=O)CC(C)C ZINC000136296607 EF Annotated Mild C=C1[C@H]2[C@@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@]2(C)[C@@H]2O[C@@H]2[C@@H]1OC(=O)C=C(C)C ZINC000136300130 EF Annotated Mild O=C1C=C2S[C@H]3C[C@@]24C[C@@H]1N1CCc2c[nH]c5c(O)c(c4c1c25)N3 ZINC000136402114 EF Annotated Mild C=C1C(=O)O[C@H]2C[C@@H]1C=C1C(=O)C(O)=C3C(C)(C)CCC[C@@]3(C=O)[C@@H]12 ZINC000136420863 EF Annotated Mild CC(=O)C1=C(O)N2[C@H](C1=O)[C@@H]1c3c[nH]c4cccc(c34)C[C@H]1C2(C)C ZINC000136426154 EF Annotated Mild C[C@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)OCc1ccccc1)C(=O)N2 ZINC000136445036 EF Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccccc1Br ZINC000136445913 EF Annotated Anodyne Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)cc1 ZINC000136460629 EF Annotated Anodyne CN1CC[C@@]2([C@]34CCN[C@H]3Nc3ccccc34)c3ccccc3N[C@@H]12 ZINC000136515029 EF Annotated Anodyne COC(=O)c1c2cc[n+](CCN)cc2c(C)c2c1[nH]c1ccccc12 ZINC000136541384 EF Annotated Bother CC1=C[C@]2(O)C(=O)[C@H](C)C[C@H]3[C@@H](CC[C@@](C)(O)/C=C/2C1=O)C3(C)C ZINC000136580582 EF Annotated Mild CCC[C@@H](C)NC(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)O1 ZINC000136677089 EF Annotated Anodyne Cc1ccc2c(c1)[n+](=O)c(C(=O)OCc1ccccc1)c(C)n2O ZINC000136700267 EF Annotated Anodyne CC1=C2[C@@H](C[C@@H]3[C@]4(CC[C@@H]5C(C)(C)C=CC(=O)[C@@]35C)O[C@H]24)OC1=O ZINC000136707011 EF Annotated Mild Oc1cccc2c1C1(Oc3cccc4cccc(c34)O1)[C@@H]1O[C@@H]1[C@@H]2O ZINC000136723370 EF Annotated Anodyne NC(=O)c1ccc[n+](CCCCCCN2C=CC(=CN=O)C=C2)c1 ZINC000136730223 EF Annotated Anodyne CCCCCCCCCCCC[C@H](O)[C@@]1(O)C(=O)C[C@H](OC)[C@H]1O ZINC000136731547 EF Annotated Mild CC[C@@H](C)NC(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)O1 ZINC000136732790 EF Annotated Anodyne CC(C)[C@@H](C)NC(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)O1 ZINC000136747375 EF Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](O)[C@H]1O[C@H]1CCCCO1 ZINC000136764620 EF Annotated Anodyne NC(=O)[C@H]1C[C@@H](c2coc3ccccc3c2=O)N(c2ccccc2)O1 ZINC000136826326 EF Annotated Anodyne CC[C@H](O)[C@@H]1O[C@](C)(C[C@@H](CC)[C@H](O)CC(=O)OC)C[C@H]1CC ZINC000136952979 EF Annotated Anodyne CC(C)C1=CC(=O)C2=C(CC[C@@H]3[C@]2(C)CC[C@H](O)[C@]3(C)CO)C1=O ZINC000136955241 EF Annotated Mild CC(C)=CC[C@@H]1C(=O)[C@H](C(=O)C(C)C)C(=O)[C@@](O)(CC=C(C)C)C1=O ZINC000136983728 EF Annotated Anodyne C=CCc1c(C(=O)OC)[n+](=O)c2cc(Cl)c(Cl)cc2n1O ZINC000137261344 EF Annotated Anodyne COC(=O)c1c(Cc2ccccc2)n(O)c2cc(C)c(C)cc2[n+]1=O ZINC000137261403 EF Annotated Anodyne COC(=O)c1c(Cc2ccccc2)n(O)c2ccc(Cl)cc2[n+]1=O ZINC000137261655 EF Annotated Anodyne CCC/N=c1/c(NC(=O)NCCCOC)c(O)oc2ccccc12 ZINC000137422573 EF Annotated Anodyne CN(C)CCc1cn2c3c(cccc13)-c1ccccc1S2(=O)=O ZINC000137423709 EF Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CCC(C)=C1[C@@H]3O[C@@](C)([C@H]3OC(=O)[C@H](C)CC)[C@@H]12 ZINC000137466570 EF Annotated Mild CC(C)=C/C=C/[C@]1(CO)OC[C@@H]2[C@@H]1CC[C@@]1(C)C[C@]2(O)CC[C@@H]1O ZINC000137469707 EF Annotated Anodyne CC(C)C1=CC(=O)[C@@]2(C)C(=O)C[C@@]3(C)C[C@@H](O)[C@]4(C)O[C@@H]4C[C@@H]3[C@@H]12 ZINC000137583768 EF Annotated Mild CC[C@@H](C)/C=C(\C)C(=O)C[C@@]1(O)CC(=O)c2c(O)cc(O)cc2C1 ZINC000137671647 EF Annotated Mild CCCCN1C(=O)NC(=O)/C(=C/N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)C1=O ZINC000137771654 EF Annotated Clean O=C1[C@@H]2[C@@H](C(=O)N1CCO)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000137840113 EF Annotated Anodyne N=C1ON=C(N)[C@@H]1[C@@H](CC(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000137853893 EF Annotated Anodyne N=C1ON=C(N)[C@@H]1[C@H](CC(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000137854007 EF Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@H]23)[C@@]12CC(=O)[C@@]1(C=COC1)O2 ZINC000137951751 EF Annotated Anodyne CC(/C=C/[C@H]1[C@](C)(O)[C@@H](O)[C@H](O)[C@H]2C(C)(C)CCC[C@@]21C)=C\C=O ZINC000137953541 EF Annotated Reactive CC(=C/C=O)/C=C/[C@H]1[C@](C)(O)[C@@H](O)[C@H](O)[C@H]2C(C)(C)CCC[C@@]21C ZINC000138159912 EF Annotated Reactive Fc1ccc(Nc2ccc3c(N4CCOCC4)nncc3n2)c(F)c1 ZINC000138228652 EF Annotated Anodyne O=C1C=CC=C/C1=C\NC(N/C=C1\C=CC=CC1=O)c1ccccc1O ZINC000138252570 EF Annotated Mild CCCCC/C=C\[C@H]1CC(=O)NCCCN(C(C)=O)CCCCN1 ZINC000138284321 EF Annotated Anodyne CCOC(=O)c1cc[n+](C/C=C/CN2C=CC(=CN=O)C=C2)cc1 ZINC000138312747 EF Annotated Anodyne O=NC=C1C=CN(C/C=C/C[n+]2ccc(SCC(=O)O)cc2)C=C1 ZINC000138312992 EF Annotated Anodyne O=c1c2c3c(sc2[nH]c(=S)n1CCCn1ccnc1)CCC3 ZINC000138408942 EF Annotated Anodyne Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000138549442 EF Annotated Anodyne CC1=C2C=C3[C@@H](O)C[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@@H]3C[C@H]2OC1=O ZINC000138562095 EF Annotated Anodyne N#C[C@H](/N=N/c1ccc(S(N)(=O)=O)cc1)c1nc2ccccc2[nH]1 ZINC000138752899 EF Annotated Mild C#C/C=C\CCCC/C=C\C#CC#CCCCC#CC#C[C@H](O)CO ZINC000138756604 EF Annotated Mild CC(C)=CCC(=O)[C@]1(O)C(=O)[C@@H](C(=O)C(C)C)C(=O)[C@@H]1CC=C(C)C ZINC000138818766 EF Annotated Anodyne CCOc1cc([S@](C)=O)cc2c(=O)c3cc(C(=O)O)ccc3oc12 ZINC000139015553 EF Annotated Bother CCOc1cc([S@@](C)=O)cc2c(=O)c3cc(C(=O)O)ccc3oc12 ZINC000139015664 EF Annotated Bother CC1(C)O[C@@H]([C@@](C)(O)/C=C/Br)C[C@H]1Br ZINC000139046684 EF Annotated Reactive C=C(Cl)Cn1c(=O)n(-c2ccc3c(c2)OCO3)c2ncccc21 ZINC000139091530 EF Annotated Mild C[C@H]1C[C@@H]2OC(=O)[C@@]3(O)[C@@H](O)CC[C@H]([C@@]23C)[C@]1(C)CCc1ccoc1 ZINC000139092164 EF Annotated Anodyne C[C@H]1OC(=O)/C(=C/CCCCCCCCC/C=C/[C@H](O)CO)[C@@H]1O ZINC000139093541 EF Annotated Anodyne C[C@H]1OC(=O)/C(=C/CCCCCCCCC[C@@H](O)/C=C/CO)[C@@H]1O ZINC000139094121 EF Annotated Anodyne COc1c(C)c(O)cc2c1C(=O)[C@H](Cc1ccc3c(c1)OCO3)CO2 ZINC000139118910 EF Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@H]2CC[C@H](O)[C@H](C)[C@@]12C ZINC000139163893 EF Annotated Anodyne CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]2C/C=C/CCC[C@@]12O ZINC000139241152 EF Annotated Anodyne Cc1c(C(=O)NC(C)(C)C)[n+](=O)c2cc(Cl)c(Cl)cc2n1O ZINC000139305954 EF Annotated Anodyne COc1ccc2c(c1)n(O)c(C#N)c(-c1ccc(Cl)cc1)[n+]2=O ZINC000139307886 EF Annotated Mild COc1ccc(-c2c(C#N)n(O)c3cc(Cl)ccc3[n+]2=O)cc1 ZINC000139308771 EF Annotated Mild C=CCOC(=O)c1c(C)n(O)c2cc(Cl)c(Cl)cc2[n+]1=O ZINC000139314804 EF Annotated Mild Cc1c(C(=O)OCc2ccccc2)[n+](=O)c2cc(F)c(F)cc2n1O ZINC000139345048 EF Annotated Anodyne C=C1CC[C@@H]2C(=C)C(=O)O[C@H]2/C=C(/C)C[C@@H]2C=C(CC[C@H]1O)C(=O)O2 ZINC000139407561 EF Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1C[C@H]1O[C@]1(C=O)CC/C=C(\C)CC/C=C(\C)[C@H]2O ZINC000139467447 EF Annotated Mild COc1cc(/C=C/C(=O)OCCc2ccc(O)c(O)c2)ccc1O ZINC000139603628 EF Annotated Clean CS(=O)(=O)c1ccc2nccc(Nc3ccc4[nH]nnc4c3)c2c1 ZINC000139679007 EF Annotated Anodyne O=N/C=C1\C=CC=CN1COCCOCN1C=CC=C/C1=C\N=O ZINC000139699615 EF Annotated Anodyne COc1nc(Cl)cc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1 ZINC000139709039 EF Annotated Anodyne CSc1ccnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1 ZINC000139785566 EF Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CNNC(C)(C)C)[C@@H]2CC1 ZINC000139827153 EF Annotated Anodyne C[C@H]1CC[C@@H]2[C@@H](C)C[C@H]3[C@@H]4C(C)(C)C(=O)C(=O)[C@]4(C)C(=O)[C@]32C1=O ZINC000139868680 EF Annotated Clean CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO)[C@]13C(=O)O ZINC000139895488 EF Annotated Mild C[C@]12CC[C@H]3[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H](O)[C@]4(O)C#N)[C@@H]1CCC(=O)O2 ZINC000139906568 EF Annotated Reactive C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@](O)(C#N)[C@H](O)CC[C@]34C)[C@@H]1CCC(=O)O2 ZINC000139906691 EF Annotated Reactive CCCCCCC[C@H]1O[C@@H]2OC(=O)N(C(=O)CCl)[C@@H]2CC1=O ZINC000014299789 EF Annotated Reactive COc1ccc(CC(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000014359296 EF Annotated Anodyne COc1ccc(CC(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000014359298 EF Annotated Anodyne C=C1COC(=O)[C@@]12C[C@@]1(C)[C@@H]([C@@H]2O)[C@H](OC(=O)/C(C)=C/C)CC[C@H]1C ZINC000014407496 EF Annotated Mild in-man endogenous C=C1COC(=O)[C@@]12C[C@@]1(C)[C@H]([C@@H](OC(=O)/C(C)=C/C)CC[C@H]1C)[C@@H]2O ZINC000014407500 EF Annotated Mild in-man endogenous C=C1COC(=O)[C@@]12C[C@]1(C)[C@@H](C)CC[C@@H](OC(=O)/C(C)=C/C)[C@@H]1[C@@H]2O ZINC000014407504 EF Annotated Mild in-man endogenous C=C1COC(=O)[C@@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)/C(C)=C/C)[C@@H]1[C@@H]2O ZINC000014407507 EF Annotated Mild in-man endogenous C[C@@]12CC=C3OC(=O)C=C3[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 ZINC000014407790 EF Annotated Anodyne C[C@@]12CCC[C@@]3(OC1=O)[C@H]2C[C@H](O)[C@]12C[C@H](CC[C@]13C)[C@](C)(O)C2 ZINC000014407806 EF Annotated Anodyne C[C@]1(O)C[C@@]23C[C@@H]1CC[C@@]2(C)[C@]12CCC[C@](C)(C(=O)O1)[C@@H]2C[C@@H]3O ZINC000014407809 EF Annotated Anodyne C=C1C(=O)[C@@]23CC[C@H]4[C@@]5(CCC[C@@]4(C)C(=O)O5)[C@@]2(C)CC[C@]1(O)C3 ZINC000014408912 EF Annotated Mild in-vitro biogenic CCCCCCC(=O)CCC(=O)N(C)CCc1cncn1C(C)=O ZINC000014439749 EF Annotated Anodyne O=C(O)C[C@]1(O)c2ccccc2-[n+]2ccc3c([nH]c4ccccc43)c21 ZINC000014440768 EF Annotated Anodyne C[C@@H]1CC[C@]23COC(=O)C2=C[C@@H](O)C[C@@H]3[C@@]1(C)CCC1=CC(=O)OC1 ZINC000014446226 EF Annotated Anodyne C[C@@H]1CC[C@@]23COC(=O)C2=C[C@@H](O)C[C@@H]3[C@@]1(C)CCC1=CCOC1=O ZINC000014446254 EF Annotated Anodyne C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC[C@@H]1COC(=O)C1 ZINC000014446286 EF Annotated Anodyne biogenic C[C@@H]1C(=O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC[C@@H]1COC(=O)C1 ZINC000014446290 EF Annotated Anodyne biogenic C[C@@H]1[C@@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCC1=CCOC1=O ZINC000014446298 EF Annotated Anodyne C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCC1=CCOC1=O ZINC000014446302 EF Annotated Anodyne C[C@@H]1C(=O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCC1=CCOC1=O ZINC000014446306 EF Annotated Anodyne C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)C[C@@H](O)C1=CC(=O)OC1 ZINC000014446322 EF Annotated Anodyne C[C@@H]1CC[C@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)C[C@@H](O)C1=CC(=O)OC1 ZINC000014446326 EF Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(C=C[C@H]3[C@]4(CCC[C@]3(C)C(=O)O4)C2)C1=O ZINC000014448885 EF Annotated Mild CC(C)C1=C(O)C(=O)C2=C(C=C[C@@H]3[C@]4(CCC[C@]3(C)C(=O)O4)C2)C1=O ZINC000014448887 EF Annotated Mild CC(C)C1=Cc2c(cc3c(cc2=O)C(C)(C)C(=O)C(O)=C3)C(=O)C1=O ZINC000014455559 EF Annotated Mild COC(=O)[C@]12O[C@H]1C(=O)[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]1(C)C2=O ZINC000014493952 EF 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)=C21 ZINC000014498929 EF Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)C(C)=C12 ZINC000014498930 EF Annotated Mild CC(C)=CC(=O)O[C@@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)C(C)=C21 ZINC000014498933 EF Annotated Mild CC(C)=CC(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)C(C)=C12 ZINC000014498936 EF Annotated Mild CC1(C)C[C@@H](O)Oc2cc(O)c3c(=O)c4cccc(O)c4oc3c21 ZINC000140039216 EF Annotated Bother COc1cccc2c(=O)c3c(O)cc(OC[C@@]4(C)CO4)cc3oc12 ZINC000140052124 EF Annotated Anodyne COc1cccc2c(=O)c3c(O)cc(OC[C@]4(C)CO4)cc3oc12 ZINC000140052256 EF Annotated Anodyne c1ccc(-c2ccc3nnc(Cn4cnc5cnccc54)n3n2)cc1 ZINC000140064420 EF Annotated Anodyne C=C1[C@@H](OC(C)=O)C[C@@H]2[C@H](OC(C)=O)[C@]3(C)CCC(C)(C)[C@@H]3[C@@]12O ZINC000140204782 EF Annotated Mild C=C1C[C@@H](O)/C=C(\C)CC[C@H]2/C(=C\C=C\C(C)(C)O)CO[C@H](O)[C@@H]12 ZINC000140246651 EF Annotated Mild C[C@@H](O)CNCC(=O)N1CCc2ccccc2[C@@H]1C1CCCCC1 ZINC000140309978 EF Annotated Anodyne C=C1CC[C@@H](O)[C@@]2(C)CC[C@]3(O)[C@](C)(CC[C@@]3(O)C(C)C)C[C@]12O ZINC000140388868 EF Annotated Mild C=C(C)[C@@H]1CCC2=C[C@H](C[C@@](C)(O)CC(=O)/C=C(/C)C(=O)C1)OC2=O ZINC000140399207 EF Annotated Mild NC(=O)c1cc[n+](-c2ccc(N3C=CC(=CN=O)C=C3)s2)cc1 ZINC000140400807 EF Annotated Anodyne CCc1ccc2c(c1)[C@@]1(N=C(N)N(C)O1)C1(CCC(OC)CC1)C2 ZINC000140441582 EF Annotated Anodyne CCc1ccc2c(c1)[C@]1(N=C(N)N(C)O1)C1(CCC(OC)CC1)C2 ZINC000140441737 EF Annotated Anodyne COC(=O)/C=C(\OC)[C@H](C)[C@H](/C=C/c1csc(C(C)=O)n1)OC ZINC000140505713 EF Annotated Anodyne CC(C)=CCC[C@@H]1COC(=O)[C@H]2/C(C=O)=C\C[C@@H]3O[C@@]3(C)C[C@H](O)[C@H]12 ZINC000140590349 EF Annotated Reactive CC1(C)C(=O)[C@H](O)C[C@@]2(C)[C@H]1CC[C@@]1(CO)c3cocc3CC[C@@H]12 ZINC000140620644 EF Annotated Anodyne CC1=C2C(=O)N[C@H]1/C=C/[C@@](C)(O)CC[C@H]1[C@@H](C[C@@H](C)C2=O)C1(C)C ZINC000140627899 EF Annotated Mild NC(=O)c1cc(NC(O)=C2N=NN=N2)cc(NC(O)=C2N=NN=N2)c1 ZINC000140908449 EF Annotated Anodyne Cc1ccc(CNC(=O)c2c(C)n(O)c3ccc(C)cc3[n+]2=O)cc1 ZINC000140982154 EF Annotated Anodyne COC1CCC2(CC1)Cc1ccc(Cl)cc1[C@]21N=C(N)N(C)O1 ZINC000141077777 EF Annotated Anodyne COC1CCC2(CC1)Cc1ccc(Cl)cc1[C@@]21N=C(N)N(C)O1 ZINC000141077976 EF Annotated Anodyne C/C=C/c1cc(=O)c([C@@H]2OC(=O)c3cc(OC)cc(OC)c32)c[nH]1 ZINC000141161389 EF Annotated Anodyne C=C1C=C[C@@H](OC(=O)/C(C)=C\C)[C@@]2(C)CC[C@@H]3[C@@H](OC(=O)[C@]3(C)O)[C@H]12 ZINC000141215700 EF Annotated Mild COCCN(CCOC)c1ccc2nc3ccc(=O)cc-3sc2c1 ZINC000141347721 EF Annotated Anodyne in-vivo CC(C)C1=C(O)C2=C(C[C@]34CCC[C@](C)(C(=O)O3)[C@H]4C=C2)C(=O)C1=O ZINC000141407161 EF Annotated Mild CC(=O)[C@@]1(C)CC[C@H]2C[C@@](C)(C(=O)CO)CC[C@]2(C)[C@H]1CC(=O)O ZINC000141467474 EF Annotated Anodyne Cn1cc(C(=O)c2ccc(F)cc2)cc1/C=C/C(=O)/C=C(\O)C(=O)O ZINC000141582253 EF Annotated Mild Nc1ccnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)n1 ZINC000141755754 EF Annotated Anodyne CCOC(=O)c1cc(C)sc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000141917465 EF Annotated Anodyne O=C(CCCCCCc1nc(-c2cccc([N+](=O)[O-])c2)no1)NO ZINC000141949917 EF Annotated Anodyne C[C@@H](Oc1nc(-c2ccccn2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000141962935 EF Annotated Anodyne C=C[C@@]1(C)C[C@@H](O)[C@@H]2[C@](C)(CC[C@@H]3C(C)(C)[C@@H](O)C(=O)C[C@]32C)O1 ZINC000141987635 EF Annotated Mild C/C=C1\CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@H]23)Nc1cc(O)ccc14 ZINC000142004561 EF Annotated Anodyne COC(=O)c1ccc(OCc2c(-c3cccnc3)noc2C)nc1 ZINC000142022588 EF Annotated Anodyne CCn1ccc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 ZINC000142077501 EF Annotated Anodyne CCn1ccc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 ZINC000142077686 EF Annotated Anodyne CC(=O)c1ccc2c(c1)CC[C@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C ZINC000142109899 EF Annotated Mild O=C(CNc1cccc(O)c1)Nc1nc2ccc3[nH]ncc3c2s1 ZINC000142263619 EF Annotated Anodyne Nc1cccc(NCC(=O)Nc2nc3ccc4[nH]ncc4c3s2)c1 ZINC000142271692 EF Annotated Anodyne CC(C)NC(=O)c1ccc(OCc2conc2-c2ccccn2)nc1 ZINC000142316445 EF Annotated Anodyne CC(C)=CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)O ZINC000142342554 EF Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccc3c(c2)OCCO3)cc1 ZINC000142345609 EF Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccc3c(c2)OCCO3)cc1 ZINC000142345813 EF Annotated Mild COC(=O)c1ccc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)o1 ZINC000142347324 EF Annotated Mild COC(=O)c1ccc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)o1 ZINC000142347532 EF Annotated Mild O=C(Nc1cc(O)c(O)cc1Br)c1ccc(O)c(O)c1 ZINC000142491135 EF Annotated Anodyne CC(C)C1=C[C@]2(O)CC[C@H]3C(C)(C)CCC[C@]3(O)[C@@H](O)C2=CC1=O ZINC000142492481 EF Annotated Mild CC(C)Nc1ncnc2c1ncn2C[C@@H]1C[C@H](CO)c2ccccc21 ZINC000142508293 EF Annotated Anodyne CC(C)OC[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2ccccc2F)CO1 ZINC000142525003 EF Annotated Anodyne CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@]12C[C@H]1CCN2 ZINC000142605537 EF Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C2(O)COC2)cn1 ZINC000142774768 EF Annotated Anodyne CCn1ncc2cc(-c3cc(=O)n4ncc(-c5ncco5)c4[nH]3)ccc21 ZINC000142978811 EF Annotated Anodyne Cc1cc(C)c(CNC(=O)c2cccc3c2cnn3C(C)C)c(=O)[nH]1 ZINC000142990739 EF Annotated Anodyne CCn1ncc2ccc(-c3cc(=O)n4ncc(-c5ncco5)c4[nH]3)cc21 ZINC000143014426 EF Annotated Anodyne Cc1ccc(Cl)cc1-c1cc(-c2cc(N)ncn2)[nH]c1C(N)=O ZINC000143041896 EF Annotated Anodyne Cc1ccc(Cl)cc1-n1cc(-c2cc(N)ncn2)cc1C(N)=O ZINC000143043784 EF Annotated Anodyne Cc1nc2c(N3CCOCC3)nccn2c1-c1coc(CC(C)C)n1 ZINC000143052330 EF Annotated Anodyne COC(=O)c1ccc(OCc2c(-c3ccccn3)noc2C)nc1 ZINC000143147328 EF Annotated Anodyne Cc1noc(-c2cnn3c(=O)cc(-c4ccc(Cl)cc4)[nH]c23)n1 ZINC000143166686 EF Annotated Anodyne Cc1cnc(-c2cnn3c(=O)cc(-c4ccc5c(cnn5C)c4)[nH]c23)o1 ZINC000143173792 EF Annotated Anodyne Cc1noc(-c2cnn3c(=O)cc(-c4ccc5occc5c4)[nH]c23)n1 ZINC000143230758 EF Annotated Anodyne C[C@@H](N)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1 ZINC000143248224 EF Annotated Anodyne CC(C)Nc1nc(-c2ccc([C@@H](C)N)cc2)cc2ncn(C)c(=O)c12 ZINC000143263087 EF Annotated Anodyne Cn1nnc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)n1 ZINC000143268411 EF Annotated Anodyne Cn1nnc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)n1 ZINC000143268630 EF Annotated Anodyne CNC(=O)COc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143270154 EF Annotated Anodyne CNC(=O)COc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143270363 EF Annotated Anodyne Cc1noc2ccc(-c3cc(=O)n4ncc(-c5ncco5)c4[nH]3)cc12 ZINC000143300801 EF Annotated Anodyne O[C@]1(C(F)(F)F)c2ccccc2-c2ccc(N3CCNCC3)cc21 ZINC000143341655 EF Annotated Anodyne O[C@@]1(C(F)(F)F)c2ccccc2-c2ccc(N3CCNCC3)cc21 ZINC000143341861 EF Annotated Anodyne C[C@H](N)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1 ZINC000143434336 EF Annotated Anodyne O=C(O)[C@@H]1CCc2c([nH]c3ccc(I)cc23)C1 ZINC000143498596 EF Annotated Anodyne CO[C@@H]1C(=O)OC(=O)C(C)(C)c2cc(O)c3cc(C)c(O)cc3c21 ZINC000143510102 EF Annotated Reactive COc1ccc(-c2cc(=O)n3nc(Cc4ccccc4)nc3[nH]2)cc1 ZINC000143577728 EF Annotated Anodyne COc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3 ZINC000143593762 EF Annotated Anodyne O=C(O)c1cc2c(c3c1c([N+](=O)[O-])cc1c(O)cc(O)cc13)OCO2 ZINC000143616623 EF Annotated Bother Cc1coc(-c2cnn3c(=O)cc(-c4ccc5[nH]ncc5c4)[nH]c23)n1 ZINC000143640297 EF Annotated Anodyne O=C1N(c2ccnc(Cl)c2)CCN1c1cnccc1C1(O)CCC1 ZINC000143929102 EF Annotated Anodyne C=C(Cc1ccccc1)[C@@H](O)[C@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C ZINC000143966481 EF Annotated Anodyne CC(C)C1=CC(=O)C2=C(CC[C@H]3[C@@](C)(C(=O)O)C[C@@H](O)C[C@]23C)C1=O ZINC000144170669 EF Annotated Mild CC1=C2C(=O)[C@]3(O)CC[C@@H]4[C@@]5(C)C[C@H]5CC[C@@]4(C)[C@@H]3C[C@H]2OC1=O ZINC000144336163 EF Annotated Mild C/C=C1/CO[C@@H](O)[C@H]2C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]12 ZINC000144405209 EF Annotated Anodyne Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3ccc(CO)cc3)nc21 ZINC000144434821 EF Annotated Anodyne CC1(C)[C@@H](O)C(=O)C[C@@]2(C)[C@H]1CC[C@@]1(CO)c3cocc3CC[C@@H]12 ZINC000144487697 EF Annotated Anodyne CC1(C)[C@H](O)C(=O)C[C@@]2(C)[C@H]1CC[C@@]1(CO)c3cocc3CC[C@@H]12 ZINC000144487886 EF Annotated Anodyne COc1cc2c3c(c1OC)C1(C=CC(=O)C=C1)C[C@H]3[N+](C)([O-])CC2 ZINC000144505145 EF Annotated Mild C=C1CC[C@@H]2O[C@@]2(C)[C@H](O)C[C@@H]2C(C=O)=C[C@@H](C=C(C)C)[C@H](O)[C@@H]12 ZINC000144718595 EF Annotated Reactive CS(=O)(=O)c1cccc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000144723102 EF Annotated Anodyne CS(=O)(=O)c1cccc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000144723320 EF Annotated Anodyne Cn1nnnc1-c1cccc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000144771117 EF Annotated Anodyne Cn1nnnc1-c1cccc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000144771311 EF Annotated Anodyne C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1C[C@H]1[C@@H]3C(=O)C4=C(CC[C@]132)C(=O)OC4 ZINC000144782987 EF Annotated Mild NC(=O)CCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144792490 EF Annotated Anodyne NC(=O)CCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144792663 EF Annotated Anodyne CSc1c(Cc2nccc3c2[nH]c2ccc(O)cc23)n(C)c[n+]1C ZINC000014514711 EF Annotated Anodyne COc1c2c(c(C(=O)O)c3c1[C@@H](OC)O[C@H](OC)C3)CC(C)(C)C2 ZINC000014516020 EF Annotated Anodyne C=C(C)[C@H]1CC[C@]23C(=O)O[C@@H]4CC(C)=C[C@]5(C=C(C)C(=O)[C@]12O5)[C@@H]43 ZINC000014556260 EF Annotated Mild COc1cc2c(cc1O)C[C@@H]1c3c(cc(OC)c(O)c3-2)CC[N+]1(C)[O-] ZINC000014557977 EF Annotated Bother in-vitro biogenic C=C[C@]1(C)C[C@](O)([C@H](O)C(=C)C)Oc2c1c(=O)oc1cccc(C)c21 ZINC000014559619 EF Annotated Mild C=C[C@@]1(C)C=C([C@H](O)C(C)(C)O)Oc2c1c(=O)oc1cccc(C)c21 ZINC000014559658 EF Annotated Mild C[C@H]1OC=C2C(=O)O[C@@H]3[C@H]2[C@@H]1CN1CCc2c([nH]c4ccccc24)[C@H]31 ZINC000014585166 EF Annotated Anodyne C=CCc1cc(-c2cc([C@@H](OC)[C@H](O)CO)ccc2O)ccc1O ZINC000014585205 EF Annotated Mild in-vitro biogenic C=CCc1cc(-c2cc([C@H](OC)[C@H](O)CO)ccc2O)ccc1O ZINC000014585206 EF Annotated Mild COc1c2c(nc3occc13)C(=O)C[C@H]1C(C)(C)CC(=O)[C@@]21OC ZINC000014588005 EF Annotated Anodyne COC(=O)/C=C(/OC)[C@H](C)[C@H](/C=C/c1csc(C(C)=O)n1)OC ZINC000014588189 EF Annotated Anodyne C=C[C@](C)(CO)c1cc2c(cc1O)OC[C@@H](c1ccc(O)cc1O)C2 ZINC000014594258 EF Annotated Mild Cc1c(O)c(C)c2oc3c(c(=O)c2c1O)-c1cccc(O)c1O[C@@H]3O ZINC000014594369 EF Annotated Anodyne COC(=O)c1c2c(c3ccccc3c1O)OC(C)(C)[C@@H](OC)[C@H]2O ZINC000014594666 EF Annotated Anodyne C=C[C@]1(C)CC[C@@H]2C(=C[C@@H]3OC(=O)[C@@]4(C)[C@@H]3[C@@]23CC[C@@]4(O)OC3)C1 ZINC000014594700 EF Annotated Mild in-man endogenous C=C[C@@]1(C)CC[C@@H]2C(=C[C@@H]3OC(=O)[C@@]4(C)[C@@H]3[C@@]23CC[C@@]4(O)OC3)C1 ZINC000014594701 EF Annotated Mild in-man C=C[C@]1(C)CC[C@H]2C(=C[C@@H]3OC(=O)[C@@]4(C)[C@@H]3[C@@]23CC[C@@]4(O)OC3)C1 ZINC000014594702 EF Annotated Mild in-man C=C[C@@]1(C)CC[C@H]2C(=C[C@@H]3OC(=O)[C@@]4(C)[C@@H]3[C@@]23CC[C@@]4(O)OC3)C1 ZINC000014594703 EF Annotated Mild in-man CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)CCC[C@@]2(C)[C@@H]13 ZINC000014612001 EF Annotated Anodyne CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)C=CC[C@@]2(C)[C@@H]13 ZINC000014612005 EF Annotated Anodyne COc1c(O)ccc2c1-c1c3c(cc4c1[C@H](C2)[N+](C)([O-])CC4)OCO3 ZINC000014612178 EF Annotated Bother C[C@@H]1OC=C2C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]2[C@@H]1C=O ZINC000014612613 EF Annotated Mild C[C@H]1OC=C2C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]2[C@@H]1C=O ZINC000014612614 EF Annotated Mild COc1cnc2c3c(nc4ccccc4c13)-c1ccn(C)c(=O)c1C2=O ZINC000014612745 EF Annotated Bother CC[C@H](O)C#CC#C[C@H](O)/C=C/CCCCCCCCOC(C)=O ZINC000014616235 EF Annotated Mild CCCCOC(=O)CCCC(=O)NC[C@@H]1CCCN2CCCC[C@@H]12 ZINC000014616537 EF Annotated Anodyne COc1c(C(C)=O)c2c(c3c1[C@H](O)[C@@H](O)C(C)(C)O3)C=CC(C)(C)O2 ZINC000014616777 EF Annotated Anodyne COc1c2c(c3c(c1C(C)=O)OC(C)(C)[C@H](O)[C@H]3O)OC(C)(C)C=C2 ZINC000014616785 EF Annotated Anodyne COc1ccc2c(c1)[C@H](O)[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C ZINC000014618026 EF Annotated Anodyne COc1ccc2c(c1)[C@H](O)[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N+]1(C)[O-] ZINC000014618028 EF Annotated Bother COc1ccc2c(c1)[C@H](OC)[C@H]1NCCc3cc4c(c-2c31)OCO4 ZINC000014618043 EF Annotated Anodyne COC1=C[C@]2(C=CC1=O)C[C@H]1c3c(cc(OC)c(OC)c32)CCN1C ZINC000014618491 EF Annotated Mild COC1=C[C@@]2(C=CC1=O)C[C@H]1c3c(cc(OC)c(OC)c32)CCN1C ZINC000014618492 EF Annotated Mild COC1=C[C@]2(CCC1=O)C[C@H]1c3c(cc(OC)c(OC)c32)CCN1C ZINC000014618504 EF Annotated Mild ON1CCc2cc3c(c4c2[C@@H]1Cc1ccc2c(c1-4)OCO2)OCO3 ZINC000014618843 EF Annotated Anodyne O=CN1CCc2cc3c(c4c2c1cc1ccc2c(c14)OCO2)OCO3 ZINC000014618845 EF Annotated Bother COc1c2c3c(c4c1OCO4)-c1c(ccc4c1OCO4)C[C@@H]3NCC2 ZINC000014618847 EF Annotated Anodyne COc1cc2c(cc1O)-c1cc3cc(OC)c(O)cc3c(=O)n1CC2 ZINC000014620134 EF Annotated Anodyne COc1c(O)ccc2cc3n(c(=O)c12)CCc1cc2c(cc1-3)OCO2 ZINC000014620413 EF Annotated Anodyne Oc1cccc2c1[C@H](O)[C@@H]1O[C@@H]1C21Oc2cccc3cccc(c23)O1 ZINC000014636398 EF Annotated Anodyne Cc1cc2ccc3c(c2c[n+]1[C@H](C(=O)O)C(C)C)O[C@H](C(C)(C)O)C3 ZINC000014636668 EF Annotated Mild CO[C@@]1(C)CC2=C(CCCN2CCC/C=C2\C=C(C)C(=O)O2)C1=O ZINC000014636757 EF Annotated Mild in-man CO[C@]1(C)CC2=C(CCCN2CCC/C=C2\C=C(C)C(=O)O2)C1=O ZINC000014636759 EF Annotated Mild in-man CC1=C/C(=C/CCC[N+]2([O-])CCC[C@H]2[C@H]2C=C(C)C(=O)O2)OC1=O ZINC000014636777 EF Annotated Bother COC(=O)c1c(O)c(O)c2oc3c(C(=O)O)c(C)cc(O)c3c2c1C ZINC000014636959 EF Annotated Clean CC1(C)O[C@H]([C@@](C)(O)/C=C/Br)C[C@@H]1Br ZINC000014637023 EF Annotated Reactive CC1(C)O[C@@H]([C@](C)(O)/C=C/Br)C[C@@H]1Br ZINC000014637025 EF Annotated Reactive CC1(C)O[C@H]([C@](C)(O)/C=C/Br)C[C@@H]1Br ZINC000014637027 EF Annotated Reactive COc1cc2c(cc1OC)[C@@]13C=C[C@@H](OC)C[C@@H]1N(CC3)[C@H]2OC ZINC000014637207 EF Annotated Anodyne CC1=C[C@@]2(C=C(C(=O)O)[C@@]34CCCC(C)(C)[C@@H]3C[C@@H]2OC4)OC1=O ZINC000014637309 EF Annotated Anodyne O=C1O[C@@H](CCCOC(=O)c2cccc(O)c2O)c2ccccc21 ZINC000014638294 EF Annotated Clean COc1cc2cc3n(c(=O)c2c(OC)c1O)CCc1cc(O)ccc1-3 ZINC000014638482 EF Annotated Anodyne in-vitro biogenic COc1cc2[nH]c3c(OC)c(OC)ccc3c(=O)c2c(OC)c1OC ZINC000014639464 EF Annotated Bother COc1ccc([C@H]2Oc3c(C)c(O)c(C)c(OC)c3[C@H](O)[C@@H]2O)cc1 ZINC000014641564 EF Annotated Anodyne COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)C[C@@H]2O)cc1OC ZINC000014643027 EF Annotated Anodyne COc1ccc([C@@H]2COc3c(ccc(O)c3OC)C2)c(O)c1OC ZINC000014645780 EF Annotated Anodyne COc1ccc([C@H]2COc3c(ccc(O)c3OC)C2)c(O)c1OC ZINC000014645782 EF Annotated Anodyne in-vitro biogenic COc1cc2c(cc1-c1coc3c(OC)c(O)ccc3c1=O)OCO2 ZINC000014645945 EF Annotated Anodyne COc1c(O)cc2c(c1OC)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4 ZINC000014648571 EF Annotated Anodyne COc1c(O)cc2c(c1OC)OC[C@H]1c3cc4c(cc3O[C@H]21)OCO4 ZINC000014648573 EF Annotated Anodyne COc1c(O)cc2c(c1OC)OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4 ZINC000014648575 EF Annotated Anodyne COc1c(O)cc2c(c1OC)OC[C@@H]1c3cc4c(cc3O[C@H]21)OCO4 ZINC000014648577 EF Annotated Anodyne COc1ccc2oc3cc4c(c(OC)c3c(=O)c2c1OC)OCO4 ZINC000014648927 EF Annotated Bother COc1cc(OC)c2c(=O)c3cc4c(cc3oc2c1OC)OCO4 ZINC000014649003 EF Annotated Bother C/C=C1/CN[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@@H]2C(=O)OC ZINC000014649860 EF Annotated Anodyne COC(=O)c1c(O)cc(O)c(Oc2cc(C)cc(O)c2C=O)c1C ZINC000014653306 EF Annotated Anodyne C/C(=C\C=C\[C@H](C)/C=C\CC(C)C)[C@H]1[C@@H](O)C=C(CO)C(=O)[C@@H]1O ZINC000014653375 EF Annotated Mild COC(=O)/C=C/C(=O)c1ncc(OC)c2c1[nH]c1c(OC)cccc12 ZINC000014655510 EF Annotated Mild C[C@@H]1CC(=O)[C@H]2CC(CO)=CCC[C@@H]2[C@@]1(C)CC/C(=C/CO)CO ZINC000014656315 EF Annotated Anodyne Cc1ccc2c(c1CC[C@H](O)C(C)(C)O)C(=O)C(O)=C(C(C)C)C2=O ZINC000014679564 EF Annotated Mild COc1cc2c(cc1O)[C@@H]1Cc3c(ccc(OC)c3O)[C@H]2C[N+]1(C)C ZINC000014681553 EF Annotated Bother COc1c(CC=C(C)C)c(=O)n(C)c2c(OC)c3c(cc12)OCO3 ZINC000014682481 EF Annotated Anodyne C=C(C)[C@H](Cc1c(OC)c2cc(OC)cc(OC)c2n(C)c1=O)OC ZINC000014682497 EF Annotated Mild COc1ccc(/C=C2\COc3c(OC)c(O)cc(O)c3C2=O)cc1 ZINC000014683612 EF Annotated Mild C[C@]12COc3cc(CCc4ccccc4)c(C(=O)O)c(O)c3C[C@H]1O2 ZINC000014685081 EF Annotated Anodyne C[N+]1([O-])C[C@@H]2c3cc4c(cc3C[C@H]1c1cc3c(cc12)OCO3)OCO4 ZINC000014685299 EF Annotated Bother COc1ccc(C(=O)[C@H]2C(=O)O[C@](C)(CCCC(C)=O)[C@@H]2C)c(O)c1 ZINC000014685421 EF Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)O[C@](C)(CCCC(C)=O)[C@@H]2C)c(O)c1 ZINC000014685422 EF Annotated Anodyne C/C=C1/CN2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@H](C=O)[C@H]1C[C@H]24 ZINC000014685664 EF Annotated Mild CC(C)=CCOc1cccc2c(=O)c3c(n(C)c12)OC(C)(C)[C@H](O)C3 ZINC000014686863 EF Annotated Anodyne C/C=C1/C[N+]2(C)[C@H]3C[C@@H]1[C@H](CO)[C@@H]2Cc1c3n(C)c2ccc(O)cc12 ZINC000014691679 EF Annotated Bother Cc1cc(O)c2c3c(c(O)c4c(c13)O[C@@H](C)C4(C)C)C(=O)C(=O)O2 ZINC000014693083 EF Annotated Anodyne COc1cc(C)c2c3c(c(OC)c4c(=O)c(=O)c1c24)C(C)(C)[C@H](C)O3 ZINC000014693090 EF Annotated Anodyne COC1=CC(=O)c2cc3c4c(cc(OC)c(OC)c4c2C1=O)CCN3 ZINC000014711496 EF Annotated Mild CC(=O)CC[C@H]1C=CC2=C(C(=O)c3cc(O)ccc3C2=O)[C@@]1(C)C=O ZINC000014715615 EF Annotated Mild in-vitro biogenic COC(=O)[C@@H]1[C@H]2C[C@H]3c4c(c5ccccc5n41)CCN3C=C2C(C)=O ZINC000014717604 EF Annotated Mild COC(=O)c1cccnc1-c1nccc2c1c(=O)[nH]c1ccccc12 ZINC000014718241 EF Annotated Bother COc1cc2c(c(C(=O)O)c1)Oc1c(C=O)c(O)cc(C)c1C(=O)O2 ZINC000014718400 EF Annotated Anodyne Cc1cc(O)c(C=O)c2c1C(=O)Oc1cc(O)c(C(=O)O)c(C)c1O2 ZINC000014718422 EF Annotated Anodyne CC(=O)OC/C(=C\C=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O ZINC000014721195 EF Annotated Reactive C=C(C)/C=C\c1cc(O)c2c(c1O)C(=O)c1c(O)ccc(O)c1C2=O ZINC000014721364 EF Annotated Mild CC#CC#CC#C/C=C\C=C\[C@H](CCOC(C)=O)OC(=O)/C(C)=C\C ZINC000014722223 EF Annotated Mild CC1(C)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)cc21 ZINC000014723344 EF Annotated Clean CC1(C)O[C@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)cc21 ZINC000014723346 EF Annotated Clean CC1(C)O[C@@H]2Cc3c(O)cc(O)cc3O[C@H]2c2cc(O)c(O)cc21 ZINC000014723348 EF Annotated Clean CC1(C)O[C@H]2Cc3c(O)cc(O)cc3O[C@H]2c2cc(O)c(O)cc21 ZINC000014723349 EF Annotated Clean Cc1ccc2c(c1)O[C@@H]1O[C@]3(CC[C@]21O)c1ccc(C)cc1O[C@@H]3O ZINC000014723450 EF Annotated Anodyne Cc1ccc2c(c1)O[C@H]1O[C@]3(CC[C@]21O)c1ccc(C)cc1O[C@@H]3O ZINC000014723452 EF Annotated Anodyne Cc1ccc2c(c1)O[C@H](O)[C@]21CC[C@]2(O)c3ccc(C)cc3O[C@@H]2O1 ZINC000014723454 EF Annotated Anodyne Cc1ccc2c(c1)O[C@H]1O[C@@]3(CC[C@]21O)c1ccc(C)cc1O[C@@H]3O ZINC000014723456 EF Annotated Anodyne Cc1c(O)cc2c3c1OC(C)(C)[C@@H](O)[C@@H]3c1ccc(O)c(O)c1CC2 ZINC000014724886 EF Annotated Clean COc1c(O)cc2oc3c(c(=O)c2c1OC)OCc1cccc(O)c1-3 ZINC000014725555 EF Annotated Anodyne in-vitro biogenic Oc1ccc([C@H]2OC[C@@H]3[C@H](c4ccc(O)c(O)c4)OC[C@H]23)cc1O ZINC000014727128 EF Annotated Clean COC1=C(O)C(=O)c2c(O)c3c(c(OC)c2C1=O)C=C(C)O[C@H]3C ZINC000014727462 EF Annotated Mild in-vitro biogenic COc1cc(OC)c2c(c1OC)C(=O)c1cc(C)cc(OC)c1C2=O ZINC000014760832 EF Annotated Clean CC(C)=CCc1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O ZINC000014761013 EF Annotated Clean COc1ccc2c(c1)OC[C@]1(OC)c3cc4c(cc3O[C@H]21)OCO4 ZINC000014763306 EF Annotated Anodyne in-vitro biogenic COc1ccc2c(c1)OC[C@@]1(OC)c3cc4c(cc3O[C@@H]21)OCO4 ZINC000014763308 EF Annotated Anodyne COC1=CC=C2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CC[N+]3(C)C)[C@@H]1O5 ZINC000014765852 EF Annotated Bother COc1cc2c3c(c1O)C1(CCC(O)CC1)CC[C@H]3[N+](C)([O-])CC2 ZINC000014773864 EF Annotated Bother COCn1c2ccccc2c(=O)c2c(OC)c(OC)c(OC)cc21 ZINC000014774889 EF Annotated Bother in-vitro biogenic COc1ccc(C[C@H]2COc3cc(O)c(OC)c(O)c3C2=O)cc1 ZINC000014811042 EF Annotated Anodyne in-vitro biogenic COc1ccc(C[C@H]2COc3c(OC)c(O)cc(O)c3C2=O)cc1 ZINC000014811068 EF Annotated Anodyne COc1cc(O)c2c(c1OC)OC[C@H](Cc1ccc(O)cc1)C2=O ZINC000014811070 EF Annotated Anodyne in-man COc1cc(O)c2c(c1OC)OC[C@@H](Cc1ccc(O)cc1)C2=O ZINC000014811071 EF Annotated Anodyne in-man COc1ccc(C[C@H]2COc3c(O)c(OC)cc(OC)c3C2=O)cc1 ZINC000014811074 EF Annotated Anodyne in-vitro biogenic C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@@](C)(O)[C@@H](O)CO ZINC000014812947 EF Annotated Mild O=C1OC[C@H](Cc2ccc(O)cc2)[C@H]1Cc1ccc2c(c1)OCO2 ZINC000014813290 EF Annotated Anodyne CC(=O)O[C@H]1C(=O)c2c(cc(O)c(C)c2O)O[C@@H]1c1ccccc1 ZINC000014814905 EF Annotated Anodyne COC1=CC(=O)[C@@](O)(CC(C)=O)c2ccc3cc(OC)ccc3c21 ZINC000014817143 EF Annotated Mild in-vitro biogenic COC1=CC(=O)[C@](O)(CC(C)=O)c2ccc3cc(OC)ccc3c21 ZINC000014817144 EF Annotated Mild COC(=O)c1c(OC)c(=O)c2ccc(O)c(CC=C(C)C)c2n1C ZINC000014819698 EF Annotated Anodyne CC(C)(O)[C@@H](O)Cc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O ZINC000014819709 EF Annotated Anodyne CC(C)(O)[C@H](O)Cc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O ZINC000014819711 EF Annotated Anodyne CC(C)(O)CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O ZINC000014819757 EF Annotated Bother in-vitro biogenic C=C(C)[C@H](O)Cc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O ZINC000014819761 EF Annotated Mild CC[C@H]1[C@@H]2CC[N+]3([O-])CC[C@]4(C(=C2C(=O)OC)Nc2ccccc24)[C@@H]13 ZINC000014824487 EF Annotated Bother CC(C)CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)O ZINC000014826979 EF Annotated Anodyne COc1cc(OC)c2c(c1OC)C(=O)C1=C(C2=O)[C@@H](C)O[C@@H](C)C1 ZINC000014827888 EF Annotated Mild CCCc1cc(=O)c([C@@H]2OC(=O)c3cc(OC)cc(OC)c32)co1 ZINC000014828352 EF Annotated Anodyne CCCc1cc(=O)c([C@H]2OC(=O)c3cc(OC)cc(OC)c32)co1 ZINC000014828354 EF Annotated Anodyne COC(=O)[C@@H]1C[C@]23C=CCN4CC[C@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@@H]43 ZINC000014829450 EF Annotated Anodyne COC(=O)[C@H]1C[C@]23C=CCN4CC[C@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@@H]43 ZINC000014829452 EF Annotated Anodyne CC1(C)Oc2cc3oc(=O)ccc3c3c2[C@@H]2[C@H](O)[C@@](C)(CC[C@H]21)O3 ZINC000014861179 EF Annotated Anodyne CC1(C)Oc2cc3oc(=O)ccc3c3c2[C@H]2[C@@H]1CC[C@@](C)(O3)[C@H]2O ZINC000014861180 EF Annotated Anodyne c1ccc([C@H]2OC[C@H]3O[C@@H]4O[C@@H](c5ccccc5)O[C@@H]4[C@H]3O2)cc1 ZINC000014886503 EF Annotated Anodyne C=CC[C@@]12C=C(OC)[C@@H](O)[C@@H](C1=O)[C@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000014927449 EF Annotated Mild COc1cc2c(c(O)c1OC)CCCN1CCC3=CC[C@@H](OC)C[C@]321 ZINC000014929824 EF Annotated Anodyne COc1cc2c(c(O)c1OC)CCCN1CCC3=CC[C@H](OC)C[C@]321 ZINC000014929827 EF Annotated Anodyne C[C@]12C[C@@H]3OC(=O)[C@@H]4CCC[C@@H]([C@@]34C)[C@@]1(C)C(=O)[C@@]2(O)c1ccoc1 ZINC000014930428 EF Annotated Anodyne C/C=C\CN1C(=O)c2cccn2S(=O)(=O)c2cc(Cl)ccc21 ZINC000014943653 EF Annotated Anodyne N/C(=N\c1ccc(Br)cn1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000014943864 EF Annotated Mild Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2ccccc2O)n1C ZINC000014944738 EF Annotated Anodyne Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2cccc(O)c2)n1C ZINC000014944740 EF Annotated Anodyne Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2ccc(O)cc2)n1C ZINC000014944742 EF Annotated Anodyne Cc1nc2ccc(C#N)cc2c2c1C(=O)N(c1c(C)nn(C)c1C)C2=O ZINC000014947211 EF Annotated Mild C[C@@H]1C(=O)N(C)C(=O)c2c1nc(/C=C/c1cccc(Cl)c1)n2C ZINC000014947455 EF Annotated Anodyne C[C@H]1C(=O)N(C)C(=O)c2c1nc(/C=C/c1cccc(Cl)c1)n2C ZINC000014947457 EF Annotated Anodyne COc1ccc2c(c1)O[C@H]1c3c(OC)cc(OC)cc3O[C@@H]2[C@H]1O ZINC000014948471 EF Annotated Anodyne Cc1cc(C)c(CN2CCO[C@H](CCN(C)C)C2)c(-n2cccn2)c1 ZINC000014948785 EF Annotated Anodyne Cc1cc(C)c(CN2CCO[C@@H](CCN(C)C)C2)c(-n2cccn2)c1 ZINC000014948788 EF Annotated Anodyne CN(C)CCON/C(=C/C=C1C=CC(=O)C=C1)c1ccccc1F ZINC000014953472 EF Annotated Mild in-vitro O=C1C[C@H]2[C@@H]3CCC(=O)c4c(O)ccc(c43)[C@]2(O)c2cccc(O)c21 ZINC000014954387 EF Annotated Anodyne C[C@H](CCc1ccc(C(N)=O)cc1)NCC(=O)c1ccc(F)c(F)c1 ZINC000014958617 EF Annotated Anodyne C[C@H](CCc1ccc(C(N)=O)cc1)NCC(=O)c1ccccc1F ZINC000014958621 EF Annotated Anodyne C/C=C(\CO)[C@@H]1C[C@@H]2NCCc3c2n(c2ccccc32)[C@H]1C(=O)OC ZINC000014959237 EF Annotated Anodyne COc1cc(Cl)cc2c(=O)c3c(C(F)(F)F)nn(C)c3n(O)c12 ZINC000014959819 EF Annotated Anodyne NC(=O)c1sc(N)nc1-c1ccc(Cl)c(Br)c1 ZINC000014960937 EF Annotated Anodyne NC(=O)c1scnc1-c1cccc(I)c1 ZINC000014960952 EF Annotated Anodyne Nc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964616 EF Annotated Anodyne CC(C)(O)C1=C[C@@H](O)[C@]2(C)C[C@@H]3O[C@@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@@H]12 ZINC000014971044 EF Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC(=O)[C@]1(C=COC1)O2 ZINC000014973182 EF Annotated Anodyne Cc1ocnc1C(=O)N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1 ZINC000014977820 EF Annotated Anodyne Cc1ocnc1C(=O)N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1 ZINC000014977823 EF Annotated Anodyne C/C=C(\C)CN1CCOc2ccc(CN3CCC(O)CC3)cc2C1 ZINC000014995753 EF Annotated Anodyne N[C@H]1CCC[C@@H](NC(=O)c2ccnc3nc(-c4cccs4)[nH]c23)C1 ZINC000145187114 EF Annotated Anodyne N[C@H]1CCC[C@H](NC(=O)c2ccnc3nc(-c4cccs4)[nH]c23)C1 ZINC000145187330 EF Annotated Anodyne N[C@@H]1CCC[C@@H](NC(=O)c2ccnc3nc(-c4cccs4)[nH]c23)C1 ZINC000145187565 EF Annotated Anodyne N[C@@H]1CCC[C@H](NC(=O)c2ccnc3nc(-c4cccs4)[nH]c23)C1 ZINC000145187769 EF Annotated Anodyne O=C(NC[C@@H]1CCCCN1)c1ccnc2nc(-c3cccs3)[nH]c12 ZINC000145188022 EF Annotated Anodyne O=C(NC[C@H]1CCCCN1)c1ccnc2nc(-c3cccs3)[nH]c12 ZINC000145188182 EF Annotated Anodyne CN1CCC[C@H](NC(=O)c2ccnc3nc(-c4cccs4)[nH]c23)C1 ZINC000145209968 EF Annotated Anodyne CN1CCC[C@@H](NC(=O)c2ccnc3nc(-c4cccs4)[nH]c23)C1 ZINC000145210180 EF Annotated Anodyne O=C(N[C@@H]1CCCNC1)c1ccnc2[nH]c(-c3cccs3)cc12 ZINC000145285326 EF Annotated Anodyne O=C(N[C@H]1CCCNC1)c1ccnc2[nH]c(-c3cccs3)cc12 ZINC000145285532 EF Annotated Anodyne CC1=C[C@@H]2O[C@@]3(Br)C=C[C@@](C)(O)[C@]2(C[C@H]1O)C3(C)C ZINC000145319923 EF Annotated Anodyne C/C=C(\C)C(=O)Oc1cc(C)c(OC)cc1[C@]1(COC(C)=O)CO1 ZINC000145898345 EF Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C=CCN4CC[C@@]5(c6ccccc6N[C@]15[C@H]2C)[C@@H]43 ZINC000145936799 EF Annotated Anodyne C[C@@H](Oc1cc(Br)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000146174945 EF Annotated Anodyne C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@H]1CC[C@]1(C)[C@@H](O)CC=C(C)[C@@H]21 ZINC000146289182 EF Annotated Anodyne C=C1CC[C@H](O)[C@@]2(C)CC[C@@H]3[C@@H](OC(=O)[C@@]3(C)OC(=O)/C(C)=C\C)[C@H]12 ZINC000146289380 EF Annotated Mild CO[C@@H]1C(c2ccc(C#N)c(Cl)c2C)=NN2CC(F)(F)C[C@@H]12 ZINC000146547613 EF Annotated Anodyne COC(=O)c1cc(-c2ccc3[nH]c(-c4nc(C)no4)cc3c2)n(C)n1 ZINC000147438792 EF Annotated Anodyne CC(C)(C)c1cc(NC(=O)[C@@H]2C[C@@H](O)CN2C2CCCCC2)on1 ZINC000147439868 EF Annotated Anodyne O=C(Nc1nc2cc(Cl)ccc2[nH]1)[C@@H]1CCCN1C1CCOCC1 ZINC000147455840 EF Annotated Anodyne COc1cc(S(=O)(=O)c2cccs2)cc2c3c(oc12)CCNC3 ZINC000147514880 EF Annotated Anodyne O=S(=O)(c1cccnc1)c1cc(Cl)c2oc3c(c2c1)CNCC3 ZINC000147541852 EF Annotated Anodyne N#Cc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3 ZINC000147550400 EF Annotated Anodyne COc1cc(S(=O)(=O)c2ccsc2)cc2c3c(oc12)CCNC3 ZINC000147556282 EF Annotated Anodyne CCOC(=O)c1ccc(N(C)c2nc(=O)c3cccnc3s2)cc1 ZINC000147707724 EF Annotated Anodyne Cc1nc2c(N3CCOCC3)nccn2c1-c1ccc(C2CC2)nc1 ZINC000147710234 EF Annotated Anodyne C[C@@H](Oc1cc(-c2cnn(C)c2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000147813525 EF Annotated Anodyne C=CC[C@]12CC=CC(=O)[C@@]1(O)O[C@@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000148001294 EF Annotated Mild C=CC[C@]12CC=CC(=O)[C@@]1(O)O[C@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000148001391 EF Annotated Mild CN1C=CN(CCC[n+]2cccc(C(=O)c3ccccc3)c2)/C1=C\N=O ZINC000148138987 EF Annotated Anodyne O=C1N(c2ccc3ncsc3c2)CCN1c1cnccc1CO ZINC000148246384 EF Annotated Anodyne C=C1C(=O)[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@](C)(COC1=O)[C@H]2C[C@H]3O ZINC000148469015 EF Annotated Mild CCNC(=S)Nc1ccc2ncc(-c3ccc(O)cc3)nc2n1 ZINC000148616021 EF Annotated Anodyne O=C1N(c2ccc3ncsc3c2)CCN1c1cncc2nccn12 ZINC000148800174 EF Annotated Anodyne C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(OC2CCCCC2)cc1 ZINC000148903507 EF Annotated Anodyne COc1ccc(C2=NCC(=O)N3CCc4c(OC)cccc4C3=C2)cc1 ZINC000148995403 EF Annotated Anodyne CCc1cc(C2=NCC(=O)N3CCc4c(OC)cccc4C3=C2)ccn1 ZINC000149086695 EF Annotated Anodyne Cc1cn(C2=NCC(=O)N3CCc4c(Cl)cccc4C3=C2)cn1 ZINC000149168747 EF Annotated Anodyne COc1cccc(C2=NCC(=O)N3CCc4c(OC)cccc4C3=C2)c1 ZINC000149245461 EF Annotated Anodyne Cc1ncn(C2=NCC(=O)N3CCc4c(cccc4C4CCC4)C3=C2)n1 ZINC000149263933 EF Annotated Anodyne CCc1ncnc(N2CCC(F)(F)CC2)c1C#Cc1ccc(N)nc1 ZINC000149307169 EF Annotated Mild O=C(N[C@H]1CCCc2c1cnn2-c1cccc(O)c1)c1ccccn1 ZINC000149427863 EF Annotated Anodyne O=C(N[C@@H]1CCCc2c1cnn2-c1cccc(O)c1)c1ccccn1 ZINC000149428052 EF Annotated Anodyne O=C(N[C@H]1CCCc2c1cnn2-c1ccc(O)cc1)c1ccccn1 ZINC000149491009 EF Annotated Anodyne O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(O)cc1)c1ccccn1 ZINC000149491242 EF Annotated Anodyne O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1cc[nH]n1 ZINC000149520704 EF Annotated Anodyne O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1cc[nH]n1 ZINC000149520917 EF Annotated Anodyne CCOc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)c(F)c2)cn1 ZINC000149874637 EF Annotated Anodyne CCOc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)cn1 ZINC000149874860 EF Annotated Anodyne CCOc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)ccn1 ZINC000149896528 EF Annotated Anodyne CCOc1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)c(F)c2)ccn1 ZINC000149897586 EF Annotated Anodyne CCOc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)cn1 ZINC000149902043 EF Annotated Anodyne Brc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1 ZINC000149928456 EF Annotated Anodyne Brc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1 ZINC000149930148 EF Annotated Anodyne N#Cc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2Cl)nc1 ZINC000149933843 EF Annotated Anodyne N#Cc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2Cl)nc1 ZINC000149934705 EF Annotated Anodyne Cc1cc([C@@H]2CNCCO2)ccc1NC(=O)c1ccc(Cl)nc1 ZINC000149939130 EF Annotated Anodyne N#Cc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2Cl)cn1 ZINC000149943955 EF Annotated Anodyne N#Cc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2Cl)cn1 ZINC000149944191 EF Annotated Anodyne c1cc([C@@H]2CNCCO2)ccc1Nc1ncc(OCC2CC2)cn1 ZINC000149978590 EF Annotated Anodyne c1cc([C@H]2CNCCO2)ccc1Nc1ncc(OCC2CC2)cn1 ZINC000149979049 EF Annotated Anodyne Cc1cc([C@@H]2CNCCO2)ccc1Nc1ncc(Br)cn1 ZINC000149983889 EF Annotated Anodyne Cc1cc([C@H]2CNCCO2)ccc1Nc1ncc(Br)cn1 ZINC000149984096 EF Annotated Anodyne Brc1ccc(Nc2ccc([C@H]3CNCCO3)cn2)nc1 ZINC000149985393 EF Annotated Anodyne Brc1ccc(Nc2ccc([C@@H]3CNCCO3)cn2)nc1 ZINC000149985806 EF Annotated Anodyne COC(=O)N/C(C)=C1/Nc2ccccc2[C@H](c2ccccc2)NC1=O ZINC000001508609 EF Annotated Anodyne COC(=O)N/C(C)=C1/Nc2ccccc2[C@@H](c2ccccc2)NC1=O ZINC000001508619 EF Annotated Anodyne OCCN(CCO)CCCCN1c2ccccc2Oc2ccccc21 ZINC000001535466 EF Annotated Clean C(#Cc1ccccc1)COc1nsnc1[C@@H]1CN2CCC[C@H]1C2 ZINC000001546300 EF Annotated Mild CC[C@@H]1[C@@H]2CC[N+]3([O-])CC[C@@]4(C(=C2C(=O)OC)Nc2ccccc24)[C@@H]13 ZINC000001565134 EF Annotated Bother CNC(=O)OCc1c(COC(=O)NC)c(-c2ccccc2)n(C)c1C ZINC000001566161 EF Annotated Anodyne COc1cc2nc3occc3c(OC)c2cc1OC[C@H](O)C(C)(C)O ZINC000001581845 EF Annotated Anodyne COc1ccc([C@@H](C)c2cc3c(cc2OCCO)OCO3)cc1OC ZINC000001582475 EF Annotated Anodyne COc1cc2c(cc1O)Cc1c-2[n+](C)cc2cc(OC)c(OC)cc12 ZINC000001582874 EF Annotated Anodyne COc1cc2c[n+](C)c3c(c2cc1OC)Cc1c-3ccc(O)c1OC ZINC000001584875 EF Annotated Anodyne C[C@@H]1[C@H](O)C[C@]23COC(=O)C2=CCC[C@@H]3[C@]1(C)CCC1=CC(=O)OC1 ZINC000001592898 EF Annotated Anodyne CCOC(=O)[C@H]1Cc2c(cc3c4c(cccc24)N(C(C)=O)C3)N(C)C1 ZINC000001611831 EF Annotated Anodyne CO[C@H]1CC[C@@H]2[C@@H](NS(=O)(=O)c3ccc(C)cc3)CCC[C@H]2O1 ZINC000001613577 EF Annotated Anodyne CO[C@H]1CC[C@H]2[C@@H](NS(=O)(=O)c3ccc(C)cc3)CCC[C@H]2O1 ZINC000001613578 EF Annotated Anodyne CO[C@H]1CC[C@@H]2[C@@H](NS(=O)(=O)c3ccc(C)cc3)CCC[C@@H]2O1 ZINC000001613579 EF Annotated Anodyne CO[C@H]1CC[C@H]2[C@@H](NS(=O)(=O)c3ccc(C)cc3)CCC[C@@H]2O1 ZINC000001613580 EF Annotated Anodyne COc1ccc([C@H]2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)cc1 ZINC000001614336 EF Annotated Anodyne Cc1c(C(=O)/C=C/C=C/c2ccccc2)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000001616413 EF Annotated Mild CCOC(=O)COc1ccccc1/C=C1\CC[C@@H](CN(C)C)C1=O ZINC000001618755 EF Annotated Mild COc1cc2ccnc3c2c(c1OC)C[C@@H]1C[C@H](O)[C@@H](OC)C[C@H]31 ZINC000001619028 EF Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C/C=C1/CCOC1=O ZINC000001620284 EF Annotated Mild COc1cc(OC)c2nccc(NCCCN(C)C)c2c1[N+](=O)[O-] ZINC000001625757 EF Annotated Bother O=S1(=O)CCCS(=O)(=O)C(c2ccccc2)=C1c1ccccc1 ZINC000001627678 EF Annotated Anodyne CN(C)CCNC(=O)c1cc([N+](=O)[O-])cc2c1Oc1ccccc1O2 ZINC000001629053 EF Annotated Bother CCOC(=O)N1c2c(ccn2C)-c2ccn(C)c2N1C(=O)OCC ZINC000001629162 EF Annotated Anodyne COc1ccc(-c2c(C3=NCCCN3)nnn2-c2ccccc2)cc1 ZINC000001629422 EF Annotated Anodyne CN1CCN=C1c1nnn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000001629424 EF Annotated Bother COc1cc(OC)c2c(c1)C(=O)C(CC1(C)OCCCO1)=CC2=O ZINC000001630441 EF Annotated Mild COc1cc(C=O)c(-c2cc3c(cc2C=O)OCO3)c(OC)c1OC ZINC000001630765 EF Annotated Anodyne CC(C)(CCl)NC(=O)c1cccc(C(=O)NC(C)(C)CCl)n1 ZINC000001631704 EF Annotated Reactive Cc1ccc([C@H]2[C@@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1 ZINC000001632112 EF Annotated Reactive Cc1ccc([C@@H]2[C@@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1 ZINC000001632113 EF Annotated Reactive C/C=C/c1cc(=O)c([C@H]2OC(=O)c3cc(OC)cc(OC)c32)co1 ZINC000001635037 EF Annotated Anodyne Cc1ccc(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000001635317 EF Annotated Bother CCN1CC[C@](O)(c2ccc(O)cc2)[C@@H](C(=O)c2ccc(O)cc2)C1 ZINC000001635912 EF Annotated Anodyne CC(=O)NN(c1ccccc1)[C@@H]1CCN(c2ccccc2)N1C(C)=O ZINC000001636407 EF Annotated Reactive CCOC(=O)/C(=C\c1ccc(CO)o1)P(=O)(OCC)OCC ZINC000001637643 EF Annotated Anodyne O=C1C[C@H](NC(=O)C(F)(F)F)c2c1csc2Br ZINC000001638246 EF Annotated Anodyne O=S(=O)(/C=C/C=C/S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000001638663 EF Annotated Anodyne CC(C)(Br)[C@H](Br)CC[C@]1([C@@H]2CO2)CO1 ZINC000001638735 EF Annotated Reactive Cc1nc2cccc(F)c2c(=O)n1-c1nnc(C(F)(F)F)s1 ZINC000001638774 EF Annotated Anodyne c1ccc(NC2(c3nnnn3C3CCCCC3)CCNCC2)cc1 ZINC000001639508 EF Annotated Anodyne COc1ccccc1[C@@H]1C2=C(COC2=O)Oc2cc3c(cc21)OCO3 ZINC000001640575 EF Annotated Anodyne CC(C)C#C[C@@](O)(C(=O)O[C@@H]1C2CCN(CC2)[C@@H]1C)C1CCCCC1 ZINC000001641785 EF Annotated Mild COC(=O)NC(C(F)(F)F)(C(F)(F)F)P1(=O)OCCCO1 ZINC000001644554 EF Annotated Anodyne O=[N+]([O-])c1ccc([C@](O)(C#CCN2CCCC2)c2ccccc2)cc1 ZINC000001645292 EF Annotated Mild CC[C@@]1(O)CN(CCOC)[C@H]2C[C@@H]1C(=O)c1[nH]c3ccccc3c12 ZINC000001645617 EF Annotated Anodyne CC[C@]1(O)CN(CCOC)[C@H]2C[C@@H]1C(=O)c1[nH]c3ccccc3c12 ZINC000001645618 EF Annotated Anodyne O=c1[nH]nc(Cc2ccccc2)n1/N=C/c1c(O)ccc2ccccc12 ZINC000001647726 EF Annotated Mild O=C1c2cc(Cl)ccc2N=C(NCCCl)[C@@H]2CSCN12 ZINC000001649456 EF Annotated Reactive COc1ccc(/C=C2\N=C3N(Cc4ccccc4)C=C(N)N3C2=O)cc1 ZINC000001650522 EF Annotated Anodyne c1ccc(Cc2nc(Cc3n[nH]c(Cc4ccccc4)n3)n[nH]2)cc1 ZINC000001650834 EF Annotated Anodyne COc1ccc(N2C=Nn3c(nc4sc(C)c(C)c4c3=O)C2)cc1 ZINC000001651335 EF Annotated Anodyne C[C@H]1NC(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2NC1=O ZINC000001651340 EF Annotated Anodyne CCOC(=O)[C@H](C)c1nc2c(Cl)c3ncccc3cc2[nH]c1=O ZINC000001651776 EF Annotated Bother Cn1c([C@H](C#N)C(=O)c2cc(O)ccc2[N+](=O)[O-])nc2ccccc21 ZINC000001653320 EF Annotated Mild Cc1ccc(Nc2c(C#N)[n+]([O-])c3cc(Cl)ccc3[n+]2[O-])cc1 ZINC000001653583 EF Annotated Mild CCCN1CC=C(c2cc(C(=O)OCC)[nH]c2-c2cc(C)no2)C1=O ZINC000001653949 EF Annotated Anodyne C=CCN1CC[C@@H](c2cc(C(=O)OCC)[nH]c2-c2cc(C)no2)C1=O ZINC000001653955 EF Annotated Mild Cn1c2c(c3ccccc31)CC(=O)N1CCC[C@H](C1)CC21OCCO1 ZINC000001654406 EF Annotated Anodyne O=C1Cc2c([nH]c3ccccc23)C2(C[C@@H]3CCCCN13)OCCO2 ZINC000001654409 EF Annotated Anodyne Cc1oc(N)c(S(=O)(=O)/C(C#N)=C/c2ccccc2[N+](=O)[O-])c1C ZINC000001655185 EF Annotated Reactive Cc1c(-c2ccccc2)c(C#N)c2nnn(-c3ccccc3)c(=O)n12 ZINC000001657801 EF Annotated Mild C[C@]12C[C@H](c3ccccc3O1)[C@@H](C(=O)Nc1ccc(F)cc1)C(=O)N2 ZINC000001658203 EF Annotated Anodyne C[C@@H]1CNC(c2ccc3c(c2)Cc2cc(C4=N[C@H](C)CN4)ccc2-3)=N1 ZINC000001658578 EF Annotated Anodyne COc1nc(SC)nc2c1[C@@H](O)n1c(nc3ccccc31)S2 ZINC000001658793 EF Annotated Anodyne Cc1cc2nc3c([C@H](O)CO)nn(-c4ccccc4)c3nc2cc1C ZINC000001659038 EF Annotated Anodyne O=C1CS(=O)(=O)[C@@H](c2cccc(Oc3ccccc3)c2)N1C1CC1 ZINC000001659509 EF Annotated Anodyne CC(C)(C)OC(=O)N1CC=CC(=O)C2(OCCO2)c2ccccc21 ZINC000001660396 EF Annotated Mild N#Cc1c(Nc2ccc(F)cc2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] ZINC000001662819 EF Annotated Mild CC(=O)c1c(C(F)(F)F)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000001662902 EF Annotated Anodyne Nc1n[n+]2cc(-c3ccccc3)n(CC(=O)c3ccccc3)c2s1 ZINC000001662965 EF Annotated Anodyne CCn1c2c(c3c(C(=O)OC)c(O)ccc31)C(=O)c1ccccc1C2=O ZINC000001663100 EF Annotated Clean Cc1c(C(=O)c2ccccc2)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000001663180 EF Annotated Anodyne Cc1cc2c(cc1C)[n+]([O-])c(C(=O)Nc1ccccc1C)c(C)[n+]2[O-] ZINC000001663192 EF Annotated Anodyne COc1cc(OC)c2c(c1OC)OC[C@H](Cc1ccc(O)cc1)C2=O ZINC000001663631 EF Annotated Anodyne in-vitro biogenic Cc1ccc(S(=O)(=O)n2oc(O)c(C3CCCCC3)c2=N)cc1 ZINC000001690052 EF Annotated Anodyne CC1(C)Oc2cc3oc(=O)ccc3c3c2[C@H]2[C@H](O)[C@](C)(CC[C@H]21)O3 ZINC000001730930 EF Annotated Anodyne COc1cc2c(cc1O)[C@@H]1Cc3cc4c(cc3[N+]1(C)CC2)OCO4 ZINC000001760911 EF Annotated Clean COc1ccc(S(=O)(=O)O/N=C2/C=C(C(C)C)C(=O)C=C2C)cc1 ZINC000001802649 EF Annotated Mild O=C(CCCCl)NNc1nncc(-c2ccc(Cl)cc2)n1 ZINC000001842266 EF Annotated Reactive O=C(O)CCc1nc2c(n1-c1ccccc1)C(=O)c1ccccc1C2=O ZINC000001855978 EF Annotated Clean Cc1ccc(C2=Nc3cc(C)c(Cl)cc3S(=O)(=O)NN2)cc1 ZINC000001856778 EF Annotated Anodyne CSc1c(C#N)c(O)nc(N)c1C(=O)Nc1ccc(Cl)cc1 ZINC000001858338 EF Annotated Mild C[C@@]12ON=C(c3ccccc3)N1C=CN1C(c3ccccc3)=NO[C@@H]12 ZINC000001859921 EF Annotated Anodyne C[C@]12ON=C(c3ccccc3)N1C=CN1C(c3ccccc3)=NO[C@@H]12 ZINC000001859923 EF Annotated Anodyne C[C@@]12ON=C(c3ccccc3)N1C=CN1C(c3ccccc3)=NO[C@H]12 ZINC000001859926 EF Annotated Anodyne C[C@]12ON=C(c3ccccc3)N1C=CN1C(c3ccccc3)=NO[C@H]12 ZINC000001859928 EF Annotated Anodyne CCOC(=O)c1sc2nc(SC)nc3c2c1NCN3C1CC1 ZINC000001860094 EF Annotated Anodyne CSc1nc2c(c(N(C)C)n1)[C@@H](O)n1c(nc3ccccc31)S2 ZINC000001860103 EF Annotated Anodyne COc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)n[nH]c2=O)cc1 ZINC000001860339 EF Annotated Mild COc1cccc(/C=N/n2c(Cc3ccc(Cl)cc3)n[nH]c2=O)c1 ZINC000001860344 EF Annotated Mild CCN(CC)C(=S)SS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001860818 EF Annotated Reactive CSc1ncc2c(n1)[C@@H](C#N)[C@H]1Sc3ccccc3N1C2=O ZINC000001861452 EF Annotated Mild CSc1ncc2c(n1)[C@@H](C#N)[C@@H]1Sc3ccccc3N1C2=O ZINC000001861453 EF Annotated Mild CSc1ncc2c(n1)[C@H](C#N)[C@H]1Sc3ccccc3N1C2=O ZINC000001861454 EF Annotated Mild CSc1ncc2c(n1)[C@H](C#N)[C@@H]1Sc3ccccc3N1C2=O ZINC000001861455 EF Annotated Mild O=C1Sc2ccc(Br)cc2C(=O)N2CSC[C@@H]12 ZINC000001862218 EF Annotated Anodyne Cc1c(C#N)c2nnn(-c3ccccc3)c(=O)n2c1-c1ccccc1 ZINC000001862653 EF Annotated Mild COc1ccc(CC(=O)N2CC[C@@]3(C)CC(=O)CC=C23)cc1OC ZINC000001863625 EF Annotated Anodyne C[C@H]1CNC(c2ccc(COc3ccc(C4=N[C@H](C)CN4)cc3)cc2)=N1 ZINC000001864733 EF Annotated Anodyne C[C@@H]1CNC(c2ccc(COc3ccc(C4=N[C@H](C)CN4)cc3)cc2)=N1 ZINC000001864735 EF Annotated Anodyne CCCCN1C(=O)NC(=O)/C(=C/N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)C1=O ZINC000001893884 EF Annotated Clean Cc1c(C)c2c(c(C)c1O)C[C@@H](CCn1ccc(=O)c(O)c1C)O2 ZINC000001996885 EF Annotated Anodyne COc1ccc([C@]23CCC4=C(CCC(=O)N4)[C@H]2N(C)CC3)cc1OC ZINC000015045079 EF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000015055012 EF Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000015055015 EF Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000015055018 EF Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000015055021 EF Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000015055045 EF Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000015055048 EF Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000015055051 EF Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000015055054 EF Annotated Anodyne in-man C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@](C)(O)C1=CC=C(C)[C@H]12 ZINC000015060148 EF Annotated Mild in-man endogenous C=C1C(=O)O[C@@H]2[C@H]1C[C@H](OC(=O)/C(C)=C/C)[C@](C)(O)C1=CC=C(C)[C@H]12 ZINC000015060149 EF Annotated Mild in-man endogenous C=C1C(=O)O[C@@H]2[C@@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@](C)(O)C1=CC=C(C)[C@H]12 ZINC000015060150 EF Annotated Mild in-man endogenous C=C1C(=O)O[C@@H]2[C@@H]1C[C@H](OC(=O)/C(C)=C/C)[C@](C)(O)C1=CC=C(C)[C@H]12 ZINC000015060151 EF Annotated Mild in-man endogenous C=C[C@]1(C)C=C2[C@@H](O)C[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@]2(O)C(=O)C1 ZINC000015060772 EF Annotated Mild C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H](O)[C@H]3O ZINC000015060946 EF Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H](O)[C@H]3O ZINC000015060947 EF Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H](O)[C@H]3O ZINC000015060948 EF Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H](O)[C@H]3O ZINC000015060949 EF Annotated Mild in-man endogenous C=C1[C@@H](O)C[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1C/C=C1\CCOC1=O ZINC000015061258 EF Annotated Mild CCc1csc(CNC(=O)c2ccc(NC3CCOCC3)nc2)n1 ZINC000015066118 EF Annotated Anodyne Fc1ccc(C[C@@H]2CN(Cc3ccc4nonc4c3)CCO2)cc1 ZINC000015066337 EF Annotated Anodyne Fc1ccc(C[C@H]2CN(Cc3ccc4nonc4c3)CCO2)cc1 ZINC000015066338 EF Annotated Anodyne Cc1cc(C)n(CCN(C)c2nncc(-c3cccc(F)c3)n2)n1 ZINC000015071863 EF Annotated Anodyne CC1=C(CCC2=CC(=O)O[C@@H]2O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H](O)C1=O ZINC000015110632 EF Annotated Mild CC1=C(CCC2=CC(=O)O[C@H]2O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H](O)C1=O ZINC000015110634 EF Annotated Mild in-vitro biogenic CC(C)(O)[C@H](O)Cc1c(O)ccc2c1O[C@H](c1ccc(O)cc1)CC2 ZINC000015115025 EF Annotated Anodyne C=C1C(=O)C2=C[C@H]1CCC(=O)[C@]1(C)[C@@H](O)CCC(C)(C)[C@H]1C[C@H]2O ZINC000015116647 EF Annotated Mild in-vitro biogenic C=C1C(=O)C2=C[C@H]1CCC(=O)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C[C@H]2O ZINC000015116677 EF Annotated Mild C=C1C(=O)C2=C[C@H]1C[C@H](O)C(=O)[C@]1(C)CCCC(C)(C)[C@H]1C[C@H]2O ZINC000015116712 EF Annotated Mild in-vitro biogenic C=C1C(=O)C2=C[C@@H]1C[C@@H](O)C(=O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2O ZINC000015116714 EF Annotated Mild in-vitro biogenic COC(=O)c1c(OC)ccc2oc3cccc(OC(C)=O)c3c(=O)c12 ZINC000015119055 EF Annotated Bother COc1cc2c(c(OC)c1[C@@H](O)C[C@H](O)c1ccccc1)OCO2 ZINC000015119305 EF Annotated Anodyne COc1cc(OC(C)(C)C=O)c(C=O)c2[nH]c3ccccc3c(=O)c12 ZINC000015119325 EF Annotated Mild COc1cc(CO)c(CO)c(O)c1C/C=C(\C)C[C@@H](O)C=C(C)C ZINC000015120512 EF Annotated Anodyne C=C(C)[C@@H]1CCC2=C[C@H](C[C@@]3(C)O[C@@H]3C(=O)/C=C(\C)C(=O)C1)OC2=O ZINC000015121676 EF Annotated Mild C/C=C(\C)C(=O)O[C@@H]1C[C@@](C)(O)c2coc(C)c2[C@@H]2OC(=O)[C@@H](C)[C@@H]12 ZINC000015149492 EF Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C[C@@](C)(O)c2coc(C)c2[C@@H]2OC(=O)[C@@H](C)[C@@H]12 ZINC000015149494 EF Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C[C@](C)(O)c2coc(C)c2[C@@H]2OC(=O)[C@@H](C)[C@@H]12 ZINC000015149497 EF Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C[C@](C)(O)c2coc(C)c2[C@@H]2OC(=O)[C@@H](C)[C@@H]12 ZINC000015149499 EF Annotated Anodyne in-man CC(=O)O[C@H](Cc1cc2cc3ccoc3cc2oc1=O)C(C)(C)O ZINC000015150237 EF Annotated Anodyne CS[C@]1(Cc2ccccc2)NC(=O)/C(=C/c2ccccc2)NC1=O ZINC000015150938 EF Annotated Anodyne Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@@]1(C)[C@@]3(O[C@@H]3CC[C@@]1(C)O)C2=O ZINC000015157822 EF Annotated Anodyne C[C@@H]1C[C@@H](O)C2=C(CO)CCC[C@@H]2[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000015158766 EF Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CCC(C)=C1[C@@H]2[C@]2(C)O[C@H]1[C@@H]2OC(=O)[C@H](C)CC ZINC000015164295 EF Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CCC(C)=C1[C@@H]2[C@]2(C)O[C@H]1[C@@H]2OC(=O)[C@@H](C)CC ZINC000015164297 EF Annotated Mild C=C[C@@]1(C)C(=O)C=C2[C@@]3(C)CC(=O)[C@H](O)C(C)(C)[C@H]3CC[C@]23O[C@@H]31 ZINC000015166460 EF Annotated Mild in-man endogenous C=C[C@@]1(C)C(=O)C=C2[C@@]3(C)CC(=O)[C@@H](O)C(C)(C)[C@H]3CC[C@]23O[C@@H]31 ZINC000015166462 EF Annotated Mild in-man endogenous C=C[C@@]1(C)C(=O)C=C2[C@]3(CC[C@@H]4C(C)(C)[C@@H](O)C(=O)C[C@@]24C)O[C@@H]31 ZINC000015166464 EF Annotated Mild in-man endogenous C=C[C@@]1(C)C(=O)C=C2[C@]3(CC[C@@H]4C(C)(C)[C@H](O)C(=O)C[C@@]24C)O[C@@H]31 ZINC000015166466 EF Annotated Mild in-man endogenous C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@@]1(COC(=O)C1)O2 ZINC000015167626 EF Annotated Anodyne C=C(C)[C@H]1CCC2=C[C@@H](C[C@@]3(C)CC(=O)[C@@H](CC(=O)C1)O3)OC2=O ZINC000015169872 EF Annotated Mild C=C(C)[C@H]1CCC2=C[C@H](C[C@@]3(C)CC(=O)[C@@H](CC(=O)C1)O3)OC2=O ZINC000015169876 EF Annotated Mild C[C@@H]1C(=O)C[C@@]23COC(=O)C2=C[C@@H](O)C[C@@H]3[C@@]1(C)CCc1ccoc1 ZINC000015193736 EF Annotated Anodyne C[C@]12CCC[C@@]3(C)[C@H]1[C@@H](C[C@](C)(O)[C@]3(O)CCc1ccoc1)OC2=O ZINC000015198633 EF Annotated Anodyne in-vitro biogenic CC1(C)[C@H]2C[C@H](O)[C@@]3(C)Oc4cc5oc(=O)ccc5c(O)c4[C@@H]1[C@@H]23 ZINC000015203218 EF Annotated Anodyne CC1(C)[C@@H]2[C@@H]3[C@H]1c1c(cc4oc(=O)ccc4c1O)O[C@]3(C)C[C@H]2O ZINC000015203228 EF Annotated Anodyne COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC(=O)N3C=C2 ZINC000015203599 EF Annotated Anodyne COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC[N+]3([O-])CC2 ZINC000015203648 EF Annotated Bother COc1cc2c(cc1OC)[C@@]13C[C@@H](OC)C=CC1=CC[N+]3([O-])CC2 ZINC000015203652 EF Annotated Bother COC(=O)c1cc2c(cc1OC)CCN1CCC3=CC[C@H](OC)C[C@]321 ZINC000015203814 EF Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@H](OC)CN1CC=C3C=C[C@H](OC)C[C@]321 ZINC000015203958 EF Annotated Anodyne COc1cc2c(cc1O)[C@@H]1Cc3cc4c(cc3[C@H](C2)[N+]1(C)[O-])OCO4 ZINC000015204428 EF Annotated Bother in-vitro biogenic COc1cc2c(cc1O)[C@H]1Cc3cc4c(cc3[C@@H](C2)[N+]1(C)[O-])OCO4 ZINC000015204429 EF Annotated Bother COc1cc2c(cc1O)C[C@@H]1c3cc4c(cc3C[C@H]2[N+]1(C)[O-])OCO4 ZINC000015204437 EF Annotated Bother in-vitro biogenic COc1cc2c(cc1O)C[C@H]1c3cc4c(cc3C[C@@H]2[N+]1(C)[O-])OCO4 ZINC000015204438 EF Annotated Bother in-vitro biogenic C[N+]1([O-])[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000015204441 EF Annotated Bother COc1ccc(/C=C2\COc3cc(O)c(OC)c(O)c3C2=O)cc1 ZINC000015206094 EF Annotated Mild in-vitro biogenic COc1cc2c3c(c1OC)C1=CC[C@H](O)CC=C(O1)[C@H]3N(C)CC2 ZINC000015212415 EF Annotated Anodyne COc1cccc2c3c(c(=O)n(COC(C)=O)c12)C=CC(C)(C)O3 ZINC000015216876 EF Annotated Anodyne C=Cc1cncc(C(=O)OC)c1CCOC(=O)c1ccc(O)cc1 ZINC000015217359 EF Annotated Anodyne COc1ccc([C@H]2COc3c(ccc(O)c3C=O)C2)c(OC)c1O ZINC000015217530 EF Annotated Anodyne CC#CC#C[C@@H](OC(=O)CC(C)C)c1cccc(O)c1C(=O)OC ZINC000015218727 EF Annotated Mild CC(=O)Cc1cc(=O)c2c(C)cc(O)c(CC(=O)c3ccco3)c2o1 ZINC000015221884 EF Annotated Anodyne COc1cc2nc3occc3c(OC[C@H](O)C(C)(C)O)c2cc1OC ZINC000015222515 EF Annotated Anodyne COc1ccc2c(OC[C@H](O)C(C)(C)O)c3ccoc3nc2c1OC ZINC000015222575 EF Annotated Anodyne C[C@@H]1Cc2c(c(O)cc3cc4c(c(O)c23)OC(=O)C4(C)C)C(=O)O1 ZINC000015252641 EF Annotated Anodyne C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000015256236 EF Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000015256240 EF Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000015256243 EF Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000015256248 EF Annotated Mild in-man endogenous COc1c(OC)c2c3c(nccc3c1OC)-c1cc(O)c(=O)ccc1-2 ZINC000015263382 EF Annotated Anodyne C=CC(C)(C)c1cc2cc(C[C@H](O)C(C)(C)O)c(OC)cc2oc1=O ZINC000015263548 EF Annotated Mild COc1cc(-c2cc(=O)c3cccc(OC)c3n2C)cc2c1OCO2 ZINC000015263557 EF Annotated Anodyne COc1c2c3c(c4c1OCO4)-c1ccccc1[C@H](O)[C@H]3N(C)CC2 ZINC000015265630 EF Annotated Anodyne CC(C)(O)[C@H](O)COc1ccc(-c2cnc(-c3cccnc3)o2)cc1 ZINC000015266391 EF Annotated Anodyne CC(C)=CC[C@H]([C@@H]1O[C@@]12C(=O)Nc1ccccc1C2=O)C(C)(C)O ZINC000015267422 EF Annotated Anodyne in-vitro biogenic CC1=C2C=C3CC[C@@H]4C(C)(C)[C@H](O)C(=O)C[C@@]4(C)[C@@H]3C[C@@H]2OC1=O ZINC000015268615 EF Annotated Anodyne CC(=O)O[C@H](COc1c2occc2cc2ccc(=O)oc12)C(C)(C)O ZINC000015273412 EF Annotated Anodyne COc1c2c(c3c4c(nccc14)C(=O)c1ccc4c(c1-3)OCO4)OCO2 ZINC000015273864 EF Annotated Anodyne COC(=O)[C@@H]1C[C@]23C=CCN4CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@@H]43 ZINC000150008695 EF Annotated Anodyne Cn1cc(Br)c(Nc2ccc([C@@H]3CNCCO3)cc2)n1 ZINC000150039252 EF Annotated Anodyne Cn1cc(Br)c(Nc2ccc([C@H]3CNCCO3)cc2)n1 ZINC000150039478 EF Annotated Anodyne CC#CC#CC#C/C=C/C=C/[C@H](CCOC(C)=O)OC(=O)/C(C)=C\C ZINC000150245723 EF Annotated Mild Fc1ccc(-c2cnc3nnn(Cc4ccc5nccn5c4)c3n2)cc1 ZINC000150264671 EF Annotated Anodyne Cc1c(N2CCCC2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000150568779 EF Annotated Anodyne CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(N)c(N3CCCC3)cc21 ZINC000150589064 EF Annotated Anodyne C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@@H]2C1=CCC(C)=C1C(=O)C=C(C)[C@H]12 ZINC000153529477 EF Annotated Mild COc1cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc(Cl)c1O ZINC000154783248 EF Annotated Anodyne O=C1COc2cc3[nH]c(-c4ccc(Br)o4)nc3cc2N1 ZINC000154793033 EF Annotated Anodyne CCOc1ccc(CNc2nc3nc4c(c(O)n3n2)CCCC4)cc1 ZINC000015668942 EF Annotated Anodyne COc1ccc(OC)c(CNc2nc3nc(C(C)C)cc(O)n3n2)c1 ZINC000015668958 EF Annotated Anodyne CCc1cc(O)n2nc(NCc3ccc(OC(C)C)cc3)nc2n1 ZINC000015668982 EF Annotated Anodyne CSc1ccc(CNc2nc3nc4c(c(O)n3n2)CCC4)cc1 ZINC000015669038 EF Annotated Anodyne CC(C)[C@@H]1C(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccco3)cc21 ZINC000015728336 EF Annotated Anodyne Cc1ccc(CNc2nccn(-c3ccc4c(c3)OCCO4)c2=O)cc1 ZINC000015732442 EF Annotated Anodyne CC(C)CN1CCc2nc(Nc3ccc4c(c3)OCO4)ncc2C1 ZINC000015779148 EF Annotated Anodyne CCCN1CCc2nc(Nc3ccc4c(c3)OCCO4)ncc2C1 ZINC000015779229 EF Annotated Anodyne CCOCc1nc(N2CCCC2)sc1C(=O)NCCc1ccco1 ZINC000015825261 EF Annotated Anodyne Cc1cc(C(=O)N/N=C\C=C\c2ccc(Br)cc2)[nH]n1 ZINC000015837367 EF Annotated Reactive CC1=CC(=O)/C(=C/NNC(=O)c2c(-c3ccccc3)noc2C)C=C1 ZINC000015880035 EF Annotated Reactive O=C(CNC(=O)Cc1ccccc1)/N=N\c1c(O)[nH]c2ccccc12 ZINC000015884913 EF Annotated Clean CC1=CC=C/C(=C\NNC(=O)c2c(-c3ccccc3)noc2C)C1=O ZINC000015885198 EF Annotated Reactive Cc1cc(C)n2nc(SCC(=O)N[C@H]3CCC[C@@H](C)[C@H]3C)nc2n1 ZINC000015895328 EF Annotated Anodyne O=C1c2nc3cc(-c4ccco4)nn3c(O)c2CN1C1CCCCC1 ZINC000015923331 EF Annotated Anodyne CC(C)(C)c1cc2nc3c(c(O)n2n1)CN(Cc1ccccc1)C3=O ZINC000015923336 EF Annotated Anodyne COC(=O)N1C(=O)[C@@](c2ccccc2)(C2CCCC2)N1C(=O)OC ZINC000015924620 EF Annotated Anodyne COC(=O)N1C(=O)[C@](c2ccc(Cl)cc2)(C(C)C)N1C(=O)OC ZINC000015924779 EF Annotated Anodyne CN[C@@H](C)C#Cc1c(-c2cc(OC)c(OC)c(OC)c2)noc1C ZINC000015934018 EF Annotated Mild CN[C@H](C)C#Cc1c(-c2cc(OC)c(OC)c(OC)c2)noc1C ZINC000015934019 EF Annotated Mild CC[C@@H]1COCCS(=O)(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000015935045 EF Annotated Anodyne CC[C@H]1COCCS(=O)(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000015935046 EF Annotated Anodyne O=S1(=O)CCO[C@H]2Cc3ccccc3[C@H]2N1Cc1ccccc1F ZINC000015935144 EF Annotated Anodyne O=S1(=O)CCO[C@H]2Cc3ccccc3[C@H]2N1Cc1ccc(F)cc1 ZINC000015935165 EF Annotated Anodyne O=S1(=O)CCO[C@H]2Cc3ccccc3[C@H]2N1Cc1cccc(F)c1 ZINC000015937141 EF Annotated Anodyne O=S1(=O)CCO[C@H]2Cc3ccccc3[C@H]2N1Cc1ccccc1 ZINC000015937230 EF Annotated Anodyne Cc1ccc(CN2[C@@H](c3ccccc3)COCCS2(=O)=O)cc1 ZINC000015937240 EF Annotated Anodyne Cc1ccccc1CN1[C@@H]2c3ccccc3C[C@@H]2OCCS1(=O)=O ZINC000015937254 EF Annotated Anodyne Cc1ccc(CN2[C@@H]3c4ccccc4C[C@@H]3OCCS2(=O)=O)cc1 ZINC000015937307 EF Annotated Anodyne O=S1(=O)CCOC[C@H](c2ccccc2)N1Cc1ccccc1F ZINC000015937315 EF Annotated Anodyne CCOC(=O)/C=C1\CN(CCC(C)C)S(=O)(=O)c2ccccc21 ZINC000015937345 EF Annotated Anodyne O=S1(=O)CCOC[C@H](c2ccccc2)N1Cc1cccc(F)c1 ZINC000015937359 EF Annotated Anodyne CCOc1cc(C(=O)/N=c2\sccn2C)ccc1OC(F)F ZINC000015940893 EF Annotated Anodyne COCCNC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 ZINC000015952399 EF Annotated Clean COCCNC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 ZINC000015952400 EF Annotated Clean COCCNC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@H]21 ZINC000015952401 EF Annotated Clean COCCNC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@@H]12 ZINC000015952402 EF Annotated Clean COc1ccc2c(c1)/C(=C/NNS(=O)(=O)c1ccc(C)cc1)C=N2 ZINC000015952664 EF Annotated Anodyne CC1=CC(=O)/C(=C/NOCc2ccc(Cl)cc2Cl)C(=O)O1 ZINC000015953339 EF Annotated Mild COC(=O)C[C@H]1c2cc(F)ccc2S(=O)(=O)N1Cc1ccccc1 ZINC000015962591 EF Annotated Anodyne COC1=C/C(=C/NNc2ncnc3sc4c(c23)CCC4)C=CC1=O ZINC000015973722 EF Annotated Mild CN1c2ccccc2C(=O)/C(=C(/S)Nc2ccccc2)S1(=O)=O ZINC000015974436 EF Annotated Mild Cc1ccc(N/N=C2\C(=N)Nn3c2nc(-c2ccccc2)cc3=O)cc1 ZINC000015974445 EF Annotated Mild CCc1ccc(/C(C)=N\NC(=O)CNC(=O)/C=C/c2ccco2)cc1 ZINC000015974474 EF Annotated Reactive O=C(NNc1cc(C(F)(F)F)ccc1Cl)c1ccc(=O)[nH]c1 ZINC000015982135 EF Annotated Reactive Cc1ccc(C(=O)O/N=C2/CCS(=O)(=O)c3sccc32)cc1 ZINC000015986962 EF Annotated Mild Cc1cccc(C(=O)O/N=C2/CCS(=O)(=O)c3sccc32)c1 ZINC000015986969 EF Annotated Mild O=C(N/N=C\c1ccc(N2CCCCC2)o1)c1ccccc1[N+](=O)[O-] ZINC000015989510 EF Annotated Reactive CC(=O)OCC1=C2CC/C(C)=C/C[C@H](OC(C)=O)/C(C)=C/[C@H]2OC1=O ZINC000155815106 EF Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\COC(C)=O)CC/C=C(\COC(C)=O)CC[C@@H]12 ZINC000155830423 EF Annotated Mild biogenic C=C(C)C(=O)OC/C1=C\CC/C(CO)=C/[C@H]2OC(=O)C(=C)[C@@H]2CC1 ZINC000155830696 EF Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)C(C)C)=C/C[C@@H]12 ZINC000155831978 EF Annotated Mild C=C1C(=O)O[C@H]2C/C(C=O)=C\CC/C(COC(=O)C(C)C)=C/C[C@H]12 ZINC000155833200 EF Annotated Reactive C=C1[C@H]2CC[C@@]3(CC[C@@H]4[C@]5(C)CCC[C@]4(C=[N+](CCO)C5)[C@H]3C2)[C@H]1O ZINC000016027630 EF Annotated Mild CCCCCCO[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000016036485 EF Annotated Anodyne O/N=C\c1cccc[n+]1CCCCCCC[n+]1ccccc1/C=N/O ZINC000016052240 EF Annotated Mild NC(=O)c1cc[n+](CCCCCCN2C=CC(=CN=O)C=C2)cc1 ZINC000162066657 EF Annotated Anodyne OC[C@@H]1O[C@@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]12 ZINC000016891129 EF Annotated Anodyne OC[C@H]1O[C@@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]12 ZINC000016891132 EF Annotated Anodyne OC[C@H]1O[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]12 ZINC000016891135 EF Annotated Anodyne CC1=NN(C(N)=S)C(=O)[C@H]1/N=N\c1cc(Cl)ccc1Cl ZINC000016925827 EF Annotated Clean N#Cc1ccc(-c2csc(CC(=S)N3CCOCC3)n2)cc1 ZINC000016940225 EF Annotated Anodyne CSc1ccc(-c2csc(CC(=O)N3CCOCC3)n2)cc1 ZINC000016940785 EF Annotated Anodyne COc1cc2ccnc3c2c(c1OC)C[C@@H]1C[C@H](O)[C@@H](OC)C[C@@H]31 ZINC000016953270 EF Annotated Anodyne C[C@@H](Cc1ccccc1)N(C)Cc1nc([C@@H]2CC[C@@H]([N+](=O)[O-])O2)no1 ZINC000016958543 EF Annotated Bother COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1COC[C@@H]12 ZINC000016958751 EF Annotated Anodyne CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1cc[n+]([O-])c2ccc(OC)cc12 ZINC000016975349 EF Annotated Anodyne C/C=C1/CN2CC[C@]34C(=Nc5ccc(O)cc53)[C@@H]2C[C@@H]1[C@H]4C(=O)OC ZINC000165823977 EF Annotated Anodyne CC(C)=CC/C=C(\CO)[C@H]1CC[C@@]2(C)C[C@](O)(CC[C@H]2O)[C@@H]1CO ZINC000166357422 EF Annotated Anodyne CC(C)C1=CC(=O)[C@@]2(C)C(=O)C[C@@]3(C)CC(=O)[C@]4(C)O[C@@H]4C[C@@H]3[C@@H]12 ZINC000166575803 EF Annotated Mild O=C(NO)c1cnc(NC2(c3ccccc3C(F)(F)F)CC2)nc1 ZINC000166612771 EF Annotated Anodyne O=C(NO)c1cnc(NC2(c3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000166623926 EF Annotated Anodyne O=C(NO)c1cnc(NC2(c3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000166667988 EF Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C[C@H](O)C[C@@]2(C)CO)[C@@H]1CCC1=CCOC1=O ZINC000166783145 EF Annotated Mild COc1cc(CNc2cncc3c(C(N)=O)cccc23)cc(OC)c1 ZINC000166903235 EF Annotated Anodyne NC1=N[C@@]2(c3ccccc3OC(F)(F)F)COCC[C@H]2CS1 ZINC000167537265 EF Annotated Anodyne N#Cc1cccc(N2CC[C@H](S(=O)(=O)c3ccccc3Cl)C2)n1 ZINC000168640564 EF Annotated Mild COc1cc(NS(=O)(=O)CC(C)C)ccc1-c1cncnc1C ZINC000169185039 EF Annotated Anodyne O=C(NO)c1ccc(N[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000169231650 EF Annotated Anodyne O=C(NO)c1ccc(N[C@H]2CCN(c3ccccc3Cl)C2=O)cc1 ZINC000169231725 EF Annotated Anodyne C/C1=C/[C@H](O)C/C(C)=C\[C@H](O)C(=O)/C(C)=C\[C@H]2[C@@H](CC1)[C@]2(C)CO ZINC000169290562 EF Annotated Mild C/C1=C/[C@H](O)C(=O)/C(C)=C\[C@H]2[C@@H](CC/C(C)=C/[C@H](O)C1)[C@]2(C)CO ZINC000169290563 EF Annotated Mild C/C1=C/[C@H](O)C/C(C)=C/[C@H](O)C(=O)/C(C)=C\[C@H]2[C@@H](CC1)[C@]2(C)CO ZINC000169290564 EF Annotated Mild C/C1=C/[C@H]2[C@@H](CC/C(C)=C/[C@H](O)C/C(C)=C/[C@H](O)C1=O)[C@]2(C)CO ZINC000169290565 EF Annotated Mild CC1=CC(=O)[C@@H]2[C@@H](C)CO[C@]3(C)[C@H]4O[C@@H](C/C(C)=C/C[C@H]3O)[C@H]1[C@@H]42 ZINC000169290767 EF Annotated Mild C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2/C=C(/C)C[C@H]2C=C(CCC1=O)C(=O)O2 ZINC000169292446 EF Annotated Mild C=C(C)[C@@H]1CCC2=C[C@H](C[C@@]3(C)O[C@@H]3C(=O)/C=C(/C)C(=O)C1)OC2=O ZINC000169292964 EF Annotated Mild CC1(C)O[C@H]2C3=C4[C@@H](CCC[C@@]42O1)[C@H](C(C)(C)O)C=C/C=C/3CO ZINC000169295480 EF Annotated Anodyne CC1(C)O[C@H]2C3=C4[C@@H](CCC[C@@]42O1)[C@H](C(C)(C)O)/C=C/C=C3CO ZINC000169295481 EF Annotated Anodyne CC1(C)O[C@H]2C3=C4[C@@H](CCC[C@@]42O1)[C@H](C(C)(C)O)/C=C/C=C/3CO ZINC000169295482 EF Annotated Anodyne CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2C[C@@H]3C=C[C@@H]2C3)cc1 ZINC000169295705 EF Annotated Anodyne CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H]2C[C@@H]3C=C[C@@H]2C3)cc1 ZINC000169295706 EF Annotated Anodyne CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H]2C[C@@H]3C=C[C@@H]2C3)cc1 ZINC000169295707 EF Annotated Anodyne CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2C[C@@H]3C=C[C@@H]2C3)cc1 ZINC000169295708 EF Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C=CCN4CC[C@@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@@H]43 ZINC000169295710 EF Annotated Anodyne COC(=O)[C@H]1C[C@@]23C=CCN4CC[C@@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@@H]43 ZINC000169295711 EF Annotated Anodyne COC(=O)[C@@H]1C[C@]23C=CCN4CC[C@@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@@H]43 ZINC000169295712 EF Annotated Anodyne COC(=O)[C@H]1C[C@]23C=CCN4CC[C@@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@@H]43 ZINC000169295713 EF Annotated Anodyne C=C1C(=O)O[C@H]2C(=O)/C(C)=C\CC/C(C)=C\CC[C@@]3(C=O)O[C@@H]3C[C@H]12 ZINC000169297484 EF Annotated Mild C=C1C(=O)O[C@H]2C(=O)/C(C)=C/CC/C(C)=C\CC[C@@]3(C=O)O[C@@H]3C[C@H]12 ZINC000169297486 EF Annotated Mild C=C1C(=O)O[C@H]2C(=O)/C(C)=C\CC/C(C)=C/CC[C@@]3(C=O)O[C@@H]3C[C@H]12 ZINC000169297488 EF Annotated Mild Cc1nc2sc([C@@H](c3ccco3)N3C[C@H](C)O[C@@H](C)C3)c(O)n2n1 ZINC000169298540 EF Annotated Anodyne C[C@]12C[C@@H]3O[S@@](=O)O[C@@H]3C[C@@H]3[C@@H]4[C@H]([C@@H](OCc5ccccc5)[C@@H]31)[C@@H]42 ZINC000169298690 EF Annotated Mild C[C@@]12C[C@@H]3O[S@@](=O)O[C@@H]3C[C@@H]3[C@@H]4[C@H]([C@@H](OCc5ccccc5)[C@@H]31)[C@@H]42 ZINC000169298691 EF Annotated Mild C[C@]12C[C@H]3O[S@@](=O)O[C@@H]3C[C@@H]3[C@@H]4[C@H]([C@@H](OCc5ccccc5)[C@@H]31)[C@@H]42 ZINC000169298692 EF Annotated Mild C[C@@]12C[C@H]3O[S@@](=O)O[C@@H]3C[C@@H]3[C@@H]4[C@H]([C@@H](OCc5ccccc5)[C@@H]31)[C@@H]42 ZINC000169298693 EF Annotated Mild C=C1C(=O)O[C@H]2C(=O)/C(C)=C\CC/C(C)=C\CC[C@@]3(CO)O[C@@H]3C[C@H]12 ZINC000169298796 EF Annotated Mild C=C1C(=O)O[C@H]2C(=O)/C(C)=C/CC/C(C)=C\CC[C@@]3(CO)O[C@@H]3C[C@H]12 ZINC000169298797 EF Annotated Mild C=C1C(=O)O[C@H]2C(=O)/C(C)=C\CC/C(C)=C/CC[C@@]3(CO)O[C@@H]3C[C@H]12 ZINC000169298798 EF Annotated Mild Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@@H](C(=O)NCC2CC2)N(C)[C@@H]31 ZINC000169299426 EF Annotated Anodyne O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1C[C@@H]1OCCc2ccccc21 ZINC000169299886 EF Annotated Anodyne COC1=C(OC)C2=C(CC1)C[C@@H]1[C@@H]3C[C@@H]4OCO[C@@H]4C[C@@H]3CCN1C2 ZINC000169300112 EF Annotated Anodyne COC1=C(OC)C2=C(CC1)C[C@H]1[C@@H]3C[C@@H]4OCO[C@@H]4C[C@@H]3CCN1C2 ZINC000169300113 EF Annotated Anodyne COC1=C(OC)C2=C(CC1)C[C@@H]1[C@H]3C[C@@H]4OCO[C@@H]4C[C@@H]3CCN1C2 ZINC000169300114 EF Annotated Anodyne COC1=C(OC)C2=C(CC1)C[C@H]1[C@H]3C[C@@H]4OCO[C@@H]4C[C@@H]3CCN1C2 ZINC000169300115 EF Annotated Anodyne CN1[C@H]2c3ccccc3[C@H]3[C@H]1[C@H]1c4ccccc4[C@H]3N(C)[C@H]1[C@@H]2[N+](=O)[O-] ZINC000169301908 EF Annotated Bother CC1=C(C(=O)c2ccccc2)[C@H]([C@@H]2C=N[C@@H]3C=CC=C[C@@H]32)NC(=O)N1 ZINC000169302044 EF Annotated Mild O=C1OC(=O)/C(=C\NCCC2=CCCCC2)C=C1Br ZINC000169303126 EF Annotated Reactive COc1cccc([C@@H]2[C@@H](C)CC[C@@H]3C(=O)N(C)[C@@H](C(C)C)C(=O)N23)c1 ZINC000169303168 EF Annotated Anodyne COc1cccc([C@H]2[C@@H](C)CC[C@@H]3C(=O)N(C)[C@@H](C(C)C)C(=O)N32)c1 ZINC000169303169 EF Annotated Anodyne COc1cccc([C@@H]2[C@H](C)CC[C@@H]3C(=O)N(C)[C@@H](C(C)C)C(=O)N23)c1 ZINC000169303170 EF Annotated Anodyne COc1cccc([C@H]2[C@H](C)CC[C@@H]3C(=O)N(C)[C@@H](C(C)C)C(=O)N32)c1 ZINC000169303172 EF Annotated Anodyne COC(=O)c1cc(F)cnc1N1CCC(NC2CCCCC2)CC1 ZINC000169303453 EF Annotated Anodyne O=c1c2ccccc2nc2sc(Nc3ccc4c(c3)CNC4)nn12 ZINC000169304238 EF Annotated Anodyne O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2C(=O)N1CCO ZINC000169304370 EF Annotated Anodyne O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1CCO ZINC000169304371 EF Annotated Anodyne CC(=O)C[C@@H]1O[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(C)cc1 ZINC000169304710 EF Annotated Anodyne CC(=O)C[C@@H]1O[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(C)cc1 ZINC000169304711 EF Annotated Anodyne CC(=O)C[C@@H]1O[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(C)cc1 ZINC000169304712 EF Annotated Anodyne CC(=O)C[C@@H]1O[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(C)cc1 ZINC000169304713 EF Annotated Anodyne O=C1OC(=O)/C(=C\Nc2cnc3ccccc3c2)C=C1Br ZINC000169304748 EF Annotated Reactive CN1CCN(C)/C(=N/c2ccc(C#N)cc2C(=O)Nc2ccccc2)C1 ZINC000169305120 EF Annotated Mild CCN(CC)c1cc(NC(=O)c2ccc(Br)o2)ncn1 ZINC000169305444 EF Annotated Anodyne O=Cc1ccc(O[C@@H]2C=C[C@@H](C#Cc3ccccc3)O[C@@H]2CO)cc1 ZINC000169305898 EF Annotated Mild O=Cc1ccc(O[C@@H]2C=C[C@H](C#Cc3ccccc3)O[C@@H]2CO)cc1 ZINC000169305900 EF Annotated Mild COCCNC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@H]12 ZINC000169306253 EF Annotated Clean COCCNC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@H]12 ZINC000169306255 EF Annotated Clean ClC[C@H]1[C@@H]2C[C@@H]3[C@H]1CO[C@H]3[C@H]2n1cnc2c(Cl)ncnc21 ZINC000169306501 EF Annotated Reactive ClC[C@@H]1[C@@H]2C[C@H]3[C@@H](OC[C@@H]13)[C@H]2n1cnc2c(Cl)ncnc21 ZINC000169306503 EF Annotated Reactive ClC[C@H]1[C@@H]2C[C@@H]3[C@@H]1CO[C@H]3[C@H]2n1cnc2c(Cl)ncnc21 ZINC000169306505 EF Annotated Reactive ClC[C@@H]1[C@@H]2C[C@@H]3[C@@H]1CO[C@H]3[C@H]2n1cnc2c(Cl)ncnc21 ZINC000169306507 EF Annotated Reactive CN(C)c1ncnc2c1N=C(c1ccc(Br)cc1)CO2 ZINC000169307718 EF Annotated Anodyne S=C1N[C@H]2/C(=C/c3ccccc3)CNC[C@H]2[C@H](c2ccccc2)N1 ZINC000169308418 EF Annotated Anodyne S=C1N[C@H]2/C(=C/c3ccccc3)CNC[C@@H]2[C@H](c2ccccc2)N1 ZINC000169308420 EF Annotated Anodyne C[C@H](CO)[C@H]1CC(=O)[C@@H]2[C@H]3OCC4=C3[C@@](C)(CCC4=O)CC[C@@]21C ZINC000169309056 EF Annotated Mild C/C(Nc1ccccc1)=C1\C(=O)N2[C@H](C(C)(C)C)OC[C@@]2(C)C1=O ZINC000169309164 EF Annotated Mild O=C(Cn1ccccc1=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000169309835 EF Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@]12CC(c1ccccc1)=NN2 ZINC000169310805 EF Annotated Anodyne Cc1ccc(N2CCN(CCn3c([N+](=O)[O-])cnc3C)CC2)c(C)c1 ZINC000169311292 EF Annotated Bother N#Cc1ccc(N2C[C@H](CN)[C@@H](c3cc(F)ccc3F)CC2=O)cc1 ZINC000169312397 EF Annotated Mild C=C1C(=O)[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@]4(C)C(=O)N[C@H]1O[C@@H]3C[C@H]42 ZINC000169312933 EF Annotated Mild O=C(NCc1cccs1)Nc1cnc2ccc(Cl)cn2c1=O ZINC000169313102 EF Annotated Anodyne CC(=O)C[C@H](O)CC(=O)[C@H]1OC(=O)[C@H](C)C/C=C/Cc2ccccc21 ZINC000169314006 EF Annotated Anodyne O=C(O)CCCC(=O)O[C@@]12CCCC[C@@H]1[C@@H]1CCCC[C@@]1(O)OO2 ZINC000169314191 EF Annotated Reactive O=C(O)CCCC(=O)O[C@]12CCCC[C@@H]1[C@@H]1CCCC[C@@]1(O)OO2 ZINC000169314192 EF Annotated Reactive O=C(O)CCCC(=O)O[C@@]12CCCC[C@H]1[C@@H]1CCCC[C@@]1(O)OO2 ZINC000169314195 EF Annotated Reactive CCCCC(=O)n1c(OC)cc2c1=C(CN)[C@@H]1CCCC[C@@H](C)[C@@H]1C=2 ZINC000169314620 EF Annotated Anodyne CCCCC(=O)n1c(OC)cc2c1=C(CN)[C@@H]1CCCC[C@H](C)[C@@H]1C=2 ZINC000169314622 EF Annotated Anodyne CN1CCC/C1=N\C(=O)Nc1cccc(I)c1 ZINC000169315087 EF Annotated Mild Cc1ccc2oc(C(=O)Nc3nnn[nH]3)c(-c3ccccc3)c(=O)c2c1 ZINC000169315150 EF Annotated Anodyne O=C(/N=C1\N[C@@]2(CCCCO2)CCS1)c1ccc([N+](=O)[O-])cc1 ZINC000169316222 EF Annotated Mild O=C(/N=C1\N[C@]2(CCCCO2)CCS1)c1ccc([N+](=O)[O-])cc1 ZINC000169316223 EF Annotated Mild CC(C)CCn1c(=O)n(-c2ccc3c(c2)OCO3)c2ncccc21 ZINC000169316528 EF Annotated Anodyne O=c1n(Cc2ccccc2)c2cccnc2n1-c1ccc2c(c1)OCO2 ZINC000169316529 EF Annotated Anodyne CN(C)/C=N\c1cccc2c1C(=O)c1cccc(/N=C\N(C)C)c1C2=O ZINC000169319736 EF Annotated Mild CN(C)/C=N\c1ccc(/N=C\N(C)C)c2c1C(=O)c1ccccc1C2=O ZINC000169319738 EF Annotated Mild O=C1Nc2ccccc2[C@@]12[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@@H]1CCCN12 ZINC000169322063 EF Annotated Bother O=C1Nc2ccccc2[C@@]12[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@@H]1CCCN12 ZINC000169322065 EF Annotated Bother COc1ccc(CN2CCN(CC=C(C)C)[C@@H](CCCO)C2)cc1 ZINC000169323378 EF Annotated Anodyne N#Cc1cc2ccc(N3CCNCC3)cc2n2c1nc1ccccc12 ZINC000169324043 EF Annotated Mild C/C(=N/NC(=S)N1CCN(c2ccccc2)CC1)c1ccccn1 ZINC000169324958 EF Annotated Mild C/C(=N\OCC(=O)OCC(C)(C)N(C)C)c1ccc(Cl)cc1 ZINC000169325096 EF Annotated Mild Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1ccc([N+](=O)[O-])cc1Cl ZINC000169325772 EF Annotated Clean Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1ccc(Br)cc1 ZINC000169325783 EF Annotated Clean Cc1nn(C)c2nc3ccc([N+](=O)[O-])cc3c(NCCCN(C)C)c12 ZINC000169325929 EF Annotated Bother O=C(/C=C/c1ccc2cccc(O)c2n1)NC1=C(C(=O)O)CCCC1 ZINC000169326319 EF Annotated Anodyne CCOCn1c([C@@H](F)c2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O ZINC000169326862 EF Annotated Anodyne CCOCn1c([C@H](F)c2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O ZINC000169326863 EF Annotated Anodyne C=CCOCn1c([C@@H](F)c2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O ZINC000169326866 EF Annotated Mild C=CCOCn1c([C@H](F)c2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O ZINC000169326867 EF Annotated Mild Nc1cc(Br)cn2cc(Cc3ccccc3)c(=O)nc12 ZINC000169326950 EF Annotated Anodyne COc1cc(F)ccc1Cn1ccc2c3c(ncc21)C(=O)N(O)CC3 ZINC000169326987 EF Annotated Clean COc1cc(Cn2ccc3c4c(ncc32)C(=O)N(O)CC4)ccc1F ZINC000169327007 EF Annotated Clean Cc1nnc([S@@](=O)CC(=O)c2ccc(Br)cc2)s1 ZINC000169327173 EF Annotated Anodyne Cc1nnc([S@](=O)CC(=O)c2ccc(Br)cc2)s1 ZINC000169327176 EF Annotated Anodyne Cc1nnc([S@@](=O)CC(=O)c2ccc(C(F)(F)F)cc2)s1 ZINC000169327182 EF Annotated Anodyne Cc1nnc([S@](=O)CC(=O)c2ccc(C(F)(F)F)cc2)s1 ZINC000169327184 EF Annotated Anodyne COC(=O)C[C@@H]1Sc2nc3ccccc3n2[C@@]1(O)c1ccccc1 ZINC000169327363 EF Annotated Anodyne COC(=O)C[C@H]1Sc2nc3ccccc3n2[C@@]1(O)c1ccccc1 ZINC000169327365 EF Annotated Anodyne COC(=O)C[C@@H]1Sc2nc3ccccc3n2[C@]1(O)c1ccccc1 ZINC000169327366 EF Annotated Anodyne COC(=O)C[C@H]1Sc2nc3ccccc3n2[C@]1(O)c1ccccc1 ZINC000169327368 EF Annotated Anodyne Cc1nn(C)c2nc3cccc([N+](=O)[O-])c3c(NCCCN(C)C)c12 ZINC000169328093 EF Annotated Bother Cc1nn(C)c2nc3cc([N+](=O)[O-])ccc3c(NCCCN(C)C)c12 ZINC000169328095 EF Annotated Bother Cc1ccc(OCC(F)(F)F)c(C(=O)NC[C@@H]2CCCCN2)c1 ZINC000169328106 EF Annotated Anodyne Cc1ccc(OCC(F)(F)F)c(C(=O)NC[C@H]2CCCCN2)c1 ZINC000169328108 EF Annotated Anodyne CC(=O)O[C@@H]1CC2=C(CC(CN3CCCCC3)C2)C[C@H]1OC(C)=O ZINC000169328691 EF Annotated Anodyne N[C@@]1(C(=O)O)C[C@@H]2C[C@@H]1c1cc(N(CCCl)CCCl)ccc12 ZINC000169328900 EF Annotated Reactive Cc1nn(C)c2nc3ccccc3c(CCNCCCN(C)C)c12 ZINC000169329245 EF Annotated Anodyne CN[C@@H]1CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000169329383 EF Annotated Anodyne CN[C@H]1CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000169329385 EF Annotated Anodyne CN[C@@H]1CCN[C@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000169329387 EF Annotated Anodyne CN[C@H]1CCN[C@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000169329388 EF Annotated Anodyne COc1cccc2nc3c(c(C)nn3C)c(NCCCN(C)C)c12 ZINC000169329701 EF Annotated Anodyne Cc1[nH]n(C)c(=O)c1/C(=N/C(=O)C(F)(F)F)c1cccc(Cl)c1 ZINC000169330034 EF Annotated Mild C[N+](C)(C)Cc1ccc(C[N+](C)(C)C)c(I)c1 ZINC000169330358 EF Annotated Bother C=C[C@@H]1C(=C)CC[C@H]2[C@H]1CC(=O)[C@@]1(O)[C@@]3(C)C(=O)O[C@H]3CC[C@]21C ZINC000169330481 EF Annotated Mild C=C[C@@H]1C(=C)CC[C@H]2[C@H]1C[C@H]1OC(=O)[C@@]3(C)[C@H](O)CC[C@@]2(C)[C@@]13O ZINC000169330483 EF Annotated Mild C=CC1=CC[C@H]2[C@@H](CC(=O)[C@@]3(O)[C@@]4(C)C(=O)O[C@H]4CC[C@]23C)[C@H]1C ZINC000169330488 EF Annotated Anodyne CN1N=C2/C(=C/c3ccccc3)CN(C(=N)N)C[C@@H]2[C@@H]1c1ccccc1 ZINC000169331763 EF Annotated Anodyne CC(C)Nc1ncc2c(n1)CN(C(=O)NCc1cccc(F)c1)CC2 ZINC000169331843 EF Annotated Anodyne CC(=O)C[C@H](O)CC(=O)[C@@H]1OC(=O)[C@H](C)C/C=C/Cc2ccccc21 ZINC000169332010 EF Annotated Anodyne CCN(CC)C(=O)CCN(C)CCc1cc(OC)c(C)cc1OC ZINC000169332799 EF Annotated Anodyne COC(=O)[C@@H]1C[C@]23CCCN4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 ZINC000169332916 EF Annotated Anodyne COc1ccc(O[C@@H]2[C@@H](O)CO[C@@H]2/C=C\C#Cc2ccccc2)cc1 ZINC000169333471 EF Annotated Mild COc1ccc(O[C@H]2[C@@H](O)CO[C@@H]2/C=C\C#Cc2ccccc2)cc1 ZINC000169333474 EF Annotated Mild OCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccncc1)[C@@H]23 ZINC000169333638 EF Annotated Anodyne COc1ccc2c(c1)CO[C@@H]([C@@H](O)CO)[C@@H]2/C=C\c1ccccc1 ZINC000169334167 EF Annotated Anodyne COc1ccc2c(c1)CO[C@@H]([C@@H](O)CO)[C@@H]2/C=C/c1ccccc1 ZINC000169334169 EF Annotated Anodyne COc1ccc2c(c1)CO[C@H]([C@@H](O)CO)[C@@H]2/C=C\c1ccccc1 ZINC000169334170 EF Annotated Anodyne COc1ccc2c(c1)CO[C@H]([C@@H](O)CO)[C@@H]2/C=C/c1ccccc1 ZINC000169334172 EF Annotated Anodyne CCCc1nn(C)c2c1C(c1ccccc1Cl)=NCC(=O)N2C ZINC000169335522 EF Annotated Anodyne CC(=O)C[C@@H](O)CC(=O)[C@H]1OC(=O)[C@H](C)C/C=C/Cc2ccccc21 ZINC000169337390 EF Annotated Anodyne CC(=O)Oc1ccc(-c2nc(-c3ccncc3)no2)c([N+](=O)[O-])c1 ZINC000169337448 EF Annotated Bother C=CCN1C(=O)CS/C1=N\N=C\C=C\c1ccc([N+](=O)[O-])s1 ZINC000169338280 EF Annotated Mild CN[C@@H]1C[C@H](O)[C@@](C)(c2ccc(-c3ccccc3)cc2)O[C@@H]1OC ZINC000169339144 EF Annotated Anodyne CCOC(=O)CC[C@@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@H](O1)[C@@]34OO2 ZINC000169339382 EF Annotated Reactive CCOC(=O)CC[C@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@H](O1)[C@@]34OO2 ZINC000169339384 EF Annotated Reactive N#Cc1c(N2CCNCC2)c2ccccc2n2c1nc1ccccc12 ZINC000169339763 EF Annotated Mild O=C(O)COc1ccc(C=C2C(=O)C=CC2=O)c(Cl)c1Cl ZINC000169340614 EF Annotated Mild CN1CC[C@]2(CCCC2=O)[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000169341405 EF Annotated Anodyne Cc1ccc(-c2nc(-c3ccnc(N)n3)sc2C(N)=O)c(Cl)c1 ZINC000169342590 EF Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](O)C3=O ZINC000169342954 EF Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](O)C3=O ZINC000169342955 EF Annotated Anodyne Cc1cnc(C)c(C2=NCC(=O)Nc3ccc(Br)cc32)n1 ZINC000169343264 EF Annotated Anodyne CCCOc1cc(C(=O)O)cc(NC=O)c1C(=O)c1ccccc1 ZINC000169343302 EF Annotated Anodyne C/C(=N\OCC(=O)OCCN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000169344786 EF Annotated Mild COC(=O)/C=C/CNC(=O)c1sc(-c2ccccc2F)nc1C ZINC000169345851 EF Annotated Anodyne C=C1CC[C@@H]2[C@](C)(C=O)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000169346736 EF Annotated Mild O=Cc1c(O)ccc2c3c(c(=O)oc12)CN(Cc1ccccc1)CC3 ZINC000169347636 EF Annotated Anodyne CCN1C(=O)[C@@]23SS[C@@]1(C)C(=O)N2c1ccccc1C3(C)C ZINC000169347693 EF Annotated Reactive O=[N+]([O-])c1ccc(/C=N/Nc2cc(Cl)nc3c(Cl)cnn23)o1 ZINC000169347808 EF Annotated Mild O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCSCCCl ZINC000169347992 EF Annotated Reactive CCc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])o3)O2)cc1 ZINC000169348080 EF Annotated Bother CCc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])o3)O2)cc1 ZINC000169348081 EF Annotated Bother C=CCOC(=O)NCCCCc1cc(=O)oc2c(C=O)c(O)ccc12 ZINC000169348337 EF Annotated Mild O=C(NO)c1cc(-c2ccccc2)nn1Cc1ccc(Cl)nc1 ZINC000169349122 EF Annotated Anodyne C=CCNC(=O)[C@@H]1C=C(OC)C(=O)C[C@@H]2c3ccccc3C[C@@]21C ZINC000169349795 EF Annotated Mild C=CCNC(=O)[C@@H]1C=C(OC)C(=O)C[C@H]2c3ccccc3C[C@]12C ZINC000169349798 EF Annotated Mild COc1ccc(-n2cnc(C#N)c2/N=C/c2ccc(O)c(O)c2)cc1 ZINC000169350309 EF Annotated Mild N#Cc1ncn(-c2ccc(F)cc2)c1/N=C/c1cc(O)c(O)c(O)c1 ZINC000169350318 EF Annotated Mild N#Cc1ncn(-c2ccc(F)cc2)c1/N=C/c1ccc(O)c(O)c1O ZINC000169350320 EF Annotated Mild O=c1nc(Nc2ccc(-c3ccncc3)cc2)c2cccnc2n1O ZINC000169350743 EF Annotated Anodyne O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1C(=O)Nc1ccncc1 ZINC000169351029 EF Annotated Bother O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1C(=O)Nc1ccncc1 ZINC000169351031 EF Annotated Bother CCCCCc1cn(C[C@H]2O[C@H](OCCC(C)C)C=CC2=O)nn1 ZINC000169353699 EF Annotated Mild CC(C)CCO[C@@H]1C=CC(=O)[C@@H](Cn2cc(C3CCCC3)nn2)O1 ZINC000169353712 EF Annotated Mild CCOC(=O)[C@@]12[C@@H]3[C@@H](CCN3C(=O)N[C@@H]1c1ccccc1)C2(C)C ZINC000169354236 EF Annotated Anodyne CCOC(=O)[C@]12[C@@H]3[C@@H](CCN3C(=O)N[C@@H]1c1ccccc1)C2(C)C ZINC000169354237 EF Annotated Anodyne CCOC(=O)[C@]12[C@@H](c3ccccc3)NC(=O)N3CC[C@H]([C@@H]31)C2(C)C ZINC000169354238 EF Annotated Anodyne CCOC(=O)[C@@]12[C@@H](c3ccccc3)NC(=O)N3CC[C@H]([C@@H]31)C2(C)C ZINC000169354239 EF Annotated Anodyne C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)C(C)C)=C\C[C@H]12 ZINC000169354371 EF Annotated Mild C=C(C)C(=O)OC/C1=C/C[C@@H]2C(=C)C(=O)O[C@H]2C/C(CO)=C/CC1 ZINC000169354417 EF Annotated Mild O=C1NC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccn1 ZINC000169355387 EF Annotated Anodyne CC(=O)C[C@@H](O)CC(=O)[C@@H]1OC(=O)[C@@H](C)C/C=C/Cc2ccccc21 ZINC000169355565 EF Annotated Anodyne CC(=O)C[C@H](O)CC(=O)[C@@H]1OC(=O)[C@@H](C)C/C=C/Cc2ccccc21 ZINC000169355722 EF Annotated Anodyne C/C=C\OC(=O)N[C@@H](c1ccccc1)[C@@]1(C(=O)OC)CCCC1=O ZINC000169357072 EF Annotated Anodyne C/C=C\OC(=O)N[C@H](c1ccccc1)[C@@]1(C(=O)OC)CCCC1=O ZINC000169357073 EF Annotated Anodyne CC(=O)C[C@H](O)CC(=O)[C@H]1OC(=O)[C@@H](C)C/C=C/Cc2ccccc21 ZINC000169358074 EF Annotated Anodyne C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCN(C)CC3)[C@@H]2CC/C(C)=C/CC1 ZINC000169359984 EF Annotated Anodyne C/C1=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](CN3CCN(C)CC3)[C@@H]2CC1 ZINC000169359985 EF Annotated Anodyne C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCN(C)CC3)[C@@H]2CC/C(C)=C\CC1 ZINC000169359986 EF Annotated Anodyne C[C@]12CC[C@@H]3[C@@H](CC[C@H]4[C@](O)(C#N)[C@H](O)CC[C@]34C)[C@@H]1CCC(=O)O2 ZINC000169360690 EF Annotated Reactive C[C@]12CC[C@H]3[C@H](CC[C@H]4[C@](O)(C#N)[C@H](O)CC[C@]34C)[C@@H]1CCC(=O)O2 ZINC000169360691 EF Annotated Reactive CC(C)[C@@H](CCl)N(C)[C@@H]1[C@@H]2C=C(C#N)C=C[C@@H]2OC(C)(C)[C@H]1O ZINC000169362321 EF Annotated Reactive CC(=O)C[C@@H](O)CC(=O)[C@H]1OC(=O)[C@@H](C)C/C=C/Cc2ccccc21 ZINC000169362699 EF Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@H]1[C@]1(O)C/C(C)=C\CC/C(C)=C\CC[C@@]2(CO)O1 ZINC000169363479 EF Annotated Mild C=C1C(=O)O[C@@H]2C[C@H]1[C@]1(O)C/C(C)=C/CC/C(C)=C\CC[C@@]2(CO)O1 ZINC000169363480 EF Annotated Mild C=C1C(=O)O[C@@H]2C[C@H]1[C@]1(O)C/C(C)=C\CC/C(C)=C/CC[C@@]2(CO)O1 ZINC000169363481 EF Annotated Mild CCCN1N=C(C(=O)N[C@@H](C)c2ccccc2)[C@@H]2CN(CC)CC[C@@H]21 ZINC000169363603 EF Annotated Anodyne CCCN1N=C(C(=O)N[C@H](C)c2ccccc2)[C@@H]2CN(CC)CC[C@@H]21 ZINC000169363604 EF Annotated Anodyne C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@@](O)(C/C(C)=C\[C@@H](O)C1)NC3=O ZINC000169363742 EF Annotated Mild N[C@]12CCCC[C@@H](CC1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000169363796 EF Annotated Anodyne C=C1CC[C@@H]2CC[C@@H]3C(=O)N/C(=C\[C@@H](C)C[C@@H](O)C1)[C@@]3(O)C2(C)C ZINC000169363878 EF Annotated Mild C=C1CC[C@@H]2CC[C@H]3C(=O)N/C(=C\[C@@H](C)C[C@@H](O)C1)[C@@]3(O)C2(C)C ZINC000169363879 EF Annotated Mild C=C1CC[C@@H]2CC[C@H]3C(=O)N/C(=C/[C@@H](C)C[C@@H](O)C1)[C@@]3(O)C2(C)C ZINC000169363880 EF Annotated Mild C=CCN1C[C@H]2C[C@@]3(COc4cc(C)cc(C)c4)C=C[C@@]2(O3)C1=O ZINC000169364183 EF Annotated Mild C=CCN1C[C@@H]2C[C@]3(COc4cc(C)cc(C)c4)C=C[C@@]2(O3)C1=O ZINC000169364184 EF Annotated Mild C=CCN1C[C@H]2C[C@]3(COc4cc(C)cc(C)c4)C=C[C@@]2(O3)C1=O ZINC000169364185 EF Annotated Mild CNn1cc(C(=O)O)c(=O)c2cc(F)c(-c3cc(C)nc(C)c3)cc21 ZINC000169365574 EF Annotated Anodyne C[C@@H](C1=CN[C@@H]2N=CC=C[C@@H]12)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000169366775 EF Annotated Anodyne C[C@H](C1=CN[C@@H]2N=CC=C[C@@H]12)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000169366777 EF Annotated Anodyne C[C@@H](C1=CN[C@H]2N=CC=C[C@@H]12)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000169366778 EF Annotated Anodyne C[C@H](C1=CN[C@H]2N=CC=C[C@@H]12)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000169366780 EF Annotated Anodyne CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@]2(CO)[C@]13C(=O)O ZINC000169370006 EF Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@]2(CO)[C@]13C(=O)O ZINC000169370007 EF Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@]2(CO)[C@]13C(=O)O ZINC000169370008 EF Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@]2(CO)[C@]13C(=O)O ZINC000169370009 EF Annotated Mild Cc1ccc2c(c1)O[C@H](O)[C@]21CC[C@@]2(O)c3ccc(C)cc3O[C@@H]2O1 ZINC000169370441 EF Annotated Anodyne Cc1ccc2c(c1)O[C@H](O)[C@@]21CC[C@@]2(O)c3ccc(C)cc3O[C@@H]2O1 ZINC000169370442 EF Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(\C)C[C@@H]3C=C(C/C=C\[C@@](C)(O)CC[C@H]12)C(=O)O3 ZINC000169370446 EF Annotated Mild C=C1C(=O)O[C@H]2/C=C(/C)C[C@@H]3C=C(C/C=C\[C@@](C)(O)CC[C@H]12)C(=O)O3 ZINC000169370447 EF Annotated Mild C=C1C(=O)O[C@H]2/C=C(/C)C[C@@H]3C=C(C/C=C/[C@@](C)(O)CC[C@H]12)C(=O)O3 ZINC000169370448 EF Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CC/N=C/OCC4)[C@H]3C[C@@H]12 ZINC000169372329 EF Annotated Mild Nc1ccc2c(c1)C[C@@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000169373408 EF Annotated Anodyne Nc1ccc2c(c1)C[C@@H]1CC[C@H](C2)[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000169373409 EF Annotated Anodyne CC1(C)Oc2cc3oc(=O)ccc3c3c2[C@H]2[C@@H]1CC[C@@](C)(O3)[C@@H]2O ZINC000169392871 EF Annotated Anodyne C[C@@H]1CC[C@@]2(O)CC(CO)=CCC[C@@H]2[C@@]1(C)CC/C(=C/CO)CO ZINC000169542797 EF Annotated Anodyne COC(=O)[C@@H]1C[C@]23CCCN4CC[C@@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@@H]43 ZINC000169583786 EF Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N+](C)(CCl)C2 ZINC000169587717 EF Annotated Reactive CC1(C)N[C@@H]2C[C@]3(O)C(=Nc4ccccc43)[C@]3(C)C[C@@H](O)[C@H]1C[C@H]23 ZINC000169639874 EF Annotated Anodyne COc1c(O)cc2c(c1OC)CCCN1CCC3=CC[C@H](OC)C[C@]321 ZINC000169644626 EF Annotated Anodyne COc1cc2c(cc1OC)[C@H]1[C@H](CC=C3CCN(C)[C@@H]31)O[C@H]2OC ZINC000169650814 EF Annotated Anodyne CC[C@]12CC[C@@]3(CO)[C@H](CCC4=C5[C@H](CC4)[C@H](C(=O)OC)C[C@]513)CN2 ZINC000169653180 EF Annotated Anodyne CC(C)C1=C[C@]23OC(=O)[C@@]4(CCCC(C)(C)[C@@H]4C[C@H]2O)[C@@]3(O)CC1 ZINC000169654112 EF Annotated Anodyne C=C1CCC=C(C)[C@]2(O)[C@@H]1[C@@H]1OC(=O)[C@H](C)[C@@H]1[C@H]2OC(=O)[C@@H](C)CC ZINC000169663924 EF Annotated Mild CO[C@H]1C[C@H]2CCN(C)[C@H]2c2c1oc(=O)c1cc3c(cc21)OCO3 ZINC000169669087 EF Annotated Anodyne COc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)n1 ZINC000169685250 EF Annotated Clean CCNC(=O)c1ccc(OCc2c([C@@H]3CCCCN3)noc2C)nc1 ZINC000169685412 EF Annotated Anodyne CCNC(=O)c1ccc(OCc2c([C@H]3CCCCN3)noc2C)nc1 ZINC000169685413 EF Annotated Anodyne CC(=O)Oc1ccc(-n2c(O)c3c(c2O)[C@@]2(C)C=C[C@@]3(C)O2)cc1 ZINC000169686669 EF Annotated Anodyne CC(=O)Oc1ccc(-n2c(O)c3c(c2O)[C@@]2(C)C=C[C@]3(C)O2)cc1 ZINC000169686670 EF Annotated Anodyne CC(=O)Oc1ccc(-n2c(O)c3c(c2O)[C@]2(C)C=C[C@]3(C)O2)cc1 ZINC000169686671 EF Annotated Anodyne O=C1CCCC(=O)C1C(C#Cc1ccccc1)C1C(=O)CCCC1=O ZINC000169686888 EF Annotated Mild CCCc1[nH]nc2c1[C@@H](c1ccc(O)c(OC)c1)[C@@H](C#N)C(=N)O2 ZINC000169687511 EF Annotated Mild CCCc1[nH]nc2c1[C@H](c1ccc(O)c(OC)c1)[C@@H](C#N)C(=N)O2 ZINC000169687512 EF Annotated Mild O=C(Cc1sc(=O)n(-c2ccccc2)c1O)Nc1ccccc1 ZINC000169687990 EF Annotated Anodyne Oc1c2c(c(O)n1-c1nnc(Cc3ccc(F)cc3)[nH]1)CCCC2 ZINC000169688158 EF Annotated Anodyne COc1cccc(/N=N/c2c(N)[nH]n3c(=O)c4c(nc23)CCCC4)c1 ZINC000169688293 EF Annotated Clean COc1c[c-](/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc([N+](=O)[O-])c1=O ZINC000169688573 EF Annotated Reactive COc1ccccc1N1C(=O)/C(=N/c2ccccc2O)[C@@H](Cl)C1=O ZINC000169688574 EF Annotated Reactive COc1ccccc1N1C(=O)/C(=N/c2ccccc2O)[C@H](Cl)C1=O ZINC000169688575 EF Annotated Reactive COc1ccc(N2C(=O)/C(=N/c3ccccc3O)[C@@H](Cl)C2=O)cc1 ZINC000169688835 EF Annotated Reactive COc1ccc(N2C(=O)/C(=N/c3ccccc3O)[C@H](Cl)C2=O)cc1 ZINC000169688836 EF Annotated Reactive COc1ccc([C@@H]2C3=C(CCCC3=O)OC(=N)[C@@H]2C#N)cc1OC ZINC000169688881 EF Annotated Mild COc1ccc([C@H]2C3=C(CCCC3=O)OC(=N)[C@@H]2C#N)cc1OC ZINC000169688882 EF Annotated Mild COc1cc([C@@H]2C3=C(CCCC3=O)OC(=N)[C@@H]2C#N)cc2c1OCO2 ZINC000169688974 EF Annotated Mild COc1cc([C@H]2C3=C(CCCC3=O)OC(=N)[C@@H]2C#N)cc2c1OCO2 ZINC000169688975 EF Annotated Mild CN1[C@@H]2c3ccccc3[C@H]3[C@H]1[C@H]([N+](=O)[O-])[C@@H]1c4ccccc4[C@@H]2[C@@H]3N1C ZINC000169689338 EF Annotated Bother CN1[C@H]2c3ccccc3[C@@H]3[C@H]1[C@H]1c4ccccc4[C@@H]3N(C)[C@@H]1[C@@H]2[N+](=O)[O-] ZINC000169689339 EF Annotated Bother CCOC(=O)[C@@H]1CCCN(c2cc(O)n(-c3ccc(C)cc3)c2O)C1 ZINC000169689377 EF Annotated Anodyne CCOC(=O)[C@H]1CCCN(c2cc(O)n(-c3ccc(C)cc3)c2O)C1 ZINC000169689378 EF Annotated Anodyne N#C[C@@H]1C(=S)NC(=O)[C@H]([n+]2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000169689879 EF Annotated Mild N#C[C@H]1C(=S)NC(=O)[C@H]([n+]2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000169689880 EF Annotated Mild COC(=O)Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/c1ccc(C)cc1 ZINC000169689915 EF Annotated Mild COc1ccc(S(=O)(=O)[C@@H](C#N)/C=N/c2cccc(OC)c2)cc1 ZINC000169690074 EF Annotated Mild COc1ccc(S(=O)(=O)[C@H](C#N)/C=N/c2cccc(OC)c2)cc1 ZINC000169690075 EF Annotated Mild CC(=O)Oc1cccc(-n2c(O)c3c(c2O)[C@@]2(C)C=C[C@@]3(C)O2)c1 ZINC000169690155 EF Annotated Anodyne CC(=O)Oc1cccc(-n2c(O)c3c(c2O)[C@@]2(C)C=C[C@]3(C)O2)c1 ZINC000169690156 EF Annotated Anodyne CC(=O)Oc1cccc(-n2c(O)c3c(c2O)[C@]2(C)C=C[C@]3(C)O2)c1 ZINC000169690157 EF Annotated Anodyne CC1=Nc2ncnn2[C@@H](c2cccnc2)[C@@H]1C(=O)OCc1ccccc1 ZINC000169690537 EF Annotated Anodyne CC1=Nc2ncnn2[C@H](c2cccnc2)[C@@H]1C(=O)OCc1ccccc1 ZINC000169690538 EF Annotated Anodyne CC1=Nc2ncnn2[C@@H](c2cccnc2)[C@H]1C(=O)OCc1ccccc1 ZINC000169690539 EF Annotated Anodyne CC1=Nc2ncnn2[C@H](c2cccnc2)[C@H]1C(=O)OCc1ccccc1 ZINC000169690540 EF Annotated Anodyne CC1=Nc2ncnn2[C@@H](c2ccco2)[C@@H]1C(=O)OCc1ccccc1 ZINC000169690570 EF Annotated Anodyne CC1=Nc2ncnn2[C@H](c2ccco2)[C@@H]1C(=O)OCc1ccccc1 ZINC000169690571 EF Annotated Anodyne CC1=Nc2ncnn2[C@@H](c2ccco2)[C@H]1C(=O)OCc1ccccc1 ZINC000169690572 EF Annotated Anodyne CC1=Nc2ncnn2[C@H](c2ccco2)[C@H]1C(=O)OCc1ccccc1 ZINC000169690573 EF Annotated Anodyne O=c1[nH]c(=S)n(-c2ccccc2F)c(O)c1/C=N/Cc1ccco1 ZINC000169690664 EF Annotated Mild Cc1[nH]nc2c1[C@@H](c1c[nH]nc1-c1ccc(F)cc1)[C@@H](C#N)C(=N)O2 ZINC000169691003 EF Annotated Mild Cc1[nH]nc2c1[C@H](c1c[nH]nc1-c1ccc(F)cc1)[C@@H](C#N)C(=N)O2 ZINC000169691004 EF Annotated Mild Cc1[nH]nc2c1C1(CCN(Cc3ccccc3)CC1)[C@@H](C#N)C(=N)O2 ZINC000169691026 EF Annotated Mild Cc1[nH]nc2c1C1(CCN(Cc3ccccc3)CC1)[C@H](C#N)C(=N)O2 ZINC000169691027 EF Annotated Mild CCN1C(=O)[C@@]2(c3ccccc31)c1c(n[nH]c1C(C)C)OC(=N)[C@@H]2C#N ZINC000169691459 EF Annotated Mild CCN1C(=O)[C@]2(c3ccccc31)c1c(n[nH]c1C(C)C)OC(=N)[C@@H]2C#N ZINC000169691460 EF Annotated Mild COc1c([N+](=O)[O-])[c-](/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1=O ZINC000169691541 EF Annotated Reactive Cc1cccc(-n2c(O)c(/C=C/C=N/c3ccccc3)c(=O)[nH]c2=O)c1 ZINC000169691542 EF Annotated Mild COCCOC(=O)[C@@H]1C(C)=NC(=O)N[C@@H]1c1cccc2ccccc12 ZINC000169691577 EF Annotated Anodyne COCCOC(=O)[C@H]1C(C)=NC(=O)N[C@@H]1c1cccc2ccccc12 ZINC000169691578 EF Annotated Anodyne COCCOC(=O)[C@@H]1C(C)=NC(=O)N[C@H]1c1cccc2ccccc12 ZINC000169691579 EF Annotated Anodyne COCCOC(=O)[C@H]1C(C)=NC(=O)N[C@H]1c1cccc2ccccc12 ZINC000169691580 EF Annotated Anodyne O=c1[nH]c(=O)n(-c2ccccc2)c(O)c1/C=C/C=N/c1ccccc1 ZINC000169691617 EF Annotated Mild Cc1ccc(-n2c(O)c(/C=C/C=N/c3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000169691873 EF Annotated Mild CC(=O)Oc1cccc2c(O)c3c(c(O)c12)CC=C[C@@H]3OC(C)=O ZINC000169691985 EF Annotated Anodyne CC(=O)Oc1cccc2c(O)c3c(c(O)c12)CC=C[C@H]3OC(C)=O ZINC000169691986 EF Annotated Anodyne Cc1nnc(/N=N/Cc2ccc(-c3cccc(C(=O)O)c3)o2)n1N ZINC000169692004 EF Annotated Clean O=C(O)[C@@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccccc1Br ZINC000169692269 EF Annotated Anodyne CC1(C)CC(=O)[C-](/N=N/c2cc3c(cc2[N+](=O)[O-])OCCO3)C(=O)C1 ZINC000169692325 EF Annotated Clean C[C-](/N=N/c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000169693129 EF Annotated Clean CCCC1=Nc2nc(C)nn2[C@@H](c2cccnc2)[C@@H]1C(=O)OCC ZINC000169693293 EF Annotated Anodyne CCCC1=Nc2nc(C)nn2[C@H](c2cccnc2)[C@@H]1C(=O)OCC ZINC000169693294 EF Annotated Anodyne CCCC1=Nc2nc(C)nn2[C@@H](c2cccnc2)[C@H]1C(=O)OCC ZINC000169693295 EF Annotated Anodyne CCCC1=Nc2nc(C)nn2[C@H](c2cccnc2)[C@H]1C(=O)OCC ZINC000169693296 EF Annotated Anodyne C=C/C(C)=C/[C@@]1(C)SC(=O)[C@@H](C(=O)c2ccccc2C(=O)O)C1=O ZINC000169693634 EF Annotated Anodyne C=C/C(C)=C/[C@@]1(C)SC(=O)[C@H](C(=O)c2ccccc2C(=O)O)C1=O ZINC000169693635 EF Annotated Anodyne COc1ccc(CN2CC(=O)[C@@H](Sc3ccccc3)C2=O)cc1 ZINC000169693693 EF Annotated Anodyne COc1ccc(CN2CC(=O)[C@H](Sc3ccccc3)C2=O)cc1 ZINC000169693694 EF Annotated Anodyne O=C1CN(Cc2ccccc2)C(=O)[C@@H]1SCCc1ccccc1 ZINC000169693704 EF Annotated Anodyne O=C1CN(CCc2ccccc2)C(=O)[C@@H]1SCCc1ccccc1 ZINC000169693705 EF Annotated Anodyne COC(=O)c1ccc(CC(=O)c2cc(C=O)c(O)cc2C)c(C)c1O ZINC000169697277 EF Annotated Anodyne [C-]#[N+]C1=C2COCCN2C(C)=C(C#N)[C@H]1c1cc2c(N)nccc2o1 ZINC000169698733 EF Annotated Reactive CCCNC(=O)c1cccc(-c2cc(C=O)c(O)c([N+](=O)[O-])c2)c1 ZINC000169699686 EF Annotated Bother COc1cc(-c2cccs2)cc([C@@H]2N[C@@H](C(=O)O)CS2)c1O ZINC000169699728 EF Annotated Clean COc1cc(-c2cccs2)cc([C@H]2N[C@@H](C(=O)O)CS2)c1O ZINC000169699729 EF Annotated Clean COc1cc(-c2cccs2)cc([C@@H]2N[C@H](C(=O)O)CS2)c1O ZINC000169699730 EF Annotated Clean COc1cc(-c2cccs2)cc([C@H]2N[C@H](C(=O)O)CS2)c1O ZINC000169699731 EF Annotated Clean Cc1ccncc1-c1cc2c[n+]([O-])c(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1 ZINC000169700146 EF Annotated Anodyne CN1c2ccsc2C(NNc2ccc(F)cc2)=CS1(=O)=O ZINC000169700630 EF Annotated Anodyne CCCc1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1 ZINC000169701184 EF Annotated Anodyne C[C@@H]1OC(N)=N[C@H]1CCc1ccc(Nc2ncc(Cl)cn2)cc1 ZINC000169701187 EF Annotated Anodyne CC(C)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1 ZINC000169701195 EF Annotated Anodyne Cc1cc(CC[C@H]2COC(N)=N2)ccc1Nc1ncc(Cl)cn1 ZINC000169701207 EF Annotated Anodyne Cc1ncc(C)n2nc(CCc3cn4c(n3)-c3ccccc3C4)nc12 ZINC000169704369 EF Annotated Anodyne Cc1ncc(C)n2nc(CCc3cn4c(n3)-c3ccc(F)cc3C4)nc12 ZINC000169704374 EF Annotated Anodyne Cc1ncc(C)n2nc(CCc3cn4c(n3)-c3ccccc3CC4)nc12 ZINC000169704375 EF Annotated Anodyne CC1=CN(O)[C@@H](C)c2nc(CCc3cn4c(n3)-c3ccccc3C4)nn21 ZINC000169704376 EF Annotated Anodyne CC1=CN(O)[C@H](C)c2nc(CCc3cn4c(n3)-c3ccccc3C4)nn21 ZINC000169704377 EF Annotated Anodyne Cc1ncc(C)n2nc(CCc3cn4c(n3)-c3cc(F)ccc3C4)nc12 ZINC000169704378 EF Annotated Anodyne Cc1ncc(C)n2nc(CCc3cn4c(n3)-c3cccc(F)c3C4)nc12 ZINC000169704382 EF Annotated Anodyne Cc1ncc(C)n2nc(CCc3cn4c(n3)-c3c(F)cccc3C4)nc12 ZINC000169704383 EF Annotated Anodyne Cc1nnc(-c2ccn3c(-c4cccc(NC(N)=O)c4)cnc3c2)o1 ZINC000169704767 EF Annotated Anodyne NC(=O)Nc1cccc(-c2cnc3cc(-c4ncccn4)ccn23)c1 ZINC000169704770 EF Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccn(C(C)C)c(=O)c2)cc1 ZINC000169706204 EF Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccn(C(C)C)c(=O)c2)cc1 ZINC000169706205 EF Annotated Mild CCCNc1nccc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)n1 ZINC000169706341 EF Annotated Mild CCCNc1nccc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)n1 ZINC000169706342 EF Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(NC(C)C)n2)cc1 ZINC000169706349 EF Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(NC(C)C)n2)cc1 ZINC000169706350 EF Annotated Mild CCNc1ncc(C#Cc2ccc(C[C@@H](C)NC(=O)OC)cc2)cn1 ZINC000169706453 EF Annotated Mild CCNc1ncc(C#Cc2ccc(C[C@H](C)NC(=O)OC)cc2)cn1 ZINC000169706454 EF Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc(N3CCCC3)nc2)cc1 ZINC000169706459 EF Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(N3CCCC3)nc2)cc1 ZINC000169706460 EF Annotated Mild CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2CC)c1 ZINC000169706960 EF Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2CC)c1 ZINC000169706961 EF Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(C3CCCC3)n(-c3ccccc3)n2)CN1 ZINC000169707008 EF Annotated Anodyne CCCc1cccc2c1CCN1C(=O)CN[C@H](n3cnc(C)c3)C=C21 ZINC000169708334 EF Annotated Anodyne CCCc1cccc2c1CCN1C(=O)CN[C@@H](n3cnc(C)c3)C=C21 ZINC000169708335 EF Annotated Anodyne CC1=N[C@@]2(N=C1N)c1cc(Br)ccc1CC21CCOCC1 ZINC000169708586 EF Annotated Anodyne CC1=N[C@]2(N=C1N)c1cc(Br)ccc1CC21CCOCC1 ZINC000169708587 EF Annotated Anodyne Cc1cccc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711783 EF Annotated Anodyne CC(=O)O/[N+](=C/[CH-]C(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000169712119 EF Annotated Mild CCOC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCSCC)[C@@H]1C ZINC000169712603 EF Annotated Anodyne CCOC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCSCC)[C@@H]1C ZINC000169712604 EF Annotated Anodyne CCOC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCSC)[C@@H]1CC ZINC000169712619 EF Annotated Anodyne CCOC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCSC)[C@@H]1CC ZINC000169712620 EF Annotated Anodyne CCOC(=O)C(=O)C/C=C(\SCc1ccccc1)C(=O)OCC ZINC000169712665 EF Annotated Anodyne CCOC(=O)C(=O)C/C=C(/SCc1ccccc1)C(=O)OCC ZINC000169712666 EF Annotated Anodyne CCCCCS(=O)(=O)c1ccc(Cl)cc1-c1[nH]c(=O)[nH]c1O ZINC000169712835 EF Annotated Anodyne O=c1ccc([N+](=O)[O-])c2oc(-c3ccc([N+](=O)[O-])cc3)cc(O)c1-2 ZINC000169714018 EF Annotated Bother O=c1c([N+](=O)[O-])ccc2oc(-c3ccc([N+](=O)[O-])cc3)cc(O)c1-2 ZINC000169714021 EF Annotated Bother O=c1ccc2c(O)cc(-c3ccc([N+](=O)[O-])cc3)oc-2c1[N+](=O)[O-] ZINC000169714023 EF Annotated Bother CNC1=NC=C2/C(=N/c3cccc(Br)c3)N(C)C=N[C@@H]2C1 ZINC000169714679 EF Annotated Mild CNC1=NC=C2/C(=N/c3cccc(Br)c3)N(C)C=N[C@H]2C1 ZINC000169714680 EF Annotated Mild O=C1C(=O)C(c2ccc3ccccc3c2)C(=O)C(=O)C1c1ccccc1 ZINC000169716546 EF Annotated Clean O=C1C(=O)C(c2coc3ccccc23)C(=O)C(=O)C1c1ccccc1 ZINC000169716547 EF Annotated Clean O=C1C(=O)C(c2cccc3ccccc23)C(=O)C(=O)C1c1ccccc1 ZINC000169716548 EF Annotated Clean Cc1c(/N=C/CCN2CCN(C)CC2)c(O)c2c(O)cccc2c1O ZINC000169716702 EF Annotated Mild Cc1c(/N=C/CCN2CCN(C)CC2)c(O)c2ccccc2c1O ZINC000169716743 EF Annotated Mild O=C1CC(=O)C(=O)C(c2c[nH]c3c(-c4ccccc4)cccc23)C1=O ZINC000169717684 EF Annotated Clean O=C1CC(=O)C(=O)C(c2c[nH]c3c(Cc4ccccc4)cccc23)C1=O ZINC000169717692 EF Annotated Clean CN(CCCn1c(O)c2n(c1=O)Cc1ccccc1C2)c1ccccc1 ZINC000169718935 EF Annotated Anodyne C=C1C(=O)C(=O)C[C@H]2[C@]1(C)CC[C@H]1C[C@@](C)(C(=O)CO)CC[C@]12C ZINC000169721120 EF Annotated Mild CCC[C@@H]1CNC2=[N+]1C[C@@H](Cc1ccc(OC)cc1)N2CC1CCC1 ZINC000169721144 EF Annotated Anodyne CCC[C@H]1CNC2=[N+]1C[C@@H](Cc1ccc(OC)cc1)N2CC1CCC1 ZINC000169721145 EF Annotated Anodyne CCC[C@@H]1CNC2=[N+]1C[C@H](Cc1ccc(OC)cc1)N2CC1CCC1 ZINC000169721146 EF Annotated Anodyne CCC[C@H]1CNC2=[N+]1C[C@H](Cc1ccc(OC)cc1)N2CC1CCC1 ZINC000169721147 EF Annotated Anodyne O=[N+]([O-])c1ccc(/N=N\[CH-]c2ccc(O)c(O)c2O)c([N+](=O)[O-])c1 ZINC000169721404 EF Annotated Clean O=S(=O)(O)CCn1nc(/C=C/Cc2ccccc2)sc1=S ZINC000169722483 EF Annotated Anodyne COc1ccncc1-c1[nH][nH]c(=O)c1/N=N/c1ccc(C(=O)O)cc1 ZINC000169723255 EF Annotated Clean CCOC(=O)[C@H](Cc1ccccc1)/N=C/[C@@H]1C(=O)Nc2ccccc21 ZINC000169724597 EF Annotated Mild CCOC(=O)[C@H](Cc1ccccc1)/N=C/[C@H]1C(=O)Nc2ccccc21 ZINC000169724598 EF Annotated Mild CCC(=O)N[C@@H](c1ccco1)[C@@H]1C[C@@H](Cl)[C@@H]2CCCN=C2C1=O ZINC000169725005 EF Annotated Reactive CCC(=O)N[C@H](c1ccco1)[C@@H]1C[C@@H](Cl)[C@@H]2CCCN=C2C1=O ZINC000169725006 EF Annotated Reactive CCC(=O)N[C@@H](c1ccco1)[C@H]1C[C@@H](Cl)[C@@H]2CCCN=C2C1=O ZINC000169725007 EF Annotated Reactive CCC(=O)N[C@H](c1ccco1)[C@H]1C[C@@H](Cl)[C@@H]2CCCN=C2C1=O ZINC000169725008 EF Annotated Reactive O=C(O)c1cccc([C@@H]2NC(=S)N=C3c4ccccc4C(=O)[C@@H]32)c1 ZINC000169726065 EF Annotated Anodyne O=C(O)c1cccc([C@H]2NC(=S)N=C3c4ccccc4C(=O)[C@@H]32)c1 ZINC000169726066 EF Annotated Anodyne O=C(O)c1cccc([C@@H]2NC(=S)N=C3c4ccccc4C(=O)[C@H]32)c1 ZINC000169726067 EF Annotated Anodyne O=C(O)c1cccc([C@H]2NC(=S)N=C3c4ccccc4C(=O)[C@H]32)c1 ZINC000169726068 EF Annotated Anodyne C[C@@]12CC[C@@](C)(O1)c1c2c(O)n(-c2ccc(C#N)n3nccc23)c1O ZINC000169727140 EF Annotated Mild C[C@]12CC[C@@](C)(O1)c1c2c(O)n(-c2ccc(C#N)n3nccc23)c1O ZINC000169727141 EF Annotated Mild C[C@@]12CC[C@](C)(O1)c1c2c(O)n(-c2ccc(C#N)n3nccc23)c1O ZINC000169727142 EF Annotated Mild CC[C@@H]1CC(=O)[C@@H]2[C@@H](O)C(C)=CC[C@H]2[C@]1(C)C(=O)c1c(O)c[nH]c1O ZINC000169728477 EF Annotated Anodyne CCC(CC)n1c(=O)cc(O)n(CCc2cccc(Cl)c2)c1=O ZINC000169729797 EF Annotated Anodyne CCOC(=O)[C@@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(C#N)cc1 ZINC000169730658 EF Annotated Mild CCOC(=O)[C@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(C#N)cc1 ZINC000169730659 EF Annotated Mild CCOC(=O)[C@@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1cccc(C#N)c1 ZINC000169730662 EF Annotated Mild CCOC(=O)[C@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1cccc(C#N)c1 ZINC000169730663 EF Annotated Mild CCOC(=O)[C@@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccccc1C#N ZINC000169730690 EF Annotated Mild CCOC(=O)[C@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccccc1C#N ZINC000169730691 EF Annotated Mild CC(C)OC(=O)c1ccsc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 ZINC000017072553 EF Annotated Anodyne CC(C)OC(=O)c1ccsc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 ZINC000017072554 EF Annotated Anodyne O=C(C[C@@H]1SC(NCc2ccccc2)=NC1=O)Nc1ccccc1 ZINC000017085374 EF Annotated Anodyne O=C(C[C@H]1SC(NCc2ccccc2)=NC1=O)Nc1ccccc1 ZINC000017085375 EF Annotated Anodyne O=C1[C@@H]2[C@@H]3CC[C@@H](O3)[C@H]2C(=O)N1CNc1ccc(Cl)c(Cl)c1 ZINC000017111624 EF Annotated Anodyne COc1cccc([C@H]2c3cc4c(cc3O[C@](C)(O)[C@H]2C)OCO4)c1O ZINC000017174794 EF Annotated Anodyne C[C@@H]1CCC[C@@H]([C@@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1=O ZINC000017188103 EF Annotated Anodyne C[C@H]1CCC[C@@H]([C@@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1=O ZINC000017188106 EF Annotated Anodyne C[C@@H]1CCC[C@H]([C@@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1=O ZINC000017188108 EF Annotated Anodyne C[C@H]1CCC[C@H]([C@@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1=O ZINC000017188111 EF Annotated Anodyne C[C@@H]1CCC(=O)[C@@H]([C@@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1 ZINC000017188114 EF Annotated Anodyne C[C@H]1CCC(=O)[C@@H]([C@@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1 ZINC000017188117 EF Annotated Anodyne C[C@@H]1CCC(=O)[C@H]([C@@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1 ZINC000017188120 EF Annotated Anodyne C[C@H]1CCC(=O)[C@H]([C@@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1 ZINC000017188122 EF Annotated Anodyne CC1=CCC[C@H]2[C@](C=O)(C1)C[C@@H](C)[C@]2(CO)CC/C(=C/CO)CO ZINC000017191608 EF Annotated Mild COc1cc2ccnc3c2c(c1OC)C[C@@H]1C[C@H](O)[C@H](OC)C[C@@H]31 ZINC000017193113 EF Annotated Anodyne COc1cc2ccnc3c2c(c1OC)C[C@@H]1C[C@H](O)[C@H](OC)C[C@H]31 ZINC000017193116 EF Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CO)[C@@H](O)CC[C@@]2(C)[C@H]1C/C=C1/CCOC1=O ZINC000017194393 EF Annotated Mild O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)O[C@@H]1[C@H]2CC[C@@H]1[C@@H]1O[C@@H]1C2 ZINC000017214311 EF Annotated Bother O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)O[C@H]1[C@H]2CC[C@@H]1[C@@H]1O[C@@H]1C2 ZINC000017214314 EF Annotated Bother CO/[S@@](=N/S(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000017215937 EF Annotated Bother COC1=C(C)C(=O)[C@H]2[C@H](C)[C@@H](c3ccc(OC)c(OC)c3)[C@H]2C1=O ZINC000017216929 EF Annotated Mild CC(C)C#C[C@@](O)(C(=O)O[C@H]1C2CCN(CC2)[C@@H]1C)C1CCCCC1 ZINC000017250328 EF Annotated Mild C=C[C@]1(C)CC(=O)[C@@H]([C@H](C)C=O)[C@]12C(=O)Oc1cccc(C)c1C2=O ZINC000017251785 EF Annotated Mild C=C[C@]1(C)CC(=O)[C@H]([C@H](C)C=O)[C@]12C(=O)Oc1cccc(C)c1C2=O ZINC000017251789 EF Annotated Mild O=C1NC(Nc2ccccc2)=NC(C(F)(F)F)(C(F)(F)F)N1 ZINC000017254625 EF Annotated Anodyne N=c1n(CC(=O)c2ccccc2)nc2sc(-c3ccccc3)nn12 ZINC000017256267 EF Annotated Anodyne COc1ccc(NC(=S)N/N=C(\C)c2nc3ncccc3[nH]2)cc1 ZINC000017257645 EF Annotated Mild NC(=S)NN=C1c2ccccc2-c2c(F)c(F)c(F)c(F)c21 ZINC000017417423 EF Annotated Anodyne C=CCON/C(CCC)=C1\C(=O)[C@@H](C(=O)OC)C(C)(C)C\C1=N/C ZINC000017784157 EF Annotated Mild C/C(=N\C[C@@H]1CCCO1)[C@H]1C(=O)N(c2ccc(C)cc2)C(=O)N=C1O ZINC000017886298 EF Annotated Mild Cc1ccc2nc(S[C@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)[nH]c2c1 ZINC000017918567 EF Annotated Anodyne CC(=O)N(CN1C(=O)[C@H]2CC[C@@H](C)C[C@@H]2C1=O)c1ccc(C)cc1 ZINC000017920911 EF Annotated Anodyne CC(=O)N(CN1C(=O)[C@H]2CC[C@H](C)C[C@@H]2C1=O)c1ccc(C)cc1 ZINC000017991437 EF Annotated Anodyne C=C1C(OC)=C(OC)C(=O)c2[nH]c3c(OC)cc([N+](=O)[O-])cc3c21 ZINC000017994971 EF Annotated Mild CN(C)c1ccc(/C=N/Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 ZINC000018022011 EF Annotated Mild Cc1ccc2nc(S[C@@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)[nH]c2c1 ZINC000018030257 EF Annotated Anodyne O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C(=O)c1c(O)[nH]c2ccccc12 ZINC000018061542 EF Annotated Bother C=CC1=CCc2ccccc2[C@H](C[N+](=O)[O-])[C@@](C(C)=O)(C(=O)OC)C1 ZINC000018067086 EF Annotated Bother C=CCON/C(CCC)=C1\C(=O)[C@H](C(=O)OC)C(C)(C)C\C1=N/C ZINC000018089916 EF Annotated Mild O=C(Cn1nnc(-c2ccccc2)n1)/N=N\c1c(O)[nH]c2ccccc12 ZINC000018096502 EF Annotated Clean CN(CCc1ccccn1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000018118083 EF Annotated Anodyne C=CC1=CCc2ccccc2[C@H](C[N+](=O)[O-])[C@](C(C)=O)(C(=O)OC)C1 ZINC000018163187 EF Annotated Bother O=C(N/N=C/c1ccc2cccnc2c1)c1nc(O)c2ccccc2n1 ZINC000018168306 EF Annotated Reactive Cc1nc([N+](=O)[O-])nn1C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 ZINC000018169251 EF Annotated Bother CC1(C)C=CN2C(=O)C3=CCCN3C(=O)[C@@H]2Cc2c1[nH]c1ccccc21 ZINC000018177398 EF Annotated Anodyne Cc1nnc(SCC(=O)O[C@H]2C[C@H](C)CC[C@H]2C(C)C)nc1O ZINC000018227529 EF Annotated Anodyne Cc1nnc(SCC(=O)O[C@H]2C[C@@H](C)CC[C@H]2C(C)C)nc1O ZINC000018227531 EF Annotated Anodyne CN1C(=O)C[C@@H](C(=O)O)S/C1=N\c1cc(Cl)c(O)c(Cl)c1 ZINC000018246185 EF Annotated Mild CN1C(=O)C[C@H](C(=O)O)S/C1=N\c1cc(Cl)c(O)c(Cl)c1 ZINC000018246186 EF Annotated Mild CCOc1ccnc(CCNC(=S)Nc2ccc(C)cn2)c1F ZINC000018422318 EF Annotated Anodyne in-vivo O=C1O[C@@H]2CN(c3ccccn3)C[C@@H]2N1CCCc1ccc(F)cc1 ZINC000019114079 EF Annotated Anodyne CC[C@H](C)c1nc2nc(N3CCCC[C@H]3CCO)ccc2[nH]c1=O ZINC000019134798 EF Annotated Anodyne c1cc(CN2CCOCC2)cc(-c2nc3c(cnn3CC3CC3)[nH]2)c1 ZINC000019148196 EF Annotated Anodyne OCC[C@@H]1CN(C2CCSCC2)CCN1Cc1cccs1 ZINC000019219043 EF Annotated Anodyne OCC[C@H]1CN(C2CCSCC2)CCN1Cc1cccs1 ZINC000019219048 EF Annotated Anodyne Cc1cnc(NCc2[nH]nc3c2CCCCC3)nc1-c1ccnn1C ZINC000019222651 EF Annotated Anodyne COc1cc(-c2cccc(-c3ccn(Cc4cncn4C)n3)c2)ncn1 ZINC000019225965 EF Annotated Anodyne CC(C)Nc1ncc(CN2CCC(n3cc(C4CC4)nn3)CC2)cn1 ZINC000019228068 EF Annotated Anodyne O=C(Nc1n[nH]c(Cc2ccccc2)n1)N[C@@H]1COC2(CCCC2)C1 ZINC000019228171 EF Annotated Anodyne O=C(Nc1n[nH]c(Cc2ccccc2)n1)N[C@H]1COC2(CCCC2)C1 ZINC000019228173 EF Annotated Anodyne COc1cccc2c1CCc1sc(CN3CCN(C)CC3)nc1-2 ZINC000019365605 EF Annotated Anodyne O=C1CCOC[C@]2(CN(Cc3ccccc3)C[C@H]2c2ccccc2)N1 ZINC000019372640 EF Annotated Anodyne CCOC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N ZINC000019534869 EF Annotated Mild Cn1cc(CN(C(=O)c2ccc([C@@H]3CCCN3)s2)C2CC2)cn1 ZINC000019745433 EF Annotated Anodyne Cn1cc(CN(C(=O)c2ccc([C@H]3CCCN3)s2)C2CC2)cn1 ZINC000019745435 EF Annotated Anodyne Cc1ncc2c(c1-c1noc(CCc3cc(Cl)no3)n1)CCNC2 ZINC000019760182 EF Annotated Anodyne CCCn1cnnc1CNC(=O)Nc1nc(-c2ccccc2)ns1 ZINC000019774076 EF Annotated Anodyne CNc1nc(C)c(-c2nc(-c3c(C)ncc4c3CCNC4)no2)s1 ZINC000019835504 EF Annotated Anodyne Cc1ncc2c(c1-c1noc(COCc3ccccc3)n1)CCNC2 ZINC000019839571 EF Annotated Anodyne Cc1cnc(NC[C@@H]2OCCc3ccccc32)nc1-c1ccnn1C ZINC000019840102 EF Annotated Anodyne Cc1cnc(NC[C@H]2OCCc3ccccc32)nc1-c1ccnn1C ZINC000019840104 EF Annotated Anodyne CNc1ncccc1CN1CCC(Cn2cc(C(C)(C)C)nn2)CC1 ZINC000019853335 EF Annotated Anodyne CO[C@@H](c1ccccc1)c1nc(-c2c(C)ncc3c2CCNC3)no1 ZINC000019885103 EF Annotated Anodyne CCCC(=O)N[C@@](NC1CCCCC1)(C(=O)OCC)C(F)(F)F ZINC000019943482 EF Annotated Anodyne CCCC(=O)N[C@](NC1CCCCC1)(C(=O)OCC)C(F)(F)F ZINC000019943485 EF Annotated Anodyne C[C@]12CC[C@@H]3[C@@H](CC[C@H]4[C@@](O)(C#N)[C@H](O)CC[C@]34C)[C@@H]1CCC(=O)O2 ZINC000195140856 EF Annotated Reactive C[C@]12CC[C@@H]3[C@H](CC[C@H]4[C@@](O)(C#N)[C@H](O)CC[C@]34C)[C@@H]1CCC(=O)O2 ZINC000195140870 EF Annotated Reactive C[C@]12CC[C@H]3[C@H](CC[C@@H]4[C@]3(C)CC[C@@H](O)[C@]4(O)C#N)[C@@H]1CCC(=O)O2 ZINC000195140880 EF Annotated Reactive C=C1CC[C@@H]2CC[C@@H]3C(=O)N/C(=C\[C@H](C)C[C@@H](O)C1)[C@@]3(O)C2(C)C ZINC000195231343 EF Annotated Mild CCOC(=O)CC[C@@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@@H](O1)[C@]34OO2 ZINC000195235854 EF Annotated Reactive CCOC(=O)CC[C@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@@H](O1)[C@]34OO2 ZINC000195235869 EF Annotated Reactive CCOC(=O)CC[C@@]12CC[C@H]3[C@H](C)CC[C@H]4CCO[C@@H](O1)[C@@]43OO2 ZINC000195235882 EF Annotated Reactive CCOC(=O)CC[C@]12CC[C@H]3[C@H](C)CC[C@H]4CCO[C@@H](O1)[C@@]43OO2 ZINC000195235892 EF Annotated Reactive O=C1NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccn3)[C@H]12 ZINC000195238606 EF Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccn3)[C@H]12 ZINC000195238618 EF Annotated Anodyne CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C(C)C)[C@H]3C2=O)c1 ZINC000195276958 EF Annotated Anodyne CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C(C)C)[C@@H]3C2=O)c1 ZINC000195276967 EF Annotated Anodyne CC(C)(C)[Si](C)(C)O[C@@]12C#C/C=C\C#C[C@H](O)C(=CCC1)C2=O ZINC000195286509 EF Annotated Reactive CC(C)(C)[Si](C)(C)O[C@@]12C#C/C=C/C#C[C@H](O)C(=CCC1)C2=O ZINC000195286517 EF Annotated Reactive CC(=O)C1=C(O)[C@H]2[C@@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O ZINC000195295401 EF Annotated Mild COC(=O)[C@H]1C[C@@]23C=CCN4CC[C@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@@H]43 ZINC000195303420 EF Annotated Anodyne CCOC(=O)c1cc(C)sc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O ZINC000195316481 EF Annotated Anodyne CC(C)(C)[Si](C)(C)O[C@@]12C#C/C=C\C#C[C@@H](O)C(=CCC1)C2=O ZINC000195326308 EF Annotated Reactive CC(C)(C)[Si](C)(C)O[C@@]12C#C/C=C/C#C[C@@H](O)C(=CCC1)C2=O ZINC000195326318 EF Annotated Reactive CC(=O)Nc1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)ccc1Cl ZINC000195344286 EF Annotated Anodyne CC(=O)Nc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)ccc1Cl ZINC000195344294 EF Annotated Anodyne COc1ccc2c(c1)CO[C@H]([C@@H](O)CO)[C@H]2/C=C\c1ccccc1 ZINC000195347446 EF Annotated Anodyne COc1ccc2c(c1)CO[C@H]([C@@H](O)CO)[C@H]2/C=C/c1ccccc1 ZINC000195347454 EF Annotated Anodyne Nc1ccc2c(c1)C[C@@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccccc1 ZINC000195384825 EF Annotated Anodyne COC(=O)[C@H]1[C@@H]2C[C@@H](C)[C@H](c3ccccc32)N1C(=O)C(F)(F)F ZINC000195403960 EF Annotated Anodyne COC(=O)[C@H]1[C@H]2C[C@@H](C)[C@H](c3ccccc32)N1C(=O)C(F)(F)F ZINC000195403967 EF Annotated Anodyne CC(=O)C[C@@H](O)CC(=O)[C@@H]1OC(=O)[C@H](C)C/C=C/Cc2ccccc21 ZINC000195407288 EF Annotated Anodyne COC(=O)c1cc(C)sc1NC(=O)[C@@H]1[C@@H]2C=C[C@H](CC2)[C@@H]1C(=O)O ZINC000195409993 EF Annotated Anodyne COC(=O)c1cc(C)sc1NC(=O)[C@H]1[C@@H]2C=C[C@H](CC2)[C@@H]1C(=O)O ZINC000195410000 EF Annotated Anodyne C[C@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)Nc1ccc(F)cc1)C(=O)N2 ZINC000195413702 EF Annotated Anodyne C=CCNC(=O)[C@@H]1C=C(OC)C(=O)C[C@H]2c3ccccc3C[C@@]12C ZINC000195414005 EF Annotated Mild C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@]2(C)CO)[C@H]1C/C=C1/CCOC1=O ZINC000195414356 EF Annotated Mild C[C@@]12C[C@@H]3O[S@@](=O)O[C@@H]3C[C@@H]3[C@@H]4[C@@H]([C@@H](OCc5ccccc5)[C@@H]31)[C@@H]42 ZINC000195421296 EF Annotated Mild C[C@]12C[C@@H]3O[S@@](=O)O[C@@H]3C[C@@H]3[C@@H]4[C@@H]([C@@H](OCc5ccccc5)[C@@H]31)[C@@H]42 ZINC000195421302 EF Annotated Mild C[C@@]12C[C@H]3O[S@@](=O)O[C@@H]3C[C@@H]3[C@@H]4[C@@H]([C@@H](OCc5ccccc5)[C@@H]31)[C@@H]42 ZINC000195421308 EF Annotated Mild C[C@]12C[C@H]3O[S@@](=O)O[C@@H]3C[C@@H]3[C@@H]4[C@@H]([C@@H](OCc5ccccc5)[C@@H]31)[C@@H]42 ZINC000195421315 EF Annotated Mild CN1[C@@H]2c3ccccc3[C@@H]3[C@H]1[C@@H]([N+](=O)[O-])[C@H]1c4ccccc4[C@@H]2[C@@H]3N1C ZINC000195440140 EF Annotated Bother O=C(Nc1ccccc1Br)[C@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)O ZINC000195445184 EF Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4cccc(Cl)c4)C(=O)[C@@H]13)O2 ZINC000195487069 EF Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4cccc(Cl)c4)C(=O)[C@@H]13)O2 ZINC000195487075 EF Annotated Anodyne C=C1[C@H]2CC[C@@]3(CC[C@@H]4[C@@]5(C)CCC[C@]4(C=[N+](CCO)C5)[C@H]3C2)[C@H]1O ZINC000195488789 EF Annotated Mild C=C1[C@H]2CC[C@@]3(CC[C@@H]4[C@]5(C)CCC[C@@]4(C=[N+](CCO)C5)[C@H]3C2)[C@H]1O ZINC000195488792 EF Annotated Mild C=C(C)[C@]12C[C@@H]3CC/C(=N/O)[C@@H](C1)[C@@]3(N1CCOCC1)C/C2=N/O ZINC000195491781 EF Annotated Mild C=C(C)[C@]12C[C@@H]3/C(=N\O)CC[C@H](C1)[C@]3(N1CCOCC1)C/C2=N/O ZINC000195491786 EF Annotated Mild C=C(C)[C@@]12C[C@@H]3/C(=N\O)CC[C@H](C1)[C@]3(N1CCOCC1)C/C2=N/O ZINC000195491789 EF Annotated Mild C[C@@]12CCC[C@@]3(OC1=O)[C@H]2C[C@H](O)[C@@]12C[C@H](CC[C@]13C)[C@](C)(O)C2 ZINC000195501017 EF Annotated Anodyne C[C@]1(O)C[C@]23C[C@@H]1CC[C@@]2(C)[C@]12CCC[C@](C)(C(=O)O1)[C@@H]2C[C@@H]3O ZINC000195501019 EF Annotated Anodyne COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)[C@H]1COC[C@H]12 ZINC000195501164 EF Annotated Anodyne COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)[C@H]1COC[C@@H]12 ZINC000195501167 EF Annotated Anodyne C[C@@]12C[C@H](c3ccccc3O1)[C@@H](C(=O)Nc1cccc(F)c1)C(=O)N2 ZINC000195501230 EF Annotated Anodyne C[C@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)Nc1cccc(F)c1)C(=O)N2 ZINC000195501231 EF Annotated Anodyne O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)O[C@H]1[C@@H]2CC[C@@H]1C[C@H]1O[C@@H]21 ZINC000195515494 EF Annotated Bother O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)O[C@@H]1[C@@H]2CC[C@@H]1C[C@H]1O[C@@H]21 ZINC000195515497 EF Annotated Bother C/C1=C/CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CC[C@@H](F)C3)[C@@H]2CC1 ZINC000195518170 EF Annotated Anodyne C/C1=C/CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CC[C@H](F)C3)[C@@H]2CC1 ZINC000195518330 EF Annotated Anodyne CN1C[C@@H]2CC[C@@H]1[C@@H](CNC(=O)c1ccc(Br)cc1)C2 ZINC000195524258 EF Annotated Anodyne CN1C[C@H]2CC[C@@H]1[C@@H](CNC(=O)c1ccc(Br)cc1)C2 ZINC000195524260 EF Annotated Anodyne CN1N=C2/C(=C/c3ccccc3)CN(C(=N)N)C[C@H]2[C@@H]1c1ccccc1 ZINC000196482099 EF Annotated Anodyne CN1N=C2/C(=C/c3ccccc3)CN(C(=N)N)C[C@@H]2[C@H]1c1ccccc1 ZINC000196482109 EF Annotated Anodyne CN1N=C2/C(=C/c3ccccc3)CN(C(=N)N)C[C@H]2[C@H]1c1ccccc1 ZINC000196482119 EF Annotated Anodyne CN1CCc2cc3c(cc2CCc2ccc4c(c2C1)OCO4)OCO3 ZINC000196700591 EF Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@@H]4C(=O)OC ZINC000197346072 EF Annotated Anodyne C/C(=C\C=C\[C@H](C)/C=C/CC(C)C)[C@H]1[C@@H](O)C=C(CO)C(=O)[C@@H]1O ZINC000197431919 EF Annotated Mild COC(=O)[C@H]1C[C@@]23C=CCN4CC[C@@]5(c6ccccc6N[C@]15[C@H]2C)[C@@H]43 ZINC000197877494 EF Annotated Anodyne COc1ccc2c(c1)CO[C@H]([C@H](O)CO)[C@H]2/C=C\c1ccccc1 ZINC000198015479 EF Annotated Anodyne CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)n1 ZINC000198023946 EF Annotated Mild O=C1OCC2=C1[C@H](c1ccccc1)c1cc3c(cc1N2CCO)CCC3 ZINC000198346507 EF Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccccc1)c1cc3c(cc1N2CCO)CCC3 ZINC000198346518 EF Annotated Anodyne CN(C)CCSSCCNC(=O)c1c(N)cccc1Cl ZINC000198572939 EF Annotated Reactive CC(C)C1=CC[C@@]23OC(=O)[C@@]24CCCC(C)(C)[C@@H]4CC[C@]3(O)[C@H]1O ZINC000198611179 EF Annotated Anodyne CC[C@@H](O)C#CC#C/C=C/[C@@H](O)CCCCCCCCOC(C)=O ZINC000198709993 EF Annotated Mild CCOCCO[C@@H]1C(=O)N(C(=O)OC(C)(C)C)[C@H]1c1ccccc1 ZINC000198722430 EF Annotated Anodyne CCOCCO[C@H]1C(=O)N(C(=O)OC(C)(C)C)[C@@H]1c1ccccc1 ZINC000198722449 EF Annotated Anodyne CCOCCO[C@@H]1C(=O)N(C(=O)OC(C)(C)C)[C@@H]1c1ccccc1 ZINC000198722460 EF Annotated Anodyne CC[C@H](O)C#CC#C[C@H](O)/C=C\CCCCCCCCOC(C)=O ZINC000198728318 EF Annotated Mild COc1c(N)c2c3c(cc4ccccc4c3c1OC)N(C)C(=O)C2=O ZINC000198734984 EF Annotated Bother Cc1nc2[nH]c(=O)[nH]c(=O)c2cc1Cc1ccc(C(F)(F)F)cc1 ZINC000198833861 EF Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cn[nH]c3C2)CS[C@@H]1c1cc(F)ccc1F ZINC000199085235 EF Annotated Anodyne NC(=O)c1ccc[n+](Cc2ccc(CN3C=CC(=CN=O)C=C3)cc2)c1 ZINC000199155027 EF Annotated Anodyne NC(=O)c1cc[n+](Cc2ccc(CN3C=CC(=CN=O)C=C3)cc2)cc1 ZINC000199155059 EF Annotated Anodyne NC(=O)c1ccc[n+](Cc2ccc(CN3C=CC=C/C3=C\N=O)cc2)c1 ZINC000199157737 EF Annotated Anodyne NC(=O)c1cc[n+](Cc2ccc(CN3C=CC=C/C3=C\N=O)cc2)cc1 ZINC000199157760 EF Annotated Anodyne NC(=O)c1ccc[n+](Cc2cccc(CN3C=CC(=CN=O)C=C3)c2)c1 ZINC000199157781 EF Annotated Anodyne NC(=O)c1cc[n+](Cc2cccc(CN3C=CC(=CN=O)C=C3)c2)cc1 ZINC000199157804 EF Annotated Anodyne NC(=O)c1ccc[n+](Cc2cccc(CN3C=CC=C/C3=C\N=O)c2)c1 ZINC000199157845 EF Annotated Anodyne NC(=O)c1cc[n+](Cc2cccc(CN3C=CC=C/C3=C\N=O)c2)cc1 ZINC000199160303 EF Annotated Anodyne NC(=O)c1ccc[n+](Cc2ccccc2CN2C=CC(=CN=O)C=C2)c1 ZINC000199160325 EF Annotated Anodyne NC(=O)c1cc[n+](Cc2ccccc2CN2C=CC(=CN=O)C=C2)cc1 ZINC000199160348 EF Annotated Anodyne NC(=O)c1ccc[n+](Cc2ccccc2CN2C=CC=C/C2=C\N=O)c1 ZINC000199160384 EF Annotated Anodyne NC(=O)c1cc[n+](Cc2ccccc2CN2C=CC=C/C2=C\N=O)cc1 ZINC000199160405 EF Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccco1 ZINC000199208104 EF Annotated Anodyne CC(C)(C)NC(=O)[C@H]1c2ccccc2OCC(=O)N1Cc1ccco1 ZINC000199208120 EF Annotated Anodyne COC(=O)[C@@]1(Sc2ccc(C)cc2)CC(=O)N[C@@H]1c1ccco1 ZINC000199210778 EF Annotated Anodyne CCCCn1nnnc1[C@]1(C)CCC(=O)N1Cc1cccc(F)c1 ZINC000199214297 EF Annotated Anodyne CCCCn1nnnc1[C@@]1(C)CCC(=O)N1Cc1cccc(F)c1 ZINC000199214313 EF Annotated Anodyne CCCCn1nnnc1[C@]1(C)CCC(=O)N1Cc1ccc(F)cc1 ZINC000199214348 EF Annotated Anodyne CCCCn1nnnc1[C@@]1(C)CCC(=O)N1Cc1ccc(F)cc1 ZINC000199214366 EF Annotated Anodyne CCCCn1nnnc1[C@]1(C)CCC(=O)N1Cc1ccc(C)cc1 ZINC000199214399 EF Annotated Anodyne CCCCn1nnnc1[C@@]1(C)CCC(=O)N1Cc1ccc(C)cc1 ZINC000199214415 EF Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1cc2ccccc2o1)N1CCOCC1 ZINC000199217521 EF Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1cc2ccccc2o1)N1CCOCC1 ZINC000199217534 EF Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](c1ccncc1)N1CCN(C)CC1 ZINC000199245524 EF Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1ccncc1)N1CCN(C)CC1 ZINC000199245537 EF Annotated Anodyne Oc1cccc2c1[C@@H](O)C[C@@H](O)C21Oc2cccc3cccc(c23)O1 ZINC000199263828 EF Annotated Anodyne Oc1cccc2c1[C@H](O)C[C@@H](O)C21Oc2cccc3cccc(c23)O1 ZINC000199263846 EF Annotated Anodyne N#C[C@H]1c2ccccc2-n2nncc2CN1C(=O)c1ccccc1F ZINC000199388103 EF Annotated Mild N#C[C@@H]1c2ccccc2-n2nncc2CN1C(=O)c1ccccc1F ZINC000199388121 EF Annotated Mild COCCN1C(=O)CC[C@]1(C)C(=O)Nc1ccc2ccccc2c1 ZINC000199397118 EF Annotated Anodyne COCCN1C(=O)CC[C@@]1(C)C(=O)Nc1ccc2ccccc2c1 ZINC000199397138 EF Annotated Anodyne C=CCNC1=N[C@@H](c2cccc(Cl)c2)C(C(=O)OC)=C(C)N1C ZINC000199422336 EF Annotated Mild C=CCNC1=N[C@H](c2cccc(Cl)c2)C(C(=O)OC)=C(C)N1C ZINC000199422352 EF Annotated Mild C=CCNC1=N[C@@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N1C ZINC000199422445 EF Annotated Mild C=CCNC1=N[C@H](c2ccc(Cl)cc2)C(C(=O)OC)=C(C)N1C ZINC000199422457 EF Annotated Mild COC(=O)C1=C(C)N(C)C(NCC2CC2)=N[C@H]1c1cccc(F)c1 ZINC000199423140 EF Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCC2CC2)=N[C@@H]1c1cccc(F)c1 ZINC000199423156 EF Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCC2CC2)=N[C@H]1c1ccc(F)cc1 ZINC000199423247 EF Annotated Anodyne COC(=O)C1=C(C)N(C)C(NCC2CC2)=N[C@@H]1c1ccc(F)cc1 ZINC000199423259 EF Annotated Anodyne C=CCNC1=N[C@@H](CCc2ccccc2)C(C(=O)OC)=C(C)N1C ZINC000199426173 EF Annotated Mild C=CCNC1=N[C@H](CCc2ccccc2)C(C(=O)OC)=C(C)N1C ZINC000199426187 EF Annotated Mild COc1ccc(Cc2coc3c(C=O)c(O)c(C)c(O)c3c2=O)cc1 ZINC000199432506 EF Annotated Anodyne COc1ccc(C[C@@H]2COc3c(C=O)c(O)c(C)c(O)c3C2=O)cc1 ZINC000199432545 EF Annotated Anodyne CCN(CC)CCCNC(=O)c1cc2cc(Cl)ccc2nc1N ZINC000199708597 EF Annotated Anodyne CCc1cc2c(nc1CC)CCCN2S(=O)(=O)c1c(C)noc1C ZINC000199725924 EF Annotated Anodyne C=CCN1C(=O)c2n[nH]c(C(C)C)c2[C@H]1c1ccc2c(c1)OCO2 ZINC000199728852 EF Annotated Mild C=CCN1C(=O)c2n[nH]c(C(C)C)c2[C@@H]1c1ccc2c(c1)OCO2 ZINC000199728867 EF Annotated Mild Cc1cc2c(c(=O)o1)[C@@]1(C(=O)Nc3ccccc31)C1=C(CCCC1=O)O2 ZINC000199741394 EF Annotated Mild CC(=O)C1=C(C)OC2=C(C(=O)CCC2)[C@@]12C(=O)N(C)c1ccccc12 ZINC000199741739 EF Annotated Mild CC(C)/C1=C/C=C(\CO)CC/C=C(\CO)CC[C@H](O)[C@@](C)(O)CC1 ZINC000199852436 EF Annotated Anodyne C[C@@H]1CC=C2[C@H](CCC[C@@]2(O)CO)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000199928837 EF Annotated Anodyne CCOCn1c(Cc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O ZINC000002008220 EF Annotated Anodyne in-vivo COC(=O)N1c2ccccc2NC(=O)[C@@]1(C#CC1CC1)C(F)(F)F ZINC000002008766 EF Annotated Mild C=C1[C@H]2CC[C@@]3(CC[C@H]4[C@]5(C=[N+](CCO)C[C@]4(C)CCC5)[C@H]3C2)[C@H]1O ZINC000002026558 EF Annotated Mild CCOP(=S)(OCC)SCn1nnc2ccccc2c1=O ZINC000002035978 EF Annotated Reactive in-vitro CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC ZINC000002036016 EF Annotated Reactive in-man COC(=O)[C@H]1CS[C@]2(c3ccccc3)c3ccccc3C(=O)N12 ZINC000002047322 EF Annotated Anodyne Nc1cc(=O)nc(SCCOc2ccccc2)n1-c1ccccc1 ZINC000002179565 EF Annotated Anodyne C=CCS/C(=N/n1cnc2ccccc2c1=O)N1CCCCC1 ZINC000002189956 EF Annotated Mild O=C(NC1CC1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000002456048 EF Annotated Anodyne O=C(NC1CC1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000002456049 EF Annotated Anodyne O=C(NC1CC1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000002456050 EF Annotated Anodyne O=C(NC1CC1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000002456052 EF Annotated Anodyne COC1=N[C@@H]2Nc3ccccc3N(C)[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002459134 EF Annotated Anodyne CCN(CC)CCNC(=O)[C@@]1(C)CON=C1c1ccc(Cl)cc1 ZINC000002461222 EF Annotated Anodyne CCN(CC)CCNC(=O)[C@]1(C)CON=C1c1ccc(Cl)cc1 ZINC000002461223 EF Annotated Anodyne C[C@]1(C(=O)N[C@H]2CCCC[C@H]2O)CON=C1c1ccc(Cl)cc1 ZINC000002462462 EF Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@]1(C)CON=C1c1ccc(Cl)cc1 ZINC000002462913 EF Annotated Anodyne COc1cccc(-n2cc(-c3cc4ccccc4oc3=O)[nH]c2=O)c1 ZINC000002466204 EF Annotated Anodyne CCN(CC)CCNC(=O)[C@@]1(C)CON=C1c1cccc(Cl)c1 ZINC000002470327 EF Annotated Anodyne CCN(CC)CCNC(=O)[C@]1(C)CON=C1c1cccc(Cl)c1 ZINC000002470328 EF Annotated Anodyne C[C@]1(C(=O)N[C@H]2CCCC[C@H]2O)CON=C1c1cccc(Cl)c1 ZINC000002470686 EF Annotated Anodyne O=C(NCCO)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 ZINC000002480219 EF Annotated Anodyne O=C(NCCO)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 ZINC000002480293 EF Annotated Anodyne COc1ccc(-c2noc(-c3ccsc3)c2C(=O)NCCO)cc1 ZINC000002480973 EF Annotated Anodyne COCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccoc1 ZINC000002480986 EF Annotated Anodyne O=C(NCCO)c1c(-c2ccccc2F)noc1-c1ccsc1 ZINC000002483220 EF Annotated Anodyne CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCO ZINC000002483761 EF Annotated Anodyne CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCO)cc1 ZINC000002483830 EF Annotated Anodyne CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NCCO)c1 ZINC000002483898 EF Annotated Anodyne CCOC(=O)C1=C[C@H]2c3ccc(Br)cc3C=C[C@H]2OC1=O ZINC000002486715 EF Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4cccc(Cl)c4)C(=O)[C@@H]13)O2 ZINC000002487807 EF Annotated Anodyne Cc1c(/N=C2\C(=O)Oc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000002491995 EF Annotated Mild COCCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492251 EF Annotated Anodyne COCCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492253 EF Annotated Anodyne COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(O)c(OC)c1)NCC2 ZINC000002496409 EF Annotated Anodyne CCCCCCN1C(=O)NC(=O)/C(=C\c2ccc(OC)cc2)C1=O ZINC000002496561 EF Annotated Clean CCCN(CCOC)c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1 ZINC000002497997 EF Annotated Anodyne CSCCc1nc2nc(N(C)C3CCCCC3)ccc2[nH]c1=O ZINC000002499556 EF Annotated Anodyne CCCCCCN(CCO)c1ccc2[nH]c(=O)c(CC(C)C)nc2n1 ZINC000002499612 EF Annotated Anodyne CCCCCCN(CCO)c1ccc2[nH]c(=O)c(C(C)C)nc2n1 ZINC000002499680 EF Annotated Anodyne CC[C@H]1CCCCN1c1ccc2[nH]c(=O)c(CCSC)nc2n1 ZINC000002499893 EF Annotated Anodyne CC[C@@H]1CCCCN1c1ccc2[nH]c(=O)c(CCSC)nc2n1 ZINC000002499894 EF Annotated Anodyne CSCCc1nc2nc(N3C[C@@H](C)C[C@@H](C)C3)ccc2[nH]c1=O ZINC000002499947 EF Annotated Anodyne CSCCc1nc2nc(N3C[C@H](C)C[C@@H](C)C3)ccc2[nH]c1=O ZINC000002499948 EF Annotated Anodyne CSCCc1nc2nc(N3C[C@@H](C)C[C@H](C)C3)ccc2[nH]c1=O ZINC000002499950 EF Annotated Anodyne CC(C)[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCSCC1 ZINC000020098457 EF Annotated Anodyne CC(C)[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCSCC1 ZINC000020098459 EF Annotated Anodyne CN(CCc1cnn(C)c1)Cc1cn(C)nc1-c1ccccc1F ZINC000020166172 EF Annotated Anodyne Cc1nnn(C23C[C@H]4C[C@H](CC(C(=O)N5CCCCCC5)(C4)C2)C3)n1 ZINC000020177598 EF Annotated Anodyne Cc1nc(Nc2ccccc2)nc2c1[nH]c(=O)c(=O)n2-c1ccccc1 ZINC000020178631 EF Annotated Anodyne CCc1ocnc1C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000020201604 EF Annotated Anodyne CCCCc1nc(-c2nc3c(cnn3C3CCN(C)CC3)[nH]2)c[nH]1 ZINC000020202113 EF Annotated Anodyne OCC[C@@H]1CN(C/C=C/c2ccco2)CCN1Cc1ccccc1 ZINC000020205772 EF Annotated Anodyne O=C(Cn1nnc2ccccc21)Nc1ccnn1C[C@H]1CC=CCC1 ZINC000020209305 EF Annotated Anodyne O=C(Cn1nnc2ccccc21)Nc1ccnn1C[C@@H]1CC=CCC1 ZINC000020209309 EF Annotated Anodyne COCCN1CCC[C@@]2(CCN(Cc3nc4c(s3)CCCC4)C2)C1 ZINC000020212260 EF Annotated Anodyne COCCN1CCC[C@]2(CCN(Cc3nc4c(s3)CCCC4)C2)C1 ZINC000020212264 EF Annotated Anodyne CC(C)OCc1cc(CN2CCN(C)CC2)c(O)c2ncccc12 ZINC000020439874 EF Annotated Clean COc1ccc(Nc2nn(-c3ccc(F)cc3)nc2C(C)=O)cn1 ZINC000020446732 EF Annotated Anodyne COc1ccc2[nH]c(CN3CCN(C(C)C)[C@@H](CCO)C3)c(C)c2c1 ZINC000020455946 EF Annotated Anodyne CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1NCc1ccccn1 ZINC000020465395 EF Annotated Anodyne CC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1NCCCOC(C)C ZINC000020465520 EF Annotated Anodyne Cc1c(O)nc(-c2ccc(CN(C)CCO)cc2)nc1C(F)(F)F ZINC000020472413 EF Annotated Anodyne COc1c(O)c2c(c(OC)c1OC)C(=O)c1ccc(C)cc1C2=O ZINC000200003667 EF Annotated Clean CSc1nc2n(n1)c1ccccc1c1nnc(-c3ccncc3)n12 ZINC000200312479 EF Annotated Bother C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H]1O[C@@]1(C)CC[C@H]1O[C@]1(C)/C=C/C2=O ZINC000200461973 EF Annotated Mild C=C1CCC(=O)[C@@]2(C)CC[C@H](C[C@H](O)[C@@]3(C)CC[C@@H]1O3)C(=C)C(=O)O2 ZINC000200462069 EF Annotated Mild N#Cc1cn(-c2cc(C(=O)O)ccn2)cc1-c1ccc2c(c1)OCCO2 ZINC000200833031 EF Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)cc2)cc1C(=O)NCc1ccccc1 ZINC000200838494 EF Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)cc2)nc1NC(=O)Cc1ccccc1 ZINC000200839882 EF Annotated Mild O=C(NO)c1ccc(N[C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC000200991222 EF Annotated Anodyne O=C(NO)c1ccc(N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC000200991260 EF Annotated Anodyne CC[C@H](C)N([C@H](C)CC)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000201438905 EF Annotated Anodyne CC[C@H](C)N([C@@H](C)CC)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000201438941 EF Annotated Anodyne CC[C@@H](C)N([C@H](C)CC)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000201438978 EF Annotated Anodyne COc1cc2c(c(OC)c1OC)C(=O)[C@@H](Cc1ccccc1O)CO2 ZINC000202226591 EF Annotated Anodyne COC(=O)N1C(=O)[C@@](c2ccc(Cl)cc2)(C(C)C)N1C(=O)OC ZINC000203290272 EF Annotated Anodyne CC1=CC(=O)C(C(C)C)=C/C1=N\OS(=O)(=O)c1ccc(F)cc1 ZINC000203290435 EF Annotated Mild N#C[C@@H](c1ccccc1)C1CCN(S(=O)(=O)CCCCl)CC1 ZINC000203403529 EF Annotated Reactive Cc1cccc(Cl)c1Cn1nc(C)c2ncc(-c3nn[nH]n3)cc21 ZINC000203424046 EF Annotated Anodyne NC(N)=NC(=O)N1CCc2c(F)ccc(-c3c(F)cccc3F)c2C1 ZINC000203431631 EF Annotated Mild CCOC(=O)c1cccc(-c2cc(C(C)=O)c3n(c2=O)CCC3)c1 ZINC000203460044 EF Annotated Anodyne CC(=O)c1cc(-c2cnn(Cc3ccccc3)c2)c(=O)n2c1CCC2 ZINC000203461078 EF Annotated Anodyne N#Cc1cccc(-n2cc(COC(=O)NCCc3ccccc3)nn2)c1 ZINC000203462785 EF Annotated Mild COC(=O)[C@H]1C[C@@]2(n3ccc4ccccc43)c3ccccc3N[C@H]2N1 ZINC000203463834 EF Annotated Anodyne CC(=O)N1c2ccccc2C(C)=NC[C@@H]1C(=O)NC1CCCCC1 ZINC000203464065 EF Annotated Anodyne CC(=O)N1c2ccccc2C(C)=NC[C@H]1C(=O)NC1CCCCC1 ZINC000203464071 EF Annotated Anodyne CCCCCn1nnnc1[C@]1(C)CCCC(=O)N1Cc1ccco1 ZINC000203465311 EF Annotated Anodyne CCCCCn1nnnc1[C@@]1(C)CCCC(=O)N1Cc1ccco1 ZINC000203465315 EF Annotated Anodyne Cn1c2ccccc2c(=O)c2c(=O)n(CCCc3ccccc3)cnc21 ZINC000203467077 EF Annotated Bother O=c1c2cc3cc4c(cc3nc2ncn1CCc1ccccc1)OCO4 ZINC000203467119 EF Annotated Bother C[C@H]1Cn2nnc(-c3ccccc3)c2Cn2c3ccccc3c(=O)n21 ZINC000203473824 EF Annotated Anodyne CC(=O)[C@@]1(C(=O)Nc2cc(C)cc(C)c2)CC(c2ccccn2)=NO1 ZINC000203474269 EF Annotated Anodyne CC(=O)[C@]1(C(=O)Nc2cc(C)cc(C)c2)CC(c2ccccn2)=NO1 ZINC000203474276 EF Annotated Anodyne O=c1n(-c2ccc(F)cn2)ccc2nc(COc3ccccc3)cn12 ZINC000203690087 EF Annotated Anodyne Cc1ccc(-n2ccc3nc(COc4ccccc4)cn3c2=O)nc1 ZINC000203690094 EF Annotated Anodyne O=c1n(-c2ccc(F)cc2)ccc2nc(COc3ccccn3)cn12 ZINC000203691902 EF Annotated Anodyne Cc1ccnc(-n2ccc3nc(COc4ccccc4)cn3c2=O)c1 ZINC000203691914 EF Annotated Anodyne COc1ccc(C#Cc2ccc(F)c(CN[C@@H](CO)C(C)C)n2)cc1 ZINC000204407147 EF Annotated Mild CC(C)[C@H](CO)NCc1nc(C#Cc2ccc(F)cc2)ccc1F ZINC000204407908 EF Annotated Mild CC(C)[C@H](CO)NCc1cccc(C#Cc2ccc(F)c(F)c2)n1 ZINC000204408218 EF Annotated Mild CC(C)[C@H](CO)NCc1cccc(C#Cc2ccc(F)cc2F)n1 ZINC000204409685 EF Annotated Mild CC(C)[C@H](CO)NCc1nc(N2Cc3ccc(F)cc3C2)ccc1F ZINC000204412900 EF Annotated Anodyne CC(C)[C@H](CO)NCc1nc(N2CCc3ccccc3C2)ccc1F ZINC000204414796 EF Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cn[nH]c3C2)CS[C@H]1c1cc(F)ccc1F ZINC000204414999 EF Annotated Anodyne CC(C)[C@H](CO)NCc1nc(N2CCC(F)(F)CC2)ccc1F ZINC000204416329 EF Annotated Anodyne CC(C)[C@H](CO)NCc1nc(N2Cc3cccc(F)c3C2)ccc1F ZINC000204416494 EF Annotated Anodyne CC(C)[C@H](CO)NCc1nc(N2CC[C@H](C(F)(F)F)C2)ccc1F ZINC000204419126 EF Annotated Anodyne CC(C)[C@H](CO)NCc1nc(N2CC[C@@H](C(F)(F)F)C2)ccc1F ZINC000204419150 EF Annotated Anodyne CC(C)[C@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)nc2)n1 ZINC000204421145 EF Annotated Anodyne CC(C)[C@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cn2)n1 ZINC000204424490 EF Annotated Anodyne COC[C@@H]1CCCN(C(=O)c2ccc(NCCc3ccco3)nc2)C1 ZINC000020500958 EF Annotated Anodyne COC[C@H]1CCCN(C(=O)c2ccc(NCCc3ccco3)nc2)C1 ZINC000020500960 EF Annotated Anodyne Cn1c(CN2CCc3[nH]nc(-c4ccccc4)c3C2)nc2cccnc21 ZINC000020514378 EF Annotated Anodyne CCCn1cc(NC(=O)Cn2cc(C)c(-c3ccc(C)s3)n2)nn1 ZINC000020516061 EF Annotated Anodyne CCn1cnc(NC(=O)N(C)Cc2ccc(OC)c3ncccc23)n1 ZINC000020541817 EF Annotated Anodyne Cc1ncc2c(c1-c1noc(-c3c(C)nc4ccccn34)n1)CCNC2 ZINC000020543091 EF Annotated Anodyne Cc1nc(Cc2nc(-c3c(C)ncc4c3CCNC4)no2)c(C)s1 ZINC000020560663 EF Annotated Anodyne Cc1ncsc1CCc1nc(-c2c(C)ncc3c2CCNC3)no1 ZINC000020568854 EF Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)C1CCCCC1 ZINC000020574881 EF Annotated Anodyne C1=C(c2ccccc2)CCN(c2nn3nnnc3c3ccccc23)C1 ZINC000020579866 EF Annotated Anodyne CC(C)=CCN1CCN(Cc2ccc3nsnc3c2)C[C@@H]1CCO ZINC000020599928 EF Annotated Anodyne O=C(O)Cn1cccc1/C=N\c1nnc(N2CCCCCC2)s1 ZINC000020677157 EF Annotated Mild CCCn1cnc(NC(=O)N[C@@H](c2cccnc2)C(F)(F)F)n1 ZINC000020775307 EF Annotated Anodyne CCCn1cnc(NC(=O)N[C@H](c2cccnc2)C(F)(F)F)n1 ZINC000020775310 EF Annotated Anodyne COc1ccc(-c2cccc(-c3ccn(CCCN(C)C)n3)c2)nn1 ZINC000020777322 EF Annotated Anodyne Cc1ccc(SC2CCN(C(=O)CN3CCOC3=O)CC2)cc1 ZINC000020777907 EF Annotated Anodyne Cc1ncc2c(c1-c1noc(-c3noc4c3CCCC4)n1)CCNC2 ZINC000020854472 EF Annotated Anodyne O=C(Cn1ncc2cccnc21)Nc1ccnn1CC1CCCCC1 ZINC000020859369 EF Annotated Anodyne CCN1CCC[C@@H]1CNC1=NS(=O)(=O)C(c2ccc(C)cc2)=C1C ZINC000020900802 EF Annotated Anodyne CCN1CCC[C@H]1CNC1=NS(=O)(=O)C(c2ccc(C)cc2)=C1C ZINC000020900804 EF Annotated Anodyne C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)c1nc(-c2cccnc2)no1 ZINC000020902350 EF Annotated Anodyne C[C@H]1CCC[C@@H](C)N1CCCNC(=O)c1nc(-c2cccnc2)no1 ZINC000020902351 EF Annotated Anodyne C[C@H]1CCC[C@H](C)N1CCCNC(=O)c1nc(-c2cccnc2)no1 ZINC000020902354 EF Annotated Anodyne CN(C)CCn1ccc(-c2cccc(-c3cc(N(C)C)ncn3)c2)n1 ZINC000020905562 EF Annotated Anodyne Cn1ccnc1CN1CCC(Cn2cc(-c3ccccc3)nn2)CC1 ZINC000020906676 EF Annotated Anodyne CCN1CCC[C@@H](N2CCc3[nH]nc(-c4cccc(OC)c4)c3C2)C1 ZINC000020919845 EF Annotated Anodyne CCN1CCC[C@H](N2CCc3[nH]nc(-c4cccc(OC)c4)c3C2)C1 ZINC000020919853 EF Annotated Anodyne CCCN(CCC)C(=O)C1CCN(c2ncnc3onc(C)c23)CC1 ZINC000020944925 EF Annotated Anodyne CCCCN(CC)C(=O)C1CCN(c2ncnc3onc(C)c23)CC1 ZINC000020944987 EF Annotated Anodyne Cc1ncc(CN2CCN(Cc3ccsc3)[C@@H](CCO)C2)s1 ZINC000020993500 EF Annotated Anodyne CC(C)CN1C[C@@H](c2ncc(-c3ccc4c(c3)OCCO4)[nH]2)CC1=O ZINC000020993978 EF Annotated Anodyne CC(C)CN1C[C@H](c2ncc(-c3ccc4c(c3)OCCO4)[nH]2)CC1=O ZINC000020993981 EF Annotated Anodyne Cc1nc(C)c(CN2CCC(Cn3cc(C4CC4)nn3)CC2)nc1C ZINC000020998644 EF Annotated Anodyne O=C(NCCc1cn2ccccc2n1)c1ccc([C@@H]2CCCN2)s1 ZINC000020999093 EF Annotated Anodyne O=C(NCCc1cn2ccccc2n1)c1ccc([C@H]2CCCN2)s1 ZINC000020999094 EF Annotated Anodyne Cc1ncc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)s1 ZINC000020999380 EF Annotated Anodyne N#Cc1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000205062750 EF Annotated Mild N#Cc1ccc(Nc2nn([C@H]3CCCC[C@H]3C#N)cc2C(N)=O)cc1 ZINC000205062789 EF Annotated Mild COc1cc2c3c(cc(O)c2cc1C)C(C)(C)C(=O)OC(=O)[C@H]3OC ZINC000205097350 EF Annotated Reactive N#Cc1ccccc1C[S@@](=O)c1nnc2c(n1)[nH]c1ccccc12 ZINC000205099313 EF Annotated Mild N#Cc1ccccc1C[S@](=O)c1nnc2c(n1)[nH]c1ccccc12 ZINC000205099333 EF Annotated Mild C#CCN1C(=O)[C@@](O)(c2cn(C)c3ccccc23)c2cc(F)ccc21 ZINC000205213537 EF Annotated Mild COc1c(O)c(OC)c2c(c1OC)C(=O)c1ccc(C)cc1C2=O ZINC000205264006 EF Annotated Clean CC1=CC(=O)[C@@H]2[C@H](CC1)[C@@]1(C)C(=O)C[C@@H](C(C)C)[C@H]3OC(=O)[C@@H]2[C@H]31 ZINC000205649207 EF Annotated Mild Cc1cccc2c1CC[C@H]1CN(Cc3ccccc3)S(=O)(=O)N21 ZINC000205703504 EF Annotated Anodyne Cc1cccc2c1CC[C@@H]1CN(Cc3ccccc3)S(=O)(=O)N21 ZINC000205703528 EF Annotated Anodyne O=C1CCC[C@H]2C[C@H](NCCc3ccncc3)CC[C@]23CCCN13 ZINC000205706135 EF Annotated Anodyne C/C(=C/Cc1ccc2oc3cc(C)cc(CO)c3c(=O)c2c1O)CO ZINC000205742983 EF Annotated Bother COC(=O)C[C@H]1C[C@H](OC)CC2=C1C(=O)C[C@@H](c1ccccc1)O2 ZINC000205750280 EF Annotated Mild CC[C@@]12CCCN3C(=O)C[C@H]4c5cc(O)ccc5N(C(=O)CC1)[C@]432 ZINC000205784242 EF Annotated Anodyne CO[C@H]1C[C@]2(C)c3ccc4c(c3C(=O)c3occ(c32)[C@H]1O)CCC4=O ZINC000205839225 EF Annotated Anodyne COc1ccc2c(c1)C[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C(N)=O ZINC000205840271 EF Annotated Anodyne Cc1cc2nc([C@@H]3C(=O)NCC4=Nc5ccccc5CN43)[nH]c2cc1C ZINC000205860087 EF Annotated Anodyne Cc1cc2nc([C@H]3C(=O)NCC4=Nc5ccccc5CN43)[nH]c2cc1C ZINC000205860104 EF Annotated Anodyne CC(C)C1=C2CC=C3C(=O)O[C@]4(O)C[C@H](C)[C@H](C[C@@]2(C)C[C@@H]1O)[C@H]34 ZINC000205965756 EF Annotated Anodyne Cc1oncc1S(=O)(=O)N1CCC(c2noc3ccccc23)CC1 ZINC000206032117 EF Annotated Anodyne O=S(=O)(c1cccnc1)N1CCC(c2noc3ccccc23)CC1 ZINC000206032137 EF Annotated Anodyne N#C[C@H](c1ccccc1)C1CCN(S(=O)(=O)CCCCl)CC1 ZINC000206036157 EF Annotated Reactive COc1cccc2c1N[C@]1(C)c3ccccc3-n3nncc3CN1C2=O ZINC000206036664 EF Annotated Anodyne COc1cccc2c1N[C@@]1(C)c3ccccc3-n3nncc3CN1C2=O ZINC000206036692 EF Annotated Anodyne COc1cc(/C=C/CO)cc2c1O[C@H](c1ccc(O)cc1)[C@H]2CO ZINC000206048373 EF Annotated Anodyne COc1ccc(C2=NC[C@@H](C)n3c2c2ccc(OC)cc2[n+]3[O-])cc1 ZINC000206061123 EF Annotated Anodyne COc1ccc(C2=NC[C@H](C)n3c2c2ccc(OC)cc2[n+]3[O-])cc1 ZINC000206061144 EF Annotated Anodyne CC(C)(C)OC(=O)N1Cc2cc(B3OC(C)(C)C(C)(C)O3)cnc2C1 ZINC000206078379 EF Annotated Mild CC1(C)OB(c2c(OC3CC3)ccnc2C(F)(F)F)OC1(C)C ZINC000206127845 EF Annotated Mild CC1(C)OB(c2c(OC3CC3)cncc2C(F)(F)F)OC1(C)C ZINC000206127939 EF Annotated Mild CC1(C)OB(c2cc(OC3CC3)cnc2C(F)(F)F)OC1(C)C ZINC000206128169 EF Annotated Mild CC1(C)OB(c2cc(C(F)(F)F)ncc2OC2CC2)OC1(C)C ZINC000206128694 EF Annotated Mild CC1(C)OB(c2cc(OC3CC3)cc(C(F)(F)F)n2)OC1(C)C ZINC000206128937 EF Annotated Mild CC1(C)OB(c2ccc(OC3CC3)c(C(F)(F)F)n2)OC1(C)C ZINC000206129390 EF Annotated Mild CC1(C)OB(c2ccnc(C(F)(F)F)c2OC2CC2)OC1(C)C ZINC000206130162 EF Annotated Mild CC1(C)OB(c2cnc(C(F)(F)F)c(OC3CC3)c2)OC1(C)C ZINC000206130415 EF Annotated Mild CC1(C)OB(c2cnc(C(F)(F)F)cc2OC2CC2)OC1(C)C ZINC000206130489 EF Annotated Mild CC1(C)OB(c2cncc(C(F)(F)F)c2OC2CC2)OC1(C)C ZINC000206130634 EF Annotated Mild CC1(C)OB(c2cncc(OC3CC3)c2C(F)(F)F)OC1(C)C ZINC000206130700 EF Annotated Mild CC1(C)OB(c2nc(C(F)(F)F)ccc2OC2CC2)OC1(C)C ZINC000206132052 EF Annotated Mild CC1(C)OB(c2cc(OC3CC3)c(C(F)(F)F)cn2)OC1(C)C ZINC000206132178 EF Annotated Mild CC1(C)OB(c2ncc(C(F)(F)F)cc2OC2CC2)OC1(C)C ZINC000206132256 EF Annotated Anodyne CC1(C)OB(c2cc(C(F)(F)F)c(OC3CC3)cn2)OC1(C)C ZINC000206133222 EF Annotated Mild CC1(C)OB(c2ncc(OC3CC3)cc2C(F)(F)F)OC1(C)C ZINC000206133348 EF Annotated Mild CC1(C)OB(c2nccc(C(F)(F)F)c2OC2CC2)OC1(C)C ZINC000206133511 EF Annotated Mild CC1(C)OB(c2nccc(OC3CC3)c2C(F)(F)F)OC1(C)C ZINC000206133595 EF Annotated Mild CC1(C)OB(c2ccc3[nH]c(C(F)(F)F)cc(=O)c3c2)OC1(C)C ZINC000206158831 EF Annotated Mild CC(C)[Si](C(C)C)(C(C)C)n1cc(Br)c(B(O)O)c1 ZINC000206165130 EF Annotated Reactive CC(C)[Si](C(C)C)(C(C)C)n1cc(B(O)O)cc1Br ZINC000206165603 EF Annotated Reactive CC(C)n1cc(C(F)(F)F)cc(B2OC(C)(C)C(C)(C)O2)c1=O ZINC000206186080 EF Annotated Mild CC1(C)OB(c2cnc(-n3cccc3)c(Br)c2)OC1(C)C ZINC000206188770 EF Annotated Mild CC1(C)OB(c2cc(C(F)(F)F)cnc2NC2CC2)OC1(C)C ZINC000206189902 EF Annotated Mild CC1(C)OB(c2cc(C(F)(F)F)cnc2N2CCCC2)OC1(C)C ZINC000206190034 EF Annotated Mild CC1(C)OB(c2cc(C(F)(F)F)cnc2-n2cccn2)OC1(C)C ZINC000206190252 EF Annotated Mild CC1(C)OB(c2cc(C(F)(F)F)cnc2-n2ccnc2)OC1(C)C ZINC000206190293 EF Annotated Mild CC(C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1N1CCCC1 ZINC000206201681 EF Annotated Mild CC1(C)OB(c2cnc(N3CCCC3)c(C(F)(F)F)c2)OC1(C)C ZINC000206202711 EF Annotated Mild CC1=C(CC[C@](C)(O)[C@H](O)CO)[C@]2(C)CCCC(C)(C)[C@H]2CC1=O ZINC000206282501 EF Annotated Mild Cc1ccc2c(c1)OC(N)=C1C(=O)N(C3CCCCC3)C(=O)C[C@@H]12 ZINC000206390623 EF Annotated Anodyne Cc1ccc2c(c1)OC(N)=C1C(=O)N(C3CCCCC3)C(=O)C[C@H]12 ZINC000206390650 EF Annotated Anodyne Cc1nc(-c2cc(-c3ccc(CO)cc3)c3c(N)ncnn23)cs1 ZINC000206406571 EF Annotated Anodyne Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCc1ccccn1)CO2 ZINC000206491397 EF Annotated Anodyne CCOC(=O)Cc1nc(Cl)c2c(C)c(C(=O)OCC)sc2n1 ZINC000206495805 EF Annotated Anodyne C=C1CC[C@@H](O)[C@@]2(C)CC[C@@H]3[C@@H](OC(=O)[C@]3(C)OC(=O)/C(C)=C\C)[C@@H]12 ZINC000206577068 EF Annotated Mild O=[N+]([O-])c1ccc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)c([N+](=O)[O-])c1 ZINC000206700660 EF Annotated Bother C=C[C@@]1(C)CC[C@@]2(O)[C@@](O)(C[C@@H](O)[C@@]3(O)C(C)(C)CCC[C@]23C)C1 ZINC000206721150 EF Annotated Mild C[C@H]1C(=O)[C@@H](O)[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@]1(O)CCc1ccoc1 ZINC000207117556 EF Annotated Anodyne C[C@]1(C(=O)O)CCC[C@]2(C)c3ccc([C@@](C)(O)CO)cc3C(=O)C[C@@H]12 ZINC000207320976 EF Annotated Anodyne C[C@@](O)(CO)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(C(=O)O)CCC[C@]21C ZINC000207321018 EF Annotated Anodyne COC(=O)CCCCCCCC/C=C/c1cc(=O)c(C(N)=O)c[nH]1 ZINC000207640784 EF Annotated Anodyne CC1CCC(N(C)C(=O)[C@@H]2CC[C@H](c3ccccn3)NC2=O)CC1 ZINC000209075558 EF Annotated Anodyne CC1CCC(N(C)C(=O)[C@H]2CC[C@H](c3ccccn3)NC2=O)CC1 ZINC000209075592 EF Annotated Anodyne CC1CCC(N(C)C(=O)[C@@H]2CC[C@@H](c3ccccn3)NC2=O)CC1 ZINC000209075624 EF Annotated Anodyne CC1CCC(N(C)C(=O)[C@H]2CC[C@@H](c3ccccn3)NC2=O)CC1 ZINC000209075657 EF Annotated Anodyne CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(\O)c2ccc(C#N)cc2)cc1 ZINC000209107091 EF Annotated Reactive COc1ccc(/C(O)=C(\C=C(C#N)C#N)[n+]2ccc(N(C)C)cc2)cc1 ZINC000209109334 EF Annotated Reactive COc1ccc(/C(O)=C(\C=C(C#N)C#N)[n+]2ccc(OC)cc2)cc1 ZINC000209109387 EF Annotated Reactive CC1(C)/C=C/N2C(=O)C3=CCCN3C(=O)[C@@H]2Cc2c1[nH]c1ccccc21 ZINC000209116400 EF Annotated Anodyne C[C@@H]1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](CO)(CCO)O2 ZINC000209138395 EF Annotated Anodyne CN1C=CN(CCC[n+]2cccc(C(=O)c3ccccc3)c2)/C1=C/N=O ZINC000209139511 EF Annotated Anodyne C[C@@H]1[C@@H](O)C=C2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](CO)(CCO)O2 ZINC000209141258 EF Annotated Anodyne O=C1N[C@@H](c2ccccn2)CC[C@H]1C(=O)N(Cc1ccccc1)C1CC1 ZINC000209291040 EF Annotated Anodyne O=C1N[C@@H](c2ccccn2)CC[C@@H]1C(=O)N(Cc1ccccc1)C1CC1 ZINC000209291071 EF Annotated Anodyne O=C1N[C@H](c2ccccn2)CC[C@H]1C(=O)N(Cc1ccccc1)C1CC1 ZINC000209291102 EF Annotated Anodyne O=C1N[C@H](c2ccccn2)CC[C@@H]1C(=O)N(Cc1ccccc1)C1CC1 ZINC000209291138 EF Annotated Anodyne CN(C(=O)[C@@H]1CC[C@H](c2ccccn2)NC1=O)C1CCCCCC1 ZINC000209303726 EF Annotated Anodyne CN(C(=O)[C@H]1CC[C@H](c2ccccn2)NC1=O)C1CCCCCC1 ZINC000209303756 EF Annotated Anodyne CN(C(=O)[C@@H]1CC[C@@H](c2ccccn2)NC1=O)C1CCCCCC1 ZINC000209303788 EF Annotated Anodyne CN(C(=O)[C@H]1CC[C@@H](c2ccccn2)NC1=O)C1CCCCCC1 ZINC000209303820 EF Annotated Anodyne Fc1ccc(-n2cc(NCCN3CCC(F)(F)CC3)nn2)cc1F ZINC000209677141 EF Annotated Anodyne Fc1ccc(Cn2cc(NCCN3CCC(F)(F)CC3)nn2)cc1 ZINC000209677187 EF Annotated Anodyne NC(=O)c1ccc[n+](Cc2ccc(CN3C=CC=C/C3=C/N=O)cc2)c1 ZINC000209882369 EF Annotated Anodyne NC(=O)c1cc[n+](Cc2ccc(CN3C=CC=C/C3=C/N=O)cc2)cc1 ZINC000209882411 EF Annotated Anodyne NC(=O)c1ccc[n+](Cc2cccc(CN3C=CC=C/C3=C/N=O)c2)c1 ZINC000209882531 EF Annotated Anodyne NC(=O)c1cc[n+](Cc2cccc(CN3C=CC=C/C3=C/N=O)c2)cc1 ZINC000209886624 EF Annotated Anodyne NC(=O)c1ccc[n+](Cc2ccccc2CN2C=CC=C/C2=C/N=O)c1 ZINC000209886737 EF Annotated Anodyne NC(=O)c1cc[n+](Cc2ccccc2CN2C=CC=C/C2=C/N=O)cc1 ZINC000209886777 EF Annotated Anodyne CC(C)(C)OC(=O)N1CCc2onc(-c3ccccc3N)c2C1=O ZINC000209983141 EF Annotated Anodyne CCOc1ccc(CNc2nc3nc(C(C)C)cc(O)n3n2)cc1 ZINC000021178337 EF Annotated Anodyne O=C1C(Cl)=C(Nc2ccc(CCO)cc2)C(=O)c2cnccc21 ZINC000021298903 EF Annotated Mild NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](C(F)F)C[C@H]2CS1 ZINC000210832133 EF Annotated Anodyne COC[C@H]1C[C@H]2[C@@H](C)SC(N)=N[C@@]2(c2ccc(F)cc2F)CO1 ZINC000210832258 EF Annotated Anodyne CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]1(O)CCC1=CC(=O)O[C@@H]1O ZINC000210895143 EF Annotated Mild CN1CCN(c2cnc3c4c(nccc24)-c2sccc2C3=O)CC1 ZINC000211034764 EF Annotated Anodyne C/C=C1\C[N+]2([O-])CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@@H]32)Nc1ccccc14 ZINC000211067478 EF Annotated Bother O=N/C=C1/C=CC=CN1COCCOCN1C=CC=C/C1=C\N=O ZINC000211678410 EF Annotated Anodyne O=N/C=C1/C=CC=CN1COCCOCN1C=CC=C/C1=C/N=O ZINC000211678485 EF Annotated Anodyne Cc1nc2nc(NCc3cc(F)cc(F)c3)nn2c(O)c1Cl ZINC000021523612 EF Annotated Anodyne CCOC(=O)c1sc2ncnc(O[C@H](C)C(=O)OCC)c2c1C ZINC000021641539 EF Annotated Anodyne CCOC(=O)c1sc2ncnc(O[C@@H](C)C(=O)OCC)c2c1C ZINC000021641545 EF Annotated Anodyne CCOC(=O)c1nc(NCc2ccc(OC)cc2)c2c(C)noc2n1 ZINC000021646112 EF Annotated Anodyne C=C1[C@H](OCC)O[C@H](OC(C)=O)[C@@H]2[C@H]1[C@@H]1[C@H](CC[C@@]23CO3)C1(C)C ZINC000215496805 EF Annotated Mild NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)CCCC3)ccc1C1CC2C1 ZINC000215743057 EF Annotated Mild Oc1cc2ccc1Oc1cc(ccc1O)C[C@@H](O)[C@@H](O)CCCC2 ZINC000216075454 EF Annotated Anodyne COC1=C2C(C)(C)C(=O)C=C[C@@]2(C)c2c(cc(C)c(O)c2O)C1=O ZINC000217015361 EF Annotated Mild CC(C)Cc1ccc2c(c1)[C@@]1(COC(N)=N1)C1(COC1)C1(CCC1)O2 ZINC000218008353 EF Annotated Anodyne CC(C)Cc1ccc2c(c1)[C@]1(COC(N)=N1)C1(COC1)C1(CCC1)O2 ZINC000218008431 EF Annotated Anodyne NC1=N[C@@]2(CO1)c1cc(-c3cnc4[nH]ccc4c3)ccc1OCC21CC1 ZINC000218009914 EF Annotated Anodyne NC1=N[C@]2(CO1)c1cc(-c3cnc4[nH]ccc4c3)ccc1OCC21CC1 ZINC000218009994 EF Annotated Anodyne O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc(Br)cn2c1 ZINC000218580605 EF Annotated Anodyne O=C(N[C@H]1CN2CCC1CC2)c1cc2cc(Br)ccn2c1 ZINC000218608277 EF Annotated Anodyne O=C(N[C@H]1CN2CCC1CC2)c1cc2c(Br)cccn2c1 ZINC000218608394 EF Annotated Anodyne O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(Br)n2c1 ZINC000218947916 EF Annotated Anodyne CN1CCC[C@H]1C(=O)N1CC[C@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C ZINC000218965464 EF Annotated Anodyne C=C1C(=O)OC[C@@H]2C(C)(C)CC[C@H](O)[C@]23COC(=O)C2=C3CC[C@@H]1C2 ZINC000219018501 EF Annotated Mild N/C(=N\N=C\c1cc(F)ccc1F)N/N=C/c1cc(F)ccc1F ZINC000219126685 EF Annotated Mild N/C(=N\N=C\c1ccc2[nH]ccc2c1)N/N=C/c1ccc2[nH]ccc2c1 ZINC000219138166 EF Annotated Mild O=C(O)CSc1n[nH]c(-c2ccc(N3CCCCC3)cc2F)n1 ZINC000219722995 EF Annotated Anodyne Cc1noc(-c2ccc(N3C[C@H](CN=C=S)OC3=O)cc2F)n1 ZINC000219753526 EF Annotated Reactive Cc1noc(-c2ccc(N3C[C@@H](CN=C=S)OC3=O)cc2F)n1 ZINC000219753597 EF Annotated Reactive CCOCCNC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1 ZINC000219770785 EF Annotated Anodyne C[C@@H]1O[C@@H](O[C@H](C)CCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O ZINC000219950425 EF Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1O ZINC000219955563 EF Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O ZINC000219955666 EF Annotated Anodyne in-vitro CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1cc(C(=O)O)nc1-2 ZINC000220008647 EF Annotated Mild O=c1c2cn[nH]c2c2ncc(-c3cccnc3)cc2n1CC(F)(F)F ZINC000220795784 EF Annotated Clean O=C(NCCF)c1ccc(Nc2ccnc(-c3ccncc3)n2)cc1 ZINC000220942129 EF Annotated Anodyne Cc1cc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cnc1C#N ZINC000221081879 EF Annotated Mild N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)nc2)n1 ZINC000221086544 EF Annotated Mild N#C[C@@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)nc2)n1 ZINC000221086608 EF Annotated Mild N#C[C@@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)nc2)n1 ZINC000221086673 EF Annotated Mild CCc1noc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 ZINC000221130811 EF Annotated Anodyne CCc1noc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 ZINC000221130871 EF Annotated Anodyne CCn1nccc1[C@@H](C)Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1 ZINC000221132355 EF Annotated Anodyne CCn1nccc1[C@H](C)Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1 ZINC000221132402 EF Annotated Anodyne N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C=O)cc2)n1 ZINC000221133256 EF Annotated Mild N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 ZINC000221146773 EF Annotated Mild N#C[C@@H]1CCC[C@H](F)[C@@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000221183435 EF Annotated Mild N#C[C@H]1CCC[C@H](F)[C@@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000221183558 EF Annotated Mild N#CC1(c2cc(-c3cnc(N)nc3)nc(N3CC4CC3C4)c2)CCC1 ZINC000221217054 EF Annotated Mild COc1cc2[nH]c3nc(N)nc(N4CCCCC4)c3c2cc1OC ZINC000221382927 EF Annotated Anodyne CCNC(=S)N1N=C2C=CC(Br)=CN2[C@H]1C(C)C ZINC000221405045 EF Annotated Anodyne CCNC(=S)N1N=C2C=CC(Br)=CN2[C@@H]1C(C)C ZINC000221405101 EF Annotated Anodyne O=C(NCCF)c1ccc(Nc2ccnc(-c3cccnc3)n2)cc1 ZINC000221583699 EF Annotated Anodyne CC(C)(C)n1nc(-c2cnc3cc(F)ccc3c2)c(C(N)=O)c1N ZINC000221715056 EF Annotated Anodyne COc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1 ZINC000221717145 EF Annotated Anodyne CCOc1ccc2cc(-c3nn(C(C)C)c(N)c3C(N)=O)cnc2c1 ZINC000221719350 EF Annotated Anodyne CCOc1ccc2cc(-c3nn(C(C)C)c(N)c3C(N)=O)ccc2n1 ZINC000221799190 EF Annotated Anodyne N#C[C@H]1C[C@@H](F)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000221839494 EF Annotated Mild N#C[C@H]1C[C@H](F)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000221839550 EF Annotated Mild N#C[C@H]1C[C@@H](F)CC[C@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000221876427 EF Annotated Mild N#C[C@H]1C[C@H](F)CC[C@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000221876476 EF Annotated Mild N#C[C@H]1CCC[C@@H](F)[C@@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000221879506 EF Annotated Mild COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3cccc(Cl)c32)cc1 ZINC000221949796 EF Annotated Anodyne COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3cccc(Cl)c32)cc1 ZINC000221949856 EF Annotated Anodyne COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(Cl)cccc32)cc1 ZINC000221952601 EF Annotated Anodyne COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(Cl)cccc32)cc1 ZINC000221952669 EF Annotated Anodyne Cc1ccccc1NC(=O)c1cc(-c2ccc(N=C(N)N)cc2)n[nH]1 ZINC000222124898 EF Annotated Mild Cc1cccc(NC(=O)c2cc(-c3ccc(N=C(N)N)cc3)n[nH]2)c1C ZINC000222125263 EF Annotated Mild CCCc1cc(O)c2c(c1)c1cc3c(cc1c(=O)n2CCN)OCO3 ZINC000222158623 EF Annotated Bother C/C=C(\C)C(=O)O[C@@H]1c2cc(C(C)=O)c(OC)cc2O[C@@H]1C(C)(C)O ZINC000222734554 EF Annotated Anodyne N#C[C@@H]1CCC[C@@H](F)[C@@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000222972962 EF Annotated Mild NCCOc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 ZINC000223658043 EF Annotated Anodyne c1cc(-c2nc(OC3CNC3)c3c4c(sc3n2)CCCC4)ccn1 ZINC000223660286 EF Annotated Anodyne Cc1csc2nc(-c3ccncc3)nc(N3CCCNCC3)c12 ZINC000223666654 EF Annotated Anodyne c1cnc2sc3c(N4CCNCC4)nc(-c4ccncc4)nc3c2c1 ZINC000223669400 EF Annotated Anodyne NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCSC3 ZINC000223673688 EF Annotated Anodyne Cc1csc2c(N3CCCNCC3)nc(-c3ccncc3)nc12 ZINC000223682334 EF Annotated Anodyne C#Cc1sc2c(N[C@@H]3CCNC3)nc(-c3ccncc3)nc2c1C ZINC000223684441 EF Annotated Mild Cc1n[nH]c(C)c1-c1nc(NCCN)c2c3c(sc2n1)CCCC3 ZINC000223691251 EF Annotated Anodyne C[C@H](N)CNc1nc(-c2cn[nH]c2)nc2sc3c(c12)CCCC3 ZINC000223691964 EF Annotated Anodyne C[C@@H](N)CNc1nc(-c2cn[nH]c2)nc2sc3c(c12)CCCC3 ZINC000223692638 EF Annotated Anodyne c1n[nH]cc1-c1nc(N[C@@H]2CCNC2)c2c3c(sc2n1)CCCC3 ZINC000223692744 EF Annotated Anodyne CC(=O)CCC1(Cc2ccc([N+](=O)[O-])cc2)C2(C)OOC1(C)OO2 ZINC000223803079 EF Annotated Reactive Cc1ccc(NC(=O)[C@@H]2CNC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000224525028 EF Annotated Anodyne Cc1ccc(NC(=O)[C@H]2CNC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000224525076 EF Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OCC3CNC3)c2F)cn1 ZINC000224545255 EF Annotated Anodyne CCc1ccc(-c2cnc(N)cn2)c(F)c1Oc1nccc(N)n1 ZINC000224546302 EF Annotated Anodyne Nc1cnc(-c2ccc(C3CC3)c(Oc3nccc(N)n3)c2F)cn1 ZINC000224568287 EF Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3OCCO)cc2F)cn1 ZINC000224728082 EF Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3OCCO)cc2F)cn1 ZINC000224768871 EF Annotated Anodyne CS(=O)(=O)Nc1ccccc1-c1ccc(-c2cnc(N)cn2)cc1 ZINC000224788197 EF Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3-c3cnc(N)nc3)cn2)cn1 ZINC000224798967 EF Annotated Anodyne C[C@@H](CO)Oc1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224800307 EF Annotated Anodyne C[C@@H](CO)Oc1ncccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224827442 EF Annotated Anodyne CS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)cc1 ZINC000224862981 EF Annotated Anodyne Cc1nn(C2CCCC2)c2[nH]c(C(C)(C)CN3CCN(C)CC3)nc12 ZINC000022892245 EF Annotated Anodyne c1ccc(C2=NC[C@H](N3CCN(c4ccccc4)CC3)CCN2)cc1 ZINC000022927178 EF Annotated Anodyne c1ccc(C2=NC[C@@H](N3CCN(c4ccccc4)CC3)CCN2)cc1 ZINC000022927182 EF Annotated Anodyne OCC[C@@H]1CN(Cc2cccc3c2OCO3)CCN1C1CCCCC1 ZINC000022932555 EF Annotated Anodyne OCC[C@H]1CN(Cc2cccc3c2OCO3)CCN1C1CCCCC1 ZINC000022932558 EF Annotated Anodyne CC(C)CN1CCN(Cc2nc(C(C)C)cs2)C[C@@H]1CCO ZINC000022932709 EF Annotated Anodyne COCCN1CCN(Cc2cn(C)nc2-c2cccc(Cl)c2)CC1 ZINC000022932784 EF Annotated Anodyne COc1ccc(/C=C/CN2CCN(CC(C)C)[C@@H](CCO)C2)cc1 ZINC000022932849 EF Annotated Anodyne CC[C@H](C)[C@@H](CN[C@H](CCCCNC)CNC)NCC1CCCC1 ZINC000022938894 EF Annotated Anodyne CNC[C@@H](C)NC[C@@H](Cc1ccccc1)NCCc1ccccc1 ZINC000022938916 EF Annotated Anodyne c1ccc(Cc2noc(-c3ncccc3OC3CCNCC3)n2)cc1 ZINC000225197068 EF Annotated Anodyne O[C@@H]1c2c(ccc3c2OCO3)C=C2c3cc4c(cc3CCN21)OCO4 ZINC000225651951 EF Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3CN(CCN)C3)cc12 ZINC000226060330 EF Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3CN(CCO)C3)cc12 ZINC000226071139 EF Annotated Anodyne NC1=N[C@@](c2cc(NCC3CC3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 ZINC000226101294 EF Annotated Anodyne CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc(C(N)=O)cc1 ZINC000023045292 EF Annotated Anodyne Cc1nc(N2CCc3[nH]nc(C4CCCC4)c3C2)cc(-n2cccn2)n1 ZINC000023128396 EF Annotated Anodyne CC(=O)NCc1cc(=O)[nH]c(CC(c2ccccc2)c2ccccc2)n1 ZINC000023128752 EF Annotated Anodyne Cc1ccc(NCCCNc2nccc(-c3cn(C)nc3C)n2)nc1 ZINC000023145766 EF Annotated Anodyne O=c1cc(C2CCNCC2)nc(-c2cccc(OC(F)(F)F)c2)[nH]1 ZINC000023153353 EF Annotated Anodyne CC(C)=CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1 ZINC000023154092 EF Annotated Mild CN(CCCc1nccn1C)C(=O)c1ccc([C@@H]2CCCN2)s1 ZINC000023158549 EF Annotated Anodyne CN(CCCc1nccn1C)C(=O)c1ccc([C@H]2CCCN2)s1 ZINC000023158552 EF Annotated Anodyne CCc1ccc(CN2CCC(n3cc(C(C)(C)N)nn3)CC2)cc1 ZINC000023158687 EF Annotated Anodyne CC(C)(C)c1cc(=O)[nH]c(-c2ccccc2CN2CCC[C@@H](O)C2)n1 ZINC000023192040 EF Annotated Anodyne Cc1cccc(Cc2nnc(NC(=O)NCCc3cn[nH]c3)s2)c1 ZINC000023231315 EF Annotated Anodyne COc1ccc(-c2cccc(-c3ccn(Cc4noc(C)n4)n3)c2)nn1 ZINC000023231345 EF Annotated Anodyne CN(Cc1cccs1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O ZINC000023231876 EF Annotated Anodyne CCc1nnc(NC(=O)NCc2cnn(-c3cccc(F)c3)c2)s1 ZINC000023231887 EF Annotated Anodyne Cc1cc(CNC(=O)Nc2nnc(CCc3ccccc3)s2)[nH]n1 ZINC000023232219 EF Annotated Anodyne CCc1n[nH]c2c1CN(Cc1cc(=O)n3c4c(cccc14)CCC3)CC2 ZINC000023251788 EF Annotated Anodyne COc1cc(Br)cc(CN2C[C@H](C)O[C@H](C)C2)c1O ZINC000023281094 EF Annotated Clean COc1cc(Br)cc(CN2C[C@H](C)O[C@@H](C)C2)c1O ZINC000023281097 EF Annotated Clean COc1cc(Br)cc(CN2C[C@@H](C)O[C@H](C)C2)c1O ZINC000023281100 EF Annotated Clean CN1CCC(n2[nH]cc3nc(-c4ccnn4-c4ccccc4)nc2-3)CC1 ZINC000023310878 EF Annotated Anodyne Cc1cccc(CN(C)[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)n1 ZINC000023311741 EF Annotated Anodyne Cc1cc(CN(C)[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)ccn1 ZINC000023337751 EF Annotated Anodyne CN1CCN(C(=O)CC[C@@H]2CCCN(Cc3ccsc3)C2)CC1 ZINC000023338067 EF Annotated Anodyne CN1CCN(C(=O)CC[C@H]2CCCN(Cc3ccsc3)C2)CC1 ZINC000023338069 EF Annotated Anodyne CCCc1cn(C2CCN(C(=O)Nc3c(C)noc3C)CC2)nn1 ZINC000023369118 EF Annotated Anodyne COc1cc(CN2CCN(C3CCCC3)[C@@H](CCO)C2)ccc1F ZINC000023374458 EF Annotated Anodyne OCC#Cc1csc(CN2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000023379737 EF Annotated Mild OCC#Cc1csc(CN2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000023379739 EF Annotated Mild Cc1cccc(-c2n[nH]c(NC(=O)NCCc3scnc3C)n2)c1 ZINC000023379912 EF Annotated Anodyne CN(Cc1ccsc1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O ZINC000023380303 EF Annotated Anodyne CCc1nc(CNC(=O)Nc2nnc(-c3cccs3)s2)no1 ZINC000023380517 EF Annotated Anodyne Cc1ccc(-c2nnc(NC(=O)N(C)Cc3nonc3C)s2)cc1 ZINC000023398468 EF Annotated Anodyne O=C(c1cc2c(s1)CCCC2)N1CCC[C@@H](c2cc(=O)[nH]cn2)C1 ZINC000023399751 EF Annotated Anodyne O=C(c1cc2c(s1)CCCC2)N1CCC[C@H](c2cc(=O)[nH]cn2)C1 ZINC000023399754 EF Annotated Anodyne O=C(C[C@@H]1CCc2ccccc21)N1CCC(c2cc(=O)[nH]cn2)CC1 ZINC000023399761 EF Annotated Anodyne O=C(C[C@H]1CCc2ccccc21)N1CCC(c2cc(=O)[nH]cn2)CC1 ZINC000023399764 EF Annotated Anodyne Cc1cccc(-n2cc(-c3ccnc(NCCn4cccn4)n3)cn2)c1 ZINC000023478943 EF Annotated Anodyne Cc1nc(-c2cccc(CN(C)Cc3ccncn3)c2)nc(O)c1F ZINC000023478945 EF Annotated Anodyne C=C1C[C@]23C[C@@H]1CC[C@@H]2[C@@]1(C)C[C@@H](O)C[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230072396 EF Annotated Mild in-man C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]1(C)C[C@@H](O)C[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230072404 EF Annotated Mild in-man C=C1C[C@]23C[C@H]1CC[C@@H]2[C@@]1(C)C[C@@H](O)C[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230072412 EF Annotated Mild in-man C=C1C[C@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230072419 EF Annotated Mild in-man C=C1C[C@@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230072424 EF Annotated Mild in-man C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230072430 EF Annotated Mild in-man C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)/C(C)=C/C)[C@@H]1[C@@H]2O ZINC000230080381 EF Annotated Mild in-man C=C1COC(=O)[C@@]12C[C@@]1(C)[C@@H](C)CC[C@H](OC(=O)/C(C)=C/C)[C@@H]1[C@@H]2O ZINC000230080384 EF Annotated Mild in-man C=C1COC(=O)[C@]12C[C@@]1(C)[C@@H](C)CC[C@H](OC(=O)/C(C)=C/C)[C@@H]1[C@@H]2O ZINC000230080389 EF Annotated Mild in-man C=C[C@@]1(C)C(=O)C=C2[C@]3(C)CC(=O)[C@H](O)C(C)(C)[C@H]3CC[C@@]23O[C@H]13 ZINC000230087067 EF Annotated Mild in-man C=C[C@]1(C)C(=O)C=C2[C@]3(C)CC(=O)[C@H](O)C(C)(C)[C@H]3CC[C@@]23O[C@H]13 ZINC000230087072 EF Annotated Mild in-man C=C[C@]1(C)C(=O)C=C2[C@]3(CC[C@@H]4C(C)(C)[C@@H](O)C(=O)C[C@@]24C)O[C@H]13 ZINC000230087075 EF Annotated Mild in-man C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H](O)[C@@H]3O ZINC000230087173 EF Annotated Mild in-man C=C1C[C@]23C[C@@H]1CC[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H](O)[C@@H]3O ZINC000230087178 EF Annotated Mild in-man C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H](O)[C@@H]3O ZINC000230087183 EF Annotated Mild in-man C=C1C[C@]23C[C@H]1CC[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H](O)[C@@H]3O ZINC000230087189 EF Annotated Mild in-man C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@@H]2[C@@H]3C(=O)O ZINC000230088170 EF Annotated Mild in-man endogenous C=C1C[C@]23C[C@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@@H]2[C@@H]3C(=O)O ZINC000230088180 EF Annotated Mild in-man C/C=C(\C)C(=O)O[C@@H]1C[C@@](C)(O)c2coc(C)c2[C@@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000230091171 EF Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C[C@@](C)(O)c2coc(C)c2[C@@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000230091175 EF Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C[C@](C)(O)c2coc(C)c2[C@@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000230091181 EF Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C[C@](C)(O)c2coc(C)c2[C@@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000230091187 EF Annotated Anodyne in-man C=C1C(=O)O[C@H]2[C@H]3C(C)=CC=C3[C@](C)(O)[C@H](OC(=O)/C(C)=C/C)C[C@H]12 ZINC000230093905 EF Annotated Mild in-man C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC=C3[C@](C)(O)[C@H](OC(=O)/C(C)=C/C)C[C@H]12 ZINC000230093912 EF Annotated Mild in-man C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@@](C)(O)C1=CC=C(C)[C@@H]12 ZINC000230093917 EF Annotated Mild in-man C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@@](C)(O)C1=CC=C(C)[C@@H]12 ZINC000230093922 EF Annotated Mild in-man CC[C@H]1[C@H]2CCN3CC[C@]4(C(=C2C(=O)OC)Nc2cc(O)ccc24)[C@@H]13 ZINC000230101643 EF Annotated Anodyne in-man CC[C@@H]1[C@H]2CCN3CC[C@]4(C(=C2C(=O)OC)Nc2cc(O)ccc24)[C@@H]13 ZINC000230101647 EF Annotated Anodyne in-man CC/C=C/C[C@@H]1[C@@H](O)CC[C@@H]1CC(=O)N[C@@H](C(=O)O)[C@@H](C)CC ZINC000230103218 EF Annotated Anodyne in-man CC/C=C/C[C@H]1[C@@H](O)CC[C@@H]1CC(=O)N[C@@H](C(=O)O)[C@@H](C)CC ZINC000230103223 EF Annotated Anodyne in-man CC/C=C/C[C@@H]1[C@H](O)CC[C@@H]1CC(=O)N[C@@H](C(=O)O)[C@@H](C)CC ZINC000230103228 EF Annotated Anodyne in-man CC/C=C/C[C@H]1[C@H](O)CC[C@@H]1CC(=O)N[C@@H](C(=O)O)[C@@H](C)CC ZINC000230103232 EF Annotated Anodyne in-man COC(=O)[C@H]1C[C@]23CCCN4CC[C@]5(c6ccccc6N[C@@]15CC2)[C@H]43 ZINC000230182240 EF Annotated Anodyne CC(C)c1csc(C(=O)N[C@H](c2ccccn2)C2CC(O)C2)n1 ZINC000230480319 EF Annotated Anodyne COc1ccc([C@H](NC(=O)c2cc(C)oc2C)C2CC(O)C2)cn1 ZINC000230512470 EF Annotated Anodyne COc1cncc([C@H](NC(=O)NC2CCCCC2)C2CC(O)C2)c1 ZINC000230543950 EF Annotated Anodyne O=C(CC1Cc2ccccc2C1)N[C@H](c1ccccn1)C1CC(O)C1 ZINC000230549935 EF Annotated Anodyne OC1CC([C@@H](Cc2ccccn2)NC2CCC3(CCNCC3)CC2)C1 ZINC000230562660 EF Annotated Anodyne Cc1nc2c(-c3ncn[nH]3)cc(NC(=O)Cc3ccccc3)cn2c1C ZINC000230565868 EF Annotated Anodyne O=C(Cn1cnc2ccccc21)N[C@H](Cc1ccccc1)C1CC(O)C1 ZINC000230567185 EF Annotated Anodyne Cc1cccn2cc(C(=O)N[C@H](Cc3ccccc3)C3CC(O)C3)nc12 ZINC000230569492 EF Annotated Anodyne O=C(Cc1[nH]nc2ccccc12)N[C@H](c1cccs1)C1CC(O)C1 ZINC000230570574 EF Annotated Anodyne CCc1c(C)nn(CC(=O)N[C@H](c2cccs2)C2CC(O)C2)c1C ZINC000230581172 EF Annotated Anodyne O=C(N[C@H](c1cccs1)C1CC(O)C1)c1ccc2c(c1)CCO2 ZINC000230600696 EF Annotated Anodyne Cc1nc([C@@H]2CCCN(c3ncnc4scc(C)c34)C2)cc(=O)[nH]1 ZINC000023505139 EF Annotated Anodyne Cc1nc([C@H]2CCCN(c3ncnc4scc(C)c34)C2)cc(=O)[nH]1 ZINC000023505142 EF Annotated Anodyne COc1cc(OC)nc(-c2cccc(-c3ccn(CCF)n3)c2)n1 ZINC000023505507 EF Annotated Anodyne CC(C)Cc1[nH]nc2c1CN(C(=O)CSc1ccccn1)CC2 ZINC000023506138 EF Annotated Anodyne CCCn1cc(NC(=O)Cn2cc(/C=C/c3ccccc3)cn2)nn1 ZINC000023506861 EF Annotated Anodyne CCn1nc(C)c(CCNc2ncc(C)c(-c3cnn(C)c3)n2)c1C ZINC000023540980 EF Annotated Anodyne O[C@H]1[C@H](N2CCC3(CCCC3)C2)c2ccccc2C12CCNCC2 ZINC000023541583 EF Annotated Anodyne Cc1cnc(CN(C)Cc2cccc(-c3nc(C)c(C)c(=O)[nH]3)c2)[nH]1 ZINC000023544008 EF Annotated Anodyne CCOCCc1nnc(NC(=O)N(C)Cc2ccc(CC)cn2)s1 ZINC000023580792 EF Annotated Anodyne Cc1cnc(NCc2nc(C)c3c(n2)CCCC3)nc1-c1cnn(C)c1 ZINC000023581162 EF Annotated Anodyne Cc1cc(C)n(CC2(CNC(=O)Nc3nc(C)n(C(C)C)n3)CC2)n1 ZINC000023581629 EF Annotated Anodyne OCC[C@@H]1CN(Cc2cnc(Nc3ccc(F)cc3)s2)CCO1 ZINC000023581640 EF Annotated Anodyne OCC[C@H]1CN(Cc2cnc(Nc3ccc(F)cc3)s2)CCO1 ZINC000023581642 EF Annotated Anodyne Cc1nc(NC(=O)NCc2ccc(C(F)(F)F)nc2)nn1C(C)C ZINC000023582227 EF Annotated Anodyne Cn1ncc(CN2CCC[C@@H](c3cc(=O)[nH]cn3)C2)c1-c1ccccc1 ZINC000023619130 EF Annotated Anodyne Cn1ncc(CN2CCC[C@H](c3cc(=O)[nH]cn3)C2)c1-c1ccccc1 ZINC000023619133 EF Annotated Anodyne COc1cc2c(cc1O)C=C[N+]1(C)c3cc4c(cc3[C@H](O)[C@@H]21)OCO4 ZINC000238730657 EF Annotated Clean C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@H]3[C@H](O)[C@H]2C1 ZINC000238730664 EF Annotated Anodyne C[C@@]12CCC(=O)c3coc(c31)C(=O)c1cc3c(cc12)[C@@H](O)C=C[C@H]3O ZINC000238730713 EF Annotated Anodyne C=C1C(=O)C[C@H]2[C@H]3[C@@H]1[C@]2(COC(C)=O)CCC[C@@]3(C)COC(C)=O ZINC000238730875 EF Annotated Mild C/C=C(\C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C[C@@]2(C)[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238730907 EF Annotated Mild COc1cc2c(cc1OC)[C@H](OC)O[C@@H]1CC=C3CC[N+](C)([O-])[C@H]3[C@H]21 ZINC000238730908 EF Annotated Bother C/C=C(\C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@H](C)[C@@H]12 ZINC000238730988 EF Annotated Mild CC1=CC(=O)C[C@H]2[C@@]13CC[C@@H](C(=O)OC3)[C@]2(C)CCC1=CCOC1=O ZINC000238731268 EF Annotated Mild CC1(C)C(=O)CC[C@@]2(C)[C@@H]3C[C@@H](O)[C@](C)(C(=O)CO)C=C3CC[C@@H]12 ZINC000238731311 EF Annotated Anodyne CC(C)=CC[C@H](O[C@H]1O[C@@H]1C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000238731447 EF Annotated Mild C[C@@H]1[C@H](O)C[C@]23COC(=O)C2=CCC[C@@H]3[C@]1(C)CC[C@H]1COC(=O)C1 ZINC000238731484 EF Annotated Anodyne C[C@@H](O)CC[C@@](C)(O)C[C@H](C)CCCC[C@H]1C[C@H](O)CC(=O)O1 ZINC000238731644 EF Annotated Anodyne C=C1[C@H](OC(C)=O)C[C@@H](C(C)C)[C@@H]2[C@@H]([C@H](C)OC(C)=O)C(=O)C[C@@H]12 ZINC000238731717 EF Annotated Mild C=C1C(=O)O[C@H]2/C=C(\C)C/C=C/[C@@](C)(O)CC[C@@H]3O[C@]3(C)C(=O)C[C@@H]12 ZINC000238731821 EF Annotated Mild CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](OC(=O)C(C)C)C1 ZINC000238732085 EF Annotated Anodyne CC1(C)C(=O)[C@@H](O)C[C@@]2(C)[C@H]1CC[C@@]1(CO)c3cocc3CC[C@@H]12 ZINC000238732178 EF Annotated Anodyne CC(=O)O[C@@H]1CC(C)(C)[C@@H]2[C@H]3C(=O)C=C(C)[C@@H]2[C@@]3(C)[C@H]1OC(C)=O ZINC000238732187 EF Annotated Mild C=C(C)[C@@H](O)CC[C@H](C)[C@H]1CC[C@]2(C)[C@H](O)CC=C(C=O)[C@]12C=O ZINC000238732249 EF Annotated Reactive C=C1[C@@H](O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@@H](O)[C@@H]1C3 ZINC000238732349 EF Annotated Mild C[C@@H]1CC[C@H]2C1=CN=C[C@@]21[C@H]2N=C[C@](C=O)([C@H]3CC[C@@H](C)[C@@H]23)[C@@H]1O ZINC000238732467 EF Annotated Mild CC(C)CC(=O)O[C@@H]1C(=O)[C@@]2(C)O[C@H]2C[C@H]1[C@@]12C[C@@H](CC1=O)C2(C)C ZINC000238732592 EF Annotated Anodyne COc1cc2c(c(OC)c1OC)CCCN1CCC3=CC[C@H](O)C[C@]321 ZINC000238732698 EF Annotated Anodyne CC(=O)O[C@]1(C)C[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC(=O)O ZINC000238732915 EF Annotated Anodyne C=C1C[C@@]23CC[C@@H]4OC(C)(C)C(=O)CC[C@@]4(C)[C@@H]2C[C@@H]1[C@@H](O)C3=O ZINC000238732920 EF Annotated Mild C=CC[C@@]12CC=CC(=O)[C@@]1(O)O[C@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000238732963 EF Annotated Mild CC1=C[C@]23O[C@H]1CC[C@@H]2[C@@](C)(CC/C(=C/CO)CO)[C@H](C)CC3=O ZINC000238733361 EF Annotated Anodyne COc1ccc2cc3c4c(c(O)c(CO)c(OC)c4c2c1)C(=O)N3 ZINC000238733507 EF Annotated Bother C/C=C(/CO)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@H]2C1 ZINC000238733525 EF Annotated Anodyne CC(=O)OCCc1c(C)cc2c(c1C)C(=O)[C@H](C)[C@H]2COC(C)=O ZINC000238733574 EF Annotated Anodyne COc1c(O)c2c3c(c1O)C(=O)[C@H]1C(=C3C=CC2=O)O[C@@H](C)C1(C)C ZINC000238733600 EF Annotated Mild C=C[C@@]1(C)C[C@](O)([C@@H](O)C(=C)C)Oc2c1c(=O)oc1cccc(C)c21 ZINC000238733728 EF Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@H]3OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C ZINC000238733904 EF Annotated Anodyne CC[C@]12CCCN3CC[C@@]4(c5ccccc5N5COC[C@H](C1)[C@]54O)[C@@H]32 ZINC000238733973 EF Annotated Anodyne C[C@H]1CCN2C[C@]34Cc5c([nH]c6ccccc56)C(C)(C)[C@@H]3C[C@]12C(=O)N4 ZINC000238734011 EF Annotated Anodyne CC[C@@H]1[C@@H]2CCN3CC[C@@]4(C(=C2C(=O)OC)N[C@H]2CCCC[C@H]24)[C@@H]13 ZINC000238734073 EF Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1CC=C2C[C@H]3OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C ZINC000238734346 EF Annotated Anodyne COC(=O)[C@H]1C[C@]23CCCN4CC[C@]5(c6ccccc6N[C@@]15[C@H]2C)[C@H]43 ZINC000238734374 EF Annotated Anodyne CC[C@@H]1[C@H]2CC[N+]3([O-])CC[C@@]4(C(=C2C(=O)OC)Nc2ccccc24)[C@@H]13 ZINC000238734525 EF Annotated Bother C/C=C(\C)[C@H]1O[C@]2(C)C[C@H]3C(=O)C(C)(C)CC[C@@]3(O)[C@@H](C)[C@H]2[C@@H]1O ZINC000238734726 EF Annotated Anodyne Cc1cc2c(cc1O)O[C@@H](c1ccccc1)C(=O)N2CCN(C)C ZINC000238735031 EF Annotated Anodyne CO[C@@H]1CCN2CC[C@]34c5ccccc5N(C=O)C35CCC1(CC5)[C@H]24 ZINC000238735377 EF Annotated Anodyne C=C(C)[C@@H](O)CC[C@H](C)[C@H]1CC[C@]2(C)[C@@H](O)CC=C(C=O)[C@]12C=O ZINC000238735384 EF Annotated Reactive C/C=C1\CN(C)[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@H]2C(=O)O ZINC000238735699 EF Annotated Anodyne C/C=C(\C)[C@H]1O[C@]2(C)C[C@@H](O)[C@@H]3C(C)(C)CCC(=O)[C@]3(C)[C@H]2[C@@H]1O ZINC000238735712 EF Annotated Anodyne CC(C)C1=C[C@@H]2CC[C@H]3C4=C(CC[C@]3(C)[C@@]2(O)[C@H]2O[C@@H]12)C(=O)OC4 ZINC000238735755 EF Annotated Anodyne C=CC[C@@]12C=C(OC)C(=O)[C@@H]([C@@H]1O)[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000238736005 EF Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)[C@]3(C)CC[C@]4(CO4)[C@@H]([C@H]3OC(C)=O)[C@]12C ZINC000238736062 EF Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C[C@@H](O)[C@@H]4CCNCC[C@]34C)[C@H]1C[C@@H]1OC(=O)C[C@@H]12 ZINC000238736078 EF Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@]1(O)C[C@H](OC(=O)[C@H](C)CC)C(=C)[C@H]21 ZINC000238736278 EF Annotated Mild CC/C=C\C[C@H]1[C@@H](O)CC[C@@H]1CC(=O)N[C@H](C(=O)O)[C@H](C)CC ZINC000238736292 EF Annotated Anodyne COc1cc2cc[n+]3c(c2cc1O)Cc1ccc(OC)c(OC)c1C3 ZINC000238736316 EF Annotated Anodyne C[C@H]1c2ccoc2C[C@H]2[C@@H]1[C@H](O)C[C@]1(O)C(C)(C)[C@@H](O)CC[C@]21C ZINC000238736379 EF Annotated Anodyne CC1=C2C=C3CC[C@@H]4C(C)(C)[C@H](O)C(=O)C[C@@]4(C)[C@@H]3C[C@H]2OC1=O ZINC000238736553 EF Annotated Anodyne C/C1=C/C[C@@H](O)c2occc2C(=O)C[C@@]23C[C@@H](CC[C@@H]12)[C@@](O)(CO)C3 ZINC000238736573 EF Annotated Anodyne C[C@H]1C[C@@H]2OC(=O)C3=C[C@@H](O)C[C@@H]([C@]1(C)CCC1=CC(=O)OC1)[C@]32C ZINC000238736585 EF Annotated Anodyne CC[C@H](C)[C@@H](O)C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000238736628 EF Annotated Anodyne C/C=C1/CN2CC[C@]34C(=Nc5c(O)cccc53)[C@@H]2C[C@@H]1[C@H]4C(=O)OC ZINC000238736997 EF Annotated Anodyne CC(C)[C@H]1CC[C@@](C)(O)[C@H]2[C@H]3C[C@](C)(O)CCC[C@@](C)(O)[C@H](O3)[C@H]12 ZINC000238737211 EF Annotated Anodyne COc1cc(O)c2c(c1)[C@H](O)[C@]1(O)c3ccccc3C(C)(C)[C@H]1C2 ZINC000238737216 EF Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\COC(C)=O)CC/C=C(\C)[C@@H](OC(C)=O)C[C@@H]12 ZINC000238737259 EF Annotated Mild CC1=C2C=C[C@](C)(O)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](OC(=O)CC(C)C)C1 ZINC000238737436 EF Annotated Anodyne C=C1CC[C@H]2[C@H](C(C)(C)O)CC[C@]2(C)[C@@H](O)/C=C(\CO)CC[C@@H]1O ZINC000238737535 EF Annotated Mild CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]1(O)C[C@@](C)([C@H](O)CO)CC[C@H]12 ZINC000238737615 EF Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@](C)(O)c2coc(C)c2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238737660 EF Annotated Anodyne Cc1ccc(S(=O)(=O)O[C@@H]2CCCO[C@@]23CCCCO3)cc1 ZINC000238737680 EF Annotated Mild C=C(C)[C@H]1CC(=O)[C@H]([C@@H]2C[C@@H]3O[C@]3(C)C(=O)[C@H]2OC(=O)/C(C)=C/C)C1 ZINC000238737706 EF Annotated Mild C=C1CC[C@@H](O)[C@]2(C)C[C@@H]3OC(=O)C(=C)[C@H]3[C@H](OC(=O)C=C(C)C)[C@@H]12 ZINC000238737943 EF Annotated Mild C[C@@H]1C[C@@H](CCCC[N+]2([O-])CCC[C@@H]2[C@H]2C[C@@H](C)C(=O)O2)OC1=O ZINC000238738029 EF Annotated Bother C[C@@]1(O)OC[C@H]2[C@@H]3Cc4c([nH]c5ccccc45)[C@@H]4C[C@H]2[C@H]1C[N+]43C ZINC000238738578 EF Annotated Bother CC1(C)C=CC2=C(O)[C@H]3C(=O)c4ccc(O)c(O)c4O[C@@H]3C=C2O1 ZINC000238738964 EF Annotated Clean O=C(O)/C=C/c1ccc2c(c1)OC(=O)C[C@H](c1ccc(O)c(O)c1)O2 ZINC000238739256 EF Annotated Clean CC[C@H]1[C@@H]2CCN3CC[C@]4(C5=C(CCCC5)N[C@H]4[C@@H]2C(=O)OC)[C@@H]13 ZINC000238739455 EF Annotated Anodyne C=C(COC(=O)CC(C)C)[C@@H]1Oc2cc(C(C)=O)c(O)cc2[C@@H]1O ZINC000238739463 EF Annotated Mild C[N+]12CCC[C@]34CC[C@@]5(Nc6ccccc6[C@]5(CC1)[C@H]32)[C@H](C(=O)O)C4 ZINC000238739517 EF Annotated Bother C=C(C)C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238739549 EF Annotated Mild C=C1CC[C@@H](C(C)C)/C=C/[C@@](C)(O)C[C@@H](O)[C@H](O)[C@@]2(C)CC[C@@H]1O2 ZINC000238739712 EF Annotated Mild CC1(C)N[C@@H]2C[C@@]3(Nc4ccccc4C3=O)[C@]3(CO)CC[C@H]1C[C@H]23 ZINC000238739729 EF Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\COC(C)=O)CC/C=C(\C)[C@H](OC(C)=O)C[C@@H]12 ZINC000238739853 EF Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1CCC1=CCOC1=O ZINC000238740028 EF Annotated Mild C/C=C(\C)C(=O)O[C@]1(C)C(=O)O[C@@H]2C1=CCC(C)=C1C(=O)C=C(C)[C@H]12 ZINC000238740059 EF Annotated Mild CC1=C2C(=O)C3=C(C[C@@H]2OC1=O)[C@@]1(C)CC[C@H]2C[C@@]2(C)[C@@H]1C[C@H]3O ZINC000238740209 EF Annotated Mild C=C1[C@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)[C@H](O)CO ZINC000238740235 EF Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)C(C)C)=C/C[C@@H]12 ZINC000238740253 EF Annotated Mild C[C@]12CCC[C@]3(C)[C@@H]1[C@@H](C[C@](C)(O)[C@@]3(O)CCc1ccoc1)OC2=O ZINC000238740315 EF Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1[C@@H]2[C@]2(C)O[C@@H]2[C@@H]1OC(=O)C(C)C ZINC000238740459 EF Annotated Mild O=Cc1c(/C=C2\NCCc3cc4c(cc32)OCO4)ccc2c1OCO2 ZINC000238740494 EF Annotated Anodyne CC(C)[C@@H]1[C@H](O)C(=O)[C@]2(O)c3occ4c3[C@](C)(CCC4=O)CC[C@@]12C ZINC000238740730 EF Annotated Anodyne C=CC[C@]12C[C@H](OC)C(=O)[C@H](C1=O)[C@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000238740922 EF Annotated Mild CC(=O)O[C@H]1[C@H]2[C@]3(C)[C@@H](OC(C)=O)CC[C@]3(C)[C@]1(C)CC[C@]21CO1 ZINC000238741067 EF Annotated Anodyne C=C1O[C@H]2/C=C(/C)C3=CC(=O)[C@@](C)(C[C@@H]4O[C@](O)(C(C)C)[C@]1(C)[C@@H]24)O3 ZINC000238741282 EF Annotated Mild C=C1C[C@]23C[C@H]1CC(=O)[C@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O[C@H]([C@H]21)[C@@H]3O ZINC000238741344 EF Annotated Mild COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)CC3=[N+](C)CC2 ZINC000238741452 EF Annotated Anodyne CC1=C[C@H]2[C@H](C(C)C)CC[C@]34CO[C@]5(OO3)C(=C(C1=O)[C@H](O)[C@H]5C)[C@H]24 ZINC000238741717 EF Annotated Reactive C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@@]2(C)C(=O)/C=C/[C@@](C)(O)CO ZINC000238741723 EF Annotated Mild C=C1[C@@H](OC(C)=O)C[C@@H]2C[C@]3(C)C[C@H](OC(C)=O)C(C)(C)[C@@H]3[C@@]12O ZINC000238741730 EF Annotated Mild C[C@]12CC[C@@H]3C[C@@]1(C[C@H](O)[C@H]1[C@@]24CCC[C@@]1(C)C(=O)O4)C[C@@]3(C)O ZINC000238741830 EF Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238741846 EF Annotated Anodyne CC(=O)OCC1=C2[C@@H](OC(C)=O)CC(C)=C=CC/C(C)=C/[C@H]2OC1=O ZINC000238741847 EF Annotated Anodyne C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)C2=O ZINC000238741850 EF Annotated Clean C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3O ZINC000238742044 EF Annotated Mild C=C(C)[C@H]1CC(=O)[C@H]([C@@H]2C[C@@H]3O[C@]3(C)C(=O)[C@H]2OC(=O)CC(C)C)C1 ZINC000238742079 EF Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1[C@@H](O)[C@H](O)[C@@H]1[C@H]2Cc2occc2[C@@]1(C)O ZINC000238742300 EF Annotated Anodyne C=CC[C@H]1C=CC(=O)[C@@]2(O)O[C@@H](c3ccc4c(c3)OCO4)[C@@H](C)[C@H]12 ZINC000238742304 EF Annotated Mild CC1=CC(=O)[C@H]2O[C@]23[C@@]2(C)CC[C@](C)([C@H](O)CO)C[C@@H]2CC[C@]13C ZINC000238742340 EF Annotated Mild C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC(=O)[C@]1(CCOC1)O2 ZINC000238742376 EF Annotated Anodyne C/C1=C\[C@@H](O)C/C(C=O)=C/C[C@@H]2CCC3=C(C(=O)[C@@H]1[C@H]3O)C2(C)C ZINC000238742449 EF Annotated Reactive COc1cc2c(cc1O)C1=[N+](CC2)Cc2c(ccc(OC)c2OC)C1 ZINC000238742555 EF Annotated Anodyne CC1=C2C=C3CC[C@H]4[C@@](C)(CC[C@@H](O)[C@]4(C)C=O)[C@@H]3C[C@H]2OC1=O ZINC000238742575 EF Annotated Mild O=C1O[C@@H](c2nccc3c4c(ccc23)OCO4)c2ccc3c(c21)OCO3 ZINC000238742859 EF Annotated Anodyne C[C@H](CO)c1cc(O)c2c(c1O)C(=O)[C@H](O)[C@H]1C(C)(C)CCC[C@]21C ZINC000238743082 EF Annotated Anodyne C=CC[C@]12CC=CC(=O)[C@@]1(O)O[C@H](c1ccc(O)c(OC)c1)[C@H]2C ZINC000238743155 EF Annotated Mild COc1cc2c3c4c1O[C@@]1(OC)C[C@@]4(CC[C@@H]3N(C)CC2)CC[C@H]1O ZINC000238743242 EF Annotated Anodyne COc1c(O)ccc2cc3c4cc5c(cc4c(O)c[n+]3cc12)OCO5 ZINC000238743274 EF Annotated Clean C[C@@H]1CC[C@]23COC(=O)C2=CCC[C@H]3[C@@]1(C)C[C@H](O)C1=CC(=O)OC1 ZINC000238743450 EF Annotated Anodyne CC(C)=CC(=O)O[C@@H]1[C@@H]2C(C)=CC(=O)[C@@H]2[C@H](C)C[C@H]2OC(=O)[C@H](C)[C@H]21 ZINC000238743471 EF Annotated Mild C=C1C[C@H](OC(=O)[C@H](C)CC)[C@H]2[C@H](C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H]1O[C@@]21C ZINC000238743578 EF Annotated Mild C/C=C(/C)C(=O)O[C@H]1C[C@H](C)[C@H]2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238743588 EF Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@]1(C)[C@H](OC(=O)/C(C)=C\C)C=C[C@@]3(CO3)[C@@H]21 ZINC000238743613 EF Annotated Mild C=CC[C@@]12C=C(OC)[C@@H](O)[C@@H](C1=O)[C@@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000238743681 EF Annotated Mild C[C@@]1(CCC2=CC(=O)OC2)[C@@H]2CCC=C3C(=O)OC[C@@]32CC[C@H]1C=O ZINC000238743739 EF Annotated Mild C=C1[C@H]2O[C@H]2[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12 ZINC000238744087 EF Annotated Mild C=C1C[C@H](OC(=O)CC(C)C)[C@H]2[C@H](C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H]1O[C@@]21C ZINC000238744228 EF Annotated Mild C=C1C[C@]23C[C@H]1[C@H](O)C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3O ZINC000238744260 EF Annotated Mild COc1cccc(OC)c1[C@H]1OCc2c(O)cc(CO)c(OC)c21 ZINC000238744318 EF Annotated Anodyne C/C1=C/[C@H](C)C(=O)[C@@H](C)C(=O)Nc2cc(O)cc3c2O[C@@H]1[C@H](C)[C@H]3O ZINC000238744375 EF Annotated Anodyne CC1=C2[C@@H](OC(=O)C(C)C)[C@@]3(C)C(=CCC[C@@H]3C)C[C@@]2(O)OC1=O ZINC000238744991 EF Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]3C(C)=C(O)C(=O)C3=C(C)C[C@@H](OCC(C)C)[C@@H]12 ZINC000238745171 EF Annotated Mild CC(C)C1=CC2=C(O)[C@@H](O)[C@@H]3C(C)(C)C[C@@H](O)C[C@@]3(C)C2=C(O)C1=O ZINC000238745279 EF Annotated Mild COc1ccc2c3c([nH]c2c1)[C@@H]1C[C@H]2/C(=C\CO)CN1[C@H]1[C@@H]3OC[C@H]21 ZINC000238745281 EF Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)C3=CCC[C@H]([C@@]1(C)CCC1=C[C@@H](O)OC1=O)[C@]32C ZINC000238745586 EF Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)O[C@](C)([C@H](O)CO)C[C@@H](O)[C@@H]21 ZINC000238745867 EF Annotated Anodyne CO[C@@]1(C)CC2=C(CCCN2CCC/C=C2/C=C(C)C(=O)O2)C1=O ZINC000238745923 EF Annotated Mild C=C1C[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3O ZINC000238746175 EF Annotated Mild C/C(=C\C=C/[C@H](C)/C=C/CC(C)C)[C@H]1[C@@H](O)C=C(CO)C(=O)[C@@H]1O ZINC000238746362 EF Annotated Mild CC1=C2C(=O)C/C(C)=C/CC[C@@H](C)[C@H]3CC[C@@](C)(O3)[C@H](O)[C@H]2OC1=O ZINC000238746474 EF Annotated Mild COC(=O)/C=C\c1c2c(c3occc3c1OC)OC[C@@H](C(C)(C)O)O2 ZINC000238746594 EF Annotated Anodyne CC1=C2[C@@H](C[C@H]1O)[C@]1(C)C[C@@H](OC(=O)CC(C)C)[C@H]3[C@@H](C1)C(=O)O[C@@H]23 ZINC000238746620 EF Annotated Anodyne CC1=C2[C@H](C[C@@H]3[C@]4(CC[C@@H]5C(C)(C)C(=O)C=C[C@]53C)O[C@H]24)OC1=O ZINC000238746651 EF Annotated Mild C=C1CC[C@@H]2[C@@](C)(C[C@H](O)C[C@@]2(C)CO)[C@@H]1CCC1=CCOC1=O ZINC000238746746 EF Annotated Mild COc1ccc([C@@]23C=C[C@@H](OC(C)=O)C[C@@H]2N(C)CC3)cc1OC ZINC000238747010 EF Annotated Anodyne COc1cc2c3c4c1O[C@@]1(OC)C[C@]4(CC[C@H]3N(C)CC2)CC[C@H]1O ZINC000238747022 EF Annotated Anodyne C[C@@H]1[C@H](O)C[C@@]23OCC(=O)C2=CCC[C@@H]3[C@@]1(C)C[C@@H](O)c1ccoc1 ZINC000238747300 EF Annotated Mild C=C1CC[C@H](OC)[C@H](COC)C(=O)C[C@@H]2[C@@H]1C[C@@]2(C)COC(C)=O ZINC000238747389 EF Annotated Mild COc1cc2c3c4c1O[C@@]1(OC)C[C@H](O)CC[C@@]41CC[C@H]3N(C)CC2 ZINC000238747400 EF Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@]12CC(=O)[C@](C)(C[C@H](O)C1)[C@H]2[C@@H]3C(=O)O ZINC000238747422 EF Annotated Mild CC(=O)c1ccc2c(c1)CC[C@@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C ZINC000238747572 EF Annotated Mild CC1(C)[C@H](O)C(=O)C[C@@]2(C)[C@@H]1CC[C@@]1(CO)c3cocc3CC[C@@H]12 ZINC000238747600 EF Annotated Anodyne CC(=O)O[C@H]1C(C)=C[C@H]2C(=C(C)C)C(=O)C[C@H](C)[C@H]2[C@H]1OC(C)=O ZINC000238747670 EF Annotated Mild COc1cc2c(cc1C)C(=O)c1cc(OC)c(O)c(OC)c1C2=O ZINC000238747774 EF Annotated Clean CC(/C=C/C=C(\C)[C@H](O)[C@@H](C)[C@@H](O)CC(=O)O)=C\c1coc(C)n1 ZINC000238747938 EF Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@]1(O)C[C@H](OC(=O)CC(C)C)C(=C)[C@H]21 ZINC000238748045 EF Annotated Mild C=C1CC/C=C(\COC(C)=O)C(=O)C[C@@H]2[C@H]1C[C@@]2(C)COC(C)=O ZINC000238748079 EF Annotated Mild CCCCc1cc(O)c2c(c1-c1cc(O)cc(=O)o1)C[C@@H](O)CC2=O ZINC000238748087 EF Annotated Anodyne CC(C)CC(=O)O[C@@H]1C(=O)[C@@]2(C)O[C@H]2C[C@H]1[C@]12C[C@H](CC1=O)C2(C)C ZINC000238748547 EF Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CO)[C@@H](O)CC[C@]2(C)[C@H]1CCC1=CCOC1=O ZINC000238748552 EF Annotated Mild COC1=CC=C2C3=C(O)C(OC)=C(OC)[C@H]4C=CN=C(C(=O)[C@@H]2C1)[C@H]34 ZINC000238748722 EF Annotated Anodyne CO[C@H]1C=CC2=CCN3C[C@H](OC)c4cc5c(cc4[C@]23C1)OCO5 ZINC000238748738 EF Annotated Anodyne Cc1coc2c1C[C@H]1[C@](C)(O)[C@H](OC(=O)[C@@]3(C)O[C@@H]3C)CC[C@]1(C)C2 ZINC000238748837 EF Annotated Anodyne C[C@@H]1C[C@H]1/C=C/CC/C=C\C=C/CC/C=C\C(=O)NC(CO)CO ZINC000238748964 EF Annotated Anodyne C[C@H]1C[C@@H]2OC(=O)C3=C[C@@H](O)C[C@H]([C@@]32C)[C@]1(C)CC[C@H]1COC(=O)C1 ZINC000238749134 EF Annotated Anodyne COC(=O)[C@]1(C)C[C@@H](O)C[C@]2(C)c3ccc([C@H](C)CO)cc3CC[C@H]21 ZINC000238749155 EF Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](COC(=O)C(C)C)[C@@H]1CCC(=O)[C@]12C ZINC000238749318 EF Annotated Mild C=C[C@@]1(C)C[C@H]2OC(=O)[C@@H](C)[C@H]2[C@@]12C(=O)Oc1cccc(C)c1C2=O ZINC000238749415 EF Annotated Mild COc1cc(O)c(-c2oc3cc(O)c(O)cc3c2C(=O)O)c(O)c1 ZINC000238749588 EF Annotated Clean C=C1C(=O)O[C@H]2C[C@@H](C)C3=C(C[C@H]12)[C@](C)(O)C[C@@H]3OC(=O)CC(C)C ZINC000238749605 EF Annotated Mild CC(C)(O)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)CO)[C@H]2CC1 ZINC000238749661 EF Annotated Mild C=C1CC[C@@H](O)[C@@]2(C)CC[C@@H]3[C@@H](OC(=O)[C@@]3(C)OC(=O)/C(C)=C\C)[C@H]12 ZINC000238749767 EF Annotated Mild C/C=C(\C)C(=O)O[C@@H]1C[C@@H]2C(C)=C[C@@H]3OC(=O)[C@H](C)[C@H]3C[C@H]2[C@]1(C)O ZINC000238749830 EF Annotated Anodyne C=C1CC[C@H](OC)[C@H](COC)C(=O)C[C@@H]2[C@H]1C[C@]2(C)COC(C)=O ZINC000238749965 EF Annotated Mild C=C1C[C@]23CC(=O)[C@H]4[C@@]5(C)CC(=O)C[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N(C)C5 ZINC000238750117 EF Annotated Mild C/C=C(\C)[C@H]1O[C@]2(C)C[C@@H](O)[C@H]3C(C)(C)CCC(=O)[C@]3(C)[C@H]2[C@@H]1O ZINC000238750169 EF Annotated Anodyne COc1ccc([C@]23CCN(C)[C@H]2c2cccc[n+]2CC3)cc1OC ZINC000238750300 EF Annotated Anodyne CC1=C2C=C3[C@@H](O)C[C@@H]4C(C)(C)CCC[C@@]4(C)[C@]3(O)C[C@H]2OC1=O ZINC000238750467 EF Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O[C@@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000238750823 EF Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)CCC[C@](C)(O)[C@H]3[C@@H](OC(=O)C=C(C)C)[C@H]12 ZINC000238750829 EF Annotated Mild CC(=O)OCC1(COC(C)=O)[C@@H]2CCC(C)=C3C(=O)C[C@@H](C)[C@H]3[C@@H]21 ZINC000238751155 EF Annotated Mild C=C1C[C@H](O)/C=C(\C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)CO[C@H](O)[C@@H]12 ZINC000238751451 EF Annotated Mild C[C@H]1[C@@H]2O[C@H](C3=CC(=O)OC3)C[C@@]1(C)[C@H]1CCC=C3C(=O)O[C@H]2[C@@]31C ZINC000238751466 EF Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@H]3OC(=O)C(C)=C3[C@@H]3OC[C@@H]1[C@]23C ZINC000238751584 EF Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@H]1CC1=C2[C@@]2(C)[C@H](O)CC[C@](C)(C(=O)O)[C@@H]2CC1 ZINC000238751743 EF Annotated Mild CC(=O)OCC1=C2C[C@H]3CC[C@@H](C)[C@]2(CC1=O)[C@@]3(C)COC(C)=O ZINC000238751954 EF Annotated Mild CC(C)[C@]12CC[C@]3(C)[C@@H]4CC[C@](C)(O)[C@H]4C(=O)C[C@@](C)(O)[C@@H](O1)[C@H]23 ZINC000238752054 EF Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C=C[C@](C)(O)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238752154 EF Annotated Anodyne C=C(CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CC[C@@H](O)[C@]2(C)O)[C@H](O)CO ZINC000238752266 EF Annotated Mild C=C1C(=O)O[C@]23[C@H]4[C@@H]5CC[C@@]4(C)O[C@]12[C@@H](OC(=O)/C(C)=C/C)C[C@@]53C ZINC000238752286 EF Annotated Mild C=C1C(=O)O[C@@H]2C(=O)/C(C)=C/CC/C(C)=C/CC[C@]3(CO)O[C@H]3C[C@@H]12 ZINC000238752289 EF Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C ZINC000238752450 EF Annotated Anodyne C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238752493 EF Annotated Mild CC1(C)C(=O)CC[C@@]2(C)[C@@H]3C[C@@H](O)[C@](C)(C(=O)CO)C=C3CC[C@H]12 ZINC000238752553 EF Annotated Anodyne COC(=O)[C@]1(C)C[C@H](O)C[C@]2(C)c3ccc([C@H](C)CO)cc3CC[C@H]21 ZINC000238752794 EF Annotated Anodyne C=C1CC[C@H]2O[C@]2(CO)C[C@@H]2O[C@@]23[C@H](C(C)(C)O)CC[C@@]3(C)CC1 ZINC000238752811 EF Annotated Mild CC(C)C1=CC(=O)C2=C(CC[C@@H]3[C@@](C)(C(=O)O)C[C@@H](O)C[C@]23C)C1=O ZINC000238752864 EF Annotated Mild C/C=C1/CN2CC[C@@]34C(=Nc5cc(O)ccc53)[C@H]2C[C@H]1[C@H]4C(=O)OC ZINC000238753034 EF Annotated Anodyne CC[C@@H](C)C(=O)[C@]12C[C@@H]3OC(=O)[C@@]1(C)[C@@H]1CC[C@@H]4[C@H](O)OC=C3[C@]41C2 ZINC000238753052 EF Annotated Anodyne C=C(C)C(=O)O[C@@H]1C[C@H]2O[C@]23Cc2occ(C)c2[C@@H](O)[C@]3(C)[C@H]1C ZINC000238753167 EF Annotated Mild C[C@@H]1[C@H](O)C[C@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCC1=CC(=O)OC1 ZINC000238753176 EF Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1CC(C)=C2C=C[C@](C)(O)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238753194 EF Annotated Anodyne COC(=O)[C@]1(C)C(/C=C/C(C)=C\CCC(C)=O)=C(C)C(=O)C[C@@H]1O ZINC000238753226 EF Annotated Mild C=C1C(=O)O[C@H]2C/C(C)=C/C/C=C(/COC(=O)C(C)C)[C@H](O)C[C@H]12 ZINC000238753513 EF Annotated Mild CC(=O)O[C@@H]1[C@@H](C)C[C@]23C4=CCCN2CCC[C@H]3[C@H](OC(C)=O)C[C@@H]41 ZINC000238753578 EF Annotated Anodyne CC(C)C1=C2[C@H]3C[C@H]4O[C@](O)(C=C4CO)[C@]3(C)CC[C@@]2(C)[C@H](O)C1 ZINC000238753735 EF Annotated Anodyne C/C=C1\C[N+]2(C)[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c3n(C)c2ccc(O)cc12 ZINC000238753818 EF Annotated Bother C[C@H]1[C@H]2[C@H](O)OC[C@H]3[C@@H]4Cc5c(n(C)c6ccccc56)[C@H](C[C@@H]23)[N+]14C ZINC000238754084 EF Annotated Bother CC1=CC(=O)C[C@H]2[C@]1(C)CC(=O)[C@H]1C[C@@](C)([C@H](O)CO)CC[C@@]12C ZINC000238754118 EF Annotated Mild CC1=CC[C@H](C(C)C)[C@H]2[C@@H]3O[C@@H](C[C@](C)(O)[C@@H](O)CC[C@@]3(C)O)[C@@H]12 ZINC000238754288 EF Annotated Anodyne C=C[C@]1(C)c2c(c3c(C)cccc3oc2=O)OC[C@@]12OC(C)(C)[C@@H]2O ZINC000238754464 EF Annotated Mild Cc1ccc2c3c1CC[C@@H](C(C)(C)O)[C@]3(O)C(=O)[C@@]1(C(C)C)O[C@@H]21 ZINC000238754841 EF Annotated Anodyne C/C1=C\[C@H](C)C(=O)[C@@H](C)C(=O)Nc2cc(O)cc3c2O[C@@H]1[C@H](C)[C@H]3O ZINC000238755130 EF Annotated Anodyne CC(=O)CC1=C(C)C(=O)[C@](C)(CC=C(C)C)[C@]2(C1)C[C@@H](O)C(=O)O2 ZINC000238755160 EF Annotated Mild COc1cc2c(cc1OC)[C@H]1CN(C)[C@@H]2c2cc3c(cc21)OCO3 ZINC000238755202 EF Annotated Anodyne Cn1c2ccccc2c(=O)c2c(O)cc(O)c(/C=C\C(C)(C)O)c21 ZINC000238755366 EF Annotated Bother C=C1C(=O)O[C@H]2[C@H]1CCC(COC(=O)[C@H](C)CC)=C1C[C@H](O)C(=C)[C@@H]12 ZINC000238755371 EF Annotated Mild C/C1=C\CC/C=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@H](OC(=O)CC(C)(C)O)C1 ZINC000238755416 EF Annotated Anodyne CC(=O)NC1=Nc2ccc(Cl)cc2C(c2ccc(O)cc2)=NN1 ZINC000238755533 EF Annotated Clean CC(C)c1cc2c(oc1=O)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1[C@@H](O)C2=O ZINC000238756065 EF Annotated Anodyne C/C=C1/CN2CC[C@]34C(=Nc5c(O)cccc53)[C@@H]2C[C@@H]1[C@@H]4C(=O)OC ZINC000238756131 EF Annotated Anodyne C[C@@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@@]1(C)C(=O)C=C[C@H](O)[C@@H]21 ZINC000238756147 EF Annotated Mild CC1=C[C@H](O)C[C@H]2[C@@]13CC[C@@H](C(=O)OC3)[C@]2(C)CCC1=CCOC1=O ZINC000238756277 EF Annotated Anodyne CC(C)COC(=O)[C@@H]1[C@@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000238756443 EF Annotated Anodyne C[C@@]1(CCC2=CC(=O)OC2)[C@@H]2CCC=C3C(=O)OC[C@@]32CC[C@H]1CO ZINC000238756454 EF Annotated Anodyne C=C[C@H](O)C#CC#CC[C@@H](O)/C=C\CCCCCCCOC(C)=O ZINC000238756637 EF Annotated Mild CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13O[C@]12C(=O)C=C(C=O)[C@@H]3[C@H]1CO1 ZINC000238756706 EF Annotated Reactive C=C1CC[C@H]2[C@](C)(CO)C(=O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000238757039 EF Annotated Mild CC[C@H]1CN[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@H]2C(=O)OC ZINC000238757060 EF Annotated Anodyne CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@@H]2CO ZINC000238757132 EF Annotated Anodyne C/C=C(\C)C(=O)C[C@@H]1[C@@]2(C)[C@@H](O)CCC(C)(C)[C@]2(O)CC[C@@]1(C)O ZINC000238757169 EF Annotated Mild CC(C)=CCC[C@@H]1COC(=O)[C@H]2/C(C=O)=C\C[C@H]3O[C@@]3(C)C[C@H](O)[C@H]12 ZINC000238757195 EF Annotated Reactive C=C[C@@]1(C)C(=O)C=C2[C@@]3(CC[C@]4(C)C(C)(C)[C@H](O)C(=O)C[C@@]24C)O[C@@H]13 ZINC000238757327 EF Annotated Mild C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCN5CC[C@@]34[C@H]5O)[C@@H]1C[C@@H]1OC(=O)C[C@@H]12 ZINC000238757576 EF Annotated Anodyne C=CC[C@]12C=C(OC)[C@@H](O)[C@H]([C@@H](c3ccc4c(c3)OCO4)[C@@H]1C)[C@@H]2O ZINC000238757789 EF Annotated Mild C/C=C1\C[C@H]2[C@H]3[C@H]4N(C)c5ccccc5[C@@]4(CCN3C1)[C@@H]2C(=O)OC ZINC000238757894 EF Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](C(=O)[C@H](C)CC)/C=C(/C=O)C[C@@H](O)[C@@H]12 ZINC000238757999 EF Annotated Reactive C[C@@]1(CCC(=O)O)C(=O)CC[C@@H]2[C@@](C)(CC(=O)O)C(=O)CC[C@]21C ZINC000238758358 EF Annotated Anodyne CC[C@@H](C)/C=C/C=C/C(=O)C1=C(O)[C@@H](Cc2ccc(O)cc2)NC1=O ZINC000238758389 EF Annotated Mild COc1ccc2c(c1)O[C@@H]1c3cc(OC)c(OC)cc3CO[C@H]1[C@H]2O ZINC000238758448 EF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@H]2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@H](C)[C@H]21 ZINC000238758582 EF Annotated Mild C=C1CC[C@@H](C(C)C)C(=O)[C@@H]2[C@H]([C@H](O)C[C@]2(C)O)[C@@]2(C)CC[C@@H]1O2 ZINC000238758707 EF Annotated Mild CO/C=C(/C(=O)OC)[C@H]1CCN2CC[C@]3(CNc4ccccc43)[C@@H]2C1 ZINC000238758757 EF Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@H](OC(=O)[C@H](C)CC)[C@@H](O)C=C(C)[C@H]3C[C@H]12 ZINC000238758769 EF Annotated Mild C/C=C1\C[N+]2(C)CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@@H]32)Nc1ccccc14 ZINC000238758955 EF Annotated Bother C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@@H]1C[C@H](OC(=O)[C@@H](N)C(C)C)C(=C)[C@H]21 ZINC000238759179 EF Annotated Mild CC(=O)O[C@H]1[C@@H](C)C[C@@]23[C@@H]4CCCN2CCC[C@@H]3[C@@H]1C[C@H]4OC(C)=O ZINC000238759287 EF Annotated Anodyne C[C@@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@@]1(C)C(=O)C=CC(=O)[C@@H]21 ZINC000238759367 EF Annotated Mild C[C@@H]1CC[C@@]2(CO)C(CO)=CCC[C@@H]2[C@@]1(C)CCC1=CCOC1=O ZINC000238759582 EF Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(OC)c(OC)c(C)c1C2=O ZINC000238759781 EF Annotated Clean CC[C@@H](C)C(=O)O[C@@H]1C[C@]2(C)C[C@H]3C(=O)O[C@@H](C4=C(C)[C@H](O)C[C@H]42)[C@@H]13 ZINC000238759914 EF Annotated Anodyne CC1=CC(=O)[C@@H]2O[C@@]23[C@@]2(C)CC[C@](C)([C@H](O)CO)C[C@@H]2CC[C@]13C ZINC000238759989 EF Annotated Mild CCO[C@H]1OC[C@@]2(C)CC(C)(C)[C@@H]3[C@@H](OC(C)=O)C[C@@H](C)[C@H]1[C@@]32O ZINC000238760136 EF Annotated Anodyne CC1=C2[C@@H](C[C@@H]3[C@]4(CC[C@@H]5C(C)(C)C(=O)C=C[C@]53C)O[C@H]24)OC1=O ZINC000238760327 EF Annotated Mild CC(=O)O[C@H]1[C@@H]2C(CO)=CC[C@@]1(C)[C@@]1(C)CC[C@H](OC(C)=O)[C@@]21C ZINC000238760376 EF Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(C1=O)C(=O)[C@@H](O)[C@@H]1C(C)(C)CCC[C@]21C ZINC000238760803 EF Annotated Mild CC1=C2C=C3CC[C@@H]4C(C)(C)[C@@H](O)C(=O)C[C@@]4(C)[C@@H]3C[C@H]2OC1=O ZINC000238760947 EF Annotated Anodyne C=C1CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@@H](OC(=O)[C@@]3(C)OC(=O)/C(C)=C\C)[C@@H]12 ZINC000238761058 EF Annotated Mild CC1=C2C=C3CC[C@H]4[C@@](C)(CC[C@@H](O)[C@]4(C)CO)[C@@H]3C[C@H]2OC1=O ZINC000238761062 EF Annotated Anodyne Cc1coc2c1C[C@@]1(C)[C@H](C2=O)[C@@H](O)C[C@@H](OC(=O)C(C)C)[C@@H]1C ZINC000238761073 EF Annotated Anodyne C=C1CC[C@H](O)[C@@]2(C)CC[C@H]3[C@@H](OC(=O)[C@@]3(C)OC(=O)/C(C)=C\C)[C@H]12 ZINC000238761313 EF Annotated Mild COc1cc(C)c(C(=O)Oc2cc3c(c(O)c2C)C(=O)OC3)c(O)c1 ZINC000238761470 EF Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@H]2C(=O)O ZINC000238761476 EF Annotated Anodyne O=C1[C@H]2O[C@H]2c2c3c(cc(O)c2[C@H]1O)-c1ccc(O)c2c(O)ccc-3c12 ZINC000238761722 EF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H]1C[C@H]2/C(=C\CO)CN1[C@@H]1[C@H]2CO[C@H]31 ZINC000238761933 EF Annotated Anodyne COc1ccc(/C=C2/COc3c(OC)c(O)cc(O)c3C2=O)cc1 ZINC000238761958 EF Annotated Mild C[C@@H]1C(=O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCC1=CC(=O)OC1 ZINC000238762079 EF Annotated Anodyne C=C[C@@]1(CO)CC[C@@H]2[C@](C)(C[C@@H](O)[C@@H]3[C@@](C)(CO)CCC[C@]32C)O1 ZINC000238762086 EF Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C[C@H]2C(C)=C[C@H]3OC(=O)[C@@H](C)[C@H]3C[C@H]2[C@]1(C)O ZINC000238762164 EF Annotated Anodyne C=C1C[C@H](OC(=O)CC(C)C)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 ZINC000238762366 EF Annotated Mild C=C1C(=O)O[C@H]2[C@@H]1CC[C@@H](COC(=O)C(C)C)[C@H]1CCC(=O)[C@@]21C ZINC000238762404 EF Annotated Mild C/C=C(\C)C(=O)O[C@H]1CC(C)=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238762631 EF Annotated Anodyne CC[C@H]1[C@@H]2CC[N+]3([O-])CC[C@@]4(C(=C2C(=O)OC)Nc2ccccc24)[C@@H]13 ZINC000238762633 EF Annotated Bother C[N+]12CCC[C@@]34CC[C@]5(Nc6ccccc6[C@@]5(CC1)[C@@H]32)[C@@H](C(=O)O)C4 ZINC000238762643 EF Annotated Bother C/C=C(/C)C(=O)OC(C)(C)[C@H]1CC2=C(C=C[C@H]3C=CC(=O)O[C@H]23)O1 ZINC000238762654 EF Annotated Anodyne CC1(C)C(=O)[C@@H](O)C[C@]2(C)[C@@H]3CCc4cocc4[C@]3(CO)CC[C@@H]12 ZINC000238762767 EF Annotated Anodyne CC1(C)OC[C@]2(COc3cc(O)ccc3-c3cc(O)c(O)cc3C2)O1 ZINC000238762788 EF Annotated Clean C=C(C)[C@H]1CCC(=C)[C@@H]2[C@@H]1C=C(C)C(=O)[C@@]13C[C@]1(C)OC(=O)[C@]23O ZINC000238762875 EF Annotated Mild C/C=C1\CN(CCO)[C@H]2C[C@@H]1[C@H](C(=O)OC)n1c2cc2ccccc21 ZINC000238762910 EF Annotated Anodyne C=C(C)[C@@H]1CC(=O)[C@H]([C@@H]2C[C@@H]3O[C@]3(C)C(=O)[C@H]2OC(=O)CC(C)C)C1 ZINC000238762918 EF Annotated Mild C=C1C(=O)O[C@H]2[C@@H]1CC[C@@]1(C)[C@H](OC(=O)/C(C)=C\C)[C@@H]3O[C@@H]3C(=C)[C@H]21 ZINC000238763023 EF Annotated Mild C=C1CC[C@H]2[C@H](C(C)(C)O)CC[C@]2(C)[C@H](O)/C=C(\CO)CC[C@@H]1O ZINC000238763113 EF Annotated Mild C=C1C2=C[C@@H](O)[C@@H](C)[C@]1(C)CC[C@]1(C)O[C@@H]1CC[C@@]1(C)O[C@H]1C2=O ZINC000238763158 EF Annotated Mild C[C@H]1C[C@H](O)[C@@]2(C)C(CO)=CCC[C@H]2[C@]1(C)CCC1=CC(=O)OC1 ZINC000238763317 EF Annotated Anodyne C=C[C@]1(C)CC[C@@H]2C(=C[C@H]3OC(=O)[C@]4(C)[C@@H]3[C@]23CC[C@]4(O)OC3)C1 ZINC000238763419 EF Annotated Mild COC(=O)[C@@]12COCC[C@H]3[C@@H]1CCN(C)[C@H]3c1[nH]c3ccccc3c12 ZINC000238763489 EF Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]3(COC(=O)C=C(C)C)[C@@H](CCC(C)=O)[C@@H]3C[C@H]12 ZINC000238763518 EF Annotated Mild C[C@@H]1CC[C@]23COC(=O)C2=CCC[C@H]3[C@]1(C)C[C@@H](O)C1=CC(=O)OC1 ZINC000238763822 EF Annotated Anodyne CC[C@H]1CN[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@H]2C(=O)OC ZINC000238763889 EF Annotated Anodyne C=CC[C@]12CC=CC(=O)[C@@]1(O)O[C@@H](c1ccc(O)c(OC)c1)[C@H]2C ZINC000238763935 EF Annotated Mild CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H]2C[C@H](C)C[C@@]34[C@@H]1CCCN3CCC[C@H]24 ZINC000238764001 EF Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1[C@@H](OC(=O)[C@H](C)CC)CC(=C)[C@@H]12 ZINC000238764167 EF Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1[C@@H](O)C[C@@]1(C)O[C@@](C)([C@H](O)CO)CC[C@H]21 ZINC000238764207 EF Annotated Anodyne Cc1ccc2c(c1)N(CCN(C)C)C(=O)[C@H](c1ccc(O)cc1)O2 ZINC000238764689 EF Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c(n(C)c4ccccc34)C(=O)C[C@@H]1[C@H]2CO ZINC000238764882 EF Annotated Anodyne CC[C@@H]1CN(C)[C@H]2C[C@@H]3c4ccccc4N(C)[C@H]3[C@H]3C[C@@H]1[C@@H]2C(=O)O3 ZINC000238764901 EF Annotated Anodyne C=CC[C@@]12C[C@@H](OC)[C@@H](O)[C@@H](C1=O)[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C ZINC000238764979 EF Annotated Mild C=C1C[C@H](OC(=O)/C(C)=C/C)[C@H]2[C@H](C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H]1O[C@@]21C ZINC000238765046 EF Annotated Mild C/C=C1/CN2CCc3c4n(c5cc(O)ccc35)[C@H](C(=O)OC)[C@@H]1C[C@H]42 ZINC000238765074 EF Annotated Anodyne COC(=O)[C@H]1C[C@]23C=CCN4CC[C@]5(c6ccccc6N[C@@]15CC2)[C@H]43 ZINC000238765177 EF Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@]1(O)C[C@H](OC(=O)/C(C)=C\C)C(=C)[C@H]21 ZINC000238765252 EF Annotated Mild COc1ccc(C(=O)[C@H]2[C@@H]3C=C4OCOC4=C[C@H]3CCN2C)cc1 ZINC000238765397 EF Annotated Anodyne CC(C)[C@]1(O)C=C2C(=O)[C@H](O)[C@H]3[C@@](C)(C=O)CCC[C@]3(C)[C@@H]2CC1 ZINC000238765418 EF Annotated Mild O[C@@H]1c2ccc3c(c2Oc2c4c(cc5ccnc1c25)OCO4)OCO3 ZINC000238765659 EF Annotated Anodyne Cc1cccc2oc(=O)c3c(c12)OC(C)(C)C1=C3[C@H](O)[C@](C)(O)CC1 ZINC000238765732 EF Annotated Anodyne CC1(C)N[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](O)[C@]3(O)CC[C@H]1C[C@H]23 ZINC000238765762 EF Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H]1O[C@@]1(C)C/C=C/[C@](C)(O)CCC2=O ZINC000238765792 EF Annotated Mild C[C@@H]1[C@H](O)C[C@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC[C@H]1COC(=O)C1 ZINC000238765813 EF Annotated Anodyne CC1(C)CCC[C@]2(C)[C@H]3Cc4occc4[C@@H](C(=O)O)[C@H]3[C@@H](O)[C@H](O)[C@H]12 ZINC000238766459 EF Annotated Anodyne C/C=C1/C[N+]2([O-])CC[C@@]34C[C@@H]2[C@@H]1C(C(=O)OC)=C3Nc1ccccc14 ZINC000238766577 EF Annotated Bother C=C[C@@]1(C)CCC2=C([C@H](O)C(=O)[C@@]3(O)C(C)(C)CCC[C@]23C)[C@H]1O ZINC000238766700 EF Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](C[C@H]12)C(C)=C[C@H](O)[C@H]3OC(=O)[C@H](C)CC ZINC000238766757 EF Annotated Mild C=C1C(=O)O[C@@H]2C(=O)[C@@H](C)CCC[C@](C)(O)/C=C/C[C@]3(C)O[C@H]3C[C@H]12 ZINC000238767132 EF Annotated Mild C=C1C2=C[C@H](O)[C@@H](C)[C@]1(C)CC[C@]1(C)O[C@@H]1CC[C@@]1(C)O[C@H]1C2=O ZINC000238767177 EF Annotated Mild CC(C)C1=C(O)C(=O)C2=C3NC(=O)C4=C3[C@@](C)(CC[C@@H]4O)CC[C@@]21C ZINC000238767233 EF Annotated Mild COc1cc([C@]2(COC(C)=O)CO2)c(OC(=O)CC(C)C)cc1C ZINC000238767266 EF Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)[C@H](O)CC[C@@](C)([C@@H]23)[C@@]1(O)CCc1ccoc1 ZINC000238767709 EF Annotated Anodyne COc1c(C)c(O)c(C(=O)C[C@H](O)c2ccccc2)c(O)c1C=O ZINC000238767715 EF Annotated Anodyne CC(C)C1=C(O)C(=O)C2=CC3=CCC[C@]4(C)C(=O)O[C@@H](C=C2C1=O)[C@H]34 ZINC000238767734 EF Annotated Mild C=C1[C@H]2O[C@H]2[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)CC[C@H]3[C@H](OC(=O)[C@@H]3C)[C@@H]12 ZINC000238767750 EF Annotated Mild C=C[C@@H](CO)[C@H]1CC[N+]2([O-])CCc3c([nH]c4ccc(O)cc34)[C@@H]2C1 ZINC000238767766 EF Annotated Mild C=CC[C@]12C=C(OC)C(=O)[C@H]([C@@H](c3ccc(OC)c(OC)c3)C1)[C@@H]2O ZINC000238767772 EF Annotated Mild C/C=C(\C)[C@H]1O[C@]2(C)C[C@@H](O)[C@H]3C(C)(C)CC[C@@H](O)[C@]3(C)[C@H]2[C@@H]1O ZINC000238768016 EF Annotated Anodyne C=C(C)/C=C/c1cc(O)c2c(c1O)C(=O)c1c(O)ccc(O)c1C2=O ZINC000238768178 EF Annotated Mild COc1cccc2c1C(=O)c1ccc3c(c1C2=O)[C@@H](O)C[C@@H](C)[C@@H]3O ZINC000238768211 EF Annotated Clean C/C=C1/CN2CC[C@]34C(=C(C(=O)OC)[C@@H]1C[C@H]23)Nc1c(O)cccc14 ZINC000238768435 EF Annotated Anodyne C[C@@H]1C[C@@H](O)[C@@]2(C)C(=CC[C@@]2(C)CO)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000238768457 EF Annotated Anodyne C[C@@H]1CN2C[C@H]3CCC4=CC(=O)[C@@H]5CC[C@@]6(C(=O)[C@@H]1C[C@@H]2[C@@]36C)[C@@H]45 ZINC000238768527 EF Annotated Mild C/C=C1/CN2CC[C@@]34c5ccccc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@H]4C(=O)OC ZINC000238768755 EF Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(C=C[C@H]3[C@]4(C)CCC[C@]23OCC4=O)C1=O ZINC000238768836 EF Annotated Mild CC1=CCC[C@H]2[C@]13COC(=O)[C@H](C[C@@H]3O)[C@]2(C)CCC1=CCOC1=O ZINC000238768849 EF Annotated Anodyne C=C1C[C@H](O)C[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@@]12C ZINC000238768890 EF Annotated Mild CC(C)(O)/C=C\C=C(\C=O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@]2(CO3)[C@@H]1C=O ZINC000238769027 EF Annotated Reactive C/C=C1\CN=C2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@@H]1[C@@H]2CO3 ZINC000238769205 EF Annotated Anodyne CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@@]2(C)C1 ZINC000238769323 EF Annotated Mild C=C1[C@@H](OC(C)=O)C[C@@H](C(C)C)[C@H]2[C@@H]([C@H](C)OC(C)=O)C(=O)C[C@@H]12 ZINC000238769397 EF Annotated Mild CC[C@@H]1[C@@H]2CCN3CC[C@@]4(C(=C2C(=O)OC)Nc2cc(O)ccc24)[C@@H]13 ZINC000238769569 EF Annotated Anodyne COc1ccc2c(c1)CN(c1ccc(OC)cc1OC)CN2C=O ZINC000238769755 EF Annotated Clean CC(C)C1=C2[C@@H]3C[C@@H](O)C(CO)=CC(=O)[C@]3(C)CC[C@@]2(C)CC1=O ZINC000238769818 EF Annotated Mild C=C1[C@@H](OC(C)=O)C[C@@H](C(C)C)[C@@H]2[C@@H]([C@H](C)OC(C)=O)C(=O)C[C@@H]12 ZINC000238769838 EF Annotated Mild CC/C=C\C[C@H](O)[C@@H](O)/C=C/[C@@H](O)CCCCCCCC(=O)OC ZINC000238769853 EF Annotated Anodyne C[C@H](O)[C@@H]1COC[C@@H]2[C@H]1C[C@@H]1c3c(c4ccccc4n3C)C[C@H]2N1C ZINC000238769881 EF Annotated Anodyne C=C(CO)C(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C ZINC000238769955 EF Annotated Mild COc1cc2c3c(c1)oc(=O)c1c(O)c(OC)c(OC)c(c13)CC2 ZINC000238770297 EF Annotated Bother CCC1=CC(=O)[C@@H]2c3cc4cccc(O)c4c(O)c3C(=O)C[C@]2(O)C1 ZINC000238770322 EF Annotated Mild C[C@@H]1CN2C[C@H]3CCC4=C5[C@H](CC[C@@]56C(=O)[C@@H]1C[C@@H]2[C@@]36C)CC4=O ZINC000238770477 EF Annotated Mild C/C=C1/CN(C)[C@@H]2Cc3c(n(C)c4ccccc34)C(=O)C[C@@H]1[C@H]2CO ZINC000238770486 EF Annotated Anodyne C=C[C@@]1(C)CC[C@H]2[C@@]3(C1)O[C@@H]1O[C@H]([C@@H]3O)[C@H]3C(C)(C)C[C@H](O)C[C@@]132 ZINC000238770634 EF Annotated Mild C=CC[C@@]12CC=CC(=O)[C@@]1(O)O[C@@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000238770656 EF Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CCC(COC(=O)/C(C)=C\C)=C1C[C@H](O)C(=C)[C@@H]12 ZINC000238770889 EF Annotated Mild C=C1[C@H]2C[C@@H]3C(=C)C(=O)O[C@@H]3C[C@@]2(C)[C@@H](O)C[C@H]1OC(=O)CC(C)C ZINC000238771080 EF Annotated Mild C[C@@H]1C=C[C@@H]2CCCC[C@@H]2[C@H]1c1cc(NCCO)c(C=O)c(=O)o1 ZINC000238771142 EF Annotated Anodyne C=CC[C@@]12C=C(OC)[C@@H](O)[C@@H](C1=O)[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C ZINC000238771144 EF Annotated Mild C=C1CC[C@@H]2C(CO)(CO)CCC[C@@]2(C)[C@@H]1CCC1=CCOC1=O ZINC000238771407 EF Annotated Mild C=C1C[C@]23C[C@H]1CCC2=C1CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238771441 EF Annotated Mild CC(=O)N1c2ccccc2[C@@]23CCC[C@H]4[C@@H](C)OC[C@@H]([C@H]12)[C@H]4C[C@@H]3N ZINC000238771487 EF Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C(=O)[C@@]2(C)O[C@H]2C[C@H]1[C@@]12C[C@@H](CC1=O)C2(C)C ZINC000238771498 EF Annotated Anodyne CC1=C2C=C3CC[C@@H]4C(C)(C)[C@H](O)C[C@H](O)[C@@]4(C)[C@@H]3C[C@H]2OC1=O ZINC000238771596 EF Annotated Anodyne C=C1C[C@]23CC[C@@]1(O)C[C@H]2[C@@]12CCC[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000238771641 EF Annotated Mild C=C(C)[C@H](O)CC[C@H](C)[C@H]1CC[C@]2(C)[C@H](O)CC=C(C=O)[C@]12C=O ZINC000238771753 EF Annotated Reactive COc1cccc2c1N[C@H]1CC[C@]34CCO[C@H]3CCN3CC[C@]21[C@@H]34 ZINC000238771757 EF Annotated Anodyne CC(C)=CC(=O)O[C@H]1C[C@](C)(O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@H](C)[C@H]12 ZINC000238771800 EF Annotated Anodyne C[C@H]1C(=O)[C@@H]2OC(=O)[C@]3(C)CCC[C@](C)([C@H]23)[C@]1(O)CCc1ccoc1 ZINC000238771874 EF Annotated Anodyne C=C(C)C(=O)O[C@H]1CC[C@@H]2CC3=C([C@@H](O)[C@]2(C)[C@H]1C)[C@@H](C)C(=O)O3 ZINC000238772063 EF Annotated Mild C=C1[C@@H]2C[C@H](O)[C@@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O ZINC000238772250 EF Annotated Mild CC(=O)O[C@H]1[C@H](C)C[C@]23[C@H]4CCCN2CCC[C@@H]3[C@H]1C[C@H]4OC(C)=O ZINC000238772261 EF Annotated Anodyne C=C[C@]1(CO)CC[C@@H]2[C@](C)(C[C@@H](O)[C@@H]3[C@@](C)(CO)CCC[C@]32C)O1 ZINC000238772399 EF Annotated Mild C/C=C/c1occ([C@@H]2OC(=O)c3cc(OC)cc(OC)c32)c(=O)c1O ZINC000238772400 EF Annotated Anodyne C=C[C@]1(C)C=C2C(=O)C[C@@H]3C(C)(C)C(=O)C=C[C@]3(C)[C@@]2(O)C(=O)C1 ZINC000238772514 EF Annotated Mild C=C1C(=O)O[C@@H]2C(=O)/C(C)=C/CC/C(C)=C/CC[C@]3(C=O)O[C@H]3C[C@@H]12 ZINC000238772717 EF Annotated Mild C=C1C(=O)O[C@H]2C[C@@H]1CC1=C2[C@]2(C)[C@@H](O)CC[C@@](C)(C(=O)O)[C@H]2CC1 ZINC000238772734 EF Annotated Mild COC(=O)c1c(OC)cc2c(c1C)C(=O)c1c(OC)cccc1C2=O ZINC000238772806 EF Annotated Clean C=C1CC[C@H](C(C)C)[C@H]2[C@@H]3O[C@@H](C[C@](C)(O)[C@@H](O)CC[C@@]3(C)O)[C@@H]12 ZINC000238772852 EF Annotated Mild CC(C)(O)[C@H](O)CC[C@]1(C)C[C@@H]2[C@H]1CC[C@]1(C)C[C@@]2(O)CC[C@H]1O ZINC000238772949 EF Annotated Anodyne CC(=O)[C@@H]1COC[C@H]2[C@@H]3Cc4c(n(C)c5ccccc45)[C@H](C[C@@H]12)N3C ZINC000238772965 EF Annotated Anodyne C[C@@]12CCC[C@]3(C)[C@H]4CC[C@](C)(CCO)[C@H](O)C4=C[C@@H](OC1=O)[C@@H]23 ZINC000238773047 EF Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@H]23)[C@@]12CC[C@]1(C=COC1)O2 ZINC000238773086 EF Annotated Anodyne C=C1C[C@]23C[C@H]1[C@H](O)C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238773096 EF Annotated Mild COc1c(O)cc2c3c1-c1c(ccc(O)c1O)C[C@]3(C)N(C)CC2 ZINC000238773301 EF Annotated Clean CC[C@@H](C)C(=O)O[C@H]1CC(C)=C2C=C[C@](C)(O)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@H]12 ZINC000238773484 EF Annotated Anodyne C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2CN2CCC[C@@H]2C(=O)O)[C@H]2C(=C)CC[C@@H]12 ZINC000238773630 EF Annotated Mild CCc1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@H]2O ZINC000238773637 EF Annotated Clean CC(C)=CC(=O)OCC1=C2CC3=C(CO)[C@@H]4C[C@@H]4[C@@]3(C)C=C2OC1=O ZINC000238773673 EF Annotated Anodyne C=C(C)C(=O)OC[C@@H]1CCC/C(C)=C/[C@H](O)[C@@H]2C(=C)C(=O)O[C@@H]2C1 ZINC000238774062 EF Annotated Mild COc1cc2c3c4c1O[C@@]1(OC)C[C@@]4(CC[C@@H]1O)CC[C@H]3N(C)CC2 ZINC000238774089 EF Annotated Anodyne CC(C)[C@]1(O)C=C2C(=O)[C@H](O)[C@H]3[C@@](C)(C=O)CCC[C@]3(C)[C@H]2CC1 ZINC000238774098 EF Annotated Mild C[C@@H]1CC[C@@]23COC(=O)C2=C[C@@H](O)C[C@H]3[C@]1(C)CCC1=CC(=O)OC1 ZINC000238774128 EF Annotated Anodyne COc1cccc2c1C(=O)c1c(O)cc3c(c1C2=O)[C@@H](O)C[C@@H](C)C3 ZINC000238774154 EF Annotated Clean C=C1C(=O)O[C@H]2[C@H]1CCC(COC(=O)CC(C)C)=C1C[C@H](O)C(=C)[C@@H]12 ZINC000238774341 EF Annotated Mild CC[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@H]2C(=O)O ZINC000238774392 EF Annotated Anodyne CC(C)=CC(=O)O[C@@]1(C)C(=O)O[C@@H]2[C@@H]3C(C)=CC[C@H]3[C@@](C)(O)CC[C@@H]21 ZINC000238774473 EF Annotated Anodyne C=C1C[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238774764 EF Annotated Mild C/C=C(/C)C(=O)OCC(=O)c1cc2c(cc1O)OC(=C(C)C)C(=O)O2 ZINC000238775093 EF Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC=C2C[C@H]3OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C ZINC000238775370 EF Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@](C)(O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@H](C)[C@H]12 ZINC000238775389 EF Annotated Anodyne C=C[C@@]1(CO)CC[C@H]2[C@](C)(C[C@@H](O)[C@@H]3[C@@](C)(CO)CCC[C@]32C)O1 ZINC000238775512 EF Annotated Mild CC(=O)OCC1=C2[C@H](/C=C(/C)CCC=C=C(C)[C@@H]2OC(C)=O)OC1=O ZINC000238775576 EF Annotated Anodyne CC(C)C1=C[C@@]2(O)CC[C@@H]3C(C)(C)CCC[C@@]3(O)[C@H](O)C2=CC1=O ZINC000238775601 EF Annotated Mild COc1cc2c(c(OC)c1O)CCCN1CCC3=CC[C@H](OC)C[C@]321 ZINC000238775927 EF Annotated Anodyne COC(=O)C1=C[C@@]23CCCN4CC[C@H]([C@H]5c6ccccc6N[C@]15C2)[C@@H]43 ZINC000238776222 EF Annotated Anodyne C=C(C)C(=O)OC/C1=C\[C@H]2OC(=O)C(=C)[C@@H]2CC/C(C)=C/[C@@H](O)C1 ZINC000238776332 EF Annotated Mild C/C(=C/CCc1ccc2c(c1)C(=O)c1cc(O)c(O)cc1C2=O)CO ZINC000238776365 EF Annotated Clean C#C/C=C\C[C@@H]1O[C@@H]2C[C@@H](Br)[C@H](CC)O[C@H]1C[C@@H]2OO ZINC000238776402 EF Annotated Reactive C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1[C@@H]2[C@]2(C)O[C@@H]2[C@@H]1OC(=O)/C(C)=C/C ZINC000238776621 EF Annotated Mild C=C1C[C@]23C[C@H]1C(=O)C[C@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O[C@H]([C@@H]12)[C@@H]3O ZINC000238776628 EF Annotated Mild Cc1cc2c(cc1O)[C@H](C)[C@@H]1Oc3cc(C)c(O)cc3[C@]1(CO)O2 ZINC000238776690 EF Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](O)C3=C(C)C(=O)O[C@H]3C[C@@H]12 ZINC000238776747 EF Annotated Anodyne CC1(C)[C@@H](O)C(=O)C[C@]2(C)[C@H]3CC[C@](C)(C(=O)CO)CC3=CC[C@@H]12 ZINC000238776777 EF Annotated Anodyne CC1(C)C(=O)[C@H](O)C[C@@]2(C)[C@@H]1CC[C@@]1(CO)c3cocc3CC[C@@H]12 ZINC000238777558 EF Annotated Anodyne Cc1ccc(S(=O)(=O)O[C@@H]2CCCO[C@]23CCCCO3)cc1 ZINC000238777579 EF Annotated Mild C=C(CC[C@@H]1CCC2=C(C(=O)O[C@@H]2O)C1(C)C)C[C@H](O)/C=C(\C)C=O ZINC000238777642 EF Annotated Reactive C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)[C@H](O)C[C@H](OC(=O)CC(C)C)C(=C)[C@H]21 ZINC000238777702 EF Annotated Mild CC(C)=CC(=O)O[C@H]1CC=C2C[C@H]3OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C ZINC000238778150 EF Annotated Anodyne C=C1CC[C@H](O)[C@@]2(C)CC[C@@H]3[C@@H](OC(=O)[C@]3(C)OC(=O)/C(C)=C/C)[C@@H]12 ZINC000238778313 EF Annotated Mild C=C1[C@H]2O[C@H]2[C@@H](OC(=O)/C(C)=C/C)[C@]2(C)CC[C@@H]3[C@H](OC(=O)[C@@H]3C)[C@@H]12 ZINC000238778712 EF Annotated Mild CN1[C@@H]2C(=O)c3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000238778841 EF Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]3(COC(=O)/C(C)=C\C)[C@@H](CCC(C)=O)[C@@H]3C[C@H]12 ZINC000238779173 EF Annotated Mild C[C@H](CO)c1cc(O)c2c(c1O)C(=O)[C@H](O)[C@@H]1C(C)(C)CCC[C@]21C ZINC000238779175 EF Annotated Anodyne C=C[C@]1(C)CC[C@H]2C(=C[C@H]3OC(=O)[C@]4(C)[C@H]3[C@]23CC[C@]4(O)OC3)C1 ZINC000238779200 EF Annotated Mild COC(=O)[C@H](C)CCOc1cc(O)c(C(=O)c2ccccc2)c(O)c1 ZINC000238779254 EF Annotated Anodyne C=C1CC[C@@H]2[C@@H](CN3CCC[C@H]3C(=O)O)C(=O)O[C@@H]2[C@H]2C(=C)CC[C@@H]12 ZINC000238779271 EF Annotated Mild CC(C)C1=CC2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2O ZINC000238779294 EF Annotated Mild C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)/C(C)=C/C)[C@@H]1[C@H]2O ZINC000238779606 EF Annotated Mild C/C=C(/CO)[C@@H]1C[C@@H]2NCCc3c2n(c2ccccc32)[C@H]1C(=O)OC ZINC000238779658 EF Annotated Anodyne CC(C)[C@]12CC[C@]3(C)[C@H]4CC[C@@](C)(O)[C@@H]4C(=O)C[C@@](C)(O)[C@@H](O1)[C@H]23 ZINC000238779742 EF Annotated Anodyne COc1ccc2c(c1)O[C@](Cc1ccc(OC)c(OC)c1)(OC)C2=O ZINC000238779759 EF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@@H]2C(C)=C[C@@H]3OC(=O)[C@H](C)[C@H]3C[C@H]2[C@]1(C)O ZINC000238779823 EF Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@]1(C)[C@H](OC(=O)/C(C)=C/C)C=C[C@@]3(CO3)[C@@H]21 ZINC000238779893 EF Annotated Mild C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@@H]23)[C@@]12CC[C@]1(C=COC1)O2 ZINC000238779951 EF Annotated Anodyne COC(=O)[C@H]1C[C@@]23C=CCN4CC[C@]5(c6ccccc6N[C@]15CC2)[C@@H]43 ZINC000238780185 EF Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1[C@@H](OC(=O)[C@H](C)CC)[C@]1(O)C(C)=CCCC(=C)[C@@H]21 ZINC000238780398 EF Annotated Mild C/C=C1/CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@H]23)Nc1cc(O)ccc14 ZINC000238780568 EF Annotated Anodyne C=CC[C@H]1C=CC(=O)[C@@]2(O)O[C@H](c3ccc4c(c3)OCO4)[C@@H](C)[C@H]12 ZINC000238780608 EF Annotated Mild C=C1CCC=C(C)[C@]2(O)[C@@H]1[C@@H]1OC(=O)[C@H](C)[C@@H]1[C@H]2OC(=O)/C(C)=C\C ZINC000238781218 EF Annotated Mild C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@@H]2C(=O)O ZINC000238781411 EF Annotated Anodyne CC[C@]12C=CCN3CC[C@H]4c5ccc(OC)cc5N([C@@H](O)C1)[C@H]4[C@@H]32 ZINC000238781484 EF Annotated Anodyne CC(=O)OC1=C2[C@@H](OC(C)=O)CC(C)=C=CC/C(C)=C/C[C@H]2OC1=O ZINC000238781584 EF Annotated Anodyne C=C(C)[C@H](O)CC[C@H](C)[C@H]1CC[C@]2(C)[C@@H](O)CC=C(C=O)[C@]12C=O ZINC000238781621 EF Annotated Reactive COc1cc2c3[n+](ccc2cc1O)Cc1c(ccc(OC)c1OC)C3 ZINC000238781669 EF Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@]2(C)C3=C(COC3=O)[C@@H](O)C[C@H]2C1(C)C ZINC000238781988 EF Annotated Anodyne CC(C)CC(=O)OC(C)(C)[C@@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1O ZINC000238782042 EF Annotated Anodyne C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238782098 EF Annotated Mild CC(C)C1=CC(=O)C2=C(CC[C@H]3[C@]2(C)CC[C@H](O)[C@]3(C)CO)C1=O ZINC000238782144 EF Annotated Mild CC1=C2C=C3CC[C@@H]4C(C)(C)[C@H](O)[C@H](O)C[C@@]4(C)[C@@H]3C[C@H]2OC1=O ZINC000238782368 EF Annotated Anodyne O=C(O)Cn1cc2c3c(c(-c4ccccc4)ccc3c1=O)C(=O)C(O)=C2 ZINC000238782406 EF Annotated Mild C=C1CCC=C(C)[C@]2(O)[C@@H]1[C@@H]1OC(=O)[C@H](C)[C@@H]1[C@H]2OC(=O)[C@H](C)CC ZINC000238782412 EF Annotated Mild CC1(C)CCC[C@]2(C)[C@H]3Cc4occc4[C@@](C)(O)[C@H]3[C@@H](O)[C@H](O)[C@H]12 ZINC000238782417 EF Annotated Anodyne COC(=O)[C@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@]15[C@H]2C)[C@@H]43 ZINC000238782433 EF Annotated Anodyne CC(C)C[C@@H](O)C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000238782439 EF Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@]13C[C@@](C)([C@@H](CO)O1)[C@H](O)C[C@H]32 ZINC000238782494 EF Annotated Anodyne COc1ccc(C(=O)O[C@@H]2C=C(C)CC[C@]3(O)[C@@H](C)CC(=O)[C@@H]23)cc1 ZINC000238782692 EF Annotated Anodyne C[C@@H]1CC[C@@H]2C1=CN=C[C@@]21[C@H]2N=C[C@](C=O)([C@H]3CC[C@@H](C)[C@@H]23)[C@@H]1O ZINC000238782722 EF Annotated Mild Cc1ccc2c3c1C(=O)CCC(C)(C)[C@]3(O)C(=O)C(C(C)(C)O)=C2 ZINC000238783026 EF Annotated Mild C[C@H]1CC[C@]23[C@@H](CC[C@H]4O[C@]42CO[C@H]3O)[C@]1(C)CCC1=CC(=O)OC1 ZINC000238783108 EF Annotated Anodyne C=CC[C@@]12C=C(OC)[C@H](O)[C@@H](C1=O)[C@@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000238783481 EF Annotated Mild C[C@]12CC[C@@]34COC(=O)C3=CCC[C@@H]4[C@@]1(C)C[C@H](C1=CC(=O)OC1)O2 ZINC000238783673 EF Annotated Anodyne C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@H]1CC=C(C)[C@H]1C(=O)C=C[C@]12C ZINC000238783811 EF Annotated Mild C[C@@H]1C[C@@H]([C@H]2CCC[N+]2([O-])CCCC[C@@H]2C[C@@H](C)C(=O)O2)OC1=O ZINC000238783965 EF Annotated Bother COc1cc2c3c(c1O)-c1cc(O)ccc1C[C@H]3[N+](C)(C)CC2=O ZINC000238784110 EF Annotated Mild C[C@H]1C[C@H]2OC(=O)C3=CCC[C@@H]([C@]1(C)CCC1=CC(=O)O[C@H]1O)[C@]32C ZINC000238784426 EF Annotated Anodyne COc1ccc(C[C@@H]2COc3cc(O)c(OC)c(OC)c3C2=O)cc1 ZINC000238784666 EF Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(CO)C[C@@H](O)C[C@@]2(C)[C@@H]1CCC1=CC(=O)OC1 ZINC000238784745 EF Annotated Mild COC(=O)C[C@@H]1CC[C@H]2[C@@H]3CC(=O)C[C@@]3(C)CC[C@@H]2[C@]12COC(=O)C2 ZINC000238784780 EF Annotated Anodyne Cc1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cc(O)cc1C3=O ZINC000238784805 EF Annotated Clean C/C=C1\C[C@H]2C[C@]34N(CC[C@]3(c3ccccc3N4C)[C@@H]2C(=O)OC)C1 ZINC000238784892 EF Annotated Anodyne C[C@]12CCC[C@@]3(C)[C@H]1[C@@H](C=C1[C@H]4OC(=O)C[C@@]4(C)CC[C@@]13O)OC2=O ZINC000238784986 EF Annotated Anodyne C[C@]1(CCO)CC[C@@]2(O)C(=C[C@H]3OC(=O)[C@@]4(C)CCC[C@@]2(C)[C@H]34)C1 ZINC000238785070 EF Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@H]2O[C@]23Cc2occ(C)c2[C@@H](O)[C@]3(C)[C@H]1C ZINC000238785231 EF Annotated Mild C/C=C1/CN2COC[C@H]3[C@@H]2Cc2c([nH]c4ccc(O)cc24)C(=O)C[C@@H]13 ZINC000238785238 EF Annotated Anodyne C/C=C1\[C@@H]2CC[N+]3([O-])CC[C@@]4(C(=C2C(=O)OC)Nc2ccccc24)[C@@H]13 ZINC000238785445 EF Annotated Bother C=C(CC[C@@H]1C(=C)C[C@@H](O)[C@@H]2C(C)(C)C(=O)CC[C@]21C)[C@H](O)CO ZINC000238785790 EF Annotated Mild Cc1cc2c(cc1O)[C@@H](C)[C@H]1Oc3cc(C)c(O)cc3[C@@]1(CO)O2 ZINC000238786190 EF Annotated Anodyne COc1c2c(cc3oc(O)c(-c4ccccc4O)c(=O)c13)OCO2 ZINC000238786289 EF Annotated Anodyne C=C[C@]1(C)C(=O)C2=C([C@@H](O)[C@@H]1O)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2 ZINC000238786863 EF Annotated Mild Cc1cc(O)c(CO)c2c1C(=O)Oc1c(C)c(O)c(O)c(C)c1O2 ZINC000238786943 EF Annotated Clean COC(=O)c1c(SC)ccc2oc3cc(CO)cc(O)c3c(=O)c12 ZINC000238786991 EF Annotated Bother C=CCc1ccc(O)c(Oc2ccc([C@H](O)[C@@H](O)COC)cc2O)c1 ZINC000238787041 EF Annotated Mild CC/C=C/C[C@H](O)/C=C/[C@@H](O)[C@@H](O)CCCCCCCC(=O)OC ZINC000238787045 EF Annotated Anodyne C[C@H]1C[C@H]2OC(=O)C3=CCC[C@@H]([C@]1(C)CCC1=C[C@H](O)OC1=O)[C@]32C ZINC000238787084 EF Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(CC[C@H]3[C@]4(C)CCC[C@]23[C@H](O)OC4)C1=O ZINC000238787128 EF Annotated Mild C[C@@H]1OC[C@H]2[C@@H]3Cc4c([nH]c5ccccc45)[C@H](C[C@H]2[C@H]1CO)N3C ZINC000238787133 EF Annotated Anodyne CC(C)c1cc2c(c(O)c1O)[C@]13CO[C@H]2C[C@H]1C(C)(C)[C@@H](O)[C@H](O)C3 ZINC000238787134 EF Annotated Clean CC1=C(CCC2=C[C@@H](O)OC2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H](O)C1=O ZINC000238787258 EF Annotated Mild CC(C)[C@H]1C(=O)[C@@H](O)C2=C3OCC4=C3[C@@](C)(CC[C@@H]4O)CC[C@@]21C ZINC000238787326 EF Annotated Anodyne C=C1[C@H]2O[C@H]2[C@@H](OC(=O)/C(C)=C/C)[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12 ZINC000238787699 EF Annotated Mild COC1=C[C@@H]2CCN(C)[C@@H]3Cc4ccc(OC)c(O)c4C(=C1OC)[C@H]23 ZINC000238788227 EF Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2[C@H](OC(C)=O)C3=C(C)[C@@H](O)C[C@@]3([C@@H]1C)C2(C)C ZINC000238788730 EF Annotated Anodyne CC(=O)CC1=C(C)C(=O)[C@@](C)(CC=C(C)C)[C@]2(C1)C[C@@H](O)C(=O)O2 ZINC000238788817 EF Annotated Mild CC1(C)CC[C@@H](O)[C@@]2(C)C3=C(C(=O)C[C@H]12)[C@H]1OC[C@@H](O)[C@@]1(C)CC3 ZINC000238788871 EF Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H]1O[C@@]1(C)C/C=C\[C@](C)(O)CCC2=O ZINC000238789521 EF Annotated Mild C=C[C@H](CO)[C@@H](CCO)Cc1nccc2c1[nH]c1ccc(O)cc12 ZINC000238789545 EF Annotated Mild C[C@H]1OC=C2C(=O)N3CCc4c([nH]c5ccccc45)C3=C[C@H]2[C@@H]1C=O ZINC000238789580 EF Annotated Mild COc1cc2c(c3c1[nH]c1ccccc13)[C@@H](O)[C@@H](C(C)(C)O)OC2=O ZINC000238789646 EF Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13C=C(CO)[C@H](CC[C@@H]21)[C@H]3O ZINC000238789673 EF Annotated Anodyne CN1CCN(C)C2(CCN(Cc3ccc([C@H]4CCCO4)s3)CC2)C1 ZINC000247962296 EF Annotated Anodyne CSCCc1nc2nc(N(C)Cc3ccccc3)ccc2[nH]c1=O ZINC000002500134 EF Annotated Anodyne CCCN(CC1CC1)c1ccc2[nH]c(=O)c(CCSC)nc2n1 ZINC000002500174 EF Annotated Anodyne Cc1nc(Cl)c(C(=O)NC(=O)NCCC(C)C)c(C)c1[N+](=O)[O-] ZINC000002503598 EF Annotated Bother Cc1ccc([C@H]2c3c(nc(S)[nH]c3=O)N=C3CCCC(=O)[C@@H]32)cc1 ZINC000002602059 EF Annotated Anodyne Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(N(C)C)cc2)c1 ZINC000002631811 EF Annotated Mild Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)C1CC1 ZINC000002637079 EF Annotated Reactive COC(=O)c1ccc(/C=N/OCC(=O)Nc2cc(F)ccc2F)cc1 ZINC000002646712 EF Annotated Mild Cc1ccccc1OCCN1C(=O)N[C@@]2(CCc3ccccc32)C1=O ZINC000002653609 EF Annotated Anodyne Cc1ccccc1OCCN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000002653610 EF Annotated Anodyne CC(=O)Nc1ccc(/C=N/OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000002655319 EF Annotated Mild NC(=O)N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1 ZINC000002663790 EF Annotated Reactive CN1C(=O)[C@](O)(c2sc(N)nc2-c2ccccc2)c2ccccc21 ZINC000002664360 EF Annotated Anodyne CN1C(=O)[C@@](O)(c2sc(N)nc2-c2ccccc2)c2ccccc21 ZINC000002664361 EF Annotated Anodyne CCc1ccc(S(=O)(=O)c2nnn(-c3ccc(C)cc3)c2N)cc1 ZINC000002693169 EF Annotated Anodyne CCN1CCc2c(OCc3ccc(C(=O)OC)o3)cccc2C1=O ZINC000002716272 EF Annotated Anodyne CCCOc1ccc(NC(=O)[C@H]2CC(=O)N3CCCN=C3S2)cc1 ZINC000002728282 EF Annotated Anodyne aggregator CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N3CCCN=C3S2)cc1 ZINC000002728283 EF Annotated Anodyne aggregator CC(=O)N1C(=O)NC(c2ccccc2)=C([N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000002813039 EF Annotated Anodyne CC(=O)N1C(=O)NC(c2ccccc2)=C([N+](=O)[O-])[C@H]1c1ccccc1 ZINC000002813040 EF Annotated Anodyne COCC(=O)n1nc(-c2ccccc2)nc1NCc1ccc(F)cc1 ZINC000002855950 EF Annotated Anodyne O=c1c2ccccc2ncn1CCCOc1ccccc1[N+](=O)[O-] ZINC000002863007 EF Annotated Bother COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)nc1N ZINC000002869356 EF Annotated Anodyne Cc1cc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)nc(N)n1 ZINC000002896948 EF Annotated Mild Cc1nc(NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)sc1C ZINC000002927633 EF Annotated Anodyne Cc1cc(=O)nc2c3ccccc3n([C@@H](C)C(=O)NCCC(C)C)n12 ZINC000002947912 EF Annotated Anodyne Cc1cc(=O)nc2c3ccccc3n([C@H](C)C(=O)NCCC(C)C)n12 ZINC000002947914 EF Annotated Anodyne CNC(=O)CSCc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000002948342 EF Annotated Anodyne COC1=N[C@@H]2Nc3ccccc3N(C)[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000250376544 EF Annotated Anodyne COc1cccc([C@@H]2N(c3nccs3)C(=O)[C@@H]3CCCN32)c1OC ZINC000250398121 EF Annotated Anodyne COc1ccc(OC)c([C@@H]2N(c3nccs3)C(=O)[C@@H]3CCCN32)c1 ZINC000250398122 EF Annotated Anodyne COc1ccc(OC)c([C@@H]2N(c3ccccn3)C(=O)[C@@H]3CCCN32)c1 ZINC000250399921 EF Annotated Anodyne CCOc1ccccc1[C@@H]1N(c2cc(C)on2)C(=O)[C@@H]2CCCN21 ZINC000250518110 EF Annotated Anodyne CCOc1ccc([C@@H]2N(c3cc(C)on3)C(=O)[C@@H]3CCCN32)cc1 ZINC000250641879 EF Annotated Anodyne COc1ccc(OC)c([C@@H]2N(c3cc(C)on3)C(=O)[C@@H]3CCCN32)c1 ZINC000250963896 EF Annotated Anodyne COc1ccc([C@@H]2N(c3cc(C)on3)C(=O)[C@@H]3CCCN32)cc1OC ZINC000250964937 EF Annotated Anodyne C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1ccc2c(c1)OCCO2 ZINC000251583927 EF Annotated Anodyne COc1cccc2c1O[C@@]1(C)[C@H](C)[C@H]2NC(=S)N1C[C@H]1CCCO1 ZINC000253484441 EF Annotated Anodyne COc1cccc2c1O[C@@]1(C)[C@@H](C)[C@H]2NC(=S)N1C[C@H]1CCCO1 ZINC000253484442 EF Annotated Anodyne Cc1ccc(NN=C2CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)cc1C ZINC000253632963 EF Annotated Mild Cc1ccc(NN=C2CC[C@H](C)n3c2ncc(C(=O)O)c3=O)cc1C ZINC000253632966 EF Annotated Mild Cc1cccc(C)c1NN=C1CC[C@@H](C)n2c1ncc(C(=O)O)c2=O ZINC000253635112 EF Annotated Mild Cc1cccc(C)c1NN=C1CC[C@H](C)n2c1ncc(C(=O)O)c2=O ZINC000253635115 EF Annotated Mild O=C(O)CCCC(=O)O[C@]12CCCC[C@@H]1[C@H]1CCCC[C@@]1(O)OO2 ZINC000253635465 EF Annotated Reactive O=C(O)CCCC(=O)O[C@]12CCCC[C@@H]1[C@@H]1CCCC[C@]1(O)OO2 ZINC000253635466 EF Annotated Reactive C[C@@H]1CCC(N=Nc2ccccc2)=C2N(C)C=C(C(=O)O)C(=O)N21 ZINC000253636057 EF Annotated Clean C[C@H]1CCC(N=Nc2ccccc2)=C2N(C)C=C(C(=O)O)C(=O)N21 ZINC000253636060 EF Annotated Clean Cc1cccc(NN=C2CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)c1C ZINC000253636133 EF Annotated Mild Cc1cccc(NN=C2CC[C@H](C)n3c2ncc(C(=O)O)c3=O)c1C ZINC000253636134 EF Annotated Mild C[C@H](C(=O)NCCO)c1ccc2c(c1)SC[C@@H]1CCCC[C@H]1C2=O ZINC000253637549 EF Annotated Anodyne CCCCC(=O)n1c(OC)cc2c1=C(CN)[C@@H]1CCCC[C@@H](C)[C@H]1C=2 ZINC000253638779 EF Annotated Anodyne CCCCC(=O)n1c(OC)cc2c1=C(CN)[C@@H]1CCCC[C@H](C)[C@H]1C=2 ZINC000253638781 EF Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](O)[C@@H]1O[C@H]1CCCCO1 ZINC000253639415 EF Annotated Anodyne CC[C@H](C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1O ZINC000253641788 EF Annotated Anodyne CC[C@H](C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1O ZINC000253641790 EF Annotated Anodyne CCCCN(CC)C[C@H](C(C)=O)C1=C(O)O[C@@H]2C=CC=C[C@H]2C1=O ZINC000253648093 EF Annotated Mild CCCCN(CC)C[C@H](C(C)=O)C1=C(O)O[C@H]2C=CC=C[C@H]2C1=O ZINC000253648095 EF Annotated Mild CCCCN(CC)C[C@H](C(C)=O)C1=C(O)O[C@H]2C=CC=C[C@@H]2C1=O ZINC000253648097 EF Annotated Mild O=C1NC(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccn1 ZINC000253656698 EF Annotated Anodyne CCN(CC(F)(F)F)C1=C[C@@H]2NC(=O)C=C(C(F)(F)F)[C@H]2C=C1 ZINC000253659083 EF Annotated Anodyne CCN(CC(F)(F)F)C1=C[C@H]2NC(=O)C=C(C(F)(F)F)[C@H]2C=C1 ZINC000253659087 EF Annotated Anodyne CCO/C(O)=C1\CN2C[C@@H](CC[C@H]2COCc2ccccc2)C1=O ZINC000253665732 EF Annotated Mild CN1[C@H](C(=O)NCc2ccccc2)C[C@@H]2Cn3c(nc4ccccc43)[C@H]21 ZINC000253673232 EF Annotated Anodyne CN1[C@H](C(=O)NCc2ccccc2)C[C@H]2Cn3c(nc4ccccc43)[C@H]21 ZINC000253673239 EF Annotated Anodyne C[C@@H]1[C@H](O)C[C@]23COC(=O)C2=CCC[C@H]3[C@@]1(C)CCC1=CC(=O)OC1 ZINC000253679371 EF Annotated Anodyne C[C@@H]1[C@H](O)C[C@]23COC(=O)C2=CCC[C@H]3[C@]1(C)CCC1=CC(=O)OC1 ZINC000253679374 EF Annotated Anodyne CCc1nc2n(c(=O)c1C(=O)O)[C@H](C)CCC2=NNc1ccccc1 ZINC000253682286 EF Annotated Mild CCc1nc2n(c(=O)c1C(=O)O)[C@@H](C)CCC2=NNc1ccccc1 ZINC000253682290 EF Annotated Mild ClC[C@@H]1[C@@H]2CO[C@H]3[C@H]2C[C@H]1[C@@H]3n1cnc2c(Cl)ncnc21 ZINC000253683564 EF Annotated Reactive ClC[C@@H]1[C@@H]2CO[C@@H]3[C@H]2C[C@H]1[C@@H]3n1cnc2c(Cl)ncnc21 ZINC000253683570 EF Annotated Reactive ClC[C@@H]1[C@@H]2CO[C@H]3[C@H]2C[C@H]1[C@H]3n1cnc2c(Cl)ncnc21 ZINC000253683576 EF Annotated Reactive ClC[C@@H]1[C@@H]2CO[C@@H]3[C@H]2C[C@H]1[C@H]3n1cnc2c(Cl)ncnc21 ZINC000253683583 EF Annotated Reactive Cc1cc(C)cc(NN=C2CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)c1 ZINC000253684073 EF Annotated Mild Cc1cc(C)cc(NN=C2CC[C@H](C)n3c2ncc(C(=O)O)c3=O)c1 ZINC000253684076 EF Annotated Mild Oc1ccc(C=NN=C(Nc2ccccn2)c2ccccn2)c(O)c1 ZINC000253685573 EF Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@H](C)[C@@H]4C[C@]2(CO)[C@]13C(=O)O ZINC000253704875 EF Annotated Mild O=C(O)CCC[C@@H]1[C@H]2CCC[N@@+]3([O-])CCC[C@@H](CN1CC1CC1)[C@@H]23 ZINC000253733811 EF Annotated Bother O=C(O)CCC[C@@H]1[C@H]2CCC[N@+]3([O-])CCC[C@@H](CN1CC1CC1)[C@@H]23 ZINC000253733823 EF Annotated Bother Cc1ccc2c(c1)O[C@@H]1O[C@]3(CC[C@@]21O)c1ccc(C)cc1O[C@H]3O ZINC000253798677 EF Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2CCC[C@H]1c1cncnc1C2 ZINC000253862739 EF Annotated Anodyne CC(C)[C@@H](CCl)N(C)[C@@H]1[C@@H]2C=C(C#N)C=C[C@H]2OC(C)(C)[C@H]1O ZINC000253869759 EF Annotated Reactive CCCN1N=C(C(=O)N[C@H](C)c2ccccc2)[C@H]2CN(CC)CC[C@H]21 ZINC000253918440 EF Annotated Anodyne CCCN1N=C(C(=O)N[C@H](C)c2ccccc2)[C@@H]2CN(CC)CC[C@H]21 ZINC000253918444 EF Annotated Anodyne CCCN1N=C(C(=O)N[C@H](C)c2ccccc2)[C@H]2CN(CC)CC[C@@H]21 ZINC000253918447 EF Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](C#Cc2ccc(Cl)cc2)C=C[C@H]1OC(C)=O ZINC000253921253 EF Annotated Mild Cc1ccc(C(=O)NS(=O)(=O)c2ccc(N=NN(C)C)cc2)cc1 ZINC000253928437 EF Annotated Clean CN(C)c1cccc(O[C@@H]2C=C[C@@H](C#Cc3ccccc3)O[C@H]2CO)c1 ZINC000253928524 EF Annotated Mild CN(C)c1cccc(O[C@@H]2C=C[C@H](C#Cc3ccccc3)O[C@H]2CO)c1 ZINC000253928525 EF Annotated Mild CC(=O)OC[C@@H]1O[C@H](C#Cc2ccccc2Cl)C=C[C@H]1OC(C)=O ZINC000253951176 EF Annotated Mild Cn1c(O)c(N=NC(=O)CNC(=O)c2ccccc2)c2ccccc21 ZINC000253961065 EF Annotated Clean C=CCNC(=O)[C@@H]1C[C@@H]2Cn3c(nc4cc5ccccc5cc43)[C@H]2N1C ZINC000253961154 EF Annotated Mild C=CCNC(=O)[C@@H]1C[C@H]2Cn3c(nc4cc5ccccc5cc43)[C@H]2N1C ZINC000253961157 EF Annotated Mild Cc1c(C=NNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc2n1C ZINC000253966822 EF Annotated Reactive Cc1c(C=NNC(=O)[C@H]2COc3ccccc3O2)c2ccccc2n1C ZINC000253966826 EF Annotated Reactive CC(=O)N1CCC(C2=NNC(=O)[C@H]2N=Nc2ccc(Cl)cc2)CC1 ZINC000253978926 EF Annotated Clean CC(=O)N1CCC(C2=NNC(=O)[C@@H]2N=Nc2ccc(Cl)cc2)CC1 ZINC000253978932 EF Annotated Clean O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1C[C@H]1OCCc2ccccc21 ZINC000253981569 EF Annotated Anodyne CC1=NN(C(N)=S)C(=O)[C@@H]1N=Nc1cc(Cl)ccc1Cl ZINC000253981725 EF Annotated Clean CC1=NN(C(N)=S)C(=O)[C@H]1N=Nc1cc(Cl)ccc1Cl ZINC000253981727 EF Annotated Clean CC[C@@H]1Oc2ccccc2N(CC(=O)N[C@H]2CCCC[C@H]2C)C1=O ZINC000253983032 EF Annotated Anodyne COc1ccc(O[C@@H]2[C@@H](O)CO[C@H]2/C=C/C#Cc2ccccc2)cc1 ZINC000253986554 EF Annotated Mild C[C@]12C[C@@H]3O[S@](=O)O[C@@H]3C[C@H]3[C@@H]4[C@H]1[C@@H]4[C@H](OCc1ccccc1)[C@H]32 ZINC000253986565 EF Annotated Mild C[C@]12C[C@@H]3O[S@](=O)O[C@H]3C[C@H]3[C@@H]4[C@H]1[C@@H]4[C@@H](OCc1ccccc1)[C@H]32 ZINC000253986567 EF Annotated Mild C[C@]12C[C@@H]3O[S@](=O)O[C@H]3C[C@H]3[C@@H]4[C@H]1[C@@H]4[C@H](OCc1ccccc1)[C@H]32 ZINC000253986570 EF Annotated Mild C[C@]12C[C@@H]3O[S@](=O)O[C@@H]3C[C@H]3[C@@H]4[C@H]1[C@@H]4[C@@H](OCc1ccccc1)[C@H]32 ZINC000253986572 EF Annotated Mild COc1cccc([C@@H]2[C@H](C)CC[C@H]3C(=O)N(C)[C@@H](C(C)C)C(=O)N32)c1 ZINC000254003412 EF Annotated Anodyne O=C(Cn1nnc(-c2ccccc2)n1)N=Nc1c(O)[nH]c2ccccc12 ZINC000254005313 EF Annotated Clean O=C(CNC(=O)Cc1ccccc1)N=Nc1c(O)[nH]c2ccccc12 ZINC000254010576 EF Annotated Clean CC(=O)OC[C@@H]1O[C@H](C#CCC2CCCCC2)C=C[C@H]1OC(C)=O ZINC000254010688 EF Annotated Mild O=[N+]([O-])c1ccc(NN=Cc2cc(Br)ccc2O)nc1 ZINC000254014709 EF Annotated Mild CCOC(=O)Nc1ccc2c(c1)C(=NNC(N)=S)c1ccccc1-2 ZINC000254044997 EF Annotated Mild N[C@H](Cc1cc(F)ccc1F)[C@@H]1CC[C@@H](N2CCC[C@@H](O)C2)CC1 ZINC000254051336 EF Annotated Anodyne O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)O[C@@H]1[C@H]2CC[C@H]1[C@H]1O[C@H]1C2 ZINC000254076606 EF Annotated Bother O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)O[C@@H]1[C@H]2CC[C@H]1[C@H]1O[C@@H]1C2 ZINC000254076611 EF Annotated Bother O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)O[C@@H]1[C@H]2CC[C@H]1[C@@H]1O[C@@H]1C2 ZINC000254076615 EF Annotated Bother O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)O[C@@H]1[C@H]2CC[C@H]1[C@@H]1O[C@H]1C2 ZINC000254076617 EF Annotated Bother Cc1cc(O)nc(NN2[C@H](Cl)C(=O)[C@H]2c2cccc(Cl)c2)n1 ZINC000254080583 EF Annotated Reactive Cc1ccc(C(=O)OCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1N ZINC000254096496 EF Annotated Anodyne Cc1ccc(C(=O)OCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1N ZINC000254096498 EF Annotated Anodyne Cc1ccc(C(=O)OCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1N ZINC000254096500 EF Annotated Anodyne Cc1ccc(C(=O)OCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1N ZINC000254096502 EF Annotated Anodyne COc1cc(N=Nc2ccc(C)cc2S(N)(=O)=O)c(C)cc1N ZINC000254120973 EF Annotated Clean COC(=O)[C@@H]1[C@H]2C[C@H](C)[C@@H](c3ccccc32)N1C(=O)C(F)(F)F ZINC000254129493 EF Annotated Anodyne COC(=O)[C@@H]1[C@H]2C[C@@H](C)[C@@H](c3ccccc32)N1C(=O)C(F)(F)F ZINC000254129500 EF Annotated Anodyne COC(=O)[C@H]1[C@H]2C[C@H](C)[C@@H](c3ccccc32)N1C(=O)C(F)(F)F ZINC000254129504 EF Annotated Anodyne COC(=O)[C@H]1[C@H]2C[C@@H](C)[C@@H](c3ccccc32)N1C(=O)C(F)(F)F ZINC000254129509 EF Annotated Anodyne Cn1c(=NN=Cc2ccccc2OCCO)sc2ccccc21 ZINC000254129586 EF Annotated Mild C[C@H](Cc1ccccc1)N(C)Cc1nc([C@H]2CC[C@H]([N+](=O)[O-])O2)no1 ZINC000254144415 EF Annotated Bother C[C@H](Cc1ccccc1)N(C)Cc1nc([C@H]2CC[C@@H]([N+](=O)[O-])O2)no1 ZINC000254144418 EF Annotated Bother C=C1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C/C=C1/CCOC1=O ZINC000254193961 EF Annotated Mild C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@]2(C)[C@@H]1C/C=C1/CCOC1=O ZINC000254193963 EF Annotated Mild C=C1[C@H]2CC[C@@]3(CC[C@H]4[C@]5(C=[N+](CCO)C[C@]4(C)CCC5)[C@@H]3C2)[C@H]1O ZINC000254200594 EF Annotated Mild C=C1[C@H]2CC[C@@]3(CC[C@H]4[C@]5(C=[N+](CCO)C[C@]4(C)CCC5)[C@H]3C2)[C@@H]1O ZINC000254200596 EF Annotated Mild N#C[C@@H]1[C@@H]2CCC3(C[C@@H]2CCN1C(=O)c1ccccc1)OCCO3 ZINC000254209947 EF Annotated Mild N#C[C@@H]1[C@H]2CCC3(C[C@@H]2CCN1C(=O)c1ccccc1)OCCO3 ZINC000254209948 EF Annotated Mild CCOC(=O)Cn1c(=NC(=O)C(C)C)sc2c(C)cc(C)cc21 ZINC000254287802 EF Annotated Anodyne Cc1c(C=NN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c2ccccc2n1C ZINC000254288017 EF Annotated Mild aggregator Cc1c(C=NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c2ccccc2n1C ZINC000254288018 EF Annotated Mild aggregator COC(=O)Cn1c(=NC(=O)C(C)(C)C)sc2c(C)cc(C)cc21 ZINC000254382298 EF Annotated Anodyne Cc1ccc(C=Nn2c(S)nnc2-c2[nH]nc3c2CCC3)s1 ZINC000254387115 EF Annotated Mild COC(=O)c1cc(=O)n(-c2ccccc2)c(=Nc2ccccc2)s1 ZINC000254438426 EF Annotated Anodyne Cc1ccsc1C=Nn1c(S)nnc1-c1[nH]nc2c1CCC2 ZINC000254439629 EF Annotated Mild CCOC(=O)c1sc(=NC(=O)/C=C/c2ccccc2)n(C)c1C ZINC000254466895 EF Annotated Anodyne O=C(CNC(=O)c1ccc(Cl)cc1)NN=C/C=C/c1ccccc1 ZINC000254480222 EF Annotated Reactive aggregator COc1cc(C=NNC2=NC(=O)[C@H](c3ccccc3)S2)ccc1O ZINC000254480234 EF Annotated Mild aggregator COc1cc(C=NNC2=NC(=O)[C@@H](c3ccccc3)S2)ccc1O ZINC000254480236 EF Annotated Mild aggregator COC(=O)c1cc(=O)n(Cc2ccco2)c(=Nc2ccccc2)s1 ZINC000254531420 EF Annotated Anodyne O=C1c2cccc3cccc(c23)C(=O)N1N=Cc1ccc(O)cc1O ZINC000254567868 EF Annotated Mild aggregator COc1ccc(S(=O)(=O)ON=C2C=C(C(C)C)C(=O)C=C2C)cc1 ZINC000254571858 EF Annotated Mild CN(C)C=NC(=O)c1cn(-c2ccc(F)cc2)c(=O)c2ccccc12 ZINC000254612411 EF Annotated Mild COc1ccc(C(=O)N=c2sc3ccccc3n2C)cc1OC ZINC000254685731 EF Annotated Anodyne CCOC(=O)Cn1c(=NC(=O)C2CC2)sc2c(C)cc(C)cc21 ZINC000254757356 EF Annotated Anodyne CCC(=O)OCC(=O)N=c1sccn1Cc1ccccc1Cl ZINC000254762511 EF Annotated Anodyne COc1ccccc1N1C(=O)CSC1=NC(=O)c1ccccc1 ZINC000254799580 EF Annotated Mild CCOC(=O)c1sc(=NC(=O)c2ccc(C)c(C)c2)n(C)c1C ZINC000254808425 EF Annotated Anodyne COc1cc(N)ccc1N=Nc1ccc(N(CCO)CCO)cc1C ZINC000254814507 EF Annotated Clean O=[N+]([O-])c1ccc(C=Nn2c(-c3cccnc3)n[nH]c2=S)cc1 ZINC000254823552 EF Annotated Mild aggregator Cc1nc(N)sc1C(=O)NN=Cc1cccc(Br)c1 ZINC000254843023 EF Annotated Reactive CSc1ccc(C=Nn2c(S)nnc2-c2cc(C)[nH]n2)cc1 ZINC000254843746 EF Annotated Mild CCOC(=O)c1sc(=NC(=O)c2c(F)cccc2F)n(C)c1C ZINC000254850614 EF Annotated Anodyne O=c1c2c3c(sc2ncn1N=Cc1ccc([N+](=O)[O-])o1)CCCC3 ZINC000254852738 EF Annotated Mild aggregator CCOC(=O)c1sc(=NC(=O)/C=C/c2cccs2)n(C)c1C ZINC000254879367 EF Annotated Anodyne COc1cc(OC)cc(C(=O)N=c2sc3ccccc3n2C)c1 ZINC000254897625 EF Annotated Anodyne COC(=O)C1=CO[C@H](C)[C@@H]2C[n+]3ccc4c([nH]c5ccccc54)c3C[C@@H]12 ZINC000025691333 EF Annotated Anodyne CCNc1cccc(N2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)n1 ZINC000025971153 EF Annotated Anodyne COC(=O)c1cccc(OCCCOc2cc3c(cc2O)CCO3)c1 ZINC000025971758 EF Annotated Anodyne CCOC(=O)C1=C(O)C(=O)N(C2c3ccccc3-c3ccccc32)C1 ZINC000025972724 EF Annotated Anodyne COC(=O)c1ccccc1OCCCOc1cc2c(cc1O)CCO2 ZINC000025973645 EF Annotated Anodyne O=C(O)c1ccccc1OCCCOc1cc2c(cc1O)CCO2 ZINC000025975484 EF Annotated Anodyne O=C(c1c(F)c(F)c(F)c(F)c1F)c1ccc2n1CC[C@H]2C(=O)O ZINC000025993711 EF Annotated Anodyne O=C(c1c(F)c(F)c(F)c(F)c1F)c1ccc2n1CC[C@@H]2C(=O)O ZINC000025993719 EF Annotated Anodyne CC(C)C(=O)Nc1cccc(C(=O)c2ccc3n2CC[C@@H]3C(=O)O)c1 ZINC000025995695 EF Annotated Anodyne CC(C)C(=O)Nc1cccc(C(=O)c2ccc3n2CC[C@H]3C(=O)O)c1 ZINC000025995702 EF Annotated Anodyne c1cc(Sc2ccc3c(c2)OCCO3)ccc1NC1=NCCN1 ZINC000025999083 EF Annotated Anodyne C=C1C[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@H]4[C@H]5OCCN5[C@@H]1O[C@@H]3[C@@H](O)[C@H]42 ZINC000255221263 EF Annotated Mild COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CC[N@@+]2(C)[O-])cc1O ZINC000255221282 EF Annotated Bother C[C@@H]1OC[C@H]2[C@@H]3C=C4C(=Nc5ccccc54)[C@H](C[C@H]2[C@@H]1CO)[N@@+]3(C)[O-] ZINC000255260441 EF Annotated Bother C=C1[C@H]2CC[C@@]3(C[C@@H]4[C@H]5N(CC)C[C@]6(C)CCC[C@@]5([C@@H]3[C@H]2O)[C@H]46)[C@@H]1O ZINC000255261983 EF Annotated Mild COCCC(=O)NC[C@@H]1CC[C@@H]([C@@H](c2ccccn2)N(C)C)CC1 ZINC000257271138 EF Annotated Anodyne COCCC(=O)NC[C@@H]1CC[C@@H]([C@H](c2ccccn2)N(C)C)CC1 ZINC000257271139 EF Annotated Anodyne COc1ccccc1[C@@H]1Cn2c(C)cnc2CN1Cc1c[nH]nc1C ZINC000257322255 EF Annotated Anodyne COc1ccccc1[C@H]1Cn2c(C)cnc2CN1Cc1c[nH]nc1C ZINC000257322256 EF Annotated Anodyne Cc1noc(C)c1-c1cncc([C@@H]2CCCN2Cc2cn(C)cn2)n1 ZINC000257328296 EF Annotated Anodyne Cc1noc(C)c1-c1cncc([C@H]2CCCN2Cc2cn(C)cn2)n1 ZINC000257328297 EF Annotated Anodyne O=C(Cn1ccnc1)N1C[C@H]2[C@@H](Oc3ccccc3Cl)CC[C@H]2C1 ZINC000257341471 EF Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]1C[C@H](OC(=O)/C(C)=C/C)[C@@](C)(O)C1=CC=C(C)[C@H]12 ZINC000257448635 EF Annotated Mild C=C1C(=O)O[C@H]2[C@H]3C(C)=CC=C3[C@](C)(O)[C@@H](OC(=O)/C(C)=C/C)C[C@H]12 ZINC000257448636 EF Annotated Mild C=C1C(=O)O[C@H]2[C@H]3C(C)=CC=C3[C@@](C)(O)[C@@H](OC(=O)/C(C)=C/C)C[C@H]12 ZINC000257448637 EF Annotated Mild COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CC[N@+]2(C)[O-])cc1O ZINC000257455401 EF Annotated Bother C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000257467177 EF Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@@H]2[C@H]3C(=O)O ZINC000257467178 EF Annotated Mild C=C1COC(=O)[C@]12C[C@@]1(C)[C@H]([C@@H](OC(=O)/C(C)=C/C)CC[C@H]1C)[C@H]2O ZINC000257468445 EF Annotated Mild C=C1COC(=O)[C@]12C[C@@]1(C)[C@H]([C@@H](OC(=O)/C(C)=C/C)CC[C@H]1C)[C@@H]2O ZINC000257468446 EF Annotated Mild C=C1COC(=O)[C@]12C[C@]1(C)[C@H](C)CC[C@H](OC(=O)/C(C)=C/C)[C@H]1[C@H]2O ZINC000257468447 EF Annotated Mild C[C@]1(O)C[C@@]23C[C@H]1CC[C@]2(C)[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2C[C@H]3O ZINC000257473927 EF Annotated Anodyne C[C@]1(O)C[C@@]23C[C@H]1CC[C@]2(C)[C@@]12CCC[C@@](C)(C(=O)O1)[C@@H]2C[C@@H]3O ZINC000257473928 EF Annotated Anodyne C[C@]1(O)C[C@@]23C[C@H]1CC[C@]2(C)[C@@]12CCC[C@@](C)(C(=O)O1)[C@@H]2C[C@H]3O ZINC000257473929 EF Annotated Anodyne C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H](O)[C@H]3O ZINC000257488538 EF Annotated Mild C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H](O)[C@@H]3O ZINC000257488539 EF Annotated Mild C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H](O)[C@@H]3O ZINC000257488540 EF Annotated Mild C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H](O)[C@H]3O ZINC000257488541 EF Annotated Mild C=C[C@]1(C)C(=O)C=C2[C@@]3(CC[C@H]4C(C)(C)[C@@H](O)C(=O)C[C@@]24C)O[C@@H]13 ZINC000257508444 EF Annotated Mild C=C[C@]1(C)C(=O)C=C2[C@]3(CC[C@H]4C(C)(C)[C@@H](O)C(=O)C[C@@]24C)O[C@@H]13 ZINC000257508445 EF Annotated Mild C=C[C@]1(C)C(=O)C=C2[C@]3(CC[C@H]4C(C)(C)[C@@H](O)C(=O)C[C@@]24C)O[C@H]13 ZINC000257508446 EF Annotated Mild C=C[C@]1(C)C(=O)C=C2[C@]3(C)CC(=O)[C@H](O)C(C)(C)[C@@H]3CC[C@@]23O[C@H]13 ZINC000257508447 EF Annotated Mild CC1=C2C=C3CC[C@@H]4C(C)(C)[C@H](O)C(=O)C[C@]4(C)[C@@H]3C[C@H]2OC1=O ZINC000257516383 EF Annotated Anodyne CC1=C2C=C3CC[C@@H]4C(C)(C)[C@H](O)C(=O)C[C@]4(C)[C@H]3C[C@H]2OC1=O ZINC000257516384 EF Annotated Anodyne CC1=C2C=C3CC[C@@H]4C(C)(C)[C@H](O)C(=O)C[C@]4(C)[C@H]3C[C@@H]2OC1=O ZINC000257516385 EF Annotated Anodyne C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000257536361 EF Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O ZINC000257536362 EF Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000257536363 EF Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000257536364 EF Annotated Mild C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)C[C@H](O)C[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O ZINC000257540018 EF Annotated Mild C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)C[C@H](O)C[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000257540019 EF Annotated Mild C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)C[C@H](O)C[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000257540020 EF Annotated Mild C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C)C[C@H](O)C[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000257540021 EF Annotated Mild CC/C=C/C[C@@H]1[C@H](O)CC[C@@H]1CC(=O)N[C@H](C(=O)O)[C@H](C)CC ZINC000257542064 EF Annotated Anodyne CC/C=C/C[C@@H]1[C@H](O)CC[C@@H]1CC(=O)N[C@@H](C(=O)O)[C@H](C)CC ZINC000257542065 EF Annotated Anodyne COc1cc2c(c(O)c1OC)CCCN1CCC3=CC[C@H](OC)C[C@@]321 ZINC000257542472 EF Annotated Anodyne C=C[C@]1(C)CC[C@@H]2C(=C[C@@H]3OC(=O)[C@@]4(C)[C@H]3[C@@]23CC[C@@]4(O)OC3)C1 ZINC000257543959 EF Annotated Mild C=C[C@]1(C)CC[C@@H]2C(=C[C@@H]3OC(=O)[C@]4(C)[C@@H]3[C@@]23CC[C@@]4(O)OC3)C1 ZINC000257543960 EF Annotated Mild C=C[C@]1(C)CC[C@@H]2C(=C[C@@H]3OC(=O)[C@]4(C)[C@H]3[C@@]23CC[C@@]4(O)OC3)C1 ZINC000257543961 EF Annotated Mild C/C=C(\C)C(=O)O[C@@H]1C[C@](C)(O)c2coc(C)c2[C@@H]2OC(=O)[C@H](C)[C@H]12 ZINC000257558884 EF Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C[C@](C)(O)c2coc(C)c2[C@@H]2OC(=O)[C@H](C)[C@@H]12 ZINC000257558885 EF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@H](O)[C@H](C)[C@]21C ZINC000257564787 EF Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@H](O)[C@H](C)[C@]21C ZINC000257564788 EF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@H](O)[C@@H](C)[C@]21C ZINC000257564789 EF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@H](O)[C@H](C)[C@@]21C ZINC000257564790 EF Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@H](O)[C@@H](C)[C@@]21C ZINC000257564791 EF Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@H](O)[C@@H](C)[C@]21C ZINC000257564792 EF Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@H](O)[C@H](C)[C@@]21C ZINC000257564793 EF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CC[C@H](O)[C@@H](C)[C@@]21C ZINC000257564794 EF Annotated Anodyne COCCOc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1 ZINC000026001900 EF Annotated Anodyne CCN(CC)C[C@H](C(=O)Nc1cc(C)ccc1OC)N(CC)CC ZINC000026005760 EF Annotated Anodyne CCN(CC)C[C@@H](C(=O)Nc1cc(C)ccc1OC)N(CC)CC ZINC000026005766 EF Annotated Anodyne O[C@@H](c1ccccc1Cl)[C@@](O)(Cn1cncn1)c1ccccc1 ZINC000026006267 EF Annotated Anodyne O[C@H](c1ccccc1Cl)[C@@](O)(Cn1cncn1)c1ccccc1 ZINC000026006273 EF Annotated Anodyne O[C@H](c1ccccc1Cl)[C@](O)(Cn1cncn1)c1ccccc1 ZINC000026006281 EF Annotated Anodyne CN1CC(O)=C(C(=O)/C=C/C(Br)=C/c2ccccc2)C1=O ZINC000026007439 EF Annotated Mild CCOCCN(CCOCC)c1ccc(Nn2c(C)ccc2C)nn1 ZINC000026014976 EF Annotated Anodyne O=C1C(Cl)=C(Nc2ccc(CCO)cc2)C(=O)c2ncccc21 ZINC000026020106 EF Annotated Mild COCC[C@H](C(=O)Oc1c(OC)cccc1OC)N1CCCCC1 ZINC000026144855 EF Annotated Anodyne COCC[C@@H](C(=O)Oc1c(OC)cccc1OC)N1CCCCC1 ZINC000026144863 EF Annotated Anodyne Cc1cc2nc(NC(=O)c3csc(N=C(N)N)n3)sc2cc1C ZINC000026145597 EF Annotated Mild C=CCN1CCC2(CC1)OC(=O)c1ccccc1[C@H]2C(=O)OCC ZINC000026146602 EF Annotated Mild C=CCN1CCC2(CC1)OC(=O)c1ccccc1[C@@H]2C(=O)OCC ZINC000026146609 EF Annotated Mild Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCNC2 ZINC000026147188 EF Annotated Anodyne Cc1cc(C)c2nc(NC(=O)c3csc(N=C(N)N)n3)sc2c1 ZINC000026148170 EF Annotated Mild Cc1cc(NC(=O)[C@H]2C(=O)N3CCCc4cc(F)cc2c43)sn1 ZINC000026163807 EF Annotated Anodyne Ic1ccc(-n2nncc2-c2cccnc2)cc1 ZINC000026164239 EF Annotated Anodyne C=CCO/N=C(/C(=O)NCC1=NO[C@H](C(C)(C)C)C1)c1ccccc1 ZINC000026165676 EF Annotated Mild C=CCO/N=C(/C(=O)NCC1=NO[C@@H](C(C)(C)C)C1)c1ccccc1 ZINC000026165681 EF Annotated Mild Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCSCC1)C(C)(C)C2 ZINC000026166208 EF Annotated Clean Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCSCC1)C(C)(C)C2 ZINC000026166213 EF Annotated Clean CCOC(=O)CCCn1cc(C(=O)O)c(OCc2ccccc2)n1 ZINC000026179068 EF Annotated Anodyne Cc1c(C(=O)O[C@H](C)C(C)(C)C)c[nH]c1C(=O)Oc1ccncn1 ZINC000026248172 EF Annotated Anodyne Cc1c(C(=O)O[C@@H](C)C(C)(C)C)c[nH]c1C(=O)Oc1ccncn1 ZINC000026248179 EF Annotated Anodyne CN(C)CCCn1c(Cn2nnc3ccccc32)nc2ccccc21 ZINC000026258829 EF Annotated Anodyne CCn1c2cc(N3CCCC3)c(N)cc2c(=O)c2c(O)cc(O)cc21 ZINC000026259648 EF Annotated Bother CN(C)CCCn1c(Cn2nc3ccccc3n2)nc2ccccc21 ZINC000026268807 EF Annotated Anodyne C=C1C(=O)[C@@]23CC[C@@H]4[C@@]5(CCC[C@@]4(C)C(=O)O5)[C@@]2(C)CC[C@]1(O)C3 ZINC000026272742 EF Annotated Mild CCN(CC)CC[C@@H]1CN(C)C(=S)c2cc(Cl)cnc2O1 ZINC000026282002 EF Annotated Anodyne CCN(CC)CC[C@H]1CN(C)C(=S)c2cc(Cl)cnc2O1 ZINC000026282008 EF Annotated Anodyne CN1C[C@@H](CCN2CCCC2)Oc2ncc(Cl)cc2C1=S ZINC000026285323 EF Annotated Anodyne CN1C[C@H](CCN2CCCC2)Oc2ncc(Cl)cc2C1=S ZINC000026285330 EF Annotated Anodyne CCN(CC)CCS/C(=N\O)c1nc(Cc2ccccc2)no1 ZINC000026288191 EF Annotated Mild CN(C)CC[C@@H]1CN(C)C(=S)c2cc(Br)ccc2O1 ZINC000026289783 EF Annotated Anodyne CN(C)CC[C@H]1CN(C)C(=S)c2cc(Br)ccc2O1 ZINC000026289787 EF Annotated Anodyne CN(CC[C@@H]1CN(C)C(=S)c2cccnc2O1)Cc1ccccc1 ZINC000026289978 EF Annotated Anodyne CN(CC[C@H]1CN(C)C(=S)c2cccnc2O1)Cc1ccccc1 ZINC000026289982 EF Annotated Anodyne CN(C)CC[C@@H]1CN(Cc2ccccc2)C(=S)c2cccnc2O1 ZINC000026290172 EF Annotated Anodyne CN(C)CC[C@H]1CN(Cc2ccccc2)C(=S)c2cccnc2O1 ZINC000026290177 EF Annotated Anodyne Cc1nc2c(cc1Cl)C(=S)N(C)C[C@@H](CCN1CCC1)O2 ZINC000026290272 EF Annotated Anodyne Cc1nc2c(cc1Cl)C(=S)N(C)C[C@H](CCN1CCC1)O2 ZINC000026290280 EF Annotated Anodyne Cc1sc(/C(O)=N/c2nn[nH]n2)c(OC(C)C)c1OC(C)C ZINC000026291902 EF Annotated Mild Cc1nc2ccccn2c1[C@@H](C)SCCNc1nsnc1N ZINC000026292236 EF Annotated Anodyne Cc1nc2ccccn2c1[C@H](C)SCCNc1nsnc1N ZINC000026292241 EF Annotated Anodyne CCN(CC)C1=NS(=O)(=O)C(SC)=C1c1ccc(OC)cc1 ZINC000026293672 EF Annotated Anodyne CC(C)(C)OC(=O)Nc1cnn2c1n[n+]([O-])c1ccc(Cl)cc12 ZINC000026296736 EF Annotated Anodyne COC(=O)n1c2cc(C)ccc2c2oc(C(=O)N3CCOCC3)cc21 ZINC000026376642 EF Annotated Anodyne CC(=O)[C@@H](C[C@H]1C(=O)C2CCN1CC2)C(=O)c1ccc(Cl)cc1 ZINC000026377582 EF Annotated Anodyne CC(=O)[C@H](C[C@H]1C(=O)C2CCN1CC2)C(=O)c1ccc(Cl)cc1 ZINC000026377584 EF Annotated Anodyne CC(=O)[C@@H](C[C@@H]1C(=O)C2CCN1CC2)C(=O)c1ccc(Cl)cc1 ZINC000026377586 EF Annotated Anodyne CC(=O)[C@H](C[C@@H]1C(=O)C2CCN1CC2)C(=O)c1ccc(Cl)cc1 ZINC000026377587 EF Annotated Anodyne CCCc1noc(-c2ncn3c2CN(C)C(=O)c2c(F)cccc2-3)n1 ZINC000026379019 EF Annotated Anodyne O=C1C(NCCc2c[nH]c3ccccc23)=CC2=NCCc3c[nH]c1c32 ZINC000026379167 EF Annotated Mild O=C(CC[C@H]1C(=O)C2CCN1CC2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000026379540 EF Annotated Bother O=C(CC[C@@H]1C(=O)C2CCN1CC2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000026379543 EF Annotated Bother C=CCn1c(=O)c(C(=O)OCC)c(N2CCCC2)c2ccc(C)nc21 ZINC000026379872 EF Annotated Mild CCOC(=O)c1c(N2CCCC2)c2ccc(C)nc2n(CC)c1=O ZINC000026380443 EF Annotated Anodyne CCc1nc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)no1 ZINC000026380588 EF Annotated Anodyne O=C1CCCC(=O)C1=C(O)c1ccccc1I ZINC000026381471 EF Annotated Mild CC(C)c1nc(-c2ncn3c2CN(C)C(=O)c2c(F)cccc2-3)no1 ZINC000026382067 EF Annotated Anodyne CCCc1nc(-c2ncn3c2CN(C)C(=O)c2c(F)cccc2-3)no1 ZINC000026382422 EF Annotated Anodyne CCC1=Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2S1(=O)=O ZINC000026383405 EF Annotated Anodyne COC(=O)n1c2cc(F)ccc2c2oc(C(=O)N3CCOCC3)cc21 ZINC000026385280 EF Annotated Anodyne CCc1noc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)n1 ZINC000026388262 EF Annotated Anodyne CC1=C(C)S(=O)(=O)c2c1cc(OCC(=O)O)c(Cl)c2Cl ZINC000026388268 EF Annotated Anodyne CC(C)c1noc(-c2ncn3c2CN(C)C(=O)c2c(F)cccc2-3)n1 ZINC000026390218 EF Annotated Anodyne COc1ccc([C@@H]2NCCN[C@@H]2c2ccc(OC)cc2F)c(F)c1 ZINC000026390468 EF Annotated Anodyne CNC(=O)C(C)(C)c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O ZINC000026393688 EF Annotated Anodyne CN(C)c1ccc([C@@H]2Nc3ccc(Cl)cc3S(=O)(=O)N2)cc1 ZINC000026398916 EF Annotated Clean CN(C)c1ccc([C@H]2Nc3ccc(Cl)cc3S(=O)(=O)N2)cc1 ZINC000026398920 EF Annotated Clean COC(=O)c1cc(OC)c(OC)cc1/N=c1\ssnc1Cl ZINC000026399333 EF Annotated Anodyne CCCCOc1c(S(=O)(=O)c2ccccc2)cnc2[nH]ncc12 ZINC000026404868 EF Annotated Anodyne CC(C)(C)OC(=O)N1C2CCC(CC2)[C@@H]1C(=O)N1CCSC1 ZINC000026468049 EF Annotated Anodyne C1=C[C@H](OCCN2CCOCC2)Nc2ccc(-c3cccnc3)cc21 ZINC000026483602 EF Annotated Anodyne C1=C[C@@H](OCCN2CCOCC2)Nc2ccc(-c3cccnc3)cc21 ZINC000026483609 EF Annotated Anodyne CCOC(=O)c1cnc2c(Br)cnn2c1N(CC)CC ZINC000026485842 EF Annotated Anodyne CC(C)CCNCCCNCCCCNCCCNCCC(C)C ZINC000026487443 EF Annotated Anodyne N[C@H]1C(c2ccccc2)=CC(c2ccccc2)=NN1CCCC(=O)O ZINC000026497465 EF Annotated Anodyne N[C@@H]1C(c2ccccc2)=CC(c2ccccc2)=NN1CCCC(=O)O ZINC000026497469 EF Annotated Anodyne C[C@@H](O)c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 ZINC000261073390 EF Annotated Anodyne C[C@H](O)c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 ZINC000261073392 EF Annotated Anodyne CN(C)C(=S)N=c1ssc(=S)n1Cc1cccnc1 ZINC000261076556 EF Annotated Anodyne CO[C@@H](C)CNC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1 ZINC000261084070 EF Annotated Anodyne CO[C@H](C)CNC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1 ZINC000261084071 EF Annotated Anodyne Cc1cccc(CNC(=O)Nc2cc3[nH]nc(C(F)F)c3cn2)n1 ZINC000261086497 EF Annotated Anodyne C[C@@H](CCO)CNCc1nc(N2Cc3ccccc3C2)ccc1F ZINC000261101118 EF Annotated Anodyne C[C@H](CCO)CNCc1nc(N2Cc3ccccc3C2)ccc1F ZINC000261101120 EF Annotated Anodyne C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)[C@H]3CCCO3)cc2)C1 ZINC000261109209 EF Annotated Anodyne C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)[C@H]3CCCO3)cc2)C1 ZINC000261109211 EF Annotated Anodyne C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)[C@@H]3CCCO3)cc2)C1 ZINC000261109213 EF Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(OC2CCCCC2)cc1F ZINC000261124270 EF Annotated Anodyne CC(=O)SC[C@@H](C)C(=O)N(CC(=O)O)[C@H]1CC[C@H]2C[C@H]1C2(C)C ZINC000261130017 EF Annotated Anodyne CC(=O)SC[C@H](C)C(=O)N(CC(=O)O)[C@H]1CC[C@H]2C[C@H]1C2(C)C ZINC000261130018 EF Annotated Anodyne CC(=O)SC[C@H](C)C(=O)N(CC(=O)O)[C@@H]1CC[C@H]2C[C@H]1C2(C)C ZINC000261130019 EF Annotated Anodyne CC(=O)SC[C@@H](C)C(=O)N(CC(=O)O)[C@@H]1CC[C@H]2C[C@H]1C2(C)C ZINC000261130021 EF Annotated Anodyne S=C1N[C@@H]2/C(=C/c3ccccc3)CNC[C@H]2[C@H](c2ccccc2)N1 ZINC000261140891 EF Annotated Anodyne S=C1N[C@@H]2/C(=C/c3ccccc3)CNC[C@@H]2[C@H](c2ccccc2)N1 ZINC000261140892 EF Annotated Anodyne COCc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 ZINC000261145019 EF Annotated Anodyne CC(C)(C)NCCCNS(=O)(=O)c1cccc(Br)c1 ZINC000261164463 EF Annotated Anodyne COCC[S@](=O)C[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 ZINC000261172668 EF Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCCC2)cc1F ZINC000261179363 EF Annotated Anodyne Nc1[nH]ncc1C(=O)NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1 ZINC000261179661 EF Annotated Anodyne CCOC(=O)c1cnc(-c2cc3ccc(O)c(C=O)c3oc2=O)s1 ZINC000261181991 EF Annotated Anodyne Cc1n[nH]c(C(=O)NN=Cc2ccccc2Cl)c1N=NN(C)C ZINC000261184793 EF Annotated Reactive Cc1cc(Oc2ncccc2O)ccc1-c1c(C)c(O)nc(=O)n1C ZINC000261188245 EF Annotated Anodyne NC(=O)[C@@H]1C[C@H](n2cnc(NC(=O)Cc3cccc4ccccc34)c2)C1 ZINC000261188886 EF Annotated Anodyne N[C@@]1(C(=O)O)C[C@H]2C[C@H]1c1cc(N(CCCl)CCCl)ccc12 ZINC000261189674 EF Annotated Reactive CN1CCN(C)C(=Nc2ccc(C#N)cc2C(=O)Nc2ccccc2)C1 ZINC000263590284 EF Annotated Mild O=S1(=O)C[C@@H]2c3ccc(F)cc3CN2CN1CCc1ccccc1 ZINC000263590525 EF Annotated Anodyne O=C(NCc1ccc(F)cc1)O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1C2=O ZINC000263590939 EF Annotated Anodyne O=C(NCc1ccc(F)cc1)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1C2=O ZINC000263590940 EF Annotated Anodyne COc1ccc(C(C)=NNS(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000263591145 EF Annotated Mild CC1=CC(=NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000263591493 EF Annotated Mild C[N@@+]1([O-])[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000263591791 EF Annotated Bother C[N@+]1([O-])[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000263591792 EF Annotated Bother C=CCN1C(=O)[C@H](CC(=O)NCC)SC1=Nc1ccccc1CC ZINC000263591942 EF Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)NCC)SC1=Nc1ccccc1CC ZINC000263591943 EF Annotated Mild Cc1ccc(CN=c2c([N+](=O)[O-])nn(-c3cccc(C)c3)n2O)cc1 ZINC000263592000 EF Annotated Bother O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)n(O)c1=NCc1ccccc1 ZINC000263592013 EF Annotated Bother CN=c1scc(-c2ccc(F)cc2)n1N/C=C1/C=CC(=O)C(O)=C1 ZINC000263592068 EF Annotated Mild CN1C(=O)C[C@H](C(=O)O)SC1=Nc1cc(Cl)c(O)c(Cl)c1 ZINC000263592110 EF Annotated Mild CN1C(=O)C[C@@H](C(=O)O)SC1=Nc1cc(Cl)c(O)c(Cl)c1 ZINC000263592111 EF Annotated Mild CN=c1scc(-c2cccs2)n1N/C=C1\C=CC(=O)C(O)=C1O ZINC000263592209 EF Annotated Mild CCNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CC)C1=O ZINC000263592213 EF Annotated Mild CCNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CC)C1=O ZINC000263592214 EF Annotated Mild Cc1ccc(N=c2c([N+](=O)[O-])nn(-c3ccccc3)n2O)c(C)c1 ZINC000263592272 EF Annotated Bother CCc1ccc(N=c2c([N+](=O)[O-])nn(-c3ccccc3)n2O)cc1 ZINC000263592278 EF Annotated Bother C=CCn1c(CC(=O)OC)csc1=Nc1ccc(C(C)=O)cc1 ZINC000263592324 EF Annotated Mild CCNC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2C)N(C)C1=O ZINC000263592349 EF Annotated Mild CCNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N(C)C1=O ZINC000263592350 EF Annotated Mild CC1=NN(C(=O)c2ccncc2)C(=O)[C@@H]1N=Nc1ccc(F)cc1 ZINC000263597134 EF Annotated Anodyne Cc1cc(O)nc(NN2[C@H](Cl)C(=O)[C@H]2c2ccc(Cl)cc2)n1 ZINC000263608870 EF Annotated Reactive N#C[C@@H](C(=O)O)[C@H](c1c(Cl)cccc1Cl)[C@H](C#N)C(=O)O ZINC000263612871 EF Annotated Mild CCCC[N@@+]1(C)O[I@@](=O)(O)c2ccccc21 ZINC000263614721 EF Annotated Bother in-vitro CCCC[N@+]1(C)O[I@@](=O)(O)c2ccccc21 ZINC000263614722 EF Annotated Bother in-vitro N[C@@H](Cc1cc(Cl)c(Cl)c(-c2cncc(O)c2)c1)C(=O)O ZINC000263620590 EF Annotated Anodyne C[S@@](=O)c1cc(-c2cccc(OC(F)(F)F)c2)nc(O)c1C#N ZINC000263620692 EF Annotated Mild C[C@@H](Oc1cc(-c2cnn(C)c2)cc2nscc12)[C@H]1CNC(=O)O1 ZINC000263620750 EF Annotated Anodyne C/C(=C\c1ccccc1F)C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000263620752 EF Annotated Anodyne Cc1cncn1-c1nccc(CCNCCCc2cccc(F)c2)n1 ZINC000263621227 EF Annotated Anodyne CC1=C[C@]2(O)C(=O)[C@H](C)C[C@@H]3[C@H](CC[C@@](C)(O)C=C2C1=O)C3(C)C ZINC000263636312 EF Annotated Mild CC1=C[C@]2(O)C(=O)[C@H](C)C[C@@H]3[C@H](CC[C@](C)(O)C=C2C1=O)C3(C)C ZINC000263636313 EF Annotated Mild CC1=C[C@]2(O)C(=O)[C@H](C)C[C@@H]3[C@@H](CC[C@](C)(O)C=C2C1=O)C3(C)C ZINC000263636314 EF Annotated Mild CC1=C[C@]2(O)C(=O)[C@H](C)C[C@@H]3[C@@H](CC[C@@](C)(O)C=C2C1=O)C3(C)C ZINC000263636315 EF Annotated Mild N[C@@H](CO)[C@H](O)c1ccc(C#CCCCCc2ccccc2)s1 ZINC000026505905 EF Annotated Mild N[C@@H](CO)[C@H](O)c1cccc(C#CCCCCCc2ccccc2)n1 ZINC000026507918 EF Annotated Mild O=C1NC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000026575557 EF Annotated Anodyne O=C1NC[C@H](c2ccccc2)N1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000026575558 EF Annotated Anodyne Cc1ccc([C@@H]2CNC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000026575610 EF Annotated Anodyne Cc1ccc([C@H]2CNC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000026575611 EF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(SC(F)(F)F)cc2)C(=O)O1 ZINC000026576758 EF Annotated Anodyne O=C1CN(/N=C/c2ncc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1 ZINC000026577706 EF Annotated Mild O=C1C=CC2(Oc3cccc4cccc(c34)O2)[C@@]23O[C@@]12CCCC3=O ZINC000026578584 EF Annotated Mild O=C1C=CC2(Oc3cccc4cccc(c34)O2)[C@]23O[C@]12CCCC3=O ZINC000026578585 EF Annotated Mild O=C1CCCC2=C1C1(Oc3cccc4cccc(c34)O1)[C@@H]1O[C@@H]1C2=O ZINC000026579210 EF Annotated Mild O=C1CCCC2=C1C1(Oc3cccc4cccc(c34)O1)[C@H]1O[C@H]1C2=O ZINC000026579211 EF Annotated Mild c1ccc2c(c1)[C@@H]1CC(c3cc[nH]n3)(c3cc[nH]n3)[C@H]2c2cccc[n+]21 ZINC000026637097 EF Annotated Anodyne COC1=CC(=O)c2c(c(Cc3cc(F)ccc3O)c(C)n2C)C1=O ZINC000026645377 EF Annotated Mild COC1=CC(=O)c2c(c(Cc3ccc(O)c(F)c3)c(C)n2C)C1=O ZINC000026648190 EF Annotated Mild c1ccc2c(c1)[C@H]1CC(c3ncc[nH]3)(c3ncc[nH]3)[C@@H]2c2cccc[n+]21 ZINC000026649275 EF Annotated Anodyne c1ccc2c(c1)[C@@H]1CC(c3ncc[nH]3)(c3ncc[nH]3)[C@H]2c2cccc[n+]21 ZINC000026649280 EF Annotated Anodyne CCOC(=S)Sc1c2c(n(C)c1C)C(=O)C=C(OC)C2=O ZINC000026650819 EF Annotated Mild CCOC(=O)C(=O)N(c1ccccc1)c1nccc(-c2ccncc2)n1 ZINC000026652826 EF Annotated Anodyne CCCCOC(=O)c1nc(O)c2cc3cc(O)c(OC)cc3nc2n1 ZINC000026653638 EF Annotated Bother COC1=CC(=O)c2c(c(COc3ccc(F)cc3)c(C)n2C)C1=O ZINC000026655712 EF Annotated Mild COC1=CC(=O)c2c(c(COCc3ccccc3)c(C)n2C)C1=O ZINC000026657637 EF Annotated Mild COC1=CC(=O)c2c(c(COC(=O)c3ccccc3)c(C)n2C)C1=O ZINC000026657651 EF Annotated Mild CC1(C)Oc2ccc(C(=N)S)cc2C(Oc2ccc(O)nn2)=C1O ZINC000026658319 EF Annotated Anodyne CC1(C)Oc2ccc([N+](=O)[O-])cc2C(Oc2ccc(O)nn2)=C1O ZINC000026660338 EF Annotated Bother CCCN1CC(=O)N(CCC)c2ncn(Cc3ccccc3)c2C1=O ZINC000026665678 EF Annotated Anodyne COc1cc2c(cc1OC)C(C(=O)c1ccccc1OC)=NCC2 ZINC000026669566 EF Annotated Anodyne CCN(CC)C(=O)Cn1c(=N)sc2cc(OC(F)(F)F)ccc21 ZINC000026721089 EF Annotated Anodyne CNC(=O)OCc1cc2c(c3c1CCC3)C(=O)c1ccccc1C2=O ZINC000026722097 EF Annotated Clean Cc1csc2nc(-c3ccc(Cl)cc3)c(/C=N/N=C(N)N)n12 ZINC000026723212 EF Annotated Mild Cc1sc2nc(-c3ccc(Cl)cc3)c(/C=N/N=C(N)N)n2c1C ZINC000026725391 EF Annotated Mild Cc1cn2c(/C=N/N=C(N)N)c(-c3ccc(Cl)cc3)nc2s1 ZINC000026727339 EF Annotated Mild CCOCCn1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21 ZINC000026727612 EF Annotated Anodyne CN(C)CCOC(=O)Cc1cccc2c(=O)c3ccccc3oc12 ZINC000026729279 EF Annotated Bother O=[N+]([O-])c1ccc2c(c1)C(c1cccc[n+]1[O-])=CC(CF)(CF)O2 ZINC000026730986 EF Annotated Bother O=C(O)CCCSC1=CC(=O)c2c(Cl)ccc(O)c2C1=O ZINC000026738930 EF Annotated Mild COc1ccc2cc1Oc1ccc(cc1)C[C@H](O)COC(=O)CC2 ZINC000026739825 EF Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@@H](O)COC(=O)CC2 ZINC000026739830 EF Annotated Anodyne O=c1ccccn1C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21 ZINC000026741746 EF Annotated Bother N=C(N)c1ccc(Cn2ccc3cc(C(=N)N)ccc32)c(Cl)c1 ZINC000026744718 EF Annotated Anodyne O=C(CCN1CCN2Cc3ccccc3C[C@@H]2C1)Nc1ccccc1 ZINC000026749503 EF Annotated Anodyne CCCCNC(=N)N/N=C/c1ccc(-c2cn3ccccc3[n+]2C)cc1 ZINC000026818179 EF Annotated Mild CCOP(=O)(OCC)[C@H](c1ccc(O)cc1)N1CCOCC1 ZINC000026818525 EF Annotated Anodyne CCOP(=O)(OCC)[C@@H](c1ccc(O)cc1)N1CCOCC1 ZINC000026818529 EF Annotated Anodyne Cc1ccc(F)cc1[C@@H]1C/C(=N\N=C(N)N)c2c(C)ccnc2C1 ZINC000026818963 EF Annotated Mild CCc1n(CCC(C(N)=O)(c2ccccc2)c2ccccc2)cc[n+]1C ZINC000026822273 EF Annotated Anodyne CCc1ccc(S(=O)(=O)/N=C(\O)Nc2ccc(Cl)cc2)[nH]1 ZINC000026823514 EF Annotated Mild CSC(=N)N/N=C/c1ccc(-c2cn3cc(C)ccc3[n+]2C)cc1 ZINC000026824380 EF Annotated Mild CC1(C)Oc2ccc(C(F)(F)F)cc2[C@@H](N2CCCC2=O)[C@@H]1O ZINC000026825518 EF Annotated Anodyne CC1(C)Oc2ccc(C(F)(F)F)cc2[C@H](N2CCCC2=O)[C@@H]1O ZINC000026825523 EF Annotated Anodyne CCOP(=O)(OCC)[C@H](c1ccc(O)cc1)N1CCN(C)CC1 ZINC000026826633 EF Annotated Anodyne CCOP(=O)(OCC)[C@@H](c1ccc(O)cc1)N1CCN(C)CC1 ZINC000026826637 EF Annotated Anodyne CC[n+]1ccn(CCC(C(N)=O)(c2ccccc2)c2ccccc2)c1C ZINC000026828043 EF Annotated Anodyne CCN(CC)C(=N)N/N=C/c1ccc(-c2cn3ccccc3[n+]2C)cc1 ZINC000026829142 EF Annotated Mild C/N=C(/N/N=C/c1ccc(-c2cn3ccccc3[n+]2C)cc1)SC ZINC000026829392 EF Annotated Mild CC(=S)NC[C@H]1CC(c2cc(F)c(-n3ccnc3)c(F)c2)=NO1 ZINC000026829647 EF Annotated Anodyne CC1(C)Oc2cc(C(F)(F)F)ccc2[C@@H](N2CCCC2=O)[C@@H]1O ZINC000026830448 EF Annotated Anodyne CN(C)CCN1C(=O)c2cccc3c2c(cc2c(O)cccc23)C1=O ZINC000026830627 EF Annotated Bother COc1ccc2c(c1)[C@H](NCCCN(C)C)c1cccnc1CO2 ZINC000026830983 EF Annotated Anodyne COc1ccc2c(c1)[C@@H](NCCCN(C)C)c1cccnc1CO2 ZINC000026830987 EF Annotated Anodyne CCCNC(=N)N/N=C/c1ccc(-c2cn3ccc(C)cc3[n+]2C)cc1 ZINC000026833356 EF Annotated Mild CN(C)CCN1C(=O)c2cccc3c2c(cc2c(N)cccc23)C1=O ZINC000026836857 EF Annotated Bother CCN(CC)CCN[C@H]1c2cc(O)ccc2OCc2ncccc21 ZINC000026840363 EF Annotated Anodyne CCN(CC)CCN[C@@H]1c2cc(O)ccc2OCc2ncccc21 ZINC000026840367 EF Annotated Anodyne COCCc1c(C)n(C(=O)N2CCC(c3ccccc3)CC2)oc1=O ZINC000026850327 EF Annotated Anodyne CS(=O)(=O)Nc1ccc([C@@H](O)CCCN2CCCCCC2)cc1 ZINC000026852220 EF Annotated Anodyne CS(=O)(=O)Nc1ccc([C@H](O)CCCN2CCCCCC2)cc1 ZINC000026852225 EF Annotated Anodyne CCOC(=O)C1=CN(C)C=C(C(=O)NCCc2ccccc2)C1(C)C ZINC000026852288 EF Annotated Anodyne CCOC(=O)Nc1cc2c(c(N)n1)N=C1Cc3ccccc3C[C@H]1N2 ZINC000026938993 EF Annotated Anodyne CCOC(=O)Nc1cc2c(c(N)n1)N=C1Cc3ccccc3C[C@@H]1N2 ZINC000026938999 EF Annotated Anodyne COC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)N(C)C ZINC000026944723 EF Annotated Anodyne COC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)N(C)C ZINC000026944732 EF Annotated Anodyne COC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)N(C)C ZINC000026944741 EF Annotated Anodyne COC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)N(C)C ZINC000026944749 EF Annotated Anodyne C#CCOC(=O)NCCOc1ccc(C[C@@H]2CCCC[C@H]2O)cc1 ZINC000026959060 EF Annotated Mild CN(C)C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)N(C)C ZINC000026968840 EF Annotated Anodyne CN(C)C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)N(C)C ZINC000026968848 EF Annotated Anodyne CN(C)C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)N(C)C ZINC000026968862 EF Annotated Anodyne CCOC(=S)SCc1c2c(n(C)c1C)C(=O)C=C(OC)C2=O ZINC000026971627 EF Annotated Mild Cc1ccc(/N=C2/C=C(O)c3noc(NCCN(C)C)c3C2=O)cc1 ZINC000026973292 EF Annotated Mild Oc1cc2c(cc1O)C[C@H](N[C@@H]1CCc3c(ccc(O)c3O)C1)CC2 ZINC000026975131 EF Annotated Clean Oc1cc2c(cc1O)C[C@@H](N[C@@H]1CCc3c(ccc(O)c3O)C1)CC2 ZINC000026975141 EF Annotated Clean Oc1cc2c(cc1O)C[C@H](N[C@H]1CCc3c(ccc(O)c3O)C1)CC2 ZINC000026975146 EF Annotated Clean Oc1cc2c(cc1O)C[C@@H](N[C@H]1CCc3c(ccc(O)c3O)C1)CC2 ZINC000026975154 EF Annotated Clean CC1(C)Nc2ccc(Br)cc2[C@@H](N2CCCC2=O)[C@@H]1O ZINC000026980537 EF Annotated Anodyne CC1(C)Nc2ccc(Br)cc2[C@H](N2CCCC2=O)[C@@H]1O ZINC000026980542 EF Annotated Anodyne CC1(C)Nc2ccc(Br)cc2[C@@H](N2CCCC2=O)[C@H]1O ZINC000026980548 EF Annotated Anodyne CC1(C)Nc2ccc(Br)cc2[C@H](N2CCCC2=O)[C@H]1O ZINC000026980555 EF Annotated Anodyne CN(C)CCNc1onc2c1C(=O)/C(=N\c1ccccc1)C=C2O ZINC000026983465 EF Annotated Mild CN(C)CCCNc1onc2c1C(=O)/C(=N\c1ccccc1)C=C2O ZINC000026987794 EF Annotated Mild CCOC(=O)c1c2c(n(-c3ccccc3)c1C)C(=O)C=C(OC)C2=O ZINC000026987864 EF Annotated Mild CN(C)CCN(C)c1onc2c1C(=O)/C(=N\c1ccccc1)C=C2O ZINC000026996292 EF Annotated Mild COc1ccc(/N=C2/C(=O)c3cncnc3C(O)=C2Cl)c(OC)c1 ZINC000027075677 EF Annotated Mild CN(C)CCC/N=C1\c2ccccc2CS(=O)(=O)c2ccccc21 ZINC000027086947 EF Annotated Mild CC(C)S(=O)(=O)n1cnc2ccc(/C(=N/O)c3ccccc3)cc21 ZINC000027094558 EF Annotated Mild CN1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1=O ZINC000027096497 EF Annotated Anodyne CN1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1=O ZINC000027096505 EF Annotated Anodyne O=CN1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000027101428 EF Annotated Anodyne O=CN1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000027101432 EF Annotated Anodyne O=c1[nH]c(S)nc2c(CCCCCOCc3ccccc3)ncn12 ZINC000027106211 EF Annotated Anodyne CNNCC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000027107141 EF Annotated Anodyne Cc1ccc(NC2=C(Br)C(=O)c3nc[nH]c3C2=O)cc1 ZINC000027107301 EF Annotated Mild O=C1C(Br)=C(Nc2ccc(F)cc2)C(=O)c2[nH]cnc21 ZINC000027107575 EF Annotated Mild COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCO)c2c1 ZINC000027109214 EF Annotated Bother N=C(N)c1ccc(-c2ccc(-c3cn4cc(C(=N)N)ccc4n3)o2)cc1 ZINC000027186049 EF Annotated Anodyne CCOC(=O)Nc1cc(NCCc2ccccc2)c([N+](=O)[O-])c(N)n1 ZINC000027187100 EF Annotated Bother N=C(N)c1ccc(-c2ccc(-c3cn4c(n3)CC[C@@H](C(=N)N)C4)o2)cc1 ZINC000027191861 EF Annotated Anodyne CCCCC(=O)n1c(OC)cc2c1=C(CN)[C@H]1CCCC[C@H](C)[C@H]1C=2 ZINC000027193593 EF Annotated Anodyne CCCCC(=O)n1c(OC)cc2c1=C(CN)[C@H]1CCCC[C@H](C)[C@@H]1C=2 ZINC000027193596 EF Annotated Anodyne CCCCC(=O)n1c(OC)cc2c1=C(CN)[C@H]1CCCC[C@@H](C)[C@H]1C=2 ZINC000027193600 EF Annotated Anodyne CCCCC(=O)n1c(OC)cc2c1=C(CN)[C@H]1CCCC[C@@H](C)[C@@H]1C=2 ZINC000027193603 EF Annotated Anodyne Cc1cccc2c1C(=O)C=C(c1ccc([N+](=O)[O-])cc1)S2(=O)=O ZINC000027194716 EF Annotated Mild Cc1cccc2c1S(=O)(=O)C(c1ccc([N+](=O)[O-])cc1)=CC2=O ZINC000027194720 EF Annotated Mild CC(C)(C)c1cc(-c2noc(N=C(N)N)n2)cc(C(C)(C)C)c1O ZINC000027199528 EF Annotated Mild CCNC(=S)NCCCCCn1nc(-c2ccccc2)ccc1=O ZINC000027208026 EF Annotated Anodyne CCC1=C(C)N[C@@H](OC)C(CCN2C(=O)c3ccccc3C2=O)=C1 ZINC000027210523 EF Annotated Anodyne CCC1=C(C)N[C@H](OC)C(CCN2C(=O)c3ccccc3C2=O)=C1 ZINC000027210526 EF Annotated Anodyne CNC(=S)NCCCCCCn1nc(-c2ccccc2)ccc1=O ZINC000027215228 EF Annotated Anodyne O=C(NNc1ccc(O)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12 ZINC000027301733 EF Annotated Reactive CC(C)NC(=N)N/C(N)=N\OCCCSc1ccc(Cl)cc1 ZINC000027305232 EF Annotated Mild Cc1cc(OCCCO/N=C(/N)NC(=N)NC(C)C)ccc1C(C)C ZINC000027306797 EF Annotated Mild CC(C)NC(=N)N/C(N)=N\OCCCOc1ccc(C(C)(C)C)cc1 ZINC000027308020 EF Annotated Mild CC[C@@H](C)C(=O)O[C@@H]1[C@@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000027313553 EF Annotated Anodyne CC[C@H](C)C(=O)O[C@@H]1[C@@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000027313558 EF Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1[C@@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000027313563 EF Annotated Anodyne CC[C@H](C)C(=O)O[C@H]1[C@@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000027313568 EF Annotated Anodyne COC(=O)Nc1nc2cc(C(=O)c3cc(CO)cs3)ccc2[nH]1 ZINC000027330446 EF Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@H](c1cccc(N)c(=O)c1)CC2 ZINC000027331070 EF Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@@H](c1cccc(N)c(=O)c1)CC2 ZINC000027331074 EF Annotated Anodyne CC(C)c1csc(CCc2ccn3c(=O)c(C(=O)O)cnc3c2)n1 ZINC000027410796 EF Annotated Anodyne CC(C)S(=O)(=O)Nc1cccc(/C(=N/O)c2ccc(CO)cc2)c1 ZINC000027418877 EF Annotated Mild Cc1cc(N2CCOCC2)n2nc(SCc3ccccc3)nc2n1 ZINC000027419186 EF Annotated Anodyne CC(C)c1csc(COc2ccn3c(=O)c(C(=O)O)cnc3c2)n1 ZINC000027421695 EF Annotated Anodyne O=C1/C(=C\c2ccc(N3CCOCC3)cc2)Oc2c1ccc(O)c2O ZINC000027426558 EF Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN=COCC4)[C@H]3C[C@@H]12 ZINC000027435159 EF Annotated Mild N=C(NN=Cc1ccc(-c2cn3ccccc3n2)cc1)N1CCCC1 ZINC000027435650 EF Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCCN(C)C)[C@H]3C[C@@H]12 ZINC000027436863 EF Annotated Mild O=C1C=CC(=NNc2ccc(S(=O)(=O)O)cc2)c2ccccc21 ZINC000271773257 EF Annotated Mild CC1(C)Oc2cc([N+](=O)[O-])sc2[C@@H](N2CCCCCC2=O)[C@@H]1O ZINC000027517823 EF Annotated Bother C=COC(=O)N1C(=O)[C@@H](C)[C@H]2[C@@H](C(=O)OCc3ccccc3)CC[C@@H]21 ZINC000027517943 EF Annotated Anodyne C=COC(=O)N1C(=O)[C@@H](C)[C@@H]2[C@@H]1CC[C@H]2C(=O)OCc1ccccc1 ZINC000027517944 EF Annotated Anodyne C=COC(=O)N1C(=O)C[C@@H]2[C@@H]1CC[C@H]2C(=O)OCc1ccccc1 ZINC000027518161 EF Annotated Anodyne C=COC(=O)N1C(=O)C[C@H]2[C@@H](C(=O)OCc3ccccc3)CC[C@@H]21 ZINC000027518162 EF Annotated Anodyne Cn1c(-c2nnc(N)s2)nc(Sc2ccccc2)c1[N+](=O)[O-] ZINC000027518391 EF Annotated Bother O=C1CC[C@]2(c3cccnc3)O[C@H](COc3ccc(Cl)cc3)CN12 ZINC000027521090 EF Annotated Anodyne O=C1CC[C@]2(c3ccncc3)O[C@H](COc3ccc(Cl)cc3)CN12 ZINC000027521092 EF Annotated Anodyne O=C1CC[C@]2(c3cccnc3)O[C@@H](COc3ccc(Cl)cc3)CN12 ZINC000027521711 EF Annotated Anodyne O=C1CC[C@]2(c3ccncc3)O[C@@H](COc3ccc(Cl)cc3)CN12 ZINC000027521714 EF Annotated Anodyne CCCOc1nc(C[C@@]2(c3ccccc3)CCCO2)cc(=O)n1C ZINC000027523419 EF Annotated Anodyne CCCOc1nc(C[C@]2(c3ccccc3)CCCO2)cc(=O)n1C ZINC000027523420 EF Annotated Anodyne C[C@@H]1Sc2c(C(=O)O)c(=O)c3cc(F)c(-n4ccnc4)cc3n21 ZINC000027524678 EF Annotated Anodyne C[C@H]1Sc2c(C(=O)O)c(=O)c3cc(F)c(-n4ccnc4)cc3n21 ZINC000027524679 EF Annotated Anodyne O=C(O)c1cn2c3c(cc(F)c(N4CCCC4)c3c1=O)SCC2 ZINC000027524886 EF Annotated Anodyne O=C(O)c1cn2c3c(c(N4CCCC4)c(F)cc3c1=O)SCC2 ZINC000027525591 EF Annotated Anodyne CCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccc(N)nc3)nc21 ZINC000027526504 EF Annotated Anodyne CN(C)CCn1[nH]c2c3cc(O)ccc3nc3c([N+](=O)[O-])ccc1c32 ZINC000027527007 EF Annotated Bother C[C@@H](c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc[n+]1[O-] ZINC000027527042 EF Annotated Anodyne C[C@H](c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc[n+]1[O-] ZINC000027527043 EF Annotated Anodyne CCOC(=O)Nc1cc2c(c(=O)[nH]1)N=C(c1ccccc1)[C@H](C)N2 ZINC000027548248 EF Annotated Anodyne CCOC(=O)/N=c1/cc(N)c2c([nH]1)N[C@H](C)C(c1ccccc1)=N2 ZINC000027548555 EF Annotated Anodyne Cc1c(N2CCSCC2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000027550273 EF Annotated Anodyne COC(=O)[C@@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1 ZINC000027555159 EF Annotated Anodyne COC(=O)[C@H](C)C1(O)CCN(CCc2ccccc2Cl)CC1 ZINC000027555161 EF Annotated Anodyne C#CCOc1ccc2c(=O)c3cccc(CC(=O)OC)c3oc2c1C ZINC000027555200 EF Annotated Mild Cc1coc(-c2ccc3c(c2)[C@H](N2CCCC2=O)[C@H](O)C(C)(C)O3)n1 ZINC000027555612 EF Annotated Anodyne Cc1coc(-c2ccc3c(c2)[C@@H](N2CCCC2=O)[C@H](O)C(C)(C)O3)n1 ZINC000027555614 EF Annotated Anodyne Cc1nnc2c([n+]1[O-])C(c1ccccc1)(c1ccccc1)OC2(C)C ZINC000027555634 EF Annotated Anodyne CC1(C)Oc2ccc(-c3ccncc3)cc2[C@@H](N2CCCC2=O)[C@@H]1O ZINC000027556686 EF Annotated Anodyne CC1(C)Oc2ccc(-c3ccncc3)cc2[C@H](N2CCCC2=O)[C@@H]1O ZINC000027556687 EF Annotated Anodyne CN(C)CCN1C(=O)c2c(N)ccc3cc4ccccc4c(c23)C1=O ZINC000027557955 EF Annotated Bother CC1(C)COc2c(NCCO)ccc(C(=O)c3ccccc3)c2N1 ZINC000027558064 EF Annotated Clean CCOC(=O)C(=O)c1c(O)c(O)nc2cc(Cl)cc(Cl)c12 ZINC000027558421 EF Annotated Anodyne CC(C)(C)[C@@H]1CO[C@@]2(O)C(O)=CC=C(C(=O)c3ccccc3)C2=N1 ZINC000027560447 EF Annotated Mild CC(C)(C)[C@H]1CO[C@@]2(O)C(O)=CC=C(C(=O)c3ccccc3)C2=N1 ZINC000027560449 EF Annotated Mild CC(C)(C)[C@@H]1CO[C@]2(O)C(O)=CC=C(C(=O)c3ccccc3)C2=N1 ZINC000027560451 EF Annotated Mild CC(C)(C)[C@H]1CO[C@]2(O)C(O)=CC=C(C(=O)c3ccccc3)C2=N1 ZINC000027560453 EF Annotated Mild C[C@@H](C(=O)NCCO)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O ZINC000027560640 EF Annotated Anodyne C[C@H](C(=O)NCCO)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O ZINC000027560642 EF Annotated Anodyne C[C@@H](C(=O)NCCO)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O ZINC000027560644 EF Annotated Anodyne C[C@H](C(=O)NCCO)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O ZINC000027560646 EF Annotated Anodyne CCCC(=O)CC(=O)N1CCS[C@@H]1COc1ccccc1OC ZINC000027564102 EF Annotated Anodyne CCCC(=O)CC(=O)N1CCS[C@H]1COc1ccccc1OC ZINC000027564105 EF Annotated Anodyne CCN(CC)[C@@H](C)CN1C(=O)C[C@@]2(CCCc3ccccc32)C1=O ZINC000027564655 EF Annotated Anodyne CCN(CC)[C@H](C)CN1C(=O)C[C@@]2(CCCc3ccccc32)C1=O ZINC000027564657 EF Annotated Anodyne CCN(CC)[C@@H](C)CN1C(=O)C[C@]2(CCCc3ccccc32)C1=O ZINC000027564659 EF Annotated Anodyne CCN(CC)[C@H](C)CN1C(=O)C[C@]2(CCCc3ccccc32)C1=O ZINC000027564661 EF Annotated Anodyne COC1=N[C@@H]2Nc3ccccc3N(C)[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000027570776 EF Annotated Bother NC(N)=Nc1nc(-c2c[nH]c3ccc(Br)cc23)cs1 ZINC000027630623 EF Annotated Mild N/C(=N/c1nc(-c2ccc(O)c(O)c2)cs1)NCc1ccccc1 ZINC000027635199 EF Annotated Mild CCO/N=c1\[nH]c2oc3ccc(C(C)C)cc3c(=O)c2cc1C(=O)O ZINC000027638706 EF Annotated Bother Oc1cccc2c1[C@@H](O)[C@H]1O[C@H]1C21Oc2cccc3cccc(c23)O1 ZINC000027648971 EF Annotated Anodyne NCc1ccc2c(=O)oc(=O)n(Cc3cccc4ccccc34)c2c1 ZINC000027651428 EF Annotated Anodyne C=C(C)COCn1c(Cc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O ZINC000027653187 EF Annotated Mild CCC(=O)O[C@H]1C=C[C@@]23CCN(C)Cc4ccc(OC)c(c42)O[C@H]3C1 ZINC000027654163 EF Annotated Anodyne Cc1nc2c(cc3c4c(cccc42)C(=O)N(CCN2CCCC2)C3=O)[nH]1 ZINC000027657085 EF Annotated Anodyne Cc1nc(C)c(CC[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)cc2)n1 ZINC000027657966 EF Annotated Anodyne Cc1nc(C)c(CC[C@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)cc2)n1 ZINC000027657968 EF Annotated Anodyne CCOCCOC(=O)/C(O)=N/c1nc(-c2cc(Cl)no2)cs1 ZINC000027706477 EF Annotated Mild COc1ccc(C#C/C(C)=C/CO/N=C2\CN3CC[C@@H]2C3)cc1OC ZINC000027711997 EF Annotated Mild COc1ccc(C#C/C(C)=C/CO/N=C2\CN3CC[C@H]2C3)cc1OC ZINC000027712002 EF Annotated Mild C[N+](C)(C)CCNC(=O)c1cc(O)c2c(Cl)cc(Cl)cc2n1 ZINC000027715065 EF Annotated Bother CCOC(=O)Nc1cc2nc[nH]c2c(N(C)/N=C/c2ccccc2)n1 ZINC000027722668 EF Annotated Mild COc1ccc(C#C/C(C)=C\CO/N=C2\CN3CC[C@@H]2C3)cc1OC ZINC000027723051 EF Annotated Mild COc1ccc(C#C/C(C)=C\CO/N=C2\CN3CC[C@H]2C3)cc1OC ZINC000027723058 EF Annotated Mild CC(=O)SC[C@H](C)C(=O)N(CC(=O)O)c1ccc2c(c1)CCC2 ZINC000027723767 EF Annotated Anodyne CC(=O)SC[C@@H](C)C(=O)N(CC(=O)O)c1ccc2c(c1)CCC2 ZINC000027723774 EF Annotated Anodyne NCCC(=O)Nc1ccccc1S[C@@H](CC(=O)O)c1cccnc1 ZINC000027726456 EF Annotated Anodyne NCCC(=O)Nc1ccccc1S[C@H](CC(=O)O)c1cccnc1 ZINC000027726460 EF Annotated Anodyne COc1ccc(C#C/C(C)=C\CO/N=C2/CN3CC[C@@H]2C3)cc1OC ZINC000027730539 EF Annotated Mild COc1ccc(C#C/C(C)=C\CO/N=C2/CN3CC[C@H]2C3)cc1OC ZINC000027730544 EF Annotated Mild Nc1ccc(Nc2ncnc3c2nnn3CCc2ccccc2)cc1 ZINC000027735366 EF Annotated Clean CCN(CC)CCN1CCc2c(c(=O)oc3ccc(OC)cc23)C1 ZINC000027740246 EF Annotated Anodyne Cc1ccc2c3c(c(=O)oc2c1)CN(C[C@H](C)N1CCCC1)CC3 ZINC000027743470 EF Annotated Anodyne Cc1ccc2c3c(c(=O)oc2c1)CN(C[C@@H](C)N1CCCC1)CC3 ZINC000027743480 EF Annotated Anodyne O=C(O)Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21 ZINC000027748473 EF Annotated Anodyne COC(=O)Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21 ZINC000027753914 EF Annotated Anodyne O=C1CN=C(c2ccccc2F)c2ccccc2N1C1CCNCC1 ZINC000027766657 EF Annotated Anodyne N/N=C(\S)N/N=C(/c1ccccn1)C12CC3CC(CC(C3)C1)C2 ZINC000027843916 EF Annotated Mild Cc1ccc(S(=O)(=O)OCC2=CC(=O)c3ccccc3C2=O)cc1 ZINC000027847363 EF Annotated Mild CC(=O)N1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc(O)c(O)cc12)OCO4 ZINC000027850308 EF Annotated Clean CC(=O)N1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc(O)c(O)cc12)OCO4 ZINC000027850316 EF Annotated Clean N[P@@](=O)(OCc1ccc([N+](=O)[O-])o1)N(CCCl)CCCl ZINC000027851428 EF Annotated Reactive CCCOc1cccc2c(=O)n3nc(C(=O)O)cc3n(CCC)c12 ZINC000027852698 EF Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1Cc3cc4c(cc3[C@H](C2)N1)OCO4 ZINC000027855118 EF Annotated Anodyne COc1cc2c(cc1OC)[C@H]1Cc3cc4c(cc3[C@@H](C2)N1)OCO4 ZINC000027855125 EF Annotated Anodyne N#CCCN1CC(=O)OC(c2ccc(OCc3ccccc3)cc2)=N1 ZINC000027856595 EF Annotated Mild O=c1ccc(-c2c(-c3ccccc3)nn3ccccc23)nn1CCCO ZINC000027861288 EF Annotated Anodyne N#Cc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N ZINC000027863062 EF Annotated Mild c1c2c(cc3c1OCCO3)[C@H]1Cc3cc4c(cc3[C@@H](C2)N1)OCCO4 ZINC000027867733 EF Annotated Anodyne c1c2c(cc3c1OCCO3)[C@@H]1Cc3cc4c(cc3[C@H](C2)N1)OCCO4 ZINC000027867738 EF Annotated Anodyne Cc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N ZINC000027869722 EF Annotated Anodyne OCc1ccnc(-c2nn(Cc3ccccc3F)c3ncccc23)n1 ZINC000027869744 EF Annotated Anodyne Cc1cc(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)n1 ZINC000027869755 EF Annotated Anodyne CCN(CC)CC(=O)N[C@H]1c2ccccc2OCc2ncccc21 ZINC000027880692 EF Annotated Anodyne CCN(CC)CC(=O)N[C@@H]1c2ccccc2OCc2ncccc21 ZINC000027880699 EF Annotated Anodyne COCCCc1cc2n(c1C(=O)c1ccccc1)CC[C@@H]2C(=O)O ZINC000027882692 EF Annotated Anodyne COCCCc1cc2n(c1C(=O)c1ccccc1)CC[C@H]2C(=O)O ZINC000027882698 EF Annotated Anodyne COCCc1cc2n(c1C(=O)c1ccc(F)cc1)CC[C@@H]2C(=O)O ZINC000027885192 EF Annotated Anodyne COCCc1cc2n(c1C(=O)c1ccc(F)cc1)CC[C@H]2C(=O)O ZINC000027885199 EF Annotated Anodyne C[C@@]12CCC[C@H]3[C@H](N)Cc4c(n(c5cc(O)c(O)cc45)C(=O)C1)[C@H]32 ZINC000027894466 EF Annotated Clean O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(O)c(O)c([N+](=O)[O-])c1 ZINC000027894576 EF Annotated Clean CCCc1cc(NCCN2CCOCC2)nnc1-c1ccccc1 ZINC000027898278 EF Annotated Anodyne CCCSC[C@@H](N)[C@H](O)C(=O)N(C)Cc1cccc2ccccc12 ZINC000027899004 EF Annotated Anodyne C[C@@H](Cc1ccc(O)c(O)c1)N[C@@H]1CCc2c(ccc(O)c2O)C1 ZINC000027903728 EF Annotated Clean C[C@H](Cc1ccc(O)c(O)c1)N[C@@H]1CCc2c(ccc(O)c2O)C1 ZINC000027903735 EF Annotated Clean C[C@@H](Cc1ccc(O)c(O)c1)N[C@H]1CCc2c(ccc(O)c2O)C1 ZINC000027903742 EF Annotated Clean C[C@H](Cc1ccc(O)c(O)c1)N[C@H]1CCc2c(ccc(O)c2O)C1 ZINC000027903748 EF Annotated Clean CCSCC[C@@H](N)[C@H](O)C(=O)N(C)Cc1cccc2ccccc12 ZINC000027980662 EF Annotated Anodyne Cc1c(OCc2nnn[nH]2)cc2c(c1Cl)C(=O)C1(CCCC1)C2=O ZINC000027986885 EF Annotated Clean N[C@H](CSCC1CCCCC1)[C@H](O)/C(O)=N/Oc1ccccc1 ZINC000027988352 EF Annotated Mild Cc1nc2c(S(=O)(=O)Cc3ccccc3)cccn2c1CC#N ZINC000027992933 EF Annotated Mild CC(=O)N1C[C@@H](C)c2cc3c(cc2C(c2ccc(N)cc2)=N1)OCO3 ZINC000028012757 EF Annotated Anodyne CC(=O)N1C[C@H](C)c2cc3c(cc2C(c2ccc(N)cc2)=N1)OCO3 ZINC000028012761 EF Annotated Anodyne CN1CCN(C(=O)N(C)[C@@H]2c3ccccc3Oc3ncccc32)CC1 ZINC000028013522 EF Annotated Anodyne CN1CCN(C(=O)N(C)[C@H]2c3ccccc3Oc3ncccc32)CC1 ZINC000028013527 EF Annotated Anodyne CN(C(=O)N1CCOCC1)[C@@H]1c2ccccc2Oc2ncccc21 ZINC000028013545 EF Annotated Anodyne CN(C(=O)N1CCOCC1)[C@H]1c2ccccc2Oc2ncccc21 ZINC000028013550 EF Annotated Anodyne CN(CC1=Nc2c(cc(N)[nH]c2=S)NC1)c1ccc(C(=O)O)cc1 ZINC000028014836 EF Annotated Anodyne CC(=O)Oc1ccc2c(c1)c1c(=O)oc(=O)[nH]c1n2C1CCCCC1 ZINC000028021946 EF Annotated Anodyne CS(=O)(=O)Nc1ccc2cc3ccc4c(c3nc2c1)COCN4 ZINC000028021997 EF Annotated Bother COc1cccc2c(OC(C)C)c(/C(O)=N/c3nn[nH]n3)sc12 ZINC000028086055 EF Annotated Mild CC(C)Oc1c(/C(O)=N/c2nn[nH]n2)sc2ccc([N+](=O)[O-])cc12 ZINC000028087101 EF Annotated Mild CC[C@H](C(=O)O[C@@H](C)c1ccccc1)[C@H](CO)Cc1cncn1C ZINC000028088279 EF Annotated Anodyne CC[C@H](C(=O)O[C@H](C)c1ccccc1)[C@H](CO)Cc1cncn1C ZINC000028088287 EF Annotated Anodyne CN(c1ccc2cc3ccc4c(c3nc2c1)COCN4)S(C)(=O)=O ZINC000028088350 EF Annotated Bother COc1cc2c(C)[nH]c(=O)c(NC(=O)NC(C)(C)C)c2cc1OC ZINC000028089847 EF Annotated Anodyne NC(=S)CCN1N=C(c2ccc(Cl)c(Cl)c2)CCC1=O ZINC000028090373 EF Annotated Anodyne Cc1cccc(C2=NCCN(CCCN(C)C)c3c2c(C)nn3C)c1 ZINC000028093238 EF Annotated Anodyne COc1ccc2c(OC(C)C)c(/C(O)=N/c3nn[nH]n3)sc2c1 ZINC000028093704 EF Annotated Mild CN(C)CCN1C(=O)c2cc(N)cc3cc4ccccc4c(c23)C1=O ZINC000028094459 EF Annotated Bother CC[C@H](C(=O)OCc1ccccc1C)[C@H](CO)Cc1cncn1C ZINC000028094896 EF Annotated Anodyne CN(C)CCCN(C)Cc1ccc2c(n1)N(C)c1ncccc1N2C ZINC000028095524 EF Annotated Anodyne CC(C)Cn1c(=O)n(C)c(=O)c2cc3[nH]c(C(C)(C)C)nc3cc21 ZINC000028095981 EF Annotated Anodyne CC(C)CCn1c(=O)c2cc3nc[nH]c3cc2n(CC(C)C)c1=O ZINC000028096525 EF Annotated Anodyne CO[C@@H]1C=CC[C@@H]2Oc3ccc(Br)cc3C(=O)[C@@]21C#N ZINC000028098016 EF Annotated Mild Cc1ccc(C2=NCCN(CCCN(C)C)c3c2c(C)nn3C)cc1 ZINC000028098200 EF Annotated Anodyne CC[C@H](C(=O)OCc1ccc(C)cc1)[C@H](CO)Cc1cncn1C ZINC000028098700 EF Annotated Anodyne CSc1c(F)cc2c(=O)c(C(=O)O)c3scc4n3c2c1OC4 ZINC000028099458 EF Annotated Anodyne NC(=S)CCn1nc(-c2ccc(Cl)c(Cl)c2)ccc1=O ZINC000028099863 EF Annotated Anodyne CN(C)CCCCNCc1ccc2c(n1)N(C)c1ncccc1N2C ZINC000028104370 EF Annotated Anodyne COCCCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(C)c1 ZINC000028106200 EF Annotated Anodyne C=CCNC(=O)Nc1c(O)nc(C)c2cc(OCC)c(OC)cc12 ZINC000028106367 EF Annotated Mild CC(C)CCn1c(=O)c2c3nc[nH]c3ccc2n(CC(C)C)c1=O ZINC000028109977 EF Annotated Anodyne N#Cc1cccc(NC(=O)Nc2ncnc3nn4ccccc4c23)c1 ZINC000028122931 EF Annotated Mild Cc1c(Sc2ccccc2)n(COCc2ccco2)c(=O)[nH]c1=O ZINC000028130546 EF Annotated Anodyne O=C(CS)NCCCCCCNC(=O)c1ccc2ccccc2n1 ZINC000028135827 EF Annotated Mild COc1ccc([C@@H]2C[C@@H](c3ccccc3O)NN2C(C)=O)cc1OC ZINC000028137012 EF Annotated Clean COc1ccc([C@H]2C[C@@H](c3ccccc3O)NN2C(C)=O)cc1OC ZINC000028137019 EF Annotated Clean COc1ccc([C@@H]2C[C@H](c3ccccc3O)NN2C(C)=O)cc1OC ZINC000028137025 EF Annotated Clean COc1ccc([C@H]2C[C@H](c3ccccc3O)NN2C(C)=O)cc1OC ZINC000028137031 EF Annotated Clean CSC1=C2N=CN=C2N(Cc2ccc(Cl)cc2)C2=NCCN21 ZINC000028220298 EF Annotated Anodyne C[C@@H]1N=C2N(Cc3ccc(Cl)cc3)c3nc[nH]c3C(=O)N2[C@H]1C ZINC000028220547 EF Annotated Anodyne C[C@H]1[C@@H](C)N=C2N(Cc3ccc(Cl)cc3)c3[nH]cnc3C(=O)N21 ZINC000028220552 EF Annotated Anodyne C[C@@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000028221132 EF Annotated Mild C[C@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000028221137 EF Annotated Mild O=C1c2[nH]cnc2N(Cc2ccc(Cl)c(Cl)c2)C2=NCCN12 ZINC000028222006 EF Annotated Anodyne CC(=O)N[C@@H]1c2cc3ccccc3nc2-c2nc3ccccc3c(=O)n21 ZINC000028222278 EF Annotated Anodyne CC(=O)N[C@H]1c2cc3ccccc3nc2-c2nc3ccccc3c(=O)n21 ZINC000028222281 EF Annotated Anodyne Cc1nc2c(n1C)C(=O)N1C[C@@H](C)N=C1N2Cc1ccc(Cl)cc1 ZINC000028222613 EF Annotated Anodyne Cc1nc2c(n1C)C(=O)N1C[C@H](C)N=C1N2Cc1ccc(Cl)cc1 ZINC000028222618 EF Annotated Anodyne Cc1nc2c([nH]1)N(Cc1ccc(Cl)cc1)C1=NC(C)(C)CN1C2=O ZINC000028223217 EF Annotated Anodyne Cc1nc2c([nH]1)C(=O)N1C[C@@H](C)N=C1N2Cc1ccc(Cl)cc1 ZINC000028223226 EF Annotated Anodyne Cc1nc2c([nH]1)C(=O)N1C[C@H](C)N=C1N2Cc1ccc(Cl)cc1 ZINC000028223231 EF Annotated Anodyne CSc1nc2c([nH]1)N(Cc1ccc(Cl)cc1)C1=NCCN1C2=O ZINC000028223526 EF Annotated Anodyne COc1ccc([C@H](C)/N=c2\c(O)c(O)\c2=N/c2ccc(C#N)cc2)cc1 ZINC000028224307 EF Annotated Mild CCC(C)(C)/N=c1\c(O)c(O)\c1=N/Cc1ccc(C#N)cc1Cl ZINC000028225343 EF Annotated Mild CCC(C)(C)/N=c1\c(O)c(O)\c1=N/Cc1c(C)cc(C#N)cc1Cl ZINC000028227370 EF Annotated Mild CCc1cc(C#N)ccc1C/N=c1\c(O)c(O)\c1=N/[C@H](C)C(C)(C)C ZINC000028227748 EF Annotated Mild C[C@@H](/N=c1\c(O)c(O)\c1=N/Cc1ccc(C#N)cc1Cl)C(C)(C)C ZINC000028228070 EF Annotated Mild C[C@H](/N=c1\c(O)c(O)\c1=N/Cc1ccc(C#N)cc1Cl)C(C)(C)C ZINC000028228073 EF Annotated Mild CCN(C1=NCCN1)c1c(Br)cccc1Br ZINC000028228262 EF Annotated Anodyne CCc1cc(C#N)ccc1C/N=c1\c(O)c(O)\c1=N/C(C)(C)CC ZINC000028228270 EF Annotated Mild COc1nc2nc(C(=O)c3ccccc3)cn2c2c1CSCC2 ZINC000028228714 EF Annotated Anodyne CCC(C)(C)/N=c1\c(O)c(O)\c1=N/Cc1ccc(C#N)c(Cl)c1 ZINC000028229172 EF Annotated Mild C[C@@H](/N=c1\c(O)c(O)\c1=N/[C@H](C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000028230379 EF Annotated Mild C[C@H](/N=c1\c(O)c(O)\c1=N/[C@H](C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000028230382 EF Annotated Mild O=NN(CCCl)CCSSCCN(CCCl)N=O ZINC000028233345 EF Annotated Reactive FC(F)(F)c1cccc(-c2nccc3nc(NC[C@@H]4CO4)nn23)c1 ZINC000028235110 EF Annotated Anodyne FC(F)(F)c1cccc(-c2nccc3nc(NC[C@H]4CO4)nn23)c1 ZINC000028235114 EF Annotated Anodyne CC(=O)N(C)c1nc2ccnc(-c3cccc(C(F)(F)F)c3)n2n1 ZINC000028241702 EF Annotated Anodyne O=C(/C=C/c1ccccc1)n1nc(-c2nc3ccccc3o2)oc1=O ZINC000028249135 EF Annotated Anodyne COc1ccc([C@H](c2cc(C)ns2)N2CCN(C)CC2)cc1OC ZINC000028249920 EF Annotated Anodyne COc1ccc([C@@H](c2cc(C)ns2)N2CCN(C)CC2)cc1OC ZINC000028249927 EF Annotated Anodyne Cc1cc([C@H](c2cccc([N+](=O)[O-])c2)N2CCN(C)CC2)sn1 ZINC000028250974 EF Annotated Bother Cc1cc([C@@H](c2cccc([N+](=O)[O-])c2)N2CCN(C)CC2)sn1 ZINC000028250981 EF Annotated Bother CC1(C)Oc2nc3ccccc3c(O)c2C[C@@H]1SS(=O)(=O)O ZINC000028250988 EF Annotated Reactive CC1(C)Oc2nc3ccccc3c(O)c2C[C@H]1SS(=O)(=O)O ZINC000028250996 EF Annotated Reactive C[C@@H]1CC/C(=N\Nc2ccccc2)c2ncc(/C=C/C(=O)O)c(=O)n21 ZINC000028252720 EF Annotated Mild C[C@H]1CC/C(=N\Nc2ccccc2)c2ncc(/C=C/C(=O)O)c(=O)n21 ZINC000028252726 EF Annotated Mild CCOC(=O)C1=CNC2=C(/C=N/c3ccccc3)CC[C@@H](C)N2C1=O ZINC000028253369 EF Annotated Mild CCOC(=O)C1=CNC2=C(/C=N/c3ccccc3)CC[C@H](C)N2C1=O ZINC000028253374 EF Annotated Mild CCc1ccc([C@H](c2sncc2C)N2CCN(CCO)CC2)cc1 ZINC000028256122 EF Annotated Anodyne CCc1ccc([C@@H](c2sncc2C)N2CCN(CCO)CC2)cc1 ZINC000028256127 EF Annotated Anodyne COc1ccc([C@@H]2C[C@@H](c3ccc(O)cc3O)NN2C(C)=O)cc1 ZINC000028334950 EF Annotated Clean COc1ccc([C@H]2C[C@@H](c3ccc(O)cc3O)NN2C(C)=O)cc1 ZINC000028334957 EF Annotated Clean COc1ccc([C@@H]2C[C@H](c3ccc(O)cc3O)NN2C(C)=O)cc1 ZINC000028334963 EF Annotated Clean COc1ccc([C@H]2C[C@H](c3ccc(O)cc3O)NN2C(C)=O)cc1 ZINC000028334968 EF Annotated Clean CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc([C@@H](C)O)c1 ZINC000028340320 EF Annotated Anodyne CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc([C@H](C)O)c1 ZINC000028340328 EF Annotated Anodyne CC1=C(OCCCCCCN2CCN(C)CC2)[C@H](C)SC1=O ZINC000028340757 EF Annotated Mild CC1=C(OCCCCCCN2CCN(C)CC2)[C@@H](C)SC1=O ZINC000028340764 EF Annotated Mild COc1ccc(C(=O)[C@@H](C#N)n2c3c(sc2=N)CCCC3)cc1 ZINC000028345379 EF Annotated Mild COc1ccc(C(=O)[C@H](C#N)n2c3c(sc2=N)CCCC3)cc1 ZINC000028345385 EF Annotated Mild Nc1ccc2c(c1)C[C@@H]1CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccccc1 ZINC000028345429 EF Annotated Anodyne Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccccc1 ZINC000028345433 EF Annotated Anodyne CCOc1ccccc1-c1nc(O)c2nnc(C3CCCC3)n2n1 ZINC000028348355 EF Annotated Anodyne CSc1cc(-c2ccc(OCCN(C)C)cc2)oc(=O)c1C#N ZINC000028354302 EF Annotated Mild O=C(OCCCl)N(C(=O)OCCCl)c1onc2c1CCC2 ZINC000028358886 EF Annotated Reactive CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(C(C)=O)c1 ZINC000028360530 EF Annotated Anodyne CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(NC(C)=O)c1 ZINC000028361534 EF Annotated Anodyne COC1=CC(=O)c2c(OC)cc(C[C@@H]3CCOC(C)(C)O3)cc2C1=O ZINC000028369927 EF Annotated Mild Cn1nc(-c2ccc3c(N)ncnc3c2)s/c1=N\C1CCCCC1 ZINC000028374020 EF Annotated Anodyne N#Cc1cccc(C(=O)NCCCOc2cccc3ccc(N)nc23)c1 ZINC000028384025 EF Annotated Mild Cc1cc(C)nc(/N=C(\N)NCCc2ccc(Br)cc2)n1 ZINC000028384680 EF Annotated Mild Fc1cc(Cc2cccnc2)cc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028386069 EF Annotated Anodyne COc1ccc(N2CCN(c3nc4ncccc4cc3C#N)CC2)cc1 ZINC000028387681 EF Annotated Mild Cc1cc(C)nc(/N=C(\N)NCCc2ccc(C(F)(F)F)cc2)n1 ZINC000028391335 EF Annotated Mild COc1cc(N(C)C)cc(CNCCc2ccc([N+](=O)[O-])cc2)c1O ZINC000028394725 EF Annotated Clean CCN(CC)CCc1c(C)[nH]c(/C=C2\C(=O)NN=C2C2CC2)c1C ZINC000028395648 EF Annotated Clean Cc1cccc(Cl)c1/N=C1\N[C@H]2N=CN(C)[C@H]2n2c1cnc2C ZINC000028397292 EF Annotated Mild Cc1cccc(Cl)c1/N=C1\N[C@@H]2N=CN(C)[C@H]2n2c1cnc2C ZINC000028397298 EF Annotated Mild Cc1cccc(Cl)c1/N=C1\N[C@H]2N=CN(C)[C@@H]2n2c1cnc2C ZINC000028397302 EF Annotated Mild Cc1cccc(Cl)c1/N=C1\N[C@@H]2N=CN(C)[C@@H]2n2c1cnc2C ZINC000028397307 EF Annotated Mild Nc1ccncc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028397529 EF Annotated Anodyne COc1cc2c(cc1OC)S[C@H](C(=O)CCc1cc[n+](C)cc1)C2 ZINC000028398019 EF Annotated Anodyne COc1cc2c(cc1OC)S[C@@H](C(=O)CCc1cc[n+](C)cc1)C2 ZINC000028398024 EF Annotated Anodyne Nc1cccnc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028455554 EF Annotated Anodyne CC(=O)NCn1cc(-c2ccc(C3=CCSCC3)cc2)c(=O)o1 ZINC000028456899 EF Annotated Anodyne OC[C@H]1O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)C[C@@H]1O ZINC000028458431 EF Annotated Anodyne O=C(Cc1csc(NC(=O)Nc2cccc3ccccc23)n1)NO ZINC000028459615 EF Annotated Bother COCC[S@@](=O)C[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000028460045 EF Annotated Anodyne COCC[S@](=O)C[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000028460048 EF Annotated Anodyne Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C(=O)OC(C)(C)C ZINC000028460210 EF Annotated Bother CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(N(C)C)c1 ZINC000028460213 EF Annotated Anodyne CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(CCC#N)c1 ZINC000028460608 EF Annotated Mild CCOC(=O)c1cnc2c(c(C)nn2C)c1Nc1ccc(O)cc1 ZINC000028460628 EF Annotated Anodyne CC(=O)NCn1cc(-c2ccc(-c3sccc3C=O)cc2)c(=O)o1 ZINC000028462994 EF Annotated Anodyne Cc1nc2cc3c4c(cccc4c2s1)C(=O)N(CCN(C)C)C3=O ZINC000028471087 EF Annotated Anodyne CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)NO)C1 ZINC000028473756 EF Annotated Bother COc1ccc([C@H](C(C)=O)[C@H]2C(=O)C(=O)[C@@H]2NCCC(C)(C)C)cc1 ZINC000028474353 EF Annotated Clean COc1ccc([C@@H](C(C)=O)[C@H]2C(=O)C(=O)[C@@H]2NCCC(C)(C)C)cc1 ZINC000028474355 EF Annotated Clean COc1ccc([C@H](C(C)=O)[C@@H]2C(=O)C(=O)[C@@H]2NCCC(C)(C)C)cc1 ZINC000028474358 EF Annotated Clean COc1ccc([C@@H](C(C)=O)[C@@H]2C(=O)C(=O)[C@@H]2NCCC(C)(C)C)cc1 ZINC000028474360 EF Annotated Clean O=C1C(Nc2ccc(O)cc2)=C(Cl)C(=O)c2sc(CO)cc21 ZINC000028520458 EF Annotated Mild COC(=O)c1cc2c(s1)C(=O)C=C(Nc1ccc(OC)cc1)C2=O ZINC000028520985 EF Annotated Mild COC(=O)c1cc2c(s1)C(=O)C=C(Nc1ccc(O)cc1)C2=O ZINC000028520987 EF Annotated Mild CC(=O)NCn1cc(-c2ccc(-c3ccc(C#N)cc3)cc2)c(=O)o1 ZINC000028521936 EF Annotated Mild O=C(O)c1ccccc1C(=O)NCCOC(=S)Nc1ccccc1 ZINC000028522076 EF Annotated Anodyne CCC[C@@H]1CN2C(=N1)N(CC)C(=O)c1[nH]c(Cc3ccccc3)nc12 ZINC000028523782 EF Annotated Anodyne Nc1ccc(C2=Nn3cc(CO)nc3Cc3ccc(Cl)cc32)cc1 ZINC000028523999 EF Annotated Anodyne COc1ccccc1-c1ccc(-c2cn(CNC(C)=O)oc2=O)cc1 ZINC000028525375 EF Annotated Anodyne CN1C(=O)N[C@@H](Cc2c[nH]c3c(OCc4ccccc4)cccc23)C1=O ZINC000028527683 EF Annotated Anodyne CN1C(=O)N[C@H](Cc2c[nH]c3c(OCc4ccccc4)cccc23)C1=O ZINC000028527685 EF Annotated Anodyne C/C(=N/NC(=O)c1ccncc1)c1cccc(CN2CCCC2)c1O ZINC000028528265 EF Annotated Reactive N#Cc1cc(Oc2cccnc2)cc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028528415 EF Annotated Mild CC(=O)Oc1ccc(/C=C2/C(=O)Oc3ccc(OC(C)=O)cc32)cc1 ZINC000028528535 EF Annotated Anodyne CNc1cc(NC)c2ccn(S(=O)(=O)c3ccc(N)cc3)c2c1 ZINC000028529583 EF Annotated Anodyne CCCC[C@@H]1Oc2ccc([C@@H](O)Cn3ccnc3)cc2N(C)C1=O ZINC000028530761 EF Annotated Anodyne CCCC[C@H]1Oc2ccc([C@@H](O)Cn3ccnc3)cc2N(C)C1=O ZINC000028530763 EF Annotated Anodyne CCCC[C@@H]1Oc2ccc([C@H](O)Cn3ccnc3)cc2N(C)C1=O ZINC000028530765 EF Annotated Anodyne CCCC[C@H]1Oc2ccc([C@H](O)Cn3ccnc3)cc2N(C)C1=O ZINC000028530767 EF Annotated Anodyne CN1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N[C@@H]1NC(=O)O ZINC000028564418 EF Annotated Anodyne CN1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N[C@H]1NC(=O)O ZINC000028564420 EF Annotated Anodyne Cc1n[nH]c2sc(C(N)=O)c(NC(=O)c3ccccc3Cl)c12 ZINC000028564927 EF Annotated Anodyne Cc1n[nH]c2sc(C(N)=O)c(NC(=O)c3ccc(Cl)cc3)c12 ZINC000028564947 EF Annotated Anodyne CN1CCN(C(=O)c2cc3c(-c4ccccc4)[nH]nc3s2)CC1 ZINC000028565109 EF Annotated Anodyne Cn1nc(N)c2cc(-c3c(-c4ccccc4)nn4ccccc34)nnc21 ZINC000028565343 EF Annotated Anodyne COc1ccc(-c2cn(-c3c(O)c(F)cc(F)c3F)nn2)cc1O ZINC000028567573 EF Annotated Anodyne CO[C@H]1CC(=O)[C@@]2(CC(=O)O[C@@H]2/C=C(\C)CCC=C(C)C)C[C@@H]1O ZINC000028567708 EF Annotated Anodyne COc1cc(-c2cn(-c3c(O)c(F)cc(F)c3F)nn2)ccc1O ZINC000028567733 EF Annotated Anodyne CO[C@@H]1CC(=O)[C@@]2(CC(=O)O[C@@H]2/C=C(\C)CCC=C(C)C)C[C@@H]1O ZINC000028567762 EF Annotated Anodyne COc1cc(OC)cc(-c2cn(-c3ccc(OC)cc3OC)nn2)c1 ZINC000028567784 EF Annotated Anodyne CCOC(=O)CCSc1nnc(-c2ccc([N+](=O)[O-])o2)s1 ZINC000028569879 EF Annotated Bother COC(=O)CCSc1nnc(-c2ccc([N+](=O)[O-])s2)s1 ZINC000028570052 EF Annotated Bother CN(C)CCCn1c(Cn2c(=O)[nH]c3ccccc32)nc2ccccc21 ZINC000028570056 EF Annotated Anodyne C[C@@H](CC(=O)O)Cc1nc(CCCc2ccc3c(n2)NCCC3)no1 ZINC000028570403 EF Annotated Anodyne C[C@H](CC(=O)O)Cc1nc(CCCc2ccc3c(n2)NCCC3)no1 ZINC000028570404 EF Annotated Anodyne CCOC(=O)[C@@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])o2)s1 ZINC000028570561 EF Annotated Bother CCOC(=O)[C@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])o2)s1 ZINC000028570562 EF Annotated Bother CO[C@H]1[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccco3)O[C@H]2[C@@H]1OC ZINC000028571143 EF Annotated Anodyne CC(C)Cc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1 ZINC000028571692 EF Annotated Anodyne C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)C(C)C)=C/C[C@H]12 ZINC000028572535 EF Annotated Mild COc1ccc(-c2nc(SC)nc(N3CCOCC3)c2C#N)cc1 ZINC000028580462 EF Annotated Mild COc1c(C)c(O)c2c(=O)c3c(oc2c1O)[C@H](O)Oc1ccccc1-3 ZINC000028636757 EF Annotated Anodyne COc1c(C)c(O)c2c(=O)c3c(oc2c1O)[C@@H](O)Oc1ccccc1-3 ZINC000028636760 EF Annotated Anodyne CCOC(=O)C1=CCC[C@@H]1S(=O)(=O)Nc1ccc(F)cc1Cl ZINC000028638013 EF Annotated Anodyne CCOC(=O)C1=CCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1Cl ZINC000028638015 EF Annotated Anodyne Cc1ccc(C2=C(c3ccc(NS(C)(=O)=O)cc3)COC2=O)cc1 ZINC000028640988 EF Annotated Anodyne COc1cc(N)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028642314 EF Annotated Anodyne Oc1ccc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(O)c(O)c2)cc1O ZINC000028643922 EF Annotated Clean in-vivo COc1c(C(=N)N)cccc1-c1cc(-c2cccc(C(=N)N)c2)no1 ZINC000028644058 EF Annotated Anodyne COc1c(C(=N)N)cccc1-c1cc(-c2cccc(C(=N)N)c2)on1 ZINC000028644210 EF Annotated Anodyne COc1c(C(=N)N)cccc1-c1cc(-c2ccc(C(=N)N)cc2)on1 ZINC000028644647 EF Annotated Anodyne COc1c(C(=N)N)cccc1-c1cc(-c2ccc(C(=N)N)cc2)no1 ZINC000028644934 EF Annotated Anodyne COc1ncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1 ZINC000028645184 EF Annotated Anodyne Cn1cc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)ccc1=O ZINC000028645190 EF Annotated Anodyne Clc1ccc2nnc3c(I)cnn3c2c1 ZINC000028649504 EF Annotated Anodyne CC(C)N1CC(c2cc(OCc3ccc(F)cc3)ncn2)=C(O)C1=O ZINC000028649615 EF Annotated Anodyne CCCN1CC(c2cc(OCc3ccc(F)cc3)ncn2)=C(O)C1=O ZINC000028649619 EF Annotated Anodyne O=C(CCCN1C(=O)c2ccccc2C1=O)N/N=C\C1=CCCCC1 ZINC000028654802 EF Annotated Reactive CC(C)C1=CC(=O)[C@]2(C)CC[C@@]3(C)C(=O)CC(C=O)=CC[C@@H]3[C@]12O ZINC000028655067 EF Annotated Reactive O=C1NC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccn1 ZINC000028655129 EF Annotated Anodyne O=C1NC(=O)[C@@H]2[C@@H]1[C@@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccn1 ZINC000028655132 EF Annotated Anodyne CC(C)(S)CNCCN(CCN1CCCCC1)CC(C)(C)S ZINC000028705870 EF Annotated Mild Cc1ccc(/C=N/NC(=S)NC2CCCCC2)c(C(=O)O)c1O ZINC000028705962 EF Annotated Mild COc1c(C)ccc(/C=N/NC(=S)NC2CCCCC2)c1C(=O)O ZINC000028705965 EF Annotated Mild Cc1ccc(O)c(C(=O)O)c1/C=N/NC(=S)NC1CCCCC1 ZINC000028705968 EF Annotated Mild COc1ccc(C)c(/C=N/NC(=S)NC2CCCCC2)c1C(=O)O ZINC000028705971 EF Annotated Mild Cc1cccc(C)c1NC(=O)CNCCCC(=O)N1CCCCC1 ZINC000028706788 EF Annotated Anodyne Cc1cccc(C)c1NC(=O)CNCCCC(=O)N1CCC(C)CC1 ZINC000028706793 EF Annotated Anodyne OC[C@@H](CCn1cnc2c(Cl)ncnc21)COCc1ccccc1 ZINC000028709821 EF Annotated Anodyne OC[C@H](CCn1cnc2c(Cl)ncnc21)COCc1ccccc1 ZINC000028709823 EF Annotated Anodyne CCN(CC)c1c(-c2ccn(C)n2)c(-c2ccccc2)nn(C)c1=O ZINC000028710312 EF Annotated Anodyne Cc1cc(C)c2nc(NCCCN)n(Cc3nc(C)ccc3O)c2c1 ZINC000028710357 EF Annotated Anodyne Cc1cc(C)c2nc(NCCCO)n(Cc3nc(C)ccc3O)c2c1 ZINC000028710379 EF Annotated Anodyne CNc1ccc(-c2cn3cc(SCC(N)=O)ccc3n2)cc1C ZINC000028710771 EF Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2cccnc2)c(F)c1 ZINC000028711426 EF Annotated Anodyne N#Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1NS(N)(=O)=O ZINC000028711953 EF Annotated Mild COc1cc(-c2ccc(C(F)(F)F)cc2)ccc1NS(N)(=O)=O ZINC000028711978 EF Annotated Anodyne NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1O ZINC000028711982 EF Annotated Anodyne COc1ccc(Cc2nnc3n2N[C@H](c2ccc[nH]2)S3)cc1OC ZINC000028712923 EF Annotated Anodyne COc1ccc(Cc2nnc3n2N[C@@H](c2ccc[nH]2)S3)cc1OC ZINC000028712924 EF Annotated Anodyne C=C(C)C(=O)OCc1cc2c(cc1[N+](=O)[O-])N[C@H](CNC(C)C)CC2 ZINC000028713213 EF Annotated Mild C=C(C)C(=O)OCc1cc2c(cc1[N+](=O)[O-])N[C@@H](CNC(C)C)CC2 ZINC000028713214 EF Annotated Mild Cc1nc(C)c(CN2CCN(Cc3ccccc3C#N)CC2)nc1C ZINC000028713661 EF Annotated Mild C1CSC(CC[C@@H]2COCCO2)(C[C@@H]2COCCO2)SC1 ZINC000028714539 EF Annotated Anodyne O=C(O)CCCC(=O)N1CCC2(CC1)CCN(c1ccncc1)CC2 ZINC000028755381 EF Annotated Anodyne CCOC(=O)c1c(C)cc2cnn(-c3ccc(N)cc3)c(=O)c2c1C ZINC000028757883 EF Annotated Clean CCOC(=O)c1c(C)cc2cnn(-c3ccc(O)cc3)c(=O)c2c1C ZINC000028757911 EF Annotated Anodyne COC(=O)c1[nH]c(=O)n2cccc(-c3ccc(-n4ccnc4C)cc3)c12 ZINC000028762892 EF Annotated Anodyne O=c1cnn(-c2ccc(Sc3ccc(Cl)cc3)cc2)c(=O)[nH]1 ZINC000028763337 EF Annotated Anodyne CN(C)CCN1c2ccccc2N(C)S(=O)(=O)c2ccccc21 ZINC000028765483 EF Annotated Anodyne CN(C)C(=O)N1c2ccccc2N(C)S(=O)(=O)c2ccccc21 ZINC000028765977 EF Annotated Anodyne COc1cc2c(cc1OC)C(C)=[N+]([O-])[C@H](c1cccc3c1OCO3)N2 ZINC000028767437 EF Annotated Anodyne COc1ccc2c(c1)cc(/C(O)=N/c1nn[nH]n1)n2-c1ccccc1 ZINC000028767717 EF Annotated Mild COc1cc2c(cc1OC)C(C)=[N+]([O-])[C@H](c1ccc3c(c1)OCO3)N2 ZINC000028767828 EF Annotated Anodyne CCCc1[nH]c(=O)c(CCC(=O)OC)c2cc(OC)c(OC)cc12 ZINC000028767860 EF Annotated Anodyne COc1cc2c(C)[nH]c(=O)c(CCC(=O)OC(C)C)c2cc1OC ZINC000028767910 EF Annotated Anodyne COC(=O)CCc1c(=O)[nH]c(C(C)C)c2cc(OC)c(OC)cc12 ZINC000028767911 EF Annotated Anodyne CC[C@@H](C)c1ccc2c(c1)-c1[nH]c(C(=O)O)cc(=O)c1CS2(=O)=O ZINC000028768756 EF Annotated Anodyne CC[C@H](C)c1ccc2c(c1)-c1[nH]c(C(=O)O)cc(=O)c1CS2(=O)=O ZINC000028768758 EF Annotated Anodyne CC(=O)c1cc2c(s1)[C@@H](NC(=O)c1ccco1)[C@H](O)C(C)(C)O2 ZINC000028770351 EF Annotated Anodyne CCOC(=O)C[C@@H]1CCCN1C(=O)C(=O)c1c[nH]c2c(C)cccc12 ZINC000028771554 EF Annotated Anodyne CCOC(=O)C[C@H]1CCCN1C(=O)C(=O)c1c[nH]c2c(C)cccc12 ZINC000028771561 EF Annotated Anodyne C[n+]1cn(Cc2ccccc2)c2c(NOCc3ccccc3)ncnc21 ZINC000028816412 EF Annotated Anodyne COC(=O)c1cn(-c2ccc(OC)cc2)c2c1C(=O)C(C)=C(C)C2=O ZINC000028817968 EF Annotated Mild COc1cc(Br)c2c(c1)C(=O)N(c1ccc(O)cc1)C2=O ZINC000028818141 EF Annotated Anodyne O=C1c2cc(O)cc(Br)c2C(=O)N1c1ccc(O)cc1 ZINC000028818148 EF Annotated Anodyne C[C@@H](N(C)C(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O)C(C)(C)C ZINC000028820105 EF Annotated Anodyne C[C@H](N(C)C(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O)C(C)(C)C ZINC000028820107 EF Annotated Anodyne CN(C)C1(CNCCc2ccccc2)COc2ccccc2OC1 ZINC000028821254 EF Annotated Anodyne Cc1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1 ZINC000028821256 EF Annotated Anodyne CN(C)C1(CNCCc2ccccc2F)COc2ccccc2OC1 ZINC000028821263 EF Annotated Anodyne CN(CCc1ccccc1)CC1(N(C)C)COc2ccccc2OC1 ZINC000028821264 EF Annotated Anodyne CN(C)C1(CNCCC2=CCSCC2)COc2ccccc2OC1 ZINC000028821278 EF Annotated Anodyne Cc1nc(NCc2ccc(F)cc2)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000028821411 EF Annotated Bother Cc1nc(NCc2cccc(F)c2)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000028821413 EF Annotated Bother Cc1nc(N[C@H]2CC=CC[C@@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000028821465 EF Annotated Bother Cc1nc(N[C@H]2CC=CC[C@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000028821466 EF Annotated Bother Cc1cc(C)cc(S(=O)(=O)n2c(=O)[nH]c3ccc(Cl)cc32)c1 ZINC000028822293 EF Annotated Anodyne CNc1ccc(C#Cc2cnc(OCCO)c(Br)c2)cc1 ZINC000028822530 EF Annotated Mild O=c1c2ccccc2oc2cc(OC[C@@H]3CO3)cc(OC[C@@H]3CO3)c12 ZINC000028822785 EF Annotated Bother O=c1c2ccccc2oc2cc(OC[C@H]3CO3)cc(OC[C@@H]3CO3)c12 ZINC000028822786 EF Annotated Bother O=c1c2ccccc2oc2cc(OC[C@@H]3CO3)cc(OC[C@H]3CO3)c12 ZINC000028822787 EF Annotated Bother O=c1c2ccccc2oc2cc(OC[C@H]3CO3)cc(OC[C@H]3CO3)c12 ZINC000028822788 EF Annotated Bother O=C(CCCC[C@@H](S)CCS)NCCc1ccc(O)c(O)c1 ZINC000028823703 EF Annotated Mild O=C(CCCC[C@H](S)CCS)NCCc1ccc(O)c(O)c1 ZINC000028823704 EF Annotated Mild COc1ccc(C2=NN[C@@]3(S2)C(=O)Nc2ccc(C)cc23)cc1 ZINC000028824729 EF Annotated Clean COc1ccc(C2=NN[C@]3(S2)C(=O)Nc2ccc(C)cc23)cc1 ZINC000028824730 EF Annotated Clean COc1ccc(C2=NN[C@@]3(S2)C(=O)Nc2cc(C)ccc23)cc1 ZINC000028824745 EF Annotated Clean COc1ccc(C2=NN[C@]3(S2)C(=O)Nc2cc(C)ccc23)cc1 ZINC000028824746 EF Annotated Clean COc1ccc(C2=NN[C@@]3(S2)C(=O)N(C)c2ccccc23)cc1 ZINC000028824764 EF Annotated Clean COc1ccc(C2=NN[C@]3(S2)C(=O)N(C)c2ccccc23)cc1 ZINC000028824765 EF Annotated Clean C[C@@H]1O[C@@H](c2ccc([N+](=O)[O-])cc2)OC[C@H]1NC(=O)c1ccccc1 ZINC000028826417 EF Annotated Bother C[C@@H]1O[C@H](c2ccc([N+](=O)[O-])cc2)OC[C@H]1NC(=O)c1ccccc1 ZINC000028826484 EF Annotated Bother CCOC(=O)c1cn2c(c1O)C(=O)N(Cc1cccc(Cl)c1)CC2 ZINC000028826612 EF Annotated Anodyne CC1=Nn2c(nnc2-c2sc(NC(=O)CCl)cc2C)SC1 ZINC000028826932 EF Annotated Reactive Cc1cc(NC(=O)CCl)sc1-c1nnc2sc(S)nn12 ZINC000028826940 EF Annotated Reactive CC(=O)Nc1cc(-c2ccccc2)c(-c2nnc(S)n2N)s1 ZINC000028826972 EF Annotated Anodyne O=S(=O)(c1ccccc1F)c1cn([C@@H]2CCNC2)c2ncccc12 ZINC000028862158 EF Annotated Anodyne O=S(=O)(c1ccccc1F)c1cn([C@H]2CCNC2)c2ncccc12 ZINC000028862160 EF Annotated Anodyne O=S(=O)(c1cccc(F)c1)c1cn([C@@H]2CCNC2)c2ncccc12 ZINC000028862162 EF Annotated Anodyne O=S(=O)(c1cccc(F)c1)c1cn([C@H]2CCNC2)c2ncccc12 ZINC000028862164 EF Annotated Anodyne Nc1nc2ccc(Cl)cc2n2c(=O)c(-c3ccc(Cl)cc3)nn12 ZINC000028862574 EF Annotated Anodyne Cc1ccc(-c2nn3c(N)nc4ccc(Cl)cc4n3c2=O)cc1 ZINC000028862576 EF Annotated Anodyne COC1=CC(=O)c2c(COc3ccc(C#N)cc3)c(C)n(C)c2C1=O ZINC000028864312 EF Annotated Mild COC1=CC(=O)c2c(COc3ccc(F)cc3)c(C)n(C)c2C1=O ZINC000028864322 EF Annotated Mild O=c1cc(Cc2c(F)cccc2N2CCCC2)nc(N2CCCC2)[nH]1 ZINC000028866059 EF Annotated Anodyne CCOCn1c(C)c(CNc2cccc3ccccc23)c(=O)[nH]c1=O ZINC000028866841 EF Annotated Anodyne COC(=O)[C@@H]1Cc2c(n(C)c3ncccc23)[C@@H](C2CCCCC2)N1 ZINC000028867534 EF Annotated Anodyne COC(=O)[C@H]1Cc2c(n(C)c3ncccc23)[C@@H](C2CCCCC2)N1 ZINC000028867536 EF Annotated Anodyne COC(=O)[C@@H]1Cc2c(n(C)c3ncccc23)[C@H](C2CCCCC2)N1 ZINC000028867539 EF Annotated Anodyne COC(=O)[C@H]1Cc2c(n(C)c3ncccc23)[C@H](C2CCCCC2)N1 ZINC000028867543 EF Annotated Anodyne COC(=O)[C@@H]1Cc2c(n(C)c3ncccc23)[C@@H](Cc2ccccc2)N1 ZINC000028867581 EF Annotated Anodyne COC(=O)[C@H]1Cc2c(n(C)c3ncccc23)[C@@H](Cc2ccccc2)N1 ZINC000028867583 EF Annotated Anodyne COC(=O)[C@@H]1Cc2c(n(C)c3ncccc23)[C@H](Cc2ccccc2)N1 ZINC000028867587 EF Annotated Anodyne COC(=O)[C@H]1Cc2c(n(C)c3ncccc23)[C@H](Cc2ccccc2)N1 ZINC000028867589 EF Annotated Anodyne COC(=O)[C@@H]1Cc2c([nH]c3ncc(C)cc23)[C@@H](Cc2ccccc2)N1 ZINC000028867663 EF Annotated Anodyne COC(=O)[C@H]1Cc2c([nH]c3ncc(C)cc23)[C@@H](Cc2ccccc2)N1 ZINC000028867667 EF Annotated Anodyne COC(=O)[C@@H]1Cc2c([nH]c3ncc(C)cc23)[C@H](Cc2ccccc2)N1 ZINC000028867671 EF Annotated Anodyne COC(=O)[C@H]1Cc2c([nH]c3ncc(C)cc23)[C@H](Cc2ccccc2)N1 ZINC000028867675 EF Annotated Anodyne COC(=O)[C@@H]1Cc2c(n(C)c3ncc(C)cc23)[C@@H](c2ccccc2)N1 ZINC000028867724 EF Annotated Anodyne COC(=O)[C@H]1Cc2c(n(C)c3ncc(C)cc23)[C@@H](c2ccccc2)N1 ZINC000028867725 EF Annotated Anodyne COC(=O)[C@@H]1Cc2c(n(C)c3ncc(C)cc23)[C@H](c2ccccc2)N1 ZINC000028867728 EF Annotated Anodyne COC(=O)[C@H]1Cc2c(n(C)c3ncc(C)cc23)[C@H](c2ccccc2)N1 ZINC000028867730 EF Annotated Anodyne COC(=O)[C@@H]1Cc2c(n(C)c3ncc(C)cc23)[C@@H](Cc2ccccc2)N1 ZINC000028867732 EF Annotated Anodyne COC(=O)[C@H]1Cc2c(n(C)c3ncc(C)cc23)[C@@H](Cc2ccccc2)N1 ZINC000028867736 EF Annotated Anodyne COC(=O)[C@@H]1Cc2c(n(C)c3ncc(C)cc23)[C@H](Cc2ccccc2)N1 ZINC000028867740 EF Annotated Anodyne COC(=O)[C@H]1Cc2c(n(C)c3ncc(C)cc23)[C@H](Cc2ccccc2)N1 ZINC000028867743 EF Annotated Anodyne N=C(NN1CCOCC1)c1ccc2nc(/C=C/c3ccccc3)[nH]c2c1 ZINC000028869073 EF Annotated Anodyne N=C(NN1CCOCC1)c1ccc2nc(/C=C\c3ccccc3)[nH]c2c1 ZINC000028869115 EF Annotated Anodyne N=C(NN1CCOCC1)c1ccc2nc3ccc4ccccc4n3c2c1 ZINC000028869153 EF Annotated Bother N=C(NN1CCOCC1)c1ccc2ccc3nc4ccccc4n3c2c1 ZINC000028869200 EF Annotated Bother O/N=C\c1cc[n+](C/C=C/C[n+]2ccc(-c3ccccc3)cc2)cc1 ZINC000028872259 EF Annotated Mild O/N=C\c1cc[n+](C/C=C/C[n+]2ccc(Cc3ccccc3)cc2)cc1 ZINC000028872289 EF Annotated Mild N#Cc1c(N)nc(N2CCOCC2)c(C#N)c1-c1ccccc1Cl ZINC000028875524 EF Annotated Mild CN(C)CCN1C(=O)c2cccc3cc4ncsc4c(c23)C1=O ZINC000028876729 EF Annotated Anodyne O=C1C=C(Nc2ccc(Br)cc2)C(=O)c2cnncc21 ZINC000028881262 EF Annotated Mild N#CCOc1c(C(=O)O)sc(Br)c1Br ZINC000028886755 EF Annotated Mild N#Cc1sc(Br)c(Br)c1OCC(=O)O ZINC000028886996 EF Annotated Mild N#Cc1ccc(OCc2ccc(Cl)cc2)c(/C=N/NC(=N)N)c1 ZINC000028888730 EF Annotated Mild N[C@H](C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1)c1ccccc1 ZINC000028891722 EF Annotated Anodyne Cc1ccc([C@H](O)Cn2c(=N)n(CCN(C)C)c3ccccc32)cc1 ZINC000028899082 EF Annotated Anodyne Cc1ccc([C@@H](O)Cn2c(=N)n(CCN(C)C)c3ccccc32)cc1 ZINC000028899087 EF Annotated Anodyne CCN(CC)CCn1c(=N)n(CCN(CC)CC)c2ccccc21 ZINC000028899135 EF Annotated Anodyne CN(C)CC(=O)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13 ZINC000028902698 EF Annotated Anodyne COCCNc1nc2sc3c(OC)nnnc3c2c2c1CCCC2 ZINC000028949415 EF Annotated Anodyne COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@@H]2CCO)cc1 ZINC000028950953 EF Annotated Clean COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@H]2CCO)cc1 ZINC000028950955 EF Annotated Clean COc1ccc2c(c1)[C@@H](O)C[C@@H]1c3c(O)cc(OC)c(C)c3C(=O)N21 ZINC000028950989 EF Annotated Clean C=CCNC(=O)[C@@H](CCCCC)N(CC=C)C(=O)c1cccnc1 ZINC000028952970 EF Annotated Mild C=CCNC(=O)[C@H](CCCCC)N(CC=C)C(=O)c1cccnc1 ZINC000028952972 EF Annotated Mild C=CCNC(=O)[C@@H](CCCCC)N(C(=O)c1cccnc1)C1CC1 ZINC000028952996 EF Annotated Mild C=CCNC(=O)[C@H](CCCCC)N(C(=O)c1cccnc1)C1CC1 ZINC000028952998 EF Annotated Mild C=CCNC(=O)[C@@H](C(C)C)N(CC(C)(C)C)C(=O)c1cccnc1 ZINC000028953036 EF Annotated Mild C=CCNC(=O)[C@H](C(C)C)N(CC(C)(C)C)C(=O)c1cccnc1 ZINC000028953038 EF Annotated Mild C=CCNC(=O)[C@](C)(c1ccccc1)N(C(=O)c1cccnc1)C1CC1 ZINC000028953288 EF Annotated Mild C=CCNC(=O)[C@@](C)(c1ccccc1)N(C(=O)c1cccnc1)C1CC1 ZINC000028953290 EF Annotated Mild C=CCNC(=O)C1(N(CC=C)C(=O)c2cccnc2)CCCCC1 ZINC000028953299 EF Annotated Mild C=CCNC(=O)C1(N(C(=O)c2cccnc2)C2CC2)CCCCC1 ZINC000028953309 EF Annotated Mild Cc1nnsc1C1=NNC(=O)/C1=C\c1c[nH]c2ccc(Cl)cc12 ZINC000028954951 EF Annotated Clean Cn1cc(/C=C2\C(=O)NN=C2c2cnns2)c2cc(Cl)ccc21 ZINC000028954997 EF Annotated Clean CS(=O)(=O)c1ccc([C@@H]2SCC(=O)N2c2ccccc2)cc1 ZINC000028955017 EF Annotated Anodyne CS(=O)(=O)c1ccc([C@H]2SCC(=O)N2c2ccccc2)cc1 ZINC000028955020 EF Annotated Anodyne Cn1cc(/C=C2\C(=O)NN=C2c2cnns2)c2ccc(Cl)cc21 ZINC000028955060 EF Annotated Clean O=C(CCC1=CCCN(CCc2cccc3ccccc23)C1=O)NO ZINC000028955313 EF Annotated Bother Cn1cc(-c2ccc3c(CCCN)cc4cc[nH]c(=O)c4c3c2)cn1 ZINC000028955877 EF Annotated Bother C[C@H](O)c1cc(NCc2cccnc2)n2ncc(Br)c2n1 ZINC000028958845 EF Annotated Anodyne CNc1cc(NCc2cccnc2)n2ncc(Br)c2n1 ZINC000028958914 EF Annotated Anodyne COc1cc(NCc2cccnc2)n2ncc(Br)c2n1 ZINC000028958921 EF Annotated Anodyne CCCCCCO[C@@H](c1ccc([N+](=O)[O-])cc1)c1c[nH]c(=O)[nH]c1=O ZINC000028963121 EF Annotated Bother CCCCCCO[C@H](c1ccc([N+](=O)[O-])cc1)c1c[nH]c(=O)[nH]c1=O ZINC000028963128 EF Annotated Bother O=C(NN=C(c1ccccn1)c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000028964385 EF Annotated Reactive COC(=O)c1cn2ncnc(-c3c(O)[nH]c4cc(F)ccc34)c2c1C ZINC000028966256 EF Annotated Anodyne CN(C)[C@@H]1CCc2c(cccc2NS(=O)(=O)c2ccccc2)C1 ZINC000028966985 EF Annotated Anodyne CN(C)[C@H]1CCc2c(cccc2NS(=O)(=O)c2ccccc2)C1 ZINC000028967003 EF Annotated Anodyne COC(=O)C1=C[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 ZINC000028969907 EF Annotated Anodyne COC(=O)[C@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 ZINC000028970060 EF Annotated Anodyne C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@@](O)(C/C(C)=C/[C@@H](O)C1)NC3=O ZINC000028971358 EF Annotated Mild C=C1CC[C@@H]2CC[C@@H]3C(=O)N/C(=C/[C@H](C)C[C@@H](O)C1)[C@@]3(O)C2(C)C ZINC000028971391 EF Annotated Mild C=C1CC[C@@H]2CC[C@@H]3C(=O)N/C(=C/[C@@H](C)C[C@@H](O)C1)[C@@]3(O)C2(C)C ZINC000028971395 EF Annotated Mild C=C1CC[C@@H]2CC[C@H]3C(=O)N/C(=C/[C@H](C)C[C@@H](O)C1)[C@@]3(O)C2(C)C ZINC000028971398 EF Annotated Mild C=C1C=C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C)CC[C@@H]3[C@@H](OC(=O)[C@]3(C)O)[C@H]12 ZINC000028971763 EF Annotated Mild C/C=C(\C)C(=O)O[C@H]1C[C@](C)(O)[C@@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@H](C)[C@H]12 ZINC000028972292 EF Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@](C)(O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@H](C)[C@H]12 ZINC000028972295 EF Annotated Anodyne C[C@@H]1CN2C[C@H]3CCC4=C5[C@](O)(CC4)CC[C@@]54C(=O)[C@@H]1C[C@@H]2[C@@]34C ZINC000028973010 EF Annotated Anodyne CO/N=C(\C)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028976988 EF Annotated Mild CCO/N=C(\C)c1ccc(F)cc1NS(=O)(=O)C(F)(F)F ZINC000028977008 EF Annotated Mild CCO/N=C(\C)c1cccc(OC)c1NS(=O)(=O)C(F)(F)F ZINC000028977011 EF Annotated Mild COc1cc(-n2cc(-c3ccccc3)[nH]c2=O)cc(OC)c1OC ZINC000029038175 EF Annotated Anodyne COc1ccc(-c2cn(-c3ccc(OC)c(OC)c3)c(=O)[nH]2)cc1 ZINC000029038179 EF Annotated Anodyne O=C1OC(=C(Br)Br)C=C1CBr ZINC000029038916 EF Annotated Reactive O=C1O/C(=C\Br)C(Br)=C1CBr ZINC000029038920 EF Annotated Reactive CCCNc1nc2c(s1)C(=O)N(c1cc(C(=O)NC)ccc1C)C2 ZINC000029041435 EF Annotated Anodyne CNC(=O)c1ccc(C)c(N2Cc3nc(NC(C)C)sc3C2=O)c1 ZINC000029041439 EF Annotated Anodyne CCSCCSc1nnc(-c2ncc([N+](=O)[O-])n2C)s1 ZINC000029044088 EF Annotated Bother COc1ccc2c(N3CCN(C(C)=O)CC3)c3ccoc3nc2c1 ZINC000029044518 EF Annotated Anodyne N#Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc43)c12 ZINC000029047352 EF Annotated Mild CCNC(=O)n1oc(=O)c(-c2ccc(F)cc2)c1-c1ccncc1 ZINC000029054769 EF Annotated Anodyne NC(=O)c1cc(Cc2ccccc2)cc(C(=O)CBr)c1 ZINC000029055660 EF Annotated Reactive C[C@@]1(c2ccccc2)NC(=O)N(C(=O)/C=C/c2ccc(F)cc2)C1=O ZINC000029056223 EF Annotated Anodyne C[C@]1(c2ccccc2)NC(=O)N(C(=O)/C=C/c2ccc(F)cc2)C1=O ZINC000029056227 EF Annotated Anodyne CN(C)Cc1nc2cc([N+](=O)[O-])c3oc4ccccc4c(=O)c3c2[nH]1 ZINC000029057112 EF Annotated Bother CC(=O)NNc1nc(O)c2c(-c3ccccc3)c3c(nc2n1)CCCC3 ZINC000029057524 EF Annotated Reactive C[N+](C)=c1ccc2nc3c(cc(NCCCO)c4ccccc43)oc-2c1 ZINC000029058355 EF Annotated Bother O=[N+]([O-])OCCCCCCn1cnc2c(N3CCCCC3)ncnc21 ZINC000029059819 EF Annotated Anodyne O=C1N/C(=N\c2nccs2)S/C1=C\c1ccccc1[N+](=O)[O-] ZINC000029059936 EF Annotated Mild CCc1cc(-c2ccc(C(=O)CCC(=O)NCCO)cc2)ccc1O ZINC000029123299 EF Annotated Anodyne O=C1C(NCCc2ccc(Cl)cc2)=CC2=NCCc3c[nH]c1c32 ZINC000029124155 EF Annotated Mild CC[C@@H]1C(=O)NN=C(c2ccc(N)c(C)c2)c2cc3c(cc21)OCO3 ZINC000029124367 EF Annotated Anodyne CC[C@H]1C(=O)NN=C(c2ccc(N)c(C)c2)c2cc3c(cc21)OCO3 ZINC000029124369 EF Annotated Anodyne C[C@@H]1C(=O)NN=C(c2ccc(N)c(Cl)c2)c2cc3c(cc21)OCO3 ZINC000029124439 EF Annotated Anodyne C[C@H]1C(=O)NN=C(c2ccc(N)c(Cl)c2)c2cc3c(cc21)OCO3 ZINC000029124440 EF Annotated Anodyne CCN(CC)CCN1C(=O)c2c(c3c(ccn3C)c3ccoc23)C1=O ZINC000029124470 EF Annotated Anodyne CCN(CC)CCN1C(=O)C(c2ccco2)=C(c2cccs2)C1=O ZINC000029124498 EF Annotated Anodyne CC(C)C1=C[C@]23O[C@H]2C[C@H]2C4=C(CC[C@]2(C)[C@@]32O[C@H]2[C@H]1F)C(=O)OC4 ZINC000029126336 EF Annotated Anodyne CC(C)C1=C[C@]23O[C@H]2C[C@H]2C4=C(CC[C@]2(C)[C@@]32O[C@H]2[C@@H]1F)C(=O)OC4 ZINC000029126373 EF Annotated Anodyne CSc1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)CC[C@]3(C)O2)ccc1C#N ZINC000029126923 EF Annotated Mild CSc1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C)CC[C@@]3(C)O2)ccc1C#N ZINC000029126924 EF Annotated Mild O=C(Nc1ccc(F)cc1)C1=C(O)[C@@H](CCc2ccccc2)NC1=O ZINC000029126951 EF Annotated Anodyne C[C@@H]1CCCCN1/[N+]([O-])=N/Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000029127341 EF Annotated Clean C[C@H]1CCCCN1/[N+]([O-])=N/Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000029127342 EF Annotated Clean C[S@@](=O)c1nc2ccccc2n1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000029127717 EF Annotated Bother C[S@](=O)c1nc2ccccc2n1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000029127718 EF Annotated Bother CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@@H]1CNCc1ccc[nH]1 ZINC000029128000 EF Annotated Anodyne CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CNCc1ccc[nH]1 ZINC000029128001 EF Annotated Anodyne CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CNCc1ccc[nH]1 ZINC000029128002 EF Annotated Anodyne CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@H]1CNCc1ccc[nH]1 ZINC000029128003 EF Annotated Anodyne CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@@H]1CNCc1cnco1 ZINC000029128100 EF Annotated Anodyne CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CNCc1cnco1 ZINC000029128101 EF Annotated Anodyne CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CNCc1cnco1 ZINC000029128102 EF Annotated Anodyne CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@H]1CNCc1cnco1 ZINC000029128103 EF Annotated Anodyne N[C@@]12CCCC[C@@H](CC1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000029128407 EF Annotated Anodyne N[C@]12CCCC[C@H](CC1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000029128408 EF Annotated Anodyne O=Cc1cc(NC(=O)/C=C/c2ccco2)ccc1N1CCOCC1 ZINC000029128696 EF Annotated Anodyne O=C(/C=C/c1cccs1)Nc1ccc(N2CCOCC2)c(CO)c1 ZINC000029128753 EF Annotated Anodyne FC(F)(F)c1ncnc2c1ncn2[C@@H]1COc2ccccc2CO1 ZINC000029128775 EF Annotated Anodyne FC(F)(F)c1ncnc2c1ncn2[C@H]1COc2ccccc2CO1 ZINC000029128776 EF Annotated Anodyne COc1cc(-n2c(-c3ccc(O)cc3)c[nH]c2=O)cc(OC)c1OC ZINC000029130810 EF Annotated Anodyne Cn1cc2c3c1C(=O)C(NCCc1c[nH]c4ccccc14)=CC3=NCC2 ZINC000029132007 EF Annotated Mild CC1=NCCNC2=C1[C@H](c1ccc(F)cc1)N(c1ccccn1)C2=O ZINC000029132353 EF Annotated Anodyne Oc1cc2c(cc1O)CN(C(=S)NCCc1ccccc1)CCC2 ZINC000029132735 EF Annotated Clean Cc1cc(-c2nc3sc(C)cn3c2/C=N/N=C(N)N)c(C)s1 ZINC000029133457 EF Annotated Mild Cc1ccc(S(=O)(=O)N/N=c2\cc[nH]c3cc(Cl)ccc23)cc1 ZINC000029134421 EF Annotated Anodyne C[C@@H](O)c1c(-c2ccccc2)c(-c2ccccc2)nn(CCO)c1=O ZINC000029204378 EF Annotated Anodyne C[C@H](O)c1c(-c2ccccc2)c(-c2ccccc2)nn(CCO)c1=O ZINC000029204384 EF Annotated Anodyne CC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(CCO)c1=O ZINC000029209684 EF Annotated Anodyne CCN[C@@H]1CCc2c(I)ccc(OC)c2C1 ZINC000029211396 EF Annotated Anodyne CCN[C@H]1CCc2c(I)ccc(OC)c2C1 ZINC000029211402 EF Annotated Anodyne CN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)C(F)(F)F ZINC000029212276 EF Annotated Anodyne CCN[C@@H]1CCc2c(OC)ccc(I)c2C1 ZINC000029212745 EF Annotated Anodyne CCN[C@H]1CCc2c(OC)ccc(I)c2C1 ZINC000029212749 EF Annotated Anodyne CC(C)CS(=O)(=O)N(C)[C@H]1CCN2CCc3ccccc3[C@H]2C1 ZINC000029214069 EF Annotated Anodyne CCCCS(=O)(=O)N(C)[C@@H]1CCN2CCc3ccccc3[C@@H]2C1 ZINC000029216937 EF Annotated Anodyne COc1c(C(C)(C)C)cc(I)c(O)c1CN ZINC000029217801 EF Annotated Clean Cc1ccc(CN2C(=O)[C@@H]([C@@H](C#N)C(=O)O)c3cc(F)ccc32)cc1 ZINC000029218676 EF Annotated Mild COP(=O)(OC)C(O)(c1ccc(F)cc1)P(=O)(OC)OC ZINC000029220651 EF Annotated Anodyne CO[P@@](=O)(O)C(Cc1ccc(Cl)cc1)[P@@](=O)(O)OC ZINC000029223413 EF Annotated Anodyne CCCCC/C=C/[C@@]1(C)O[C@@H]2OC(=O)N(C(=O)CCl)[C@@H]2CC1=O ZINC000029234219 EF Annotated Reactive O=C(C[C@@H]1Sc2ccccc2N(CC2CCCCC2)C1=O)NO ZINC000029249934 EF Annotated Bother O=C(C[C@H]1Sc2ccccc2N(CC2CCCCC2)C1=O)NO ZINC000029249938 EF Annotated Bother CCCCNc1nc(Cl)c(SC)c(N2CCN(C)CC2)n1 ZINC000029250161 EF Annotated Anodyne O=S1(=O)C/C(=C\c2ccccc2)C2=NN[C@H](c3ccccc3)[C@H]2C1 ZINC000029251414 EF Annotated Anodyne O=S1(=O)C/C(=C\c2ccccc2)C2=NN[C@H](c3ccccc3)[C@@H]2C1 ZINC000029251420 EF Annotated Anodyne O=S1(=O)C/C(=C\c2ccccc2)C2=NN[C@@H](c3ccccc3)[C@H]2C1 ZINC000029251424 EF Annotated Anodyne O=S1(=O)C/C(=C\c2ccccc2)C2=NN[C@@H](c3ccccc3)[C@@H]2C1 ZINC000029251430 EF Annotated Anodyne O=C1Nc2cc(C(F)(F)F)ccc2[C@@]1(O)c1cc(F)ccc1O ZINC000029252556 EF Annotated Anodyne O=C1Nc2cc(C(F)(F)F)ccc2[C@]1(O)c1cc(F)ccc1O ZINC000029252562 EF Annotated Anodyne O=C(C[C@@H]1Sc2ccccc2N(Cc2ccccc2)C1=O)NO ZINC000029253666 EF Annotated Bother O=C(C[C@H]1Sc2ccccc2N(Cc2ccccc2)C1=O)NO ZINC000029253673 EF Annotated Bother CCCSC1=NC(=O)[C@@]2(CC(C)(C)Oc3ccc(C#N)cc32)N1 ZINC000029307398 EF Annotated Mild CCCSC1=NC(=O)[C@]2(CC(C)(C)Oc3ccc(C#N)cc32)N1 ZINC000029307403 EF Annotated Mild O=C(C[C@@H]1Sc2ccccc2N(CCc2ccccc2)C1=O)NO ZINC000029308232 EF Annotated Bother O=C(C[C@H]1Sc2ccccc2N(CCc2ccccc2)C1=O)NO ZINC000029308238 EF Annotated Bother Cc1ccc(-c2cc(Cl)cc(C(=O)Nc3nnn[nH]3)n2)cc1C ZINC000029314919 EF Annotated Anodyne COc1c(OC)c(OC(C)=O)c2c(C#N)cccc2c1OC(C)=O ZINC000029318934 EF Annotated Mild Nc1ccc2c3c1sc1ccccc1c3nn2CCNCCO ZINC000029319769 EF Annotated Bother Cc1cccc2c1N=C(N1CCN(CCO)CC1)c1cscc1O2 ZINC000029323042 EF Annotated Anodyne Cc1ccc2c(c1)Oc1cscc1C(N1CCN(CCO)CC1)=N2 ZINC000029323047 EF Annotated Anodyne Cc1ccc2c(c1)N=C(N1CCN(CCO)CC1)c1cscc1O2 ZINC000029327167 EF Annotated Anodyne CCN1CCCCCOc2cc(N)c(Cl)cc2C(=O)NCCC1 ZINC000029337644 EF Annotated Anodyne C[S+](C)CC#CCOC(=O)Nc1cccc(Br)c1 ZINC000029339435 EF Annotated Mild CN(C)CCN1C(=O)c2ccc(N)c3cc4ccccc4c(c23)C1=O ZINC000029343825 EF Annotated Bother C[S+](C)CC#CCOC(=O)Nc1ccc(Br)cc1 ZINC000029344972 EF Annotated Mild CCN(CC)CC(=O)c1cc(C(=O)c2ccc(OC)cc2)n(C)c1 ZINC000029345390 EF Annotated Anodyne S=C(NCN1CCCCC1)Nc1ccc(Br)cn1 ZINC000029347429 EF Annotated Anodyne in-vivo C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Br)c1 ZINC000029347489 EF Annotated Mild CCNCc1cc(OC)c2c(c1)C(=O)c1cccc(OC)c1C2=O ZINC000029348158 EF Annotated Clean CN(C)CCN1C(=O)c2ccc(O)c3cc4ccccc4c(c23)C1=O ZINC000029388383 EF Annotated Bother Cc1nn(C)c(NC(=O)C(F)(F)F)c1C(=O)c1ccccc1F ZINC000029389051 EF Annotated Anodyne CN1CCN(Cc2ccc(Cl)cc2Cl)[C@@H](CC2=NCCN2)C1 ZINC000029389491 EF Annotated Anodyne Cc1ccc(C(=O)Oc2cccc3c2C(=O)C=C(N2CC2)C3=O)cc1 ZINC000029390011 EF Annotated Mild CCOC(=O)Nc1cc2c(c(N)n1)N=C1Cc3ccccc3C[C@H]1O2 ZINC000029392768 EF Annotated Anodyne CCOC(=O)Nc1cc2c(c(N)n1)N=C1Cc3ccccc3C[C@@H]1O2 ZINC000029392771 EF Annotated Anodyne O=C(Oc1cccc2c1C(=O)C=C(N1CC1)C2=O)c1cccs1 ZINC000029392832 EF Annotated Mild Cc1nn(C)c(N(C)C(=O)C(F)(F)F)c1C(=O)c1ccccc1F ZINC000029393480 EF Annotated Anodyne Cc1cnc(NCCCN2CCOCC2)c2c3cnccc3n(C)c12 ZINC000029393689 EF Annotated Anodyne Cc1nn(C)c(NC(=O)C(Cl)Cl)c1C(=O)c1ccccc1F ZINC000029395844 EF Annotated Reactive O=C(Oc1cccc2c1C(=O)C=C(N1CC1)C2=O)c1ccc(F)cc1 ZINC000029396148 EF Annotated Mild N[C@@H](Cc1cn(Cc2ccccc2)c(C2CCCCC2)n1)C(=O)O ZINC000029404231 EF Annotated Anodyne N[C@H](Cc1cn(Cc2ccccc2)c(C2CCCCC2)n1)C(=O)O ZINC000029404234 EF Annotated Anodyne C[N+](C)(C)CCS/C(=N\O)C(=O)c1ccc(Br)cc1 ZINC000029404242 EF Annotated Mild CC[N+](C)(CC)CCS/C(=N\O)C(=O)c1ccc(OC)cc1 ZINC000029404244 EF Annotated Mild N[C@@H](Cc1cnc(C2CCCCC2)n1Cc1ccccc1)C(=O)O ZINC000029410816 EF Annotated Anodyne N[C@H](Cc1cnc(C2CCCCC2)n1Cc1ccccc1)C(=O)O ZINC000029410818 EF Annotated Anodyne CN(C)CCS/C(=N\O)C(=O)c1ccc(Br)cc1 ZINC000029412180 EF Annotated Mild CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)O)OC[C@@H]3NC(N)=O ZINC000029416029 EF Annotated Anodyne CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)O)OC[C@H]3NC(N)=O ZINC000029416032 EF Annotated Anodyne CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)O)OC[C@@H]3NC(N)=O ZINC000029416034 EF Annotated Anodyne CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)O)OC[C@H]3NC(N)=O ZINC000029416036 EF Annotated Anodyne C[C@@H]1SC(=O)NN=C1c1ccc(C2=NNC(=O)S[C@@H]2C)cc1 ZINC000029465202 EF Annotated Anodyne C[C@H]1SC(=O)NN=C1c1ccc(C2=NNC(=O)S[C@@H]2C)cc1 ZINC000029465205 EF Annotated Anodyne C[C@@H]1SC(=O)NN=C1c1ccc(C2=NNC(=O)S[C@H]2C)cc1 ZINC000029465208 EF Annotated Anodyne O=C(O)CC1=C(c2ccccc2)N=C(S)N[C@@H]1c1cccnc1 ZINC000029466793 EF Annotated Anodyne O=C(O)CC1=C(c2ccccc2)N=C(S)N[C@H]1c1cccnc1 ZINC000029466796 EF Annotated Anodyne CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccccc1N ZINC000029468578 EF Annotated Anodyne CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(N)cc1 ZINC000029468987 EF Annotated Clean CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(O)cc1 ZINC000029474351 EF Annotated Anodyne Nc1cc(S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c2cccnc12 ZINC000029480657 EF Annotated Bother CCN1C(=O)c2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O ZINC000029481023 EF Annotated Anodyne Nc1ccc(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])cc1 ZINC000029481409 EF Annotated Bother Cc1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+](=O)[O-] ZINC000029482168 EF Annotated Bother O=S1(=O)C=C(O)N2C(=N1)Sc1cc(OC(F)(F)F)ccc12 ZINC000029482270 EF Annotated Anodyne Nc1cc(S(=O)(=O)c2ccccc2F)c([N+](=O)[O-])c2cccnc12 ZINC000029482755 EF Annotated Bother CCOC1(OCC)[C@H]2c3ccccc3[C@H]([n+]3cnn(C)c32)C1(C)C ZINC000029485041 EF Annotated Anodyne CNC1=C[C@@H]2N=CN(C)/C(=N\c3cccc(Br)c3)[C@@H]2C=N1 ZINC000029486536 EF Annotated Mild CNC1=C[C@H]2N=CN(C)/C(=N\c3cccc(Br)c3)[C@@H]2C=N1 ZINC000029486539 EF Annotated Mild CNC1=C[C@@H]2N=CN(C)/C(=N\c3cccc(Br)c3)[C@H]2C=N1 ZINC000029486541 EF Annotated Mild CNC1=C[C@H]2N=CN(C)/C(=N\c3cccc(Br)c3)[C@H]2C=N1 ZINC000029486544 EF Annotated Mild Cn1c(OC2CCCCC2)nc(C[C@@]2(c3ccccc3)CO2)cc1=O ZINC000029488952 EF Annotated Anodyne Cn1c(OC2CCCCC2)nc(C[C@]2(c3ccccc3)CO2)cc1=O ZINC000029488955 EF Annotated Anodyne O=C(O)CCc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1 ZINC000029558878 EF Annotated Clean CCOC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)cc(C)cc1O ZINC000029563851 EF Annotated Anodyne CN(C)c1ncnc2c1nc(Br)n2Cc1ccccc1 ZINC000029564337 EF Annotated Anodyne O=C(O)CCCCc1cc(=O)oc2c(CN3CCCC3)c(O)ccc12 ZINC000029570897 EF Annotated Clean O=P(O)(O)Nc1ccc(Br)cc1Br ZINC000299804400 EF Annotated Anodyne C[C@](O)(CCl)COC1=C[C@H]2Oc3ccccc3C(=O)[C@H]2C(O)=C1 ZINC000299806613 EF Annotated Reactive C[C@](O)(CCl)COC1=C[C@@H]2Oc3ccccc3C(=O)[C@H]2C(O)=C1 ZINC000299806614 EF Annotated Reactive C[C@]12CC[C@@H]3[C@H](CC[C@H]4[C@@](O)(C#N)[C@H](O)CC[C@]34C)[C@H]1CCC(=O)O2 ZINC000299807167 EF Annotated Reactive C[C@]12CC[C@@H]3[C@H](CC[C@H]4[C@](O)(C#N)[C@H](O)CC[C@]34C)[C@H]1CCC(=O)O2 ZINC000299807168 EF Annotated Reactive O=C1CS[C@H](c2c(F)cccc2Cl)N1[C@@H]1CC[C@H]1[N+](=O)[O-] ZINC000299807677 EF Annotated Bother O=C1CS[C@H](c2c(F)cccc2Cl)N1[C@H]1CC[C@H]1[N+](=O)[O-] ZINC000299807679 EF Annotated Bother C[S@@](=O)c1ccc(CCCC[C@H]2CO[C@@](C)(C(=O)O)OC2)cc1 ZINC000299808547 EF Annotated Anodyne C[S@](=O)c1ccc(CCCC[C@H]2CO[C@@](C)(C(=O)O)OC2)cc1 ZINC000299808741 EF Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2CCC[C@H]1c1cn[nH]c1C2 ZINC000299811009 EF Annotated Anodyne COC1=C(OC)C2=C(CC1)C[C@@H]1[C@@H]3C[C@@H]4OCO[C@H]4C[C@H]3CCN1C2 ZINC000299811061 EF Annotated Anodyne COC1=C(OC)C2=C(CC1)C[C@@H]1[C@@H]3C[C@@H]4OCO[C@H]4C[C@@H]3CCN1C2 ZINC000299811062 EF Annotated Anodyne COC1=C(OC)C2=C(CC1)C[C@@H]1[C@@H]3C[C@@H]4OCO[C@@H]4C[C@H]3CCN1C2 ZINC000299811063 EF Annotated Anodyne COc1ccc(O[C@@H]2C=C[C@@H](C#Cc3ccccc3)O[C@H]2CO)cc1 ZINC000299812897 EF Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](C#Cc3ccccc3)O[C@H]2CO)cc1 ZINC000299812898 EF Annotated Mild O=C(CNC(=O)/C=C/c1ccco1)N=Nc1c(O)[nH]c2ccccc12 ZINC000299813257 EF Annotated Clean Cn1c(O)c(N=NC(=O)CNC(=O)c2ccco2)c2ccccc21 ZINC000299813259 EF Annotated Clean CCOC(=O)[C@]12[C@H](c3ccccc3)NC(=O)N3CC[C@H]([C@@H]31)C2(C)C ZINC000299813732 EF Annotated Anodyne CCOC(=O)[C@]12[C@H](c3ccccc3)NC(=O)N3CC[C@@H]([C@H]31)C2(C)C ZINC000299813733 EF Annotated Anodyne C=CCNC(=O)[C@@H]1C=C(OC)C(=O)C[C@@H]2c3ccccc3C[C@]21C ZINC000299813829 EF Annotated Mild CN1CC[C@H]2C[C@H]1CN(C(=O)Oc1ccc(Br)cc1)C2 ZINC000299815051 EF Annotated Anodyne CN1C[C@H]2CC[C@H]1[C@@H](CNC(=O)c1ccc(Br)cc1)C2 ZINC000299815531 EF Annotated Anodyne CN1C[C@H]2CC[C@H]1[C@H](CNC(=O)c1ccc(Br)cc1)C2 ZINC000299815532 EF Annotated Anodyne CC(C)(Br)[C@H](Br)CC[C@@]1([C@H]2CO2)CO1 ZINC000299816254 EF Annotated Reactive CC(C)(Br)[C@H](Br)CC[C@]1([C@H]2CO2)CO1 ZINC000299816255 EF Annotated Reactive COc1ccc2[nH]c(C)cc(=NN=Cc3ccc([N+](=O)[O-])o3)c2c1 ZINC000299817963 EF Annotated Mild CO[C@@]12CCN(C)C[C@H]1[C@H](c1ccc3ccccc3c1)C(C#N)=C(N)O2 ZINC000299818526 EF Annotated Reactive COc1cc(O)cc2c1C(=O)O[C@@H](C)CC[C@H]1CC[C@H](CC(=O)C2)O1 ZINC000299818705 EF Annotated Anodyne COc1cc(O)cc2c1C(=O)O[C@@H](C)CC[C@H]1CC[C@@H](CC(=O)C2)O1 ZINC000299818716 EF Annotated Anodyne CCn1c(Nc2ccncc2F)nc2c(CCCO)csc2c1=O ZINC000299819234 EF Annotated Anodyne O=S(=O)(CCCCl)NCCNc1cccc2ccccc12 ZINC000299819852 EF Annotated Reactive COC[C@@H]1CN(c2noc3cc(OCCCCF)ccc23)C(=O)O1 ZINC000299819899 EF Annotated Anodyne CCCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000299820565 EF Annotated Reactive Nc1cccc(Nc2nccnc2NS(=O)(=O)c2ccccc2)c1 ZINC000299821715 EF Annotated Anodyne CCn1c(Nc2ccncc2F)nc2c([C@@H](C)O)csc2c1=O ZINC000299822199 EF Annotated Anodyne CCn1c(Nc2ccncc2F)nc2c([C@H](C)O)csc2c1=O ZINC000299822201 EF Annotated Anodyne C/C=C1/CN2CC(=O)c3c4n(c5ccccc35)[C@H](C(=O)OC)[C@H]1C[C@@H]42 ZINC000299822208 EF Annotated Anodyne O=C1COc2ccccc2N1CCCn1cc(-c2ccccc2)nn1 ZINC000299822342 EF Annotated Anodyne COc1ccc(NC(=O)CSc2nc3cnccc3[nH]2)cc1OC ZINC000299822351 EF Annotated Anodyne CNC(=O)c1c(NC(C)C)c2cccnc2n2c(C(C)C)nnc12 ZINC000299822654 EF Annotated Anodyne CC1CCN(S(=O)(=O)c2cccc(-c3ccc(O)cc3)n2)CC1 ZINC000299823094 EF Annotated Anodyne CC1(C)CCc2c(cc(O)c(C(=O)c3cc(O)cc(O)c3)c2O)O1 ZINC000299823225 EF Annotated Anodyne OCCNc1c(-c2nc3ccccc3[nH]2)c(O)nc2sccc12 ZINC000299823291 EF Annotated Anodyne CCOC(=O)CCCNc1cnc2c3c(ccnc13)C=C(OC)C2=O ZINC000299823304 EF Annotated Mild CC1(C)CCc2c(cc(O)c(C(=O)c3ccc(O)c(O)c3)c2O)O1 ZINC000299823408 EF Annotated Clean CCn1c(S)nnc1Cc1nc(O)c2c3c(sc2n1)CCCC3 ZINC000299823483 EF Annotated Anodyne Nc1ncccc1-c1ccc2nc(C(=O)NCc3ccco3)cn2c1 ZINC000299823743 EF Annotated Anodyne C[C@H]1OC[C@H]2[C@@H]3Cc4c(n(C)c5ccccc45)[C@@H]4C[C@H]2[C@H]1[C@@H](O)[N@+]43C ZINC000299824636 EF Annotated Bother C[C@H]1OC[C@H]2[C@@H]3Cc4c(n(C)c5ccccc45)[C@@H]4C[C@H]2[C@H]1[C@@H](O)[N@@+]43C ZINC000299824643 EF Annotated Bother CCn1c(Nc2ccncc2F)nc2c(C(C)(C)O)csc2c1=O ZINC000299825220 EF Annotated Anodyne CNC(=O)Nc1ncc(SCCCO)cc1Oc1cccnc1C ZINC000299825468 EF Annotated Anodyne Cc1ccc(N(C)c2nc(N)nc(Nc3ccc(C#N)cc3)n2)c(C)n1 ZINC000299825586 EF Annotated Mild COc1ccc(OC)c(NC2=CC(=O)C3=C(OC(C)(C)C3)C2=O)c1 ZINC000299825713 EF Annotated Mild Clc1ncn(-c2csc(N3CCOCC3)n2)c1Br ZINC000299825800 EF Annotated Anodyne Clc1c(Br)ncn1-c1csc(N2CCOCC2)n1 ZINC000299825863 EF Annotated Anodyne CCn1nccc1Oc1cc(CCCCOC)cnc1NC(=O)NC ZINC000299826356 EF Annotated Anodyne N#Cc1cccc(C(=O)Nc2cncc(Oc3cncc(F)c3)n2)c1 ZINC000299826732 EF Annotated Mild COc1ccc(/C=C2/C(=O)N3C(C(=O)O)=C(C(C)(C)C)O[C@@H]23)cc1 ZINC000299827006 EF Annotated Anodyne COc1ccc(/C=C2/C(=O)N3C(C(=O)O)=C(C(C)(C)C)O[C@H]23)cc1 ZINC000299827013 EF Annotated Anodyne Cc1csc(C(=O)Nc2cncc(Oc3cncc(F)c3)n2)n1 ZINC000299827279 EF Annotated Anodyne CC1=C(O)C(=O)C[C@@]2(C)[C@H]1CC[C@@]1(CO)c3cnccc3C(=O)C[C@@H]12 ZINC000299827290 EF Annotated Mild CCNC(=O)c1c(NC(C)C)c2cccnc2n2c(C(C)C)nnc12 ZINC000299827800 EF Annotated Anodyne C=C1CC[C@@H]2C(=C(C)C)C(=O)C[C@@]2(C)C[C@@H](O)[C@](C)(O)CC[C@@H]1O ZINC000299829807 EF Annotated Mild C[C@@H]1OC[C@H]2[C@@H]3Cc4c([nH]c5ccccc45)[C@H](C[C@H]2[C@@H]1CO)N3C ZINC000299829909 EF Annotated Anodyne NCCNc1c(-c2nc3ccccc3[nH]2)c(O)nc2sccc12 ZINC000299830067 EF Annotated Anodyne O=C1C=C[C@H]2c3c(ccc(O)c31)-c1ccc(O)c3c1[C@H]2[C@H]1O[C@H]1C3=O ZINC000299830358 EF Annotated Mild Cc1nc(Nc2nc(C)c3cc4c(cc3n2)OCO4)nc(O)c1C ZINC000299830652 EF Annotated Anodyne COc1cccc(/C=C2/C(=O)N3C(C(=O)O)=C(C(C)(C)C)O[C@@H]23)c1 ZINC000299831210 EF Annotated Anodyne COc1cccc(/C=C2/C(=O)N3C(C(=O)O)=C(C(C)(C)C)O[C@H]23)c1 ZINC000299831213 EF Annotated Anodyne O=C(c1cccnc1)c1cc2c(s1)C(=O)c1c(O)cccc1C2=O ZINC000299831330 EF Annotated Clean O=C(Cc1ccc(-c2ccccc2)cc1)[C@@H]1Cc2cncn2C(=O)N1 ZINC000299831381 EF Annotated Anodyne CCOC(=O)c1c(N)sc(/N=C/c2ccncc2)c1C(=O)OCC ZINC000299831548 EF Annotated Mild CCc1noc(-c2cc3c(s2)C(=O)c2c(O)cccc2C3=O)n1 ZINC000299831561 EF Annotated Clean CC1=C2[C@@H](C[C@@H]3[C@]4(CC[C@@H]5C(C)(C)CC[C@H](O)[C@@]35C)O[C@H]24)OC1=O ZINC000299832432 EF Annotated Anodyne C=CC(=O)NC/C=C/c1cc(OC)cc(O)c1C(=O)O[C@@H](C)C(C)C ZINC000299832677 EF Annotated Anodyne CCc1ccc(C(=O)/C(=N\C2CCCC2)n2ncc(C#N)c2N)cc1 ZINC000299832742 EF Annotated Mild Cc1ccc(NC(=S)Nn2c(S)nnc2-c2ccncc2)cc1 ZINC000299832872 EF Annotated Anodyne CN(C)CCC[C@]1(C(=O)/C=C/c2ccc(N(C)C)cc2)CCOC1=O ZINC000299833097 EF Annotated Mild CN(C)CCC[C@@]1(C(=O)/C=C/c2ccc(N(C)C)cc2)CCOC1=O ZINC000299833098 EF Annotated Mild CCN(CC)C(=O)c1cc2c(s1)C(=O)c1c(O)cccc1C2=O ZINC000299833228 EF Annotated Clean CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]1n1cc(CCl)nn1 ZINC000299833500 EF Annotated Reactive CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H]1n1cc(CCl)nn1 ZINC000299833502 EF Annotated Reactive COc1ccc2c(c1)CN1c3ccc(OC)cc3CN2C1N(C)C ZINC000299833702 EF Annotated Clean N#Cc1ccccc1-n1cc(COc2ccc3oc(=O)ccc3c2)nn1 ZINC000299833798 EF Annotated Mild CCCOC(=O)Cc1ccc2c(c1O)C(=O)c1sccc1C2=O ZINC000299834788 EF Annotated Clean CCCc1cn([C@@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)nn1 ZINC000299835038 EF Annotated Mild CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc3c(c2)NCCC3)cc1 ZINC000299835334 EF Annotated Anodyne CCCc1cn([C@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)nn1 ZINC000299835396 EF Annotated Mild CCN(CC)CC[C@]1(C(=O)/C=C/c2ccc(O)cc2)CCOC1=O ZINC000299835423 EF Annotated Mild CCN(CC)CC[C@@]1(C(=O)/C=C/c2ccc(O)cc2)CCOC1=O ZINC000299835425 EF Annotated Mild CCc1ncccc1Oc1cc(CCCCO)cnc1NC(=O)NC ZINC000299835720 EF Annotated Anodyne CCCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccc(F)cc3)[C@@H]2C1 ZINC000299837264 EF Annotated Reactive CNC(=O)CC[C@@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 ZINC000299837296 EF Annotated Anodyne CNC(=O)CC[C@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 ZINC000299837299 EF Annotated Anodyne C/C=C/C(=O)NC/C=C/c1cc(OC)cc(O)c1C(=O)OC(C)C ZINC000299837337 EF Annotated Anodyne COC(=O)C(CC1=NO[C@@H]2CCC[C@@H]2[C@H]1c1ccccc1)C(=O)OC ZINC000299837718 EF Annotated Anodyne Cc1cc(OC/C=C/CN2CCOCC2)nc(-c2ccccc2)n1 ZINC000299838350 EF Annotated Anodyne CC[C@@H](C)[C@H]1C=C[C@H]2[C@H](O)[C@H](O)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)/C=C/OC ZINC000299838847 EF Annotated Mild O=C1c2c3c(cc(O)c2[C@H](O)[C@@H]2O[C@H]12)-c1ccc(O)c2c(O)ccc-3c12 ZINC000299838905 EF Annotated Anodyne Nc1nc(O)c2nc(SCc3ccccc3C(F)(F)F)[nH]c2n1 ZINC000299840155 EF Annotated Anodyne CC(C)C1=CC2=C[C@H](O)[C@H]3C(C)(C)[C@@H](O)C=C[C@]3(C)C2=C(O)C1=O ZINC000299840294 EF Annotated Mild CC(C)C1=CC2=C[C@H](O)[C@H]3C(C)(C)[C@H](O)C=C[C@]3(C)C2=C(O)C1=O ZINC000299840295 EF Annotated Mild NC(=O)Nc1nc2cc(-c3cncc(F)c3)cc(-c3ncccn3)c2[nH]1 ZINC000299840974 EF Annotated Anodyne CCCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccc(C)cc3)[C@@H]2C1 ZINC000299841329 EF Annotated Reactive Fc1ccc(CN2CCO[C@H]3[C@H](OCCN4CCCC4)CC[C@H]32)cc1 ZINC000299841656 EF Annotated Anodyne Cc1nc(CN2CCO[C@H]3C[C@H](COc4ccccn4)C[C@H]32)cs1 ZINC000299841682 EF Annotated Anodyne Cc1nc(CN2CCO[C@H]3C[C@@H](COc4ccccn4)C[C@H]32)cs1 ZINC000299841683 EF Annotated Anodyne Cc1ccc(CN2C[C@H]3CCCO[C@@H]3[C@H](NC(=O)CC3CC3)C2)s1 ZINC000299841690 EF Annotated Anodyne Cc1nc(CO[C@H]2CN(Cc3ccsc3)[C@H]3COC[C@@H]23)cs1 ZINC000299841719 EF Annotated Anodyne CN(Cc1ccco1)[C@H]1CN(Cc2nccs2)C[C@H]2CCCO[C@@H]12 ZINC000299841723 EF Annotated Anodyne CN1CC[C@]2(CN(Cc3nccs3)C[C@@H]2c2ccccc2)C1=O ZINC000299841725 EF Annotated Anodyne CN(Cc1ccco1)C[C@H]1OC[C@H]2CCN(Cc3ccccn3)C[C@H]21 ZINC000299841731 EF Annotated Anodyne Cc1cccc(CO[C@@H]2CC[C@@H]3[C@H]2OCCN3Cc2cc(C)on2)n1 ZINC000299841734 EF Annotated Anodyne Cc1cnc(N2C[C@@H]3[C@@H](CCC[C@H]3N(C)Cc3ccccn3)C2)nc1 ZINC000299841763 EF Annotated Anodyne c1cc(COC[C@@]23COC[C@@H]2CN(Cc2ccsc2)C3)ccn1 ZINC000299841806 EF Annotated Anodyne CC1CCN(C(=O)[C@H]2CC[C@H]3[C@@H](CCN3Cc3nccs3)O2)CC1 ZINC000299841832 EF Annotated Anodyne CN1C[C@@H](COCC2CC2)[C@H]2CCN(Cc3ccco3)CC[C@@H]2C1=O ZINC000299841859 EF Annotated Anodyne Cc1noc(C)c1CN1C[C@H](N(C)Cc2ccco2)[C@@H]2OCCC[C@@H]21 ZINC000299841861 EF Annotated Anodyne Cn1ccnc1NC[C@H]1CCC[C@H]2CN(Cc3cccnc3)C[C@@H]12 ZINC000299841893 EF Annotated Anodyne Cc1ncsc1CN1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@H]21 ZINC000299841899 EF Annotated Anodyne Cc1cccc(CN2C[C@@H](OCc3csc(C)n3)[C@H]3COC[C@H]32)n1 ZINC000299841916 EF Annotated Anodyne O=C(NCc1cccs1)[C@H]1CC[C@H]2[C@@H](CCN2CC2CCC2)O1 ZINC000299841919 EF Annotated Anodyne CC[C@H]1N(Cc2nccs2)CCC[C@]12CCC(=O)N2CCOC ZINC000299841923 EF Annotated Anodyne Cc1cccc(CN2CC[C@H]3[C@@H]2CCN3C(=O)Cc2ccsc2)n1 ZINC000299841930 EF Annotated Anodyne Cc1cnc(N2C[C@H]3[C@@H](N(C)Cc4ccccn4)CCC[C@H]3C2)nc1 ZINC000299841935 EF Annotated Anodyne CN(C)[C@H]1CCN(C(=O)Cc2ccc(F)cc2)[C@@H]1Cc1ccncc1 ZINC000299841945 EF Annotated Anodyne CC(C)N(C)C[C@H]1OC[C@H]2CCN(Cc3cccc(C#N)c3)C[C@H]21 ZINC000299841949 EF Annotated Mild O=C(C1=CCCCC1)N1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@H]21 ZINC000299841955 EF Annotated Anodyne O=C([C@H]1CCO[C@H]2CCN(Cc3ccsc3)C[C@H]21)N1CCCC1 ZINC000299841958 EF Annotated Anodyne CCC1=N[C@]2(CC[C@H]3CN(Cc4ccc(Cl)cc4)C[C@H]32)C(=O)N1 ZINC000299841963 EF Annotated Anodyne COc1ccc(CN2C[C@H]3CN(c4ccsc4)C(=O)[C@@H]3C2)cc1 ZINC000299841964 EF Annotated Anodyne Cc1cccc(CN2CCO[C@H]3C[C@H](COc4ccccn4)C[C@H]32)n1 ZINC000299841984 EF Annotated Anodyne Cc1cccc(CN2CCO[C@H]3C[C@@H](COc4ccccn4)C[C@H]32)n1 ZINC000299841985 EF Annotated Anodyne Cc1cccc(CO[C@H]2CC[C@H]3[C@@H]2OCCN3Cc2nccs2)n1 ZINC000299842005 EF Annotated Anodyne O=C(c1ccsc1)N1CCO[C@H]2CN(Cc3cccs3)C[C@@H]2C1 ZINC000299842041 EF Annotated Anodyne c1ccc(CN2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@@H]32)nc1 ZINC000299842062 EF Annotated Anodyne Cc1cccc(CN2C[C@H]3C[C@@]3(NC(=O)c3cccc(F)c3)C2)n1 ZINC000299842089 EF Annotated Anodyne Cc1cccc(CN2C[C@@H]3C[C@@]3(NC(=O)c3cccc(F)c3)C2)n1 ZINC000299842090 EF Annotated Anodyne O=C(c1cccc(F)c1)N1CC[C@H]2[C@@H]1CCN2CC1CCOCC1 ZINC000299842117 EF Annotated Anodyne Cc1cccc(CN2CC[C@H]3[C@@H]2CCN3C(=O)Cc2cccs2)n1 ZINC000299842140 EF Annotated Anodyne c1cncc(CN2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@@H]32)c1 ZINC000299842147 EF Annotated Anodyne O=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@@H]2N(Cc2ccsc2)C1 ZINC000299842154 EF Annotated Anodyne O=C(NCC1CC1)[C@H]1CCO[C@H]2CCN(Cc3ccsc3)C[C@H]21 ZINC000299842187 EF Annotated Anodyne c1ccc(COC[C@H]2CC[C@H]3[C@@H](CCN3Cc3ccccn3)O2)nc1 ZINC000299842220 EF Annotated Anodyne Cc1cnc(N2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)nc1 ZINC000299842273 EF Annotated Anodyne CN(Cc1ccco1)C[C@H]1OC[C@H]2CCN(Cc3cccnc3)C[C@H]21 ZINC000299842292 EF Annotated Anodyne COCCN(C)C[C@H]1CCC[C@H]2CN(Cc3ccc(OC)nc3)C[C@@H]12 ZINC000299842293 EF Annotated Anodyne Cc1ccsc1CN1C[C@H]2OCCN(Cc3cccnc3)C[C@@H]2C1 ZINC000299842295 EF Annotated Anodyne CCN1CC[C@]2(CN(Cc3nccs3)C[C@@H]2c2ccccc2)C1=O ZINC000299842341 EF Annotated Anodyne O=C(NCc1cccs1)[C@H]1CC[C@H]2[C@@H](CCN2Cc2ccoc2)O1 ZINC000299842346 EF Annotated Anodyne Cc1noc(C)c1CN1CCO[C@H]2[C@H](Oc3ncccc3F)CC[C@H]21 ZINC000299842374 EF Annotated Anodyne Cc1cc(CN2C[C@@H](OCC3CCOCC3)[C@H]3COC[C@H]32)oc1C ZINC000299842390 EF Annotated Anodyne Cc1nc(CN2CCO[C@H]3[C@H](OCc4ccccn4)CC[C@H]32)cs1 ZINC000299842397 EF Annotated Anodyne CC(C)N1[C@@H](Cn2cncn2)C[C@H]2CN(Cc3ccsc3)CC[C@H]21 ZINC000299842437 EF Annotated Anodyne Cc1cccc(COC[C@H]2CC[C@H]3[C@@H](CCN3C(=O)CC3CC3)O2)n1 ZINC000299842458 EF Annotated Anodyne Cc1cc(CN2CCO[C@H]3[C@H](OCc4csc(C)n4)CC[C@H]32)no1 ZINC000299842460 EF Annotated Anodyne CN(C)C[C@H]1CCC[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]12 ZINC000299842468 EF Annotated Anodyne CC1CCN(C(=O)[C@H]2C[C@H]3OCC[C@@H]3N(Cc3ccoc3)C2)CC1 ZINC000299842508 EF Annotated Anodyne Cc1ccc(N2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)nn1 ZINC000299842574 EF Annotated Anodyne Cc1noc(C)c1CN1C[C@H]2CCCO[C@@H]2[C@H](Nc2ccccn2)C1 ZINC000299842636 EF Annotated Anodyne COc1cccc(CN2C[C@H]3COC[C@@]3(COc3cccnc3)C2)c1 ZINC000299842649 EF Annotated Anodyne c1cnn(C[C@@H]2C[C@H]3CN(CC4CC4)CC[C@@H]3N2c2nccs2)c1 ZINC000299842651 EF Annotated Anodyne Cc1nc(CN2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@H]32)cs1 ZINC000299842656 EF Annotated Anodyne CN(Cc1ccco1)[C@H]1CN(Cc2cccnc2)[C@H]2CCCO[C@@H]12 ZINC000299842659 EF Annotated Anodyne COc1ccc(CN2C[C@H]3COC[C@@]3(COc3cccnc3)C2)cc1 ZINC000299842662 EF Annotated Anodyne CC1=N[C@]2(CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C(=O)N1CC1CC1 ZINC000299842676 EF Annotated Anodyne Cc1cccc(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@H]32)n1 ZINC000299842681 EF Annotated Anodyne CN(Cc1cccnc1)C[C@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@@H]12 ZINC000299842684 EF Annotated Anodyne O=C(C1=CCCC1)N1CCC[C@@]2(C[C@@H](Oc3ncccc3F)CO2)C1 ZINC000299842730 EF Annotated Anodyne Cc1ccsc1CN1C[C@H]2COC[C@@]2(CNC(=O)c2ccco2)C1 ZINC000299842874 EF Annotated Anodyne Cc1ccc(C(=O)N2CCO[C@H]3[C@H](OCc4ccccn4)CC[C@H]32)o1 ZINC000299842875 EF Annotated Anodyne Cc1nc(CO[C@H]2CN(Cc3cccs3)[C@H]3COC[C@@H]23)cs1 ZINC000299842878 EF Annotated Anodyne Cc1cccc(CN2CCC[C@H]3CN(C(=O)c4ccco4)C[C@H]32)n1 ZINC000299842882 EF Annotated Anodyne O=C(C1CCOCC1)N1C[C@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@@H]2C1 ZINC000299842903 EF Annotated Anodyne Cc1occc1C(=O)N1CCO[C@H]2[C@H](OCc3ccccn3)CC[C@H]21 ZINC000299842909 EF Annotated Anodyne c1cncc(COC[C@H]2CC[C@H]3[C@@H](CCN3CC3CCOCC3)O2)c1 ZINC000299842916 EF Annotated Anodyne c1cncc(COC[C@@H]2CC[C@H]3[C@@H](CCN3CC3CCOCC3)O2)c1 ZINC000299842917 EF Annotated Anodyne O=C(c1ccc(F)cc1)N1CC[C@H]2[C@@H]1CCN2CC1CCOCC1 ZINC000299842919 EF Annotated Anodyne Cc1nc(COC[C@H]2CC[C@H]3[C@@H](CCN3c3ncccn3)O2)cs1 ZINC000299842955 EF Annotated Anodyne Fc1cnc(N2C[C@H]3O[C@@H](c4nc(C5CC5)cs4)C[C@@H]3C2)nc1 ZINC000299842958 EF Annotated Anodyne O=C(NC1CCC1)[C@H]1CC[C@H]2[C@@H](CCN2CCc2ccccc2)O1 ZINC000299842964 EF Annotated Anodyne Cc1ccc(CN2CC[C@H]3OCC[C@H](C(=O)NCC4CC4)[C@@H]3C2)s1 ZINC000299842965 EF Annotated Anodyne Cc1cccc(CN2CC[C@H]3[C@@H]2CCN3C(=O)c2ccoc2C)n1 ZINC000299843035 EF Annotated Anodyne Cc1ncsc1CN1C[C@H]2CCCO[C@@H]2[C@H](Nc2ccccn2)C1 ZINC000299843063 EF Annotated Anodyne CN(Cc1ccco1)C[C@H]1OC[C@H]2CCN(Cc3ccncc3)C[C@H]21 ZINC000299843077 EF Annotated Anodyne CN(Cc1ccco1)[C@H]1CN(Cc2ccccn2)C[C@H]2CCCO[C@@H]12 ZINC000299843093 EF Annotated Anodyne CN(Cc1ccco1)[C@H]1CN(CC2CCOCC2)C[C@H]2CCCO[C@@H]12 ZINC000299843120 EF Annotated Anodyne c1cncc(COC[C@H]2CC[C@H]3[C@@H](CCN3Cc3nccs3)O2)c1 ZINC000299843123 EF Annotated Anodyne Cn1cccc1C(=O)N1C[C@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@@H]2C1 ZINC000299843128 EF Annotated Anodyne Cn1ccnc1NC[C@H]1CCC[C@H]2CN(Cc3nccs3)C[C@@H]12 ZINC000299843185 EF Annotated Anodyne CC(C)N1CC[C@H]2[C@@H](C[C@@H](Cn3cccn3)N2c2nccs2)C1 ZINC000299843206 EF Annotated Anodyne CC(C)C[C@@H](N)C(=O)N1CC2(CCNCC2)c2cc(Cl)ccc21 ZINC000299843218 EF Annotated Anodyne c1ccc(COC[C@H]2CC[C@H]3[C@@H](CCN3Cc3cccnc3)O2)nc1 ZINC000299843225 EF Annotated Anodyne c1ccc(CN2CC[C@H]3O[C@@H](COCc4ccncc4)CC[C@@H]32)nc1 ZINC000299843246 EF Annotated Anodyne CC(C)N1[C@@H](Cn2cncn2)C[C@H]2CN(Cc3cccs3)CC[C@H]21 ZINC000299843294 EF Annotated Anodyne CCc1ccc(CN2CC[C@H]3[C@@H]2CC(=O)N3Cc2cccc(C)n2)o1 ZINC000299843305 EF Annotated Anodyne CO[C@H]1CCN(Cc2c(C)noc2C)[C@H]2CN(Cc3ccco3)C[C@@H]12 ZINC000299843307 EF Annotated Anodyne O=C1[C@H]2CCN(Cc3ccoc3)C[C@@H]2OCCN1c1ccccc1 ZINC000299843315 EF Annotated Anodyne Cc1nc(CO[C@H]2CC[C@H]3[C@@H]2OCCN3Cc2cccnc2)cs1 ZINC000299843439 EF Annotated Anodyne Cc1cccc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC000299843456 EF Annotated Anodyne CO[C@H]1CCN(Cc2cccs2)[C@H]2CN(Cc3ccncc3)C[C@@H]12 ZINC000299843524 EF Annotated Anodyne Cc1nc(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@H]32)cs1 ZINC000299843549 EF Annotated Anodyne COc1ccc(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@H]32)cc1 ZINC000299843560 EF Annotated Anodyne Cc1nc(COC[C@@]23COC[C@@H]2CN(Cc2ccoc2)C3)cs1 ZINC000299843561 EF Annotated Anodyne COc1ccccc1CN1C[C@H]2COC[C@@]2(COc2cccnc2)C1 ZINC000299843643 EF Annotated Anodyne Cc1ccccc1CN1C[C@H](C(=O)N2CCCCO2)C[C@H]2OCC[C@H]21 ZINC000299843667 EF Annotated Anodyne CN(Cc1ccco1)C[C@H]1OC[C@H]2CN(Cc3nccs3)CC[C@@H]12 ZINC000299843673 EF Annotated Anodyne Cc1cccc(CO[C@H]2CN(c3nnc(C)s3)[C@H]3CCCO[C@@H]23)n1 ZINC000299843680 EF Annotated Anodyne Cc1occc1C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000299843686 EF Annotated Anodyne O=C(NC[C@H]1OC[C@H]2CCN(Cc3ccco3)C[C@H]21)c1ccsc1 ZINC000299843721 EF Annotated Anodyne O=C(c1cscn1)N1C[C@H]2CCC[C@@H](OCc3cccnc3)[C@@H]2C1 ZINC000299843724 EF Annotated Anodyne O=C(c1cscn1)N1C[C@H]2CCC[C@H](OCc3cccnc3)[C@@H]2C1 ZINC000299843725 EF Annotated Anodyne Cc1ccsc1C(=O)N1C[C@H]2OCCN(Cc3ccoc3)C[C@@H]2C1 ZINC000299843768 EF Annotated Anodyne CN(Cc1cccnc1)C[C@H]1OC[C@H]2CN(Cc3ccco3)CC[C@@H]12 ZINC000299843786 EF Annotated Anodyne Cc1cccc(CN2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@H]32)n1 ZINC000299843796 EF Annotated Anodyne Cc1nc(CO[C@H]2CN(Cc3ccccn3)[C@H]3CCCO[C@@H]23)cs1 ZINC000299843800 EF Annotated Anodyne Cc1cccc(N2CC[C@H]3[C@@H](CN(C)Cc4ccco4)OC[C@H]3C2)n1 ZINC000299843803 EF Annotated Anodyne CN(Cc1ccco1)[C@H]1CN(Cc2cccnc2)C[C@H]2CCCO[C@@H]12 ZINC000299843854 EF Annotated Anodyne Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3CC2CCOCC2)cc1F ZINC000299843884 EF Annotated Anodyne COC[C@H]1CN(CC2CC2)C(=O)[C@H]2CCN(Cc3ccoc3)CC[C@H]21 ZINC000299843899 EF Annotated Anodyne CN(Cc1ccco1)[C@H]1CN(Cc2ccncc2)C[C@H]2CCCO[C@@H]12 ZINC000299843906 EF Annotated Anodyne CC(C)COC[C@H]1CC[C@H]2[C@@H](CCN2C(=O)c2ccncc2F)O1 ZINC000299843908 EF Annotated Anodyne O=C(c1ccsc1)N1CCO[C@H]2CN(Cc3ccco3)CC[C@@H]2C1 ZINC000299843920 EF Annotated Anodyne c1ccc(CO[C@H]2CO[C@]3(CCCN(Cc4cccnc4)C3)C2)nc1 ZINC000299843934 EF Annotated Anodyne C[C@@H]1OC[C@H]2[C@@H]3C=C4C(=Nc5ccccc54)[C@H](C[C@H]2[C@@H]1CO)[N@+]3(C)[O-] ZINC000299844828 EF Annotated Bother O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc(Br)cn1 ZINC000299846067 EF Annotated Anodyne S=C1NN[C@]2(C[C@@H](c3ccccc3)O[C@@H](c3ccccc3)C2)N1 ZINC000299846383 EF Annotated Anodyne C[B@@-]1(c2ccc(C(F)(F)F)cc2)N[C@@H](Cc2ccccc2)C(=O)O1 ZINC000299847582 EF Annotated Anodyne C[B@-]1(c2ccc(C(F)(F)F)cc2)N[C@@H](Cc2ccccc2)C(=O)O1 ZINC000299847583 EF Annotated Anodyne CCc1cc(C)cc(CC)c1[C@H]1C(=O)N2C[C@H](C)O[C@H](C)CN2C1=O ZINC000299847599 EF Annotated Clean CC1=C(C(=O)c2ccccc2)[C@H]([C@@H]2C=N[C@H]3C=CC=C[C@H]32)NC(=O)N1 ZINC000299847993 EF Annotated Mild CC1=C(C(=O)c2ccccc2)[C@H]([C@@H]2C=N[C@@H]3C=CC=C[C@H]32)NC(=O)N1 ZINC000299847995 EF Annotated Mild CC(=O)O[C@]12c3ccccc3-c3ccccc3[C@@H]1[C@H]1C(=O)OC(=O)[C@H]12 ZINC000299849033 EF Annotated Reactive CC(=O)O[C@]12c3ccccc3-c3ccccc3[C@@H]1[C@@H]1C(=O)OC(=O)[C@H]12 ZINC000299849036 EF Annotated Reactive CCc1cc(C)cc(CC)c1[C@@H]1C(=O)N2[C@@H](C)COC[C@@H](C)N2C1=O ZINC000299849043 EF Annotated Clean CCOC(=O)/C=C(/C)C[C@H]1OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)CO1 ZINC000299849059 EF Annotated Anodyne Nc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc2c(c1)OCCO2 ZINC000299849362 EF Annotated Clean CN[C@@H]1C[C@H](O)[C@](C)(c2ccc(-c3ccccc3)cc2)O[C@@H]1OC ZINC000299849795 EF Annotated Anodyne CN[C@@H]1C[C@H](O)[C@@](C)(c2ccc(-c3ccccc3)cc2)O[C@H]1OC ZINC000299849796 EF Annotated Anodyne CN[C@@H]1C[C@H](O)[C@](C)(c2ccc(-c3ccccc3)cc2)O[C@H]1OC ZINC000299849797 EF Annotated Anodyne OC[C@H]1CCCN1c1nccc(-c2cncnc2C2CCCCC2)n1 ZINC000299849841 EF Annotated Anodyne OCCNc1nccc(-c2cn3nccc3nc2C2CCCCC2)n1 ZINC000299849849 EF Annotated Anodyne CC(C)CNc1nccc(-c2cnc3sc(Cl)cn3c2=O)n1 ZINC000299849860 EF Annotated Anodyne CN(c1nccc(-c2cnc3sccn3c2=O)n1)C1CCCCC1 ZINC000299849862 EF Annotated Anodyne CC(C)NC(=O)NCc1cc(-c2ccco2)n(CC(F)(F)F)n1 ZINC000299849880 EF Annotated Anodyne CN1CCN(c2nccc(-c3cncnc3C3CCCCC3)n2)CC1 ZINC000299849883 EF Annotated Anodyne O=C1Nc2ccccc2[C@@]12[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@H]1CCCN12 ZINC000299849927 EF Annotated Bother O=C1Nc2ccccc2[C@@]12[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@H]1CCCN12 ZINC000299849928 EF Annotated Bother Cc1ncc(-c2ccnc(NCCc3ccc(F)cc3)n2)c(O)n1 ZINC000299850228 EF Annotated Anodyne CC[C@@H](CO)Nc1nccc(-c2c[nH]c3cc(C(=O)OC)ccc23)n1 ZINC000299850231 EF Annotated Anodyne COc1ccccc1-c1cc(C(=O)N2CCCC2)c2cnn(C)c2n1 ZINC000299850232 EF Annotated Anodyne O=C1CN(CC2CC2)Cc2nc(NCCc3ccccn3)sc21 ZINC000299850236 EF Annotated Anodyne CCNc1nc2c(s1)C(=O)CN(C(=O)NCCc1ccccc1)C2 ZINC000299850244 EF Annotated Anodyne CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(-c2cnc(N(C)C)nc2)c1 ZINC000299850251 EF Annotated Anodyne O=C(C1CCCC1)N1C[C@@]2(CCN(C3COC3)C2)Cc2ccccc21 ZINC000299850284 EF Annotated Anodyne O=C(C1CCCC1)N1C[C@]2(CCN(C3COC3)C2)Cc2ccccc21 ZINC000299850285 EF Annotated Anodyne Cc1cccc(CN2CCC[C@]3(Cc4ccccc4CNC3=O)C2)n1 ZINC000299850290 EF Annotated Anodyne Cc1cccc(CN2CCC[C@@]3(Cc4ccccc4CNC3=O)C2)n1 ZINC000299850291 EF Annotated Anodyne CNc1cncc([C@@H]2CCCN2C(=O)CCn2ccnc2C(C)C)n1 ZINC000299850371 EF Annotated Anodyne CNc1cncc([C@H]2CCCN2C(=O)CCn2ccnc2C(C)C)n1 ZINC000299850372 EF Annotated Anodyne Cc1noc(C)c1-c1cncc([C@@H]2CCCN2Cc2cncnc2)n1 ZINC000299850380 EF Annotated Anodyne Cc1noc(C)c1-c1cncc([C@H]2CCCN2Cc2cncnc2)n1 ZINC000299850381 EF Annotated Anodyne CC(=O)N1N=C(c2ccccc2)O[C@H]1C(=O)NCCC1=CCCCC1 ZINC000299850391 EF Annotated Anodyne CC(=O)N1N=C(c2ccccc2)O[C@@H]1C(=O)NCCC1=CCCCC1 ZINC000299850393 EF Annotated Anodyne Cc1noc(C)c1-c1cccc(C2CCN(CC(=O)N(C)C)CC2)n1 ZINC000299850453 EF Annotated Anodyne Cc1cn[nH]c1[C@@H]1COCCN1C(=O)c1ccc2c(c1)CCCC2 ZINC000299850470 EF Annotated Anodyne Cc1cn[nH]c1[C@H]1COCCN1C(=O)c1ccc2c(c1)CCCC2 ZINC000299850471 EF Annotated Anodyne C[C@H]1C[C@]12C(=O)OC(=O)C1=C(C(=O)C[C@H]3C(C)(C)CCC[C@]13C)[C@H]2O ZINC000299850633 EF Annotated Reactive C[C@@H]1C[C@@]12C(=O)OC(=O)C1=C(C(=O)C[C@H]3C(C)(C)CCC[C@]13C)[C@H]2O ZINC000299850634 EF Annotated Reactive CCn1cc(C(=O)N2C[C@H]3C[C@H](Oc4ccccc4)C[C@H]3C2)cn1 ZINC000299850716 EF Annotated Anodyne O=C1C[C@]2(CCN(C(=O)C3CCCCC3)C2)Nc2ccccc2N1 ZINC000299850979 EF Annotated Anodyne O=C1C[C@@]2(CCN(C(=O)C3CCCCC3)C2)Nc2ccccc2N1 ZINC000299850982 EF Annotated Anodyne CCc1ccc(NC(=O)[C@@H]2OC(c3cccs3)=NN2C(C)=O)cc1 ZINC000299851019 EF Annotated Anodyne CCc1ccc(NC(=O)[C@H]2OC(c3cccs3)=NN2C(C)=O)cc1 ZINC000299851020 EF Annotated Anodyne CC(=O)N1CCC(c2nc(C)cc(-c3ccccc3C(=O)O)n2)CC1 ZINC000299851133 EF Annotated Anodyne CSc1nc(N)c2c(n1)N=C1COC(O)=C1[C@@H]2c1cccc(O)c1 ZINC000299851517 EF Annotated Anodyne CSc1nc(N)c2c(n1)N=C1COC(O)=C1[C@H]2c1cccc(O)c1 ZINC000299851518 EF Annotated Anodyne CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)c2cccs2)C1 ZINC000299851551 EF Annotated Anodyne CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2cccs2)C1 ZINC000299851552 EF Annotated Anodyne O=C1Nc2ccccc2CN(C/C=C/c2ccccc2)[C@]12CCNC2 ZINC000299851752 EF Annotated Anodyne O=C1Nc2ccccc2CN(C/C=C/c2ccccc2)[C@@]12CCNC2 ZINC000299851753 EF Annotated Anodyne CS(=O)(=O)N1C[C@]2(CCCN(CC3CC3)C2)Cc2ccccc21 ZINC000299851765 EF Annotated Anodyne CS(=O)(=O)N1C[C@@]2(CCCN(CC3CC3)C2)Cc2ccccc21 ZINC000299851766 EF Annotated Anodyne CC(C)(O)CN1CCC(=O)N(Cc2ccco2)Cc2cc(F)ccc21 ZINC000299851794 EF Annotated Anodyne CO[C@H]1CN(C(=O)NC2CCCC2)CCC(=O)N(C)c2ccccc21 ZINC000299852204 EF Annotated Anodyne CO[C@@H]1CN(C(=O)NC2CCCC2)CCC(=O)N(C)c2ccccc21 ZINC000299852205 EF Annotated Anodyne COc1ccccc1C(=O)N1CC(Cc2nccc3ccn(C)c23)C1 ZINC000299852439 EF Annotated Anodyne Cc1ccc(C)c(-n2ncc(C(=O)N(C)CCc3ccccn3)c2N)c1 ZINC000299852484 EF Annotated Anodyne O=c1n(Cc2cn3ccc(Cl)cc3n2)c2cnccc2n1C1CC1 ZINC000299852699 EF Annotated Anodyne CC1=C(C)[C@@H]2CC(=O)C3=C(C(=O)C(=O)[C@]4(C[C@@H]4C)[C@@H]3O)[C@@]2(C)CC1 ZINC000299852722 EF Annotated Mild CC(=O)N1N=C(c2cccs2)O[C@H]1C(=O)Nc1ccc(C)cc1 ZINC000299852823 EF Annotated Anodyne CC(=O)N1N=C(c2cccs2)O[C@@H]1C(=O)Nc1ccc(C)cc1 ZINC000299852824 EF Annotated Anodyne CC(=O)N[C@H]1Cc2c(n(Cc3ccccn3)c3ccc(C#N)cc23)C1 ZINC000299853963 EF Annotated Mild CC(C)CN1C(=O)C(C(=O)c2ccccc2)C(=O)N(CC(C)C)C1=O ZINC000299855005 EF Annotated Anodyne COc1nccc(N2CCC(N(C)Cc3ccc(C)cc3)CC2)n1 ZINC000299857305 EF Annotated Anodyne COc1cc(CN2C(=O)c3ccc(C)cc3C2=O)cc(OC)c1OC ZINC000299857431 EF Annotated Anodyne CCc1nnc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)n1CC ZINC000299857832 EF Annotated Anodyne CCc1nnc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)n1CC ZINC000299857833 EF Annotated Anodyne Nc1nn(C(=O)c2cccs2)c(N)c1/N=N/c1ccc(O)cc1 ZINC000299858596 EF Annotated Clean CC(C)CN1C(=O)C(=Cc2ccc(O)cc2)C(=O)N(CC(C)C)C1=O ZINC000299859063 EF Annotated Clean Cc1ccc(Cl)cc1-c1cn(-c2cc(N)ncn2)cc1C(N)=O ZINC000299859212 EF Annotated Anodyne Nc1nc(O)c2nc(-c3c[nH]c4cccc(Br)c34)[nH]c2n1 ZINC000299861267 EF Annotated Anodyne CC(C)CN1C(=O)C(Cc2ccc(O)cc2)C(=O)N(CC(C)C)C1=O ZINC000299861474 EF Annotated Anodyne COc1nccc(N2CCC(N(C)Cc3cccc(F)c3)CC2)n1 ZINC000299861489 EF Annotated Anodyne CO[C@H]1CCN(C(=O)C2CCCC2)CC(=O)N(C)c2ccccc21 ZINC000299861683 EF Annotated Anodyne CO[C@@H]1CCN(C(=O)C2CCCC2)CC(=O)N(C)c2ccccc21 ZINC000299861684 EF Annotated Anodyne Cn1cc(Cn2cnc(-c3cnn(C)c3)c2-c2ccc(C#N)cc2)cn1 ZINC000299861976 EF Annotated Mild O=C(c1cccc(N2CCCCC2)n1)N(C1CC1)[C@@H]1CC[C@H](O)CC1 ZINC000299862324 EF Annotated Anodyne O=C(c1cccc(N2CCCCC2)n1)N(C1CC1)[C@@H]1CC[C@@H](O)CC1 ZINC000299862325 EF Annotated Anodyne CCN(c1ccc2c(c1)OCCO2)c1nc(=O)c2cccnc2s1 ZINC000299862459 EF Annotated Anodyne O=C(NCc1ccc2cc(C(=O)NO)sc2c1F)c1ccco1 ZINC000299862843 EF Annotated Anodyne COc1cc([C@](C)(O)c2ncnc3ccccc23)cc(OC)c1OC ZINC000299863334 EF Annotated Anodyne COc1cc([C@@](C)(O)c2ncnc3ccccc23)cc(OC)c1OC ZINC000299863335 EF Annotated Anodyne C[S@](=O)c1cc(-c2cccc(OC(F)(F)F)c2)nc(O)c1C#N ZINC000299863585 EF Annotated Mild CCC(=O)[C@@H](C(C)=O)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000299864142 EF Annotated Bother CCC(=O)[C@H](C(C)=O)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000299864143 EF Annotated Bother COc1cc(N2CCC(N(C)Cc3ccc(C)cc3)CC2)ncn1 ZINC000299865229 EF Annotated Anodyne COc1ccccc1Sc1nc2c(N)ncn(CCCC#N)c-2n1 ZINC000299865806 EF Annotated Mild CO[C@H]1CN(C(=O)OCC(C)C)CCC(=O)N(C)c2ccccc21 ZINC000299866083 EF Annotated Anodyne CO[C@@H]1CN(C(=O)OCC(C)C)CCC(=O)N(C)c2ccccc21 ZINC000299866085 EF Annotated Anodyne C[S@](=O)c1cc(-c2cccc(Br)c2)nc(O)c1C#N ZINC000299867334 EF Annotated Mild C[S@@](=O)c1cc(-c2cccc(Br)c2)nc(O)c1C#N ZINC000299867335 EF Annotated Mild COC(=O)C[C@H]1Nc2ccccc2-c2ccc3c(c21)C(=O)C(=O)N3C ZINC000299868227 EF Annotated Anodyne COC(=O)C[C@@H]1Nc2ccccc2-c2ccc3c(c21)C(=O)C(=O)N3C ZINC000299868228 EF Annotated Anodyne CCCSC(=S)N1CCN(C(=S)Nc2cccnc2)CC1 ZINC000299868513 EF Annotated Anodyne CC(C)Cc1ccc([N+](=O)[O-])c2[nH]c(C(=O)O)c(CCC(=O)O)c12 ZINC000299869327 EF Annotated Bother COc1cc(OC)c2c(C)c(C(=O)C(=O)N3CCCCC3)[nH]c2c1 ZINC000299869396 EF Annotated Anodyne COc1cc(OC)c2c(C)c(C)[nH]c2c1C(=O)C(=O)N1CCCCC1 ZINC000299869674 EF Annotated Anodyne COc1ccc2c(c1)CC(=O)N2[C@@H](C(=O)NC(C)(C)C)C(C)(C)C ZINC000299870537 EF Annotated Anodyne COc1ccc2c(c1)CC(=O)N2[C@H](C(=O)NC(C)(C)C)C(C)(C)C ZINC000299870538 EF Annotated Anodyne C=CCc1ccc(OCc2cn(-c3ccccc3CO)nn2)c(O)c1 ZINC000299871415 EF Annotated Mild CC1=CC[C@@H]2[C@]3(C)[C@@H](C[C@@H]4OC(=O)C=C1[C@]42C)C(C)(C)C[C@H](O)[C@@H]3O ZINC000299873040 EF Annotated Anodyne CC1=CC[C@@H]2[C@@]3(C)[C@@H](O)[C@@H](O)CC(C)(C)[C@H]3C[C@@H]3OC(=O)C=C1[C@]32C ZINC000299873041 EF Annotated Anodyne CCCCCCO[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]21 ZINC000299875175 EF Annotated Anodyne CCCCCCO[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@H]21 ZINC000299875176 EF Annotated Anodyne C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2CN2CCCCC2)[C@@H]2[C@@H]1C[C@H]1O[C@]21C ZINC000299875250 EF Annotated Anodyne C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2CN2CCCCC2)[C@@H]2[C@@H]1C[C@H]1O[C@@]21C ZINC000299875251 EF Annotated Anodyne C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2CN2CCCCC2)[C@@H]2[C@@H]1C[C@@H]1O[C@]12C ZINC000299875252 EF Annotated Anodyne C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2CN2CCCCC2)[C@@H]2[C@@H]1C[C@@H]1O[C@@]12C ZINC000299875253 EF Annotated Anodyne C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2O)CON=C1c1ccc(Cl)cc1 ZINC000299876293 EF Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 ZINC000299880124 EF Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@]1(C)CON=C1c1ccc(Cl)cc1 ZINC000299882378 EF Annotated Anodyne CC1=CC[C@]23O[C@]2(C)CC[C@@H]2[C@H](CN4CCCCC4)C(=O)O[C@H]2[C@H]13 ZINC000299884699 EF Annotated Anodyne CC1=CC[C@]23O[C@]2(C)CC[C@H]2[C@H](OC(=O)[C@H]2CN2CCCCC2)[C@H]13 ZINC000299884700 EF Annotated Anodyne CC1=CC[C@]23O[C@]2(C)CC[C@H]2[C@H](OC(=O)[C@H]2CN2CCCCC2)[C@@H]13 ZINC000299884701 EF Annotated Anodyne CC1=CC[C@]23O[C@]2(C)CC[C@@H]2[C@H](CN4CCCCC4)C(=O)O[C@H]2[C@@H]13 ZINC000299884702 EF Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@]1(C)CON=C1c1cccc(Cl)c1 ZINC000299886235 EF Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 ZINC000299886429 EF Annotated Anodyne C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2O)CON=C1c1cccc(Cl)c1 ZINC000299886547 EF Annotated Anodyne CCOc1ccc(NC(=O)[C@H]2CSC(c3ccncc3)=N2)cc1 ZINC000003030094 EF Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2CSC(c3ccncc3)=N2)cc1 ZINC000003030096 EF Annotated Anodyne Cc1cc(C)c2c(=O)n(CC(=O)Nc3cccc(F)c3)sc2n1 ZINC000003030664 EF Annotated Anodyne Cc1cc(C)n2nc(SCC(=O)N[C@H]3CCC[C@H](C)[C@H]3C)nc2n1 ZINC000003039276 EF Annotated Anodyne O=C(O)c1ccc(Cn2c(=S)[nH]c3ccc(F)cc3c2=O)cc1 ZINC000003043401 EF Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C=CCN4CC[C@@]5(c6ccccc6N[C@]15[C@@H]2C)[C@@H]43 ZINC000003114722 EF Annotated Anodyne CCOC(=O)/C(=C/SCC#N)OP(=S)(OCC)OCC ZINC000003156938 EF Annotated Reactive N#Cc1c(=O)c2nc(NCc3ccccc3)ncc2n2ccccc12 ZINC000003171649 EF Annotated Mild Nc1c(-c2ccccc2)c(CN2CCOCC2)nn1-c1ccccc1 ZINC000003194062 EF Annotated Anodyne N=C(NNC(=O)c1cccs1)c1cc2cc(Cl)ccc2oc1=O ZINC000003198264 EF Annotated Reactive COc1ccc([C@H]2COc3c(ccc(O)c3OC)C2)c(OC)c1O ZINC000003198912 EF Annotated Anodyne in-vitro biogenic O=C(CN1CCCc2ccccc21)N/N=C/c1ccc(F)cc1F ZINC000003202157 EF Annotated Reactive COc1ccc2c(c1)O[C@@]1(O)COc3cc(OC)c(OC)cc3C1=C2 ZINC000003203887 EF Annotated Anodyne in-vitro COc1ccc2c(c1)O[C@]1(O)COc3cc(OC)c(OC)cc3C1=C2 ZINC000003203889 EF Annotated Anodyne in-vitro CCOc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1 ZINC000003212678 EF Annotated Anodyne Cc1ccc(NC(=O)/C(C#N)=N/Nc2ccc(C(=O)O)cc2)c(C)c1 ZINC000003230978 EF Annotated Mild Cn1cnnc1SCC(=O)NN(c1ccccc1)c1ccccc1 ZINC000003243887 EF Annotated Reactive Cc1cc(C)n2c(SCC(=O)N[C@H]3CCC[C@@H](C)[C@H]3C)nnc2n1 ZINC000003243907 EF Annotated Anodyne COc1ccc(/C=N/N2CCOCC2)cc1OCc1ccccc1 ZINC000003248184 EF Annotated Mild COc1cc(/C=N/N2CCOCC2)ccc1OCc1ccccc1 ZINC000003249626 EF Annotated Mild C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccc3c(c2)OCCO3)CCC[C@H]1C ZINC000003299895 EF Annotated Anodyne CC(C)(C)C(=O)NC(NC(=O)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000003303197 EF Annotated Bother CC[C@H]1CCCCN1Cc1nc2ccccc2c(=O)n1CC(C)=O ZINC000003310757 EF Annotated Anodyne CC[C@@H]1CCCCN1Cc1nc2ccccc2c(=O)n1CC(C)=O ZINC000003310758 EF Annotated Anodyne Cc1c(/C=N/NC(N)=O)c2ccccn2c1C(=O)c1ccc(F)cc1 ZINC000003311426 EF Annotated Reactive Cc1ccccc1OCC(=O)OCC(=O)N[C@H]1CCC[C@H](C)[C@H]1C ZINC000003316575 EF Annotated Anodyne CCOc1ccccc1/C=N/OCC(=O)NCc1ccc(F)cc1 ZINC000003320702 EF Annotated Mild COC(=O)c1ccc(/C=N/OCc2ccc(C(=O)OC)cc2)cc1 ZINC000003320834 EF Annotated Mild C[C@H]1C[C@H]1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000003336369 EF Annotated Anodyne C[C@@H]1C[C@H]1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000003336370 EF Annotated Anodyne C[C@H]1C[C@@H]1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000003336372 EF Annotated Anodyne C[C@@H]1C[C@@H]1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000003336374 EF Annotated Anodyne CN(CCc1ccccn1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000003358638 EF Annotated Anodyne Cc1cc(NC(=O)CSc2nc3ccccc3n2CCC#N)no1 ZINC000003386440 EF Annotated Mild CCCNC(=O)COC(=O)c1cccnc1Nc1ccccc1F ZINC000003425624 EF Annotated Anodyne CCN(CC(=O)NCc1cccs1)C(=O)CCOc1ccccc1 ZINC000003449125 EF Annotated Anodyne C/C(=C/C=C(/O)C(=O)O)C(=O)CC[C@@H]1C(=O)CC[C@]2(C)C(=O)CC[C@@H]12 ZINC000030725506 EF Annotated Mild in-vitro C=C[C@@]1(C)C[C@H]2OC(=O)[C@@H](C)[C@H]2[C@]12C(=O)Oc1cccc(C)c1C2=O ZINC000031161139 EF Annotated Mild C=C[C@@](C)(O)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H](O)[C@]2(C)O ZINC000031162066 EF Annotated Mild C=C1C(=O)O[C@@H]2C=C(C)CC/C=C(/COC(C)=O)C[C@@H](OC(C)=O)[C@@H]12 ZINC000031740363 EF Annotated Anodyne C[C@@H]1C(=O)C[C@@]23COC(=O)C2=CCC[C@H]3[C@@]1(C)CC[C@@H]1COC(=O)C1 ZINC000031771953 EF Annotated Anodyne in-vitro biogenic O=C1OC(c2ccccc2)(c2ccccc2)C[C@@H]1CN1CCOCC1 ZINC000031830095 EF Annotated Anodyne O=C1OC(c2ccccc2)(c2ccccc2)C[C@H]1CN1CCOCC1 ZINC000031830096 EF Annotated Anodyne CCN1CC[C@@](O)(c2ccc(O)cc2)[C@@H](C(=O)c2ccc(O)cc2)C1 ZINC000031852373 EF Annotated Anodyne CN(C)CCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=N)c12 ZINC000031852800 EF Annotated Bother C[C@H](Cc1ccccc1)N(C)Cc1nc([C@@H]2CC[C@@H]([N+](=O)[O-])O2)no1 ZINC000031853980 EF Annotated Bother C/C=C\[C@H](CC(=O)NCC(=O)c1c[nH]c2ccccc12)CC(=O)OC ZINC000031898090 EF Annotated Anodyne C/C=C\[C@@H](CC(=O)NCC(=O)c1c[nH]c2ccccc12)CC(=O)OC ZINC000031898094 EF Annotated Anodyne C[C@]12C[C@H](c3ccccc3O1)[C@@H](C(=O)Nc1cccc(F)c1)C(=O)N2 ZINC000031905185 EF Annotated Anodyne C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)Nc1cccc(F)c1)C(=O)N2 ZINC000031905186 EF Annotated Anodyne CC(C)(C)OC(=O)N1C/C=C/C(=O)C2(OCCO2)c2ccccc21 ZINC000031905836 EF Annotated Mild CC1=NN(c2nc(N)nc(-c3cc4ccccc4oc3=N)n2)C(C)(C)C1 ZINC000031909227 EF Annotated Anodyne C[C@@H]1CCCCCCCCCC[C@H](O)[C@@H](O)[C@@H](O)CCC(=O)O1 ZINC000032137310 EF Annotated Anodyne COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(OC)cc2O)cc1O ZINC000032205576 EF Annotated Anodyne C[C@]12CCC[C@@]3(C)[C@H]1[C@@H](C[C@@]1(CO1)[C@]3(O)CCc1ccoc1)OC2=O ZINC000032296446 EF Annotated Anodyne in-vitro biogenic CC1=CC(=O)[C@@H]2[C@@H](C)CO[C@]3(C)[C@H]4O[C@@H](C/C(C)=C\C[C@H]3O)[C@H]1[C@@H]42 ZINC000032296505 EF Annotated Mild CC1=C(C=O)[C@H]2[C@H](C1)C(=O)C(CO)=CC[C@]2(C)C/C=C/C(C)(C)O ZINC000032302165 EF Annotated Reactive in-vitro biogenic Nc1cccnc1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000322105365 EF Annotated Anodyne Cc1cc2c(=O)n([C@@H](C)c3nc(-c4ccccn4)no3)cnc2s1 ZINC000032519418 EF Annotated Anodyne Cc1cc2c(=O)n([C@H](C)c3nc(-c4ccccn4)no3)cnc2s1 ZINC000032519419 EF Annotated Anodyne CCSc1nc(CC(=O)N2CCc3[nH]nc(CC)c3C2)cs1 ZINC000032541351 EF Annotated Anodyne COc1cccc(-c2cnc(N)cn2)c1C(=O)N(C(C)C)C(C)C ZINC000032590214 EF Annotated Anodyne Cc1cc(C)n(CCC(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000033320049 EF Annotated Reactive CC(/C=N\n1c(S)nnc1-c1[nH]nc2c1CCC2)=C\c1ccco1 ZINC000033332441 EF Annotated Mild O=C1/C(=C/c2ccc(Cl)cc2)NC(=S)N1CN1CCCCC1 ZINC000033493215 EF Annotated Anodyne Oc1cccc2c1[C@H](O)[C@H]1O[C@H]1C21Oc2cccc3cccc(c23)O1 ZINC000033504016 EF Annotated Anodyne in-vitro biogenic COc1cc(C)nc(N2C(=O)CS[C@@H]2c2c(F)cccc2F)n1 ZINC000033504940 EF Annotated Anodyne COc1cc(C)nc(N2C(=O)CS[C@H]2c2c(F)cccc2F)n1 ZINC000033504942 EF Annotated Anodyne C[C@H]1C(=O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC[C@H]1COC(=O)C1 ZINC000033657341 EF Annotated Anodyne O=C(N/N=C\c1ccc2cccnc2c1)c1nc(O)c2ccccc2n1 ZINC000033737636 EF Annotated Reactive CCCCOC(=O)[C@H](F)[C@@H](Br)C(=O)OCCCC ZINC000033815055 EF Annotated Reactive CCCCOC(=O)[C@H](Br)[C@H](F)C(=O)OCCCC ZINC000033815056 EF Annotated Reactive COCON1C(=O)C(CC(C)C)=N/C(=C\c2cccc(F)c2)C1=O ZINC000033818896 EF Annotated Anodyne COCON1C(=O)C(CC(C)C)=N/C(=C\c2ccccc2F)C1=O ZINC000033818897 EF Annotated Anodyne c1ccc2c(c1)CCc1ccccc1C2N1CC(N2CCOCC2)C1 ZINC000033828610 EF Annotated Anodyne CO[C@]1(c2ccccc2)c2cc(Cl)ccc2NC(=O)CN1[N+](=O)[O-] ZINC000033829252 EF Annotated Anodyne CO[C@@]1(c2ccccc2)c2cc(Cl)ccc2NC(=O)CN1[N+](=O)[O-] ZINC000033829254 EF Annotated Anodyne COc1ccc(-c2nnc(Nc3ccc4c(c3)OCCO4)o2)c(N)c1 ZINC000033829721 EF Annotated Anodyne Nc1cc2c(cc1-c1nnc(Nc3ccc4c(c3)OCO4)o1)OCO2 ZINC000033829723 EF Annotated Anodyne O=C1O[C@H](c2nccc3cc4c(cc23)OCO4)c2cc3c(cc21)OCO3 ZINC000033831887 EF Annotated Anodyne in-vitro biogenic C=CCC1=C[C@@]2(OC)[C@@H](O)[C@@H](C1=O)[C@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000033832107 EF Annotated Mild COC(=O)c1c2c(c3ccccc3c1O)OC(C)(C)[C@H](O)[C@H]2OC ZINC000033832518 EF Annotated Anodyne in-vitro biogenic COC(=O)c1c2c(c3ccccc3c1O)OC(C)(C)[C@@H](O)[C@H]2OC ZINC000033832519 EF Annotated Anodyne CC(C)C/C(NNC(=O)c1ccncc1)=C1/C=C(Cl)C=CC1=O ZINC000033838996 EF Annotated Reactive C/C=C1/CN[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@H]2C(=O)OC ZINC000033849104 EF Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](C)NC(=O)C1=CC(C)(C)NC1(C)C ZINC000033877630 EF Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](C)NC(=O)C1=CC(C)(C)NC1(C)C ZINC000033877631 EF Annotated Anodyne CN(C)/C=N/C(=O)c1c2n(c3c(-c4ccccc4)ncnc13)CCC2 ZINC000033892466 EF Annotated Mild CC(NN1CCN(Cc2ccccc2Cl)CC1)=C1C=CC(=O)C=C1 ZINC000033896089 EF Annotated Mild C[C@]12CC[C@@H]3C[C@]1(C[C@@]3(C)O)[C@H](O)C[C@H]1[C@@]23CCC[C@@]1(C)C(=O)O3 ZINC000033913420 EF Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2)C=C2C(=C(C(C)C)C(=O)[C@@H]2C)CN1 ZINC000033913675 EF Annotated Mild COC(=O)[C@]1(Cc2ccccc2)C=C2C(=C(C(C)C)C(=O)[C@H]2C)CN1 ZINC000033913676 EF Annotated Mild COC(=O)[C@@]1(Cc2ccccc2)C=C2C(=C(C(C)C)C(=O)[C@@H]2C)CN1 ZINC000033913677 EF Annotated Mild CCC[C@]1(C(=O)OC)C=C2C(=C(c3ccccc3)C(=O)[C@H]2C)CN1 ZINC000033913693 EF Annotated Mild CCC[C@@]1(C(=O)OC)C=C2C(=C(c3ccccc3)C(=O)[C@H]2C)CN1 ZINC000033913694 EF Annotated Mild CCC[C@]1(C(=O)OC)C=C2C(=C(c3ccccc3)C(=O)[C@@H]2C)CN1 ZINC000033913695 EF Annotated Mild CCC[C@@]1(C(=O)OC)C=C2C(=C(c3ccccc3)C(=O)[C@@H]2C)CN1 ZINC000033913696 EF Annotated Mild CO[C@@H]1COC(=O)CCC[C@H](C)[C@@H](OC)COC(=O)C/C=C/[C@H]1C ZINC000033943485 EF Annotated Anodyne CO[C@H]1COC(=O)CCC[C@H](C)[C@@H](OC)COC(=O)C/C=C/[C@@H]1C ZINC000033943489 EF Annotated Anodyne CCN(c1ccc2c(c1)OCO2)c1nc(=O)c2cccnc2s1 ZINC000033981722 EF Annotated Anodyne Nc1nc(-c2cccs2)c2nnn(Cc3ccccc3F)c2n1 ZINC000034005381 EF Annotated Anodyne COc1c(O)c(C)c(O)c2c1OC[C@H](Cc1ccc(O)cc1)C2=O ZINC000034007384 EF Annotated Anodyne in-vitro biogenic COc1c(O)c(C)c(O)c2c1OC[C@@H](Cc1ccc(O)cc1)C2=O ZINC000034007385 EF Annotated Anodyne in-vitro biogenic O=C(Oc1cccc(Br)c1)N1CCN2CCC1CC2 ZINC000034020275 EF Annotated Anodyne C[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 ZINC000034021403 EF Annotated Anodyne C/C1=C/[C@]23O[C@H]2[C@H](C)C[C@@H]3C(=O)[C@]2(C)C(=O)CC(C)(C)[C@H]2CC1=O ZINC000034028725 EF Annotated Mild Nc1nc(-c2ccco2)c2nnn(Cc3cccc(Cl)c3)c2n1 ZINC000034042110 EF Annotated Anodyne CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000034053435 EF Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@@H]2C(=O)C2=C[C@H](O)[C@@H](C)[C@](C)(CC1)[C@@]2(C)O ZINC000034059388 EF Annotated Mild C=C1C[C@H]2O[C@H]2[C@@](C)(O)CC[C@H]2[C@H]1CO[C@@]2(/C=C/C=C(C)C)CO ZINC000034059399 EF Annotated Mild CC[C@H](O)C#CC#C[C@@H](O)/C=C\CCCCCCCCOC(C)=O ZINC000034073084 EF Annotated Mild COc1cc(/C=C(\C#N)n2nnc3ccccc32)cc(OC)c1OC ZINC000034073986 EF Annotated Reactive C/C=C(/C)C(=O)O[C@@H]1c2cc(C(C)=O)c(OC)cc2O[C@@H]1C(C)(C)O ZINC000034075165 EF Annotated Anodyne in-vitro biogenic C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)C[C@@H](Br)C(=O)[C@@H](C)[C@H]21 ZINC000034093527 EF Annotated Reactive COc1cc(O)cc(C(=O)c2cc(C)cc(OC)c2OC)c1C=O ZINC000034093615 EF Annotated Anodyne Cc1cc(C)cc(NC(=O)CN2CCC(c3cccc[n+]3[O-])CC2)c1 ZINC000034094190 EF Annotated Anodyne CCOC(=O)C1=C(C)/C(=C(\C)NNC(=O)c2cc(C)oc2C)N=C1C ZINC000034106394 EF Annotated Reactive CCOC(=O)C1=C(C)/C(=C(\C)NNC(=O)c2cccs2)N=C1C ZINC000034107153 EF Annotated Reactive CC(=O)C1=C(O)N2[C@@H](C1=O)[C@H]1c3c[nH]c4cccc(c34)C[C@@H]1C2(C)C ZINC000034115088 EF Annotated Mild in-vivo CC(=O)C1=C(O)N2[C@H](C1=O)[C@@H]1c3c[nH]c4cccc(c34)C[C@@H]1C2(C)C ZINC000034123609 EF Annotated Mild CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)SCC(=O)N2 ZINC000034145518 EF Annotated Anodyne COc1ccc(O[C@H]2[C@H](/C=C\C#Cc3ccccc3)OC[C@H]2O)cc1 ZINC000034148416 EF Annotated Anodyne COc1ccc(O[C@H]2[C@H](/C=C/C#Cc3ccccc3)OC[C@H]2O)cc1 ZINC000034148418 EF Annotated Mild CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)CCC[C@@H]1C ZINC000034149311 EF Annotated Anodyne C[C@@H](C[C@H](C)CCCC[C@H](O)[C@H](C=O)CO)C[C@@H](C)CC(=O)O ZINC000034150379 EF Annotated Mild in-vivo COc1ccc2c(c1)OC[C@]1(O)Cc3cc(OC)c(OC)cc3[C@H]21 ZINC000034165779 EF Annotated Anodyne CC1(C)O[C@H](C#N)C[C@H](C[C@]2(C#N)C[C@H](CCl)OC(C)(C)O2)O1 ZINC000034172385 EF Annotated Reactive C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)C[C@@H](Br)C(=O)[C@@H](C)[C@H]21 ZINC000034182777 EF Annotated Reactive C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC(=O)[C@@]1(C=COC1)O2 ZINC000034189855 EF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@H]2CC[C@H](O)[C@H](C)[C@@]12C ZINC000034189981 EF Annotated Anodyne CC(C)=CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O ZINC000034199210 EF Annotated Anodyne CC(C)=CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O ZINC000034199212 EF Annotated Anodyne CC(C)=CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1O ZINC000034199214 EF Annotated Anodyne CC(C)=CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1O ZINC000034199216 EF Annotated Anodyne CCOC1=C/C(=C2/C=C(c3ccccc3)NC(N)=C2C#N)C=CC1=O ZINC000034209448 EF Annotated Reactive CCOC1=C/C(=C2/C=C(c3ccc(C)cc3)NC(N)=C2C#N)C=CC1=O ZINC000034209452 EF Annotated Reactive CCOC1=C/C(=C2/C=C(c3ccc(C)o3)NC(N)=C2C#N)C=CC1=O ZINC000034209460 EF Annotated Reactive C=C1CCCC(C)(C)[C@@H]2CC[C@@](C)([C@@H]3COC(=O)[C@@H](O)[C@H]3CO)[C@H]12 ZINC000034239645 EF Annotated Mild CC(C)[C@H]1CC[C@@](C)(O)[C@@H]2[C@H]3C[C@](C)(O)CCC[C@@](C)(O)[C@H](O3)[C@@H]21 ZINC000034304941 EF Annotated Anodyne COc1ccc2c(c1)O[C@@H]1c3cc(OC)c(OC)cc3CO[C@H]1[C@@H]2O ZINC000034319206 EF Annotated Anodyne CN1CCN(CCC#Cc2ccc(CN3CCCCC3)cc2)CC1 ZINC000034322295 EF Annotated Mild Cc1nn(CCO)c(C)c1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000034335157 EF Annotated Anodyne COC1=CC=C2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CC[N+]3(C)C)[C@H]1O5 ZINC000034360864 EF Annotated Bother O=[S@]1NC(Cc2cc3cc(Br)ccc3s2)=NO1 ZINC000034371874 EF Annotated Mild O=[S@@]1NC(Cc2cc3cc(Br)ccc3s2)=NO1 ZINC000034371876 EF Annotated Mild CC[C@@H](OC)/C(C)=C/C[C@@H](C)/C=C1\CN2CCC[C@H]2[C@@](C)(O)[C@@H]1O ZINC000034385889 EF Annotated Anodyne C[C@@H]1OC[C@H]2[C@@H]3Cc4c(n(C)c5ccccc45)[C@H](C[C@H]2[C@H]1C=O)N3C ZINC000034386051 EF Annotated Mild C=C1CC[C@@H]2C(C)(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@@](C)(O)[C@H](O)CO ZINC000034429908 EF Annotated Mild C/C=C1/CN(CCO)[C@H]2C[C@@H]1[C@H](C(=O)OC)n1c2cc2ccccc21 ZINC000034433145 EF Annotated Anodyne COC[C@@]1(O)CC[C@@H]2C1=C[C@@H]1C(=C(C(C)C)C(=O)[C@H]1C)C[C@H](O)[C@@H]2C ZINC000034470410 EF Annotated Mild CCn1ncc(OCc2nnc(-c3ccccc3)o2)c(Cl)c1=O ZINC000034502979 EF Annotated Anodyne CN1CCN(Cc2ccc(Cl)cc2Cl)[C@H](CC2=NCCN2)C1 ZINC000034511968 EF Annotated Anodyne C=C[C@H]1C(=C)CC[C@H]2[C@H]1C[C@H]1OC(=O)[C@@]3(C)[C@H](O)CC[C@@]2(C)[C@@]13O ZINC000034533905 EF Annotated Mild Cc1ccc2c(c1)O[C@@H]1O[C@]3(CC[C@]21O)c1ccc(C)cc1O[C@H]3O ZINC000034550699 EF Annotated Anodyne CC(=O)[C@]1(CC[C@H](C)CCO)[C@@H](O)C[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000034579736 EF Annotated Anodyne COc1ccc2c(c1O)Oc1c(OC)ccc3c1[C@H](C2)N(C)C[C@@H]3O ZINC000034628345 EF Annotated Anodyne CC[C@@H]1CO[C@@H](O)[C@@H]2[C@@H]3Cc4c(n(C)c5ccccc45)[C@H](C[C@@H]12)N3 ZINC000034646033 EF Annotated Anodyne COc1c2c(c(O)c3nccnc13)C(=O)N(Cc1ccc(F)cc1)C2 ZINC000034646762 EF Annotated Anodyne Oc1cc(O)c(-c2[nH]ncc2N2CCNCC2)cc1-c1ccccc1 ZINC000034717859 EF Annotated Anodyne C[C@@H]1CN2C[C@H]3CCC4=CC(=O)[C@@H]5CC[C@@]6(C(=O)[C@@H]1C[C@@H]2[C@@]36C)[C@H]45 ZINC000034773233 EF Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)O[C@]2(CO)COC(=O)[C@H]12 ZINC000034800356 EF Annotated Mild O=C(O)COc1ccc(/C=C2\C(=O)ON=C2c2cccs2)cc1 ZINC000034800392 EF Annotated Mild CCC[C@@H](CC1(C(=O)NCc2nnc(C)s2)CCCC1)C(=O)O ZINC000034803411 EF Annotated Anodyne CCC[C@H](CC1(C(=O)NCc2nnc(C)s2)CCCC1)C(=O)O ZINC000034803415 EF Annotated Anodyne CCOC(=O)[C@H]1C(C)(C)[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000034817103 EF Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000034817218 EF Annotated Anodyne CCOC(=O)[C@H]1[C@H](CC)[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000034817247 EF Annotated Anodyne CCOC(=O)[C@H]1[C@@H](CC)[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000034817249 EF Annotated Anodyne Nc1nc(NCCO)c2ccc(-c3ccccc3C(F)(F)F)nc2n1 ZINC000034844251 EF Annotated Anodyne Cc1cc2c(=O)n(CC(=O)NCCC3=CCCCC3)cnc2s1 ZINC000034861265 EF Annotated Anodyne CNCc1cc(-c2ccccc2C)n(S(=O)(=O)c2cccnc2)c1 ZINC000034891499 EF Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2CCC[C@@H]1c1cn[nH]c1C2 ZINC000034891634 EF Annotated Anodyne COc1ccc(C(C)=O)cc1CN1C(=O)NC2(CCCCC2)C1=O ZINC000003505367 EF Annotated Anodyne COc1cc(SC)ccc1C(=O)NNC(=O)c1cc(C)oc1C ZINC000003559912 EF Annotated Reactive CC(C)=CC(=O)O[C@H]1[C@@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000003585514 EF Annotated Anodyne in-vitro biogenic CC(C)=CC(=O)O[C@@H]1[C@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000003585519 EF Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1[C@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000003585521 EF Annotated Anodyne O=S(=O)(Cc1ccc(-c2ccccc2)cc1)c1cccc[n+]1[O-] ZINC000003586991 EF Annotated Anodyne COc1ccc(NC2=CC(=O)c3nc(-c4ccccn4)[nH]c3C2=O)cc1 ZINC000003588205 EF Annotated Mild C=CCN1CC[C@H](c2cc(C(=O)OCC)[nH]c2-c2cc(C)no2)C1=O ZINC000003588465 EF Annotated Mild O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1cccc(O)c1 ZINC000003589264 EF Annotated Anodyne O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc(O)cc1 ZINC000003589271 EF Annotated Anodyne C=CCN1/C(=C(\C#N)c2nc3ccccc3[nH]2)Sc2c1nc[nH]c2=O ZINC000003589388 EF Annotated Reactive COc1cc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1 ZINC000003590188 EF Annotated Anodyne Cc1cc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1 ZINC000003590249 EF Annotated Anodyne in-vivo CCN(CC)CCn1c2cc3c(cc2c(=O)c2cccnc21)OCO3 ZINC000003593487 EF Annotated Bother CCCCCCCc1nnn(CC#CI)n1 ZINC000003596938 EF Annotated Mild Cn1c(CNc2ccc(-c3n[nH]c(=S)n3C)cc2)n[nH]c1=S ZINC000003597230 EF Annotated Anodyne C[N+]1(CCCOC(=O)C2(c3ccccc3)CCCC2)CCOCC1 ZINC000003635325 EF Annotated Bother CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c2c1O[C@H](C(C)(C)O)C2 ZINC000003641332 EF Annotated Anodyne CC(=O)c1c(O)c2c(c(C(=O)CC(C)C)c1O)O[C@H](C(C)(C)O)C2 ZINC000003641335 EF Annotated Anodyne C=C(C)[C@H](O)Cc1c(O)c(C(C)=O)c(O)c(C(=O)CC(C)C)c1O ZINC000003641338 EF Annotated Mild CC(=O)NCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000003641548 EF Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1O ZINC000003644322 EF Annotated Anodyne O=C1C[C@H](C(=O)Nc2ccccc2C(=O)O)[C@H](c2ccccc2)O1 ZINC000003646795 EF Annotated Anodyne O=C1C[C@H](C(=O)Nc2ccccc2C(=O)O)[C@@H](c2ccccc2)O1 ZINC000003646798 EF Annotated Anodyne O=C1C[C@@H](C(=O)Nc2ccccc2C(=O)O)[C@H](c2ccccc2)O1 ZINC000003646800 EF Annotated Anodyne O=C1C[C@@H](C(=O)Nc2ccccc2C(=O)O)[C@@H](c2ccccc2)O1 ZINC000003646802 EF Annotated Anodyne CC1(C)Oc2cc(Br)sc2[C@@H](N2CCCC2=O)[C@@H]1O ZINC000003775115 EF Annotated Anodyne COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)C[C@@H](C)[C@H]3O ZINC000003781993 EF Annotated Clean C[C@]1(CO)C(=O)[C@H](O)C[C@@]2(C)[C@H]1CC[C@@]1(C)c3cocc3CC[C@@H]12 ZINC000003782797 EF Annotated Anodyne C[C@]1(CO)[C@H](O)C(=O)C[C@@]2(C)[C@H]1CC[C@@]1(C)c3cocc3CC[C@@H]12 ZINC000003782801 EF Annotated Anodyne CN1CCC(N2C(=O)c3cccc4c(N)c(Cl)cc(c34)C2=O)CC1 ZINC000003785942 EF Annotated Anodyne COC[C@H]1CN(c2ccc3nc([C@@H](O)CCC#N)sc3c2)C(=O)O1 ZINC000003794343 EF Annotated Mild investigational COC1(/C=C/COCc2ccc3c(ccc(=O)n3C)c2)CCOCC1 ZINC000003801245 EF Annotated Anodyne C[C@@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(-n4ccnc4)c(c32)S1 ZINC000003801944 EF Annotated Anodyne C[C@]12CCC[C@]3(COC1=O)[C@@H]2CC[C@@]12C[C@@H](CC[C@]13O)[C@](C)(O)C2 ZINC000003808387 EF Annotated Anodyne CCOc1cccc2c1C(=O)c1c(OCC)cc(C(=O)O)cc1C2=O ZINC000003810503 EF Annotated Clean CC1(C)C(=O)N(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2ccccc21 ZINC000003811436 EF Annotated Anodyne Nc1nc(N)c2c(n1)CC[C@H](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000003814899 EF Annotated Anodyne Cc1c(CCC(=O)O)c[nH]c1/C=C1\C(=O)Nc2ccc(C(=O)O)cc21 ZINC000003815565 EF Annotated Anodyne O=c1[nH]c2ccc(N3CCN(CC4CC4)CC3)nc2c2ccccc12 ZINC000003815861 EF Annotated Bother O=C(O)CC1(CNC(=O)O[C@@H]2CCCCC(=O)O2)CCCCC1 ZINC000003817746 EF Annotated Anodyne Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1 ZINC000003818195 EF Annotated Anodyne in-vivo CC(C)(/N=c1\c(O)c(O)\c1=N/c1ccc(C#N)cc1)c1ccccc1 ZINC000003823963 EF Annotated Mild COc1ccc([C@@H](C)/N=c2\c(O)c(O)\c2=N/c2ccc(C#N)cc2)cc1 ZINC000003823967 EF Annotated Mild C[C@@H]1O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O ZINC000003828492 EF Annotated Anodyne COC(=O)[C@H]1CS[C@@]2(c3ccccc3)c3ccccc3C(=O)N12 ZINC000003871751 EF Annotated Anodyne COC(=O)[C@@H]1CS[C@]2(c3ccccc3)c3ccccc3C(=O)N12 ZINC000003871752 EF Annotated Anodyne in-vivo O=C(CCS(=O)(=O)c1cccs1)NCCC1=CCCCC1 ZINC000003894672 EF Annotated Anodyne O=C(CCS(=O)(=O)c1cccs1)Nc1ccc(F)c(F)c1 ZINC000003894740 EF Annotated Anodyne COc1cc2c(C(=O)N3CCCCCC3)cn(C)c(=O)c2cc1OC ZINC000003895574 EF Annotated Anodyne CC[C@@H](C)NC(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12 ZINC000003896428 EF Annotated Anodyne CC[C@H](C)NC(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12 ZINC000003896429 EF Annotated Anodyne CCn1cc(C(=O)N2CCCCC2)c2cc(OC)c(OC)cc2c1=O ZINC000003896455 EF Annotated Anodyne O=c1[nH]c2ccc(S(=O)(=O)NCCC3=CCCCC3)cc2s1 ZINC000003906383 EF Annotated Anodyne Cc1nc(N(C)Cc2ccccc2)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000003923352 EF Annotated Bother CCCCN/C(N)=N\c1nc(-c2cccc(CNC(C)=O)c2)cs1 ZINC000003930729 EF Annotated Mild Cc1c(C)c2c(c(C)c1O)C[C@H](CCn1ccc(=O)c(O)c1C)O2 ZINC000003932290 EF Annotated Anodyne C[C@]12CC[C@H](c3ccc(CO)cc3)C[C@@]1(O)CC[C@@H]2/C=N/OCCN ZINC000003946453 EF Annotated Mild CC(C)CN1CC[C@@]2(CCCN(S(=O)(=O)c3ccccc3)C2)C1 ZINC000003955761 EF Annotated Anodyne O=C(c1cccc(F)c1)N1CCC2(CC1)CN(c1ccncc1)C2 ZINC000003955794 EF Annotated Anodyne Cn1cccc1C(=O)N1CCC2(CC1)CCN(c1ccncc1)CC2 ZINC000003955833 EF Annotated Anodyne CC(C)NC(=O)N1CCC2(CC1)CCN(C(=O)c1ccco1)CC2 ZINC000003955905 EF Annotated Anodyne O=C(c1ccco1)N1CCC[C@@]2(CCN(Cc3ccncc3)C2)C1 ZINC000003955922 EF Annotated Anodyne Cn1cccc1C(=O)N1CCC2(CCCN(c3ccncc3)C2)CC1 ZINC000003956107 EF Annotated Anodyne O=C(c1csnn1)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1 ZINC000003956279 EF Annotated Anodyne Cn1cccc1C(=O)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1 ZINC000003956351 EF Annotated Anodyne O=C(c1ccco1)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1 ZINC000003956367 EF Annotated Anodyne Cn1cccc1C(=O)N1CCC2(CC1)CN(Cc1ccc(C#N)cc1)C2 ZINC000003956403 EF Annotated Mild Cc1cccc(N2CCN(c3ccc4[nH]c(=O)c(C)nc4n3)C[C@@H]2C)c1 ZINC000003956614 EF Annotated Anodyne Cn1c(=O)cc(OCCCC(=O)Nc2ccccn2)c2ccccc21 ZINC000003959692 EF Annotated Anodyne O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc(Br)s1 ZINC000003964503 EF Annotated Anodyne CC1=CC[C@@H]2[C@]3(C)[C@@H](C[C@H]4OC(=O)C=C1[C@]42C)C(C)(C)C[C@H](O)[C@@H]3O ZINC000003978403 EF Annotated Anodyne in-vitro CC1=CC[C@H]2[C@]3(C)[C@@H](C[C@H]4OC(=O)C=C1[C@@]24C)C(C)(C)C[C@H](O)[C@@H]3O ZINC000003978404 EF Annotated Anodyne in-vitro CC1=CC[C@@H]2[C@@]3(C)[C@@H](O)[C@@H](O)CC(C)(C)[C@H]3C[C@H]3OC(=O)C=C1[C@]32C ZINC000003978405 EF Annotated Anodyne in-vitro CC1=CC[C@H]2[C@@]3(C)[C@@H](O)[C@@H](O)CC(C)(C)[C@H]3C[C@H]3OC(=O)C=C1[C@@]23C ZINC000003978406 EF Annotated Anodyne in-vitro COC(=O)N1c2ccccc2NC(=O)[C@]1(C#CC1CC1)C(F)(F)F ZINC000003982758 EF Annotated Mild N#Cc1ccc(NC(=O)N[C@@H]2[C@@H]3COc4c(F)ccc(F)c4[C@H]23)nc1 ZINC000003988197 EF Annotated Mild COC(=O)c1c(O)c2ncsc2n(-c2cccc(SC)c2)c1=O ZINC000035010305 EF Annotated Anodyne Cc1cc2c(cc1Cl)SC1=N[C@H](CCl)CN1S2(=O)=O ZINC000035010347 EF Annotated Reactive Cc1cc2c(cc1Cl)SC1=N[C@@H](CCl)CN1S2(=O)=O ZINC000035010349 EF Annotated Reactive COc1nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)nc(OC)n1 ZINC000035010608 EF Annotated Mild Cc1cc(F)ccc1NC(=O)CN1CCC(c2cccc[n+]2[O-])CC1 ZINC000035075422 EF Annotated Anodyne CS/C(=N\C#N)NC[C@@H]1CCC[C@@H]1NCc1ccc(Cl)nc1 ZINC000035079167 EF Annotated Mild CS/C(=N\C#N)NC[C@H]1CCC[C@@H]1NCc1ccc(Cl)nc1 ZINC000035079169 EF Annotated Mild CS/C(=N\C#N)NC[C@@H]1CCC[C@H]1NCc1ccc(Cl)nc1 ZINC000035079171 EF Annotated Mild CS/C(=N\C#N)NC[C@H]1CCC[C@H]1NCc1ccc(Cl)nc1 ZINC000035079173 EF Annotated Mild CN(C)CCCSc1nc(N)c(C#N)c(-c2ccco2)c1C#N ZINC000035087242 EF Annotated Mild N#Cc1c(N)nc(SCCN2CCCC2)c(C#N)c1-c1ccco1 ZINC000035087263 EF Annotated Mild CC(C)C1=C[C@]23CC[C@@H]4C(=CCCC4(C)C)[C@H]2OC(=O)[C@]3(O)C1=O ZINC000035089392 EF Annotated Mild CCc1cc(=O)n(C)c(S[C@@H](C)C(=O)Nc2ccc(F)cc2)n1 ZINC000035157917 EF Annotated Anodyne CCc1cc(=O)n(C)c(S[C@H](C)C(=O)Nc2ccc(F)cc2)n1 ZINC000035157918 EF Annotated Anodyne CCc1cc(=O)n(C)c(S[C@@H](CC)C(=O)Nc2ccc(F)cc2)n1 ZINC000035158091 EF Annotated Anodyne CCc1cc(=O)n(C)c(S[C@H](CC)C(=O)Nc2ccc(F)cc2)n1 ZINC000035158092 EF Annotated Anodyne CC(=O)[C@]12O[C@H]1C[C@H]1[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]12C ZINC000035241577 EF Annotated Mild O=C1C[C@H]2[C@@H]3CCC(=O)c4c(O)ccc(c43)[C@@]2(O)c2cccc(O)c21 ZINC000035241624 EF Annotated Anodyne CC(C)C(=O)O[C@@H]1CC2=C(OC1(C)C)c1ccccc1C(=O)C2=O ZINC000035246735 EF Annotated Mild CC(C)C(=O)O[C@H]1CC2=C(OC1(C)C)c1ccccc1C(=O)C2=O ZINC000035246736 EF Annotated Mild COc1c2c3c(c4c1OCO4)-c1ccccc1[C@H](O)[C@H]3[N+](C)(C)CC2 ZINC000035259380 EF Annotated Bother CC1=CC2=C[C@H](C)C[C@@]23O[C@]2(CC(C)(C)[C@@H](O)[C@@H]2C1=O)[C@@H](C)C3=O ZINC000035261414 EF Annotated Mild C=C1C(=O)[C@@]23CC[C@@H]4[C@H](C(=O)OC)C[C@@H](O)C[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000035269452 EF Annotated Mild Cc1ccc2c(c1)-c1nc(Cc3cc(C)no3)nn1Cc1c(C)ncn1-2 ZINC000035278615 EF Annotated Anodyne CCc1cc(O)n2nc(NCc3ccc(Br)cc3)nc2n1 ZINC000035562354 EF Annotated Anodyne Oc1c2c(nc3nc(NCc4ccc(Cl)cc4)nn13)CCCC2 ZINC000035562361 EF Annotated Anodyne Oc1c2c(nc3nc(NCc4ccccc4Cl)nn13)CCCC2 ZINC000035562363 EF Annotated Anodyne CC(C)Oc1ccc(CNc2nc3nc4c(c(O)n3n2)CCC4)cc1 ZINC000035562374 EF Annotated Anodyne CC(C)c1nnc2ccc(S(=O)(=O)c3ccc(F)cc3F)cn12 ZINC000035789514 EF Annotated Anodyne CNC[C@@H](O)[C@H](c1ccccc1)n1c(=O)n(C(C)C)c2ccccc21 ZINC000035789713 EF Annotated Anodyne CCc1ccccc1NC(=O)[C@@H](Cc1ccco1)NC(=O)CCl ZINC000035839896 EF Annotated Reactive CCc1ccccc1NC(=O)[C@H](Cc1ccco1)NC(=O)CCl ZINC000035839899 EF Annotated Reactive C=C[C@]1(C)CC[C@@H]2C(=C[C@H]3OC(=O)[C@]4(C)[C@H]3[C@]23CC[C@]4(O)OC3)C1 ZINC000035857654 EF Annotated Mild CCCC[C@H](N1CCOCC1)C(O)(c1cccnc1)c1cccnc1 ZINC000035876204 EF Annotated Anodyne in-vivo CCCC[C@@H](N1CCOCC1)C(O)(c1cccnc1)c1cccnc1 ZINC000035876205 EF Annotated Anodyne in-vivo C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2C=C[C@@]12O[C@H]1C(=O)O[C@H]3O[C@H](O)[C@@H]2[C@H]31 ZINC000035876345 EF Annotated Anodyne O=c1ccc2c3c(cc[n+]2CCBr)c2ccccc2n13 ZINC000035878895 EF Annotated Reactive Cc1cc(NC(=O)c2nc(C)sc2Nc2cncnc2)ccn1 ZINC000035899684 EF Annotated Anodyne C[C@@]12CC[C@H]3OC(=O)C=C3[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 ZINC000035899815 EF Annotated Anodyne CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1C#Cc1ccc2c(ccn2C)c1 ZINC000035906520 EF Annotated Mild CN1C(=O)[C@@H](CN2CCCCC2)C[C@@H]1C#Cc1ccc2c(ccn2C)c1 ZINC000035906521 EF Annotated Mild CN1C(=O)[C@H](CN2CCCCC2)C[C@H]1C#Cc1ccc2c(ccn2C)c1 ZINC000035906522 EF Annotated Mild CN1C(=O)[C@H](CN2CCCCC2)C[C@@H]1C#Cc1ccc2c(ccn2C)c1 ZINC000035906523 EF Annotated Mild O=C1CN(CCc2ccccc2)C(=O)[C@H]1SCCc1ccccc1 ZINC000035930346 EF Annotated Anodyne O=S1(=O)N=C(NC2(C(F)(F)F)CC2)Nc2cc(Cl)sc21 ZINC000035942034 EF Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](Cc1ccco1)NC(=O)CCl ZINC000035949796 EF Annotated Reactive Cc1cccc(C)c1NC(=O)[C@H](Cc1ccco1)NC(=O)CCl ZINC000035949797 EF Annotated Reactive CC(C)N1CCN(C(=O)c2csc(CN3CCCCC3)c2)CC1 ZINC000035949812 EF Annotated Anodyne Clc1ccc(-n2ccc(OCCN3CCOCC3)n2)cc1Cl ZINC000035949942 EF Annotated Anodyne COc1cc(O)c2c(=O)c3cc([N+](=O)[O-])c(Cl)cc3n(C)c2c1 ZINC000035965512 EF Annotated Bother CC(C)N1CCN(C(=O)c2ccc(CN3CCCCC3)s2)CC1 ZINC000035965562 EF Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CO)[C@@H](O)CC[C@]2(C)[C@H]1/C=C/[C@H]1CCOC1=O ZINC000035978839 EF Annotated Mild C[C@@H]1CN2C[C@H]3CCC4=C5[C@@H](CC[C@@]56C(=O)[C@@H]1C[C@@H]2[C@@]36C)CC4=O ZINC000035995450 EF Annotated Mild C=C1CC[C@H]2[C@@](C)(CO)[C@@H](O)CC[C@]2(C)[C@H]1/C=C/[C@@H]1CCOC1=O ZINC000035995602 EF Annotated Mild COC(=O)c1ccc(N/N=C/c2cc([N+](=O)[O-])cc(OC)c2O)cc1 ZINC000036046212 EF Annotated Mild CC1(C)Cc2c(sc(NC(=O)C(=O)O)c2C(=O)O)C(C)(C)C1 ZINC000036088929 EF Annotated Anodyne CC(C)Oc1ccccc1C[C@@](O)(c1ccccc1)[C@@H]1CNCCO1 ZINC000036093124 EF Annotated Anodyne CCOc1ccccc1C[C@@](O)(c1ccccc1)[C@@H]1CNCCO1 ZINC000036093129 EF Annotated Anodyne CN(C)CCc1c2n(c3ccccc13)S(=O)(=O)c1ccccc1-2 ZINC000036093374 EF Annotated Anodyne Cc1ccc(OCC(=O)O)c(C(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000036127045 EF Annotated Anodyne O=C1C=C[C@H](O)N(C(=O)OCc2ccccc2)[C@@H]1Cc1ccccc1 ZINC000036175624 EF Annotated Mild O=C1C=C[C@H](O)N(C(=O)OCc2ccccc2)[C@H]1Cc1ccccc1 ZINC000036175628 EF Annotated Mild O=C1C=C[C@@H](O)N(C(=O)OCc2ccccc2)[C@@H]1Cc1ccccc1 ZINC000036175634 EF Annotated Mild O=C1C=C[C@@H](O)N(C(=O)OCc2ccccc2)[C@H]1Cc1ccccc1 ZINC000036175638 EF Annotated Mild O=C1C=C(O)C(=O)C(c2c[nH]c3ccc(Br)cc23)=C1O ZINC000036176170 EF Annotated Mild CNC(=O)Oc1cc(C)c(/C=C/c2cncc(C(=O)NC)c2)c(C)c1 ZINC000036187619 EF Annotated Anodyne CNC(=O)Oc1cc(C)c(/C=C/c2cncc(C(N)=O)c2)c(C)c1 ZINC000036187620 EF Annotated Anodyne CCCN[C@H]1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1 ZINC000036187758 EF Annotated Unstable N#CCO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000036216677 EF Annotated Mild COCC[S@](=O)C[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 ZINC000036271477 EF Annotated Anodyne CN1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)NO)C1 ZINC000036271552 EF Annotated Bother CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)NO)C1 ZINC000036271556 EF Annotated Bother Oc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)C2 ZINC000036294442 EF Annotated Anodyne CCc1c(C)c2c(c(O)c1C/C=C(\C)CP(=O)(O)O)C(=O)OC2 ZINC000036338575 EF Annotated Anodyne Cn1cc(/C=C2\C(=O)NN=C2c2cnccn2)c2cc(Cl)ccc21 ZINC000036338801 EF Annotated Clean C[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](O)[C@]2(C)O)[C@@]1(C)CC/C(=C/CO)CO ZINC000036374694 EF Annotated Anodyne COC(=O)[C@@H]1C[C@H]2c3ccccc3N3C(=N)C4(CCCCC4)N1[C@@H]23 ZINC000036375026 EF Annotated Anodyne C=C1[C@H](O)[C@@]23CC[C@@H]4[C@H](C(=O)OC)C[C@@H](O)C[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000036375348 EF Annotated Mild Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@H](C(=O)NCC2CC2)N(C)[C@H]31 ZINC000036378235 EF Annotated Anodyne Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@H](C(=O)NCC2CC2)N(C)[C@@H]31 ZINC000036378236 EF Annotated Anodyne CN1[C@H](C(=O)NCc2ccccc2)C[C@H]2Cn3c(nc4ccccc43)[C@@H]21 ZINC000036378237 EF Annotated Anodyne C=CCNC(=O)[C@@H]1C[C@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]2N1C ZINC000036378280 EF Annotated Mild C=CCNC(=O)[C@H]1C[C@H]2Cn3c(nc4cc5ccccc5cc43)[C@@H]2N1C ZINC000036378281 EF Annotated Mild C[C@]12CCC[C@@]3(C)[C@@H]1[C@@H](C[C@@]1(CO1)[C@]3(O)CCc1ccoc1)OC2=O ZINC000036378760 EF Annotated Anodyne CCN1C(NCC(C)C)=N[C@@H](c2ccccc2)[C@H](C(=O)OC)[C@H]1C ZINC000036379152 EF Annotated Anodyne CCOC(=O)c1ccc(-n2cccc2/C=C2\NC(=O)N=C2O)cc1 ZINC000036380146 EF Annotated Anodyne Cn1nnnc1Sc1ncnc2scc(-c3cccc(N)c3)c12 ZINC000036380190 EF Annotated Anodyne Cn1nnnc1Sc1ncnc2scc(-c3ccc(N)cc3)c12 ZINC000036380191 EF Annotated Anodyne Cn1c2cc(C=O)sc2c2cnn(Cc3ccccc3F)c(=O)c21 ZINC000036380221 EF Annotated Anodyne Cn1c2cc(CO)sc2c2cnn(Cc3ccccc3F)c(=O)c21 ZINC000036380675 EF Annotated Anodyne CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2cccs2)C1 ZINC000036380743 EF Annotated Anodyne CN(C)c1ccccc1-c1csc(N2CCC(C(N)=O)CC2)n1 ZINC000036380804 EF Annotated Anodyne CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccsc2)C1 ZINC000036380856 EF Annotated Anodyne O=C(c1ccc(-c2cc(O)c3ncccc3c2)cc1)N1CCNCC1 ZINC000036380975 EF Annotated Anodyne O/N=C(/C[n+]1ccsc1)c1ccc(I)cc1 ZINC000036381189 EF Annotated Mild COc1ccc(CCn2c(=S)[nH]c(=O)c3cccnc32)cc1OC ZINC000036381378 EF Annotated Anodyne CN(C)c1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1 ZINC000036381462 EF Annotated Anodyne COC(=O)c1cc(C(=O)OC)n2ccc3cc(OC)c(OC)cc3c12 ZINC000036381613 EF Annotated Anodyne COc1ccc2c(c1)CO[C@H]([C@H](O)CO)[C@H]2/C=C/c1ccccc1 ZINC000036381847 EF Annotated Anodyne COc1cccc2c1[C@H](/C=C/c1ccccc1)[C@@H]([C@H](O)CO)OC2 ZINC000036381848 EF Annotated Anodyne CCOC(=O)[C@]12[C@H](c3ccccc3)NC(=O)N3CC[C@H]([C@H]31)C2(C)C ZINC000036382036 EF Annotated Anodyne C=C(CCN1C=C(C(=O)OCC)[C@@H](c2ccccc2)NC1=O)OC ZINC000036382048 EF Annotated Mild O[C@H](CBr)C[n+]1cccc2cc(Br)ccc21 ZINC000036382695 EF Annotated Reactive O=S1(=O)CCOC[C@H](c2ccccc2)N1Cc1ccc(F)cc1 ZINC000036382941 EF Annotated Anodyne O=C1CC[C@H](O)CCN1CCSc1ccc(Br)cc1 ZINC000036382954 EF Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)OCCS(=O)(=O)N1Cc1ccccc1 ZINC000036383023 EF Annotated Anodyne COc1ccc(NC(=O)[C@@H]2CC=C[C@@H]3CCN(C4CC4)C(=O)[C@@H]32)cc1 ZINC000036383029 EF Annotated Anodyne O=C1CCN(Cc2ccccc2)S(=O)(=O)c2c(F)cc(F)cc21 ZINC000036383051 EF Annotated Anodyne COC(=O)/C=C/c1cc(F)ccc1S(=O)(=O)Nc1ccccc1 ZINC000036383151 EF Annotated Anodyne O=S1(=O)CCO[C@H]2CCCC[C@@H]2N1Cc1ccc(Cl)cc1 ZINC000036383163 EF Annotated Anodyne C=CCN1C[C@@H]2C[C@@]3(COc4cc(C)cc(C)c4)C=C[C@@]2(O3)C1=O ZINC000036383341 EF Annotated Mild O=[N+]([O-])c1ccc2c3n([n+]([O-])c2c1)CCN=C3c1ccc(Cl)cc1 ZINC000036383481 EF Annotated Bother C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CCC[C@H]3[C@@]1(C)CC[C@H]1COC(=O)C1 ZINC000036384206 EF Annotated Anodyne C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CCC[C@H]3[C@@]1(C)CC[C@@H]1COC(=O)C1 ZINC000036384207 EF Annotated Anodyne COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)NC(C)C ZINC000036384232 EF Annotated Anodyne CCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1c(C)noc1C)C2 ZINC000036384253 EF Annotated Anodyne C/C=C/OC(=O)N[C@@H](c1ccccc1)[C@]1(C(=O)OC)CCCC1=O ZINC000036384614 EF Annotated Anodyne Cc1ncc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)s1 ZINC000036385614 EF Annotated Anodyne CC(C)CN1CCN(Cc2nc(C(C)C)cs2)C[C@H]1CCO ZINC000036385684 EF Annotated Anodyne CC(C)=CCN1CCN(Cc2ccc3nsnc3c2)C[C@H]1CCO ZINC000036385728 EF Annotated Anodyne CC(C)CN1CCN(Cc2nc3ccccc3s2)C[C@H]1CCO ZINC000036385776 EF Annotated Anodyne COc1ccc(/C=C/CN2CCN(CC(C)C)[C@H](CCO)C2)cc1 ZINC000036385777 EF Annotated Anodyne CC(C)N(Cc1cnn(C)c1)Cc1nc(COc2ccccc2)no1 ZINC000036385796 EF Annotated Anodyne COc1ccc2c3n([n+]([O-])c2c1)CCN=C3c1ccc(Cl)cc1 ZINC000036387367 EF Annotated Anodyne CCOC(=O)C1=CC[C@]2(C)c3c(c4ccccc4n3C)C(=O)[C@H]1N2C ZINC000036387602 EF Annotated Anodyne CC1CCN(C(=O)c2[nH]cnc2C(=O)N(C)Cc2ccccc2)CC1 ZINC000036388136 EF Annotated Anodyne COc1cc2cc(CCOC(=O)c3ccco3)oc(=O)c2cc1OC ZINC000036388704 EF Annotated Anodyne O=C(OCCc1cc2ccccc2c(=O)o1)c1ccc2c(c1)OCO2 ZINC000036388802 EF Annotated Anodyne O=c1oc(CCCO)cc2ccc(C#CC3(O)CCCCC3)cc12 ZINC000036388905 EF Annotated Mild CN(C)c1ccc(C#Cc2ccc3cc(CCO)oc(=O)c3c2)cc1 ZINC000036388910 EF Annotated Mild O=C(O)c1ccccc1C(=O)OCCc1cc2ccccc2c(=O)o1 ZINC000036388924 EF Annotated Anodyne C[C@]1(NC(=O)c2ccccc2)CCN(CCc2cccs2)C1=O ZINC000036389150 EF Annotated Anodyne C[C@@]1(NC(=O)c2ccccc2)CCN(CCc2cccs2)C1=O ZINC000036389151 EF Annotated Anodyne CC(=O)C[C@H](O)CC(=O)[C@H]1OC(=O)[C@H](C)C/C=C\Cc2ccccc21 ZINC000036389195 EF Annotated Anodyne N=C(N)c1ccc(-c2ccc(-c3cn4c(n3)CC[C@H](C(=N)N)C4)o2)cc1 ZINC000036398948 EF Annotated Anodyne CC[C@H]1CO[C@@H](O)[C@H]2[C@H]1C[C@H]1N[C@@H]2Cc2c1n(C)c1ccccc21 ZINC000036416022 EF Annotated Anodyne CC[C@@]12C[C@@H](O)c3c(c4ccccc4n3C)CCN(C[C@H]3O[C@H]31)C2 ZINC000036416023 EF Annotated Anodyne CCN1Cc2cc(-c3nnn(-c4cccnc4F)c3C)ccc2C1=O ZINC000036423020 EF Annotated Anodyne O=C1C(Nc2ccc(Br)cc2)=CC(=O)c2ncncc21 ZINC000036433513 EF Annotated Mild C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](O)[C@@H]1[C@H]2OC(=O)/C(C)=C\C ZINC000036440312 EF Annotated Mild CC(=O)C1=C(O)N2[C@H](C1=O)[C@H]1c3c[nH]c4cccc(c34)C[C@@H]1C2(C)C ZINC000036493847 EF Annotated Mild C=C/C1=C\Cc2ccccc2[C@H](C[N+](=O)[O-])[C@@](C(C)=O)(C(=O)OC)C1 ZINC000037867840 EF Annotated Bother CC(C)(C)OC(=O)Nc1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 ZINC000377438837 EF Annotated Anodyne O=C1N=c2ccccc2=C1C=C1C=CN(Cc2ccccc2F)C=C1 ZINC000377466627 EF Annotated Anodyne O=C1N=c2ccccc2=C1C=C1C=CN(Cc2cccc(F)c2)C=C1 ZINC000377466629 EF Annotated Anodyne Cc1cccc(CN2C=CC(=CC3=c4ccccc4=NC3=O)C=C2)c1 ZINC000377466645 EF Annotated Anodyne O=C1N=c2ccccc2=C1C=C1C=CN(Cc2ccc(F)cc2)C=C1 ZINC000377466652 EF Annotated Anodyne Cc1ccccc1CN1C=CC(=CC2=c3ccccc3=NC2=O)C=C1 ZINC000377466656 EF Annotated Anodyne N#Cc1c(NC(=O)C2CCCCC2)[n+](=O)c2ccc(Cl)cc2n1O ZINC000377797430 EF Annotated Mild Cc1ccc2c(c1)n(O)c(C(=O)c1ccco1)c(C(F)(F)F)[n+]2=O ZINC000377799858 EF Annotated Anodyne O=C(c1ccco1)c1c(C(F)(F)F)[n+](=O)c2ccc(F)cc2n1O ZINC000377799868 EF Annotated Anodyne O=C(c1ccco1)c1c(C(F)(F)F)[n+](=O)c2ccccc2n1O ZINC000377799881 EF Annotated Anodyne O=C(c1ccccc1)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 ZINC000377803475 EF Annotated Anodyne O=C(c1cccs1)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 ZINC000377803812 EF Annotated Anodyne CCOC(=O)CN1C=C(CO)/C(=C\N=Nc2ccccn2)C(O)=C1C ZINC000377805993 EF Annotated Clean O=C(c1ccsc1)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 ZINC000377806637 EF Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)n(O)c2cc(F)c(F)cc2[n+]1=O ZINC000377811656 EF Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)n(O)c2ccc(C)cc2[n+]1=O ZINC000377812859 EF Annotated Anodyne CCOC(=O)c1c(-c2ccc(C)cc2)n(O)c2ccccc2[n+]1=O ZINC000377812963 EF Annotated Anodyne CCOC(=O)c1c(-c2ccc(OC)cc2)n(O)c2ccccc2[n+]1=O ZINC000377815071 EF Annotated Anodyne CCOC(=O)c1cnn2c1[nH][n+](=O)c1ccc(-c3ccccc3)cc12 ZINC000377815837 EF Annotated Anodyne O=[n+]1[nH]c2c(Br)cnn2c2ccc(C(F)(F)F)cc21 ZINC000377825216 EF Annotated Anodyne O=[n+]1[nH]c2c(Br)cnn2c2cc(C(F)(F)F)ccc21 ZINC000377825222 EF Annotated Anodyne COc1ccc(-c2c(C#N)n(O)c3cc(F)c(F)cc3[n+]2=O)cc1 ZINC000377825561 EF Annotated Mild C[C@H](C(=O)OCON[N+](=O)N1CCCC1)c1cccc2ccccc12 ZINC000377826567 EF Annotated Anodyne O=C(Oc1cccs1)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 ZINC000377829985 EF Annotated Anodyne COc1ccc(C)cc1N=C1NN(C)/C(=C2/C=CC(O)=CC2=O)S1 ZINC000377830306 EF Annotated Mild COc1ccc(C)cc1N=C1NN(C)/C(=C2\C=CC(O)=CC2=O)S1 ZINC000377830307 EF Annotated Mild CC(C)C(=O)c1c(C(F)(F)F)[n+](=O)c2cc(F)c(F)cc2n1O ZINC000377836327 EF Annotated Anodyne O=C(c1ccco1)c1cnn2c1[nH][n+](=O)c1ccc(-c3ccc[nH]3)cc12 ZINC000377836357 EF Annotated Anodyne O=C(c1ccco1)c1cnn2c1[nH][n+](=O)c1ccc(-c3ccco3)cc12 ZINC000377836363 EF Annotated Anodyne N=c1ccccn1C(c1ccnc2ccccc12)n1ccccc1=N ZINC000377839484 EF Annotated Anodyne Nc1c(-c2ccc(Br)cc2)n(O)c2ccccc2[n+]1=O ZINC000377840792 EF Annotated Anodyne CCOC(=O)Nc1c(C#N)n(O)c2cc(Cl)c(Cl)cc2[n+]1=O ZINC000377841349 EF Annotated Mild COc1ccccc1COc1ccc2c(c1)n1ncc(C)c1[nH][n+]2=O ZINC000377845188 EF Annotated Anodyne COc1ccccc1CNc1ccc2c(c1)n1ncc(C)c1[nH][n+]2=O ZINC000377845201 EF Annotated Anodyne Cc1cnn2c1[nH][n+](=O)c1ccc(OCc3ccnc(Cl)c3)cc12 ZINC000377845414 EF Annotated Anodyne CCOC(=O)c1c(C(F)(F)F)[n+](=O)c2cc(C)c(C)cc2n1O ZINC000377845648 EF Annotated Anodyne CCOC(=O)c1c(C(F)(F)F)[n+](=O)c2ccc(Cl)cc2n1O ZINC000377845662 EF Annotated Anodyne N#Cc1c(NC(=O)c2cccs2)[n+](=O)c2ccc(Cl)cc2n1O ZINC000377845789 EF Annotated Mild Cc1cc2c(cc1C)[n+](=O)c(NC(=O)c1cccs1)c(C#N)n2O ZINC000377845804 EF Annotated Mild CCN(CC)CCNc1cc(C)nc2c3cc4ccccc4nc3[nH][n+]12 ZINC000377853424 EF Annotated Bother C1=CN2C=CC1=NCCOCCN=C1C=CN(C=C1)CCCCC2 ZINC000377853799 EF Annotated Anodyne C1=CN2C=CC1=NCCCCCN=C1C=CN(C=C1)CCOCC2 ZINC000377853800 EF Annotated Anodyne C=C/C1=C\Cc2ccccc2[C@H](C[N+](=O)[O-])[C@](C(C)=O)(C(=O)OC)C1 ZINC000038140842 EF Annotated Bother Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000038140967 EF Annotated Anodyne COC(=O)[C@@H]1[C@H]2C[C@@H](C)[C@H](c3ccccc32)N1C(=O)C(F)(F)F ZINC000038142236 EF Annotated Anodyne C=CCNC(=O)[C@H]1C=C(OC)C(=O)C[C@@H]2c3ccccc3C[C@]12C ZINC000038142284 EF Annotated Mild C=C(CCN1C=C(C(=O)OCC)[C@H](c2ccccc2)NC1=O)OC ZINC000038142414 EF Annotated Mild CC(=O)CCn1c(Cn2c(=O)[nH]c3ccccc32)nc2ccccc21 ZINC000038142842 EF Annotated Anodyne O[C@@H](CBr)C[n+]1cccc2cc(Br)ccc21 ZINC000038142952 EF Annotated Reactive COc1c2c(c(O)c3c1NCCN3)C(=O)N(Cc1ccc(F)cc1)C2 ZINC000038147488 EF Annotated Anodyne COc1ccc2[nH]c(CN3CCN(C(C)C)[C@H](CCO)C3)c(C)c2c1 ZINC000038149497 EF Annotated Anodyne Cc1cccc(C)c1NC(=O)CN1CCC(c2cccc[n+]2[O-])CC1 ZINC000038149991 EF Annotated Anodyne Cc1cc(NC(=O)CN2CCC(c3cccc[n+]3[O-])CC2)ccc1F ZINC000038149992 EF Annotated Anodyne CN(C)C(=O)N1Cc2c(ccc3c2OCC3)[C@H](c2cccc(O)c2)C1 ZINC000038156052 EF Annotated Anodyne CN(C)C(=O)N1Cc2c(ccc3c2OCC3)[C@@H](c2cccc(O)c2)C1 ZINC000038156053 EF Annotated Anodyne Cc1ccc2c(c1)/C(=C1\SC(=N)N(c3nccs3)C1=O)C(=O)N2 ZINC000038162173 EF Annotated Anodyne O=C1C=CC=C/C1=N\N=C(/NNc1ccccc1O)c1ccccc1 ZINC000038168115 EF Annotated Mild Sc1nnc(-c2[nH]nc3c2CCC3)n1N/C=C1\C=Nc2ccccc21 ZINC000038168122 EF Annotated Anodyne CCOC1=C/C(=C/NNC(=O)c2ccccc2-n2cccc2)C=CC1=O ZINC000038187558 EF Annotated Reactive COC(=O)[C@H]1C[C@@]23C=CCN4CC[C@@]5(c6ccccc6N[C@]15[C@@H]2C)[C@@H]43 ZINC000038192582 EF Annotated Anodyne N#C[C@@H](/N=N/c1ccc(S(N)(=O)=O)cc1)c1nc2ccccc2[nH]1 ZINC000038214409 EF Annotated Mild CC1(C)CCC[C@]2(C)C3=C(C[C@](CO)([C@H](O)CO)CC3)C(=O)C[C@@H]12 ZINC000038230258 EF Annotated Mild O=C1CCN(Cc2ccc3oc4cccc5c(=O)[nH]nc(c3c2)c45)CC1 ZINC000038238059 EF Annotated Bother COC(=O)c1ccc(OC)c(C[C@@H]2C(C)(C)C(=O)C=C[C@@]2(C)O)c1 ZINC000038260206 EF Annotated Mild O=C(CCl)N[C@@H](Cc1ccco1)C(=O)Nc1ccc(Cl)cc1 ZINC000038266842 EF Annotated Reactive O=C(CCl)N[C@H](Cc1ccco1)C(=O)Nc1ccc(Cl)cc1 ZINC000038266843 EF Annotated Reactive Cc1c(C2=CCN(C(=O)OC(C)C)CC2)nnn1-c1cccnc1F ZINC000038266916 EF Annotated Anodyne C[C@@H]1C(=O)C2=C(C[C@H]3OC(=O)[C@@]24CC[C@@H](O)[C@H](C)[C@H]34)[C@H]1c1ccoc1 ZINC000038275606 EF Annotated Mild COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2cccc(O)c2)cc1O ZINC000038287257 EF Annotated Anodyne in-vitro biogenic C[C@@H]1OC[C@H]2[C@@H]3Cc4c(n(C)c5ccccc45)[C@H](C[C@H]2[C@@H]1C=O)N3C ZINC000038287545 EF Annotated Mild CCOc1ccc(-c2cnc3nc(N)nc(OC(C)C)c3n2)cc1 ZINC000038305109 EF Annotated Anodyne C#C/C=C\CCCC/C=C\C#CC#CCCCC#CC#C[C@@H](O)CO ZINC000038305319 EF Annotated Mild CC1=CC[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1C[C@](C)(O)[C@@H](O)CC[C@@](C)(O)[C@@H]2O1 ZINC000038305487 EF Annotated Anodyne Cn1cc([C@@H](CN2CCNCC2)C2(O)CCCCC2)c2ccccc21 ZINC000038306826 EF Annotated Anodyne Cn1cc([C@H](CN2CCNCC2)C2(O)CCCCC2)c2ccccc21 ZINC000038306827 EF Annotated Anodyne C[C@@H]1[C@H]2OC(=O)C3=CCC[C@H]([C@@]1(C)CCC1=CC(=O)OC1)[C@@]3(C)[C@H]2O ZINC000038306989 EF Annotated Anodyne in-vitro biogenic COc1cccc(Cc2n[nH]c(-c3ncc4cccnc4c3O)n2)c1 ZINC000038342732 EF Annotated Anodyne CN1CCN(Cc2ccc(C#CCCN3CCCCC3)cc2)CC1 ZINC000038387820 EF Annotated Mild CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)CC[C@]3(C(=O)O)CC[C@@H]12 ZINC000038387843 EF Annotated Reactive COC(=O)[C@]12CCC(=O)C=C1[C@@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2 ZINC000038410814 EF Annotated Reactive COc1cncc([C@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)c1 ZINC000038421550 EF Annotated Reactive COc1cncc([C@@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)c1 ZINC000038421551 EF Annotated Reactive CC(C)C1=C(O)C(=O)C([C@@]2(C)CCCC(C)(C)C2=O)=C(C(=O)O)C1=O ZINC000038422387 EF Annotated Mild COCCNc1nccc([C@@H](C#N)c2nc3ccccc3s2)n1 ZINC000038441522 EF Annotated Mild COCCNc1nccc([C@H](C#N)c2nc3ccccc3s2)n1 ZINC000038441523 EF Annotated Mild O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1ccc(O)c(Cl)c1 ZINC000038441991 EF Annotated Anodyne N#C[C@@H](c1ccnc(N2CCOCC2)n1)c1nc2ccccc2s1 ZINC000038462403 EF Annotated Mild N#C[C@H](c1ccnc(N2CCOCC2)n1)c1nc2ccccc2s1 ZINC000038462404 EF Annotated Mild O=[N+]([O-])OC[C@H](CSSc1ccc(Cl)cc1)O[N+](=O)[O-] ZINC000038462614 EF Annotated Reactive O=[N+]([O-])OC[C@@H](CSSc1ccc(Cl)cc1)O[N+](=O)[O-] ZINC000038462615 EF Annotated Reactive COc1ccnc(CCc2nc3ncc(Br)cc3[nH]2)c1 ZINC000038476951 EF Annotated Anodyne C[C@@]1(O)CCC[C@]2(C)CCC3=C(CBr)C(=O)O[C@@H]3[C@@H]12 ZINC000038483377 EF Annotated Reactive C[C@H]1OC[C@H]2[C@@H]3Cc4c(n(C)c5ccccc45)[C@H](C[C@H]2[C@H]1C=O)N3C ZINC000038493509 EF Annotated Mild C[C@H]1OC[C@H]2[C@@H]3Cc4c(n(C)c5ccccc45)[C@H](C[C@H]2[C@@H]1C=O)N3C ZINC000038493510 EF Annotated Anodyne C[C@H]1[C@@H](O)[C@H]2OC(=O)C3=CCC[C@@H]([C@]32C)[C@@]1(C)C/C=C1/C=COC1=O ZINC000038493879 EF Annotated Clean CC(=O)CC/C=C/C=C/[C@@H]1CCC[C@H]2N[C@@H](C)[C@@H](OC(=O)CO)C[C@@H]12 ZINC000038494247 EF Annotated Anodyne C=C[C@@H](O)C#CC#C[C@H](O)/C=C\CCCCCCCCOC(C)=O ZINC000038541768 EF Annotated Mild in-vitro biogenic C[C@H]1CC=C2C(CO)(CO)CCC[C@]2(C)[C@H]1CC[C@H](CO)CCO ZINC000038542309 EF Annotated Anodyne c1ccc2c(c1)[C@H]1CC(c3ccn[nH]3)(c3ccn[nH]3)[C@@H]2c2cccc[n+]21 ZINC000038565963 EF Annotated Anodyne CCC(=O)[C@@H]1O[C@](C)(C[C@@H](CC)[C@H](O)CC(=O)OC)C[C@H]1CC ZINC000038607386 EF Annotated Anodyne CCC/C=C/C=C/C=C(\C)[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1OC(=O)CN ZINC000038694102 EF Annotated Anodyne C/C(=C\C[C@H](O)C(C)C)C(=O)[C@@H](C)[C@@H]1CC[C@H](C)[C@H](O)CC(=O)O1 ZINC000038694521 EF Annotated Mild CO[C@H]1c2ccccc2-c2c3c(cc4c2[C@@H]1N(C)C[C@@H]4O)OCO3 ZINC000038782524 EF Annotated Anodyne in-vitro biogenic COc1ccc2c3c1O[C@H]1C[C@@H](OC(C)=O)CC[C@@]31CCN(C)C2 ZINC000038783503 EF Annotated Anodyne O=[N+]([O-])c1cnc(-c2nc(/C=N/N3CCSCC3)cs2)s1 ZINC000038816479 EF Annotated Mild Cc1c(O)cc(O)c2c(=O)c(Cc3ccc4c(c3O)OCO4)coc12 ZINC000038822223 EF Annotated Anodyne CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccc(F)cc1 ZINC000038823104 EF Annotated Anodyne CCCCOC(=O)CCCC(=O)NC[C@H]1CCCN2CCCC[C@H]12 ZINC000038863502 EF Annotated Anodyne CC1=C2[C@@H](C[C@@H]3[C@@](O)(CC[C@@H]4[C@@]5(C)C[C@H]5CC[C@@]34C)[C@@H]2O)OC1=O ZINC000038928458 EF Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@@H]2C(=O)C2=C[C@@H](O)[C@@H](C)[C@](C)(CC1)[C@@]2(C)O ZINC000038928568 EF Annotated Mild COc1ccc([C@H]2N=C(N)NC(c3ccccc3)=C2CC(=O)O)cc1 ZINC000038928735 EF Annotated Anodyne COc1ccc([C@@H]2N=C(N)NC(c3ccccc3)=C2CC(=O)O)cc1 ZINC000038928736 EF Annotated Anodyne Cc1ccc2c(c1)O[C@H]1O[C@]3(CC[C@@]21O)c1ccc(C)cc1O[C@@H]3O ZINC000038962071 EF Annotated Anodyne Cc1ccc2c(c1)O[C@H](O)[C@]21CC[C@@]2(O)c3ccc(C)cc3O[C@H]2O1 ZINC000038962072 EF Annotated Anodyne CC1=C2C=C3CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@]3(O)C[C@H]2OC1=O ZINC000038985253 EF Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC#Cc3ccccc3C#CCC2)cc1 ZINC000039006128 EF Annotated Mild CC1=C[C@@H](O)[C@H](C(C)(C)O)[C@H]2[C@@H]3O[C@@H](C/C(C)=C\CC[C@@]3(C)O)[C@@H]12 ZINC000039028221 EF Annotated Anodyne C=CCC1=C[C@@]2(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000039028431 EF Annotated Mild in-vitro biogenic CC(C)=C/C=C/[C@@]1(CO)OC[C@@H]2[C@@H]1CC[C@@]1(C)C[C@]2(O)CC[C@@H]1O ZINC000039158749 EF Annotated Anodyne CCOC(=O)CCn1c2c(=O)ssc2c2ssc(=O)c21 ZINC000039159430 EF Annotated Anodyne CCOC(=O)[C@H](C)Sc1nnc(-c2c(Cl)c(CC)nn2C)o1 ZINC000039177728 EF Annotated Anodyne CCOC(=O)[C@@H](C)Sc1nnc(-c2c(Cl)c(CC)nn2C)o1 ZINC000039177729 EF Annotated Anodyne Brc1ccc2c(c1)C(c1ccccn1)=NCc1nncn1-2 ZINC000039247022 EF Annotated Anodyne COCCNC(=O)c1cccnc1Sc1cc(OC)ccc1OC ZINC000039263222 EF Annotated Anodyne Cc1ccc(Oc2ncccc2C(=O)N(C)CC2OCCO2)c(C)c1 ZINC000039264213 EF Annotated Anodyne CC1(C)OC[C@H](COC(=O)c2cn3c(ccc4ccccc43)n2)O1 ZINC000039281653 EF Annotated Anodyne CC1(C)OC[C@@H](COC(=O)c2cn3c(ccc4ccccc43)n2)O1 ZINC000039281654 EF Annotated Anodyne CCc1ccc(N/N=C2\CC[C@H](C)n3c2ncc(C(=O)O)c3=O)cc1 ZINC000039305382 EF Annotated Mild CCc1ccc(N/N=C2\CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)cc1 ZINC000039305385 EF Annotated Mild Cc1cccc(C)c1N/N=C1\CC[C@H](C)n2c1ncc(C(=O)O)c2=O ZINC000039425241 EF Annotated Mild Cc1cccc(C)c1N/N=C1/CC[C@@H](C)n2c1ncc(C(=O)O)c2=O ZINC000039425243 EF Annotated Mild COc1ccc(CNc2cc([C@@H]3CCCNC3)ncn2)c(F)c1F ZINC000039429752 EF Annotated Anodyne COc1ccc(CNc2cc([C@H]3CCCNC3)ncn2)c(F)c1F ZINC000039429753 EF Annotated Anodyne Cc1nc(CNc2cc(C3CCNCC3)ncn2)nc2c1CCCC2 ZINC000039490426 EF Annotated Anodyne Cc1nc(CNc2cc([C@@H]3CCCNC3)ncn2)nc2c1CCCC2 ZINC000039508650 EF Annotated Anodyne Cc1nc(CNc2cc([C@H]3CCCNC3)ncn2)nc2c1CCCC2 ZINC000039508653 EF Annotated Anodyne COc1ccccc1-c1ncc(CNc2cc(CN)ncn2)s1 ZINC000039532265 EF Annotated Anodyne Cc1nc(NCCc2cn3ccccc3n2)cc(C2CCNCC2)n1 ZINC000039537009 EF Annotated Anodyne Cn1ccnc1CNc1nncc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000039557969 EF Annotated Anodyne CC(C)(O)c1ccc2c(c1)CC[C@@H]1[C@]2(C)C[C@H](O)C[C@@]1(C)C(=O)O ZINC000039560162 EF Annotated Anodyne in-vitro biogenic CC(C)(O)c1ccc2c(c1)CC[C@@H]1[C@]2(C)C[C@@H](O)C[C@@]1(C)C(=O)O ZINC000039560163 EF Annotated Anodyne in-vitro biogenic COC(=O)[C@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@H]43 ZINC000004000093 EF Annotated Anodyne in-vitro biogenic O=c1oc2ccccc2c(N(CCO)Cc2ccccc2)c1[N+](=O)[O-] ZINC000004011836 EF Annotated Bother COC(=O)[C@@H]1CO[C@@H](C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)S1 ZINC000004020516 EF Annotated Anodyne C=C1[C@H]2CC[C@@]3(CC[C@H]4[C@]5(C=[N+](CCO)C[C@]4(C)CCC5)[C@@H]3C2)[C@@H]1O ZINC000004023273 EF Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@@H]2OC(=O)[C@H](C)[C@H]12 ZINC000004024951 EF Annotated Mild Cc1ccc2cc3cc(C(=O)N4CCC(C(N)=O)CC4)oc3nc2c1 ZINC000004030385 EF Annotated Anodyne Cc1nc2nc(C)c(CCC(=O)NCCC3=CCCCC3)c(C)n2n1 ZINC000004035115 EF Annotated Anodyne Cn1c(=O)cc(SCC(=O)N2CCCC2)c2cc(Cl)ccc21 ZINC000004035234 EF Annotated Anodyne CCOC(=O)c1c(C)c(C(=O)NCc2ccccn2)c(C)n1CC ZINC000004035729 EF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000004049026 EF Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000004049027 EF Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000004049028 EF Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000004049029 EF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004049346 EF Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004049347 EF Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004049348 EF Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004049349 EF Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000004049625 EF Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000004049626 EF Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 ZINC000004049627 EF Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 ZINC000004049628 EF Annotated Anodyne N#CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 ZINC000004049983 EF Annotated Mild N#CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004049984 EF Annotated Mild N#CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 ZINC000004049985 EF Annotated Mild N#CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004049986 EF Annotated Mild COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCC#N ZINC000004050032 EF Annotated Mild COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCC#N ZINC000004050035 EF Annotated Mild COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCC#N ZINC000004050036 EF Annotated Mild COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCC#N ZINC000004050037 EF Annotated Mild COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004050064 EF Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004050068 EF Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 ZINC000004050072 EF Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 ZINC000004050074 EF Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000004050084 EF Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000004050085 EF Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 ZINC000004050086 EF Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 ZINC000004050087 EF Annotated Anodyne O=C([C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1)N1CCOCC1 ZINC000004051911 EF Annotated Anodyne O=C([C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1)N1CCOCC1 ZINC000004051912 EF Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000004052625 EF Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 ZINC000004052633 EF Annotated Anodyne O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 ZINC000004054908 EF Annotated Anodyne O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000004054909 EF Annotated Anodyne O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 ZINC000004054910 EF Annotated Anodyne O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000004054911 EF Annotated Anodyne C[C@]1(C(=O)N[C@@H]2CCCC[C@@H]2O)CON=C1c1ccc(Cl)cc1 ZINC000004055656 EF Annotated Anodyne C[C@@]1(C(=O)N[C@@H]2CCCC[C@@H]2O)CON=C1c1ccc(Cl)cc1 ZINC000004055657 EF Annotated Anodyne C[C@@]1(C(=O)N[C@H]2CCCC[C@@H]2O)CON=C1c1ccc(Cl)cc1 ZINC000004055658 EF Annotated Anodyne Nc1ccc(O)cc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004057961 EF Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@@H]23)[C@@]1(O)CCc1ccoc1 ZINC000004073968 EF Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@H]23)[C@@]1(O)CCc1ccoc1 ZINC000004073969 EF Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@]1(C)CON=C1c1ccc(Cl)cc1 ZINC000004076042 EF Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@]1(C)CON=C1c1ccc(Cl)cc1 ZINC000004076047 EF Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@]1(C)CON=C1c1ccc(Cl)cc1 ZINC000004076050 EF Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@]1(C)CON=C1c1ccc(Cl)cc1 ZINC000004076057 EF Annotated Anodyne CCn1c(=O)cc(OCC(=O)NCc2ccc(C)o2)c2ccccc21 ZINC000004076167 EF Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1 ZINC000004076690 EF Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 ZINC000004076692 EF Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2csc3c2CCCCC3)CC1 ZINC000004076837 EF Annotated Anodyne CCOC(=O)CCn1c2nc(C)cc(C)c2c(=O)n1-c1ccccc1 ZINC000004077988 EF Annotated Anodyne CCn1c(=O)cc(OCC(=O)N2CCCCCC2)c2ccccc21 ZINC000004078101 EF Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccsc1 ZINC000004079768 EF Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1 ZINC000004079773 EF Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1 ZINC000004079793 EF Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 ZINC000004079794 EF Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](NC=O)c1ccc(N(C)C)cc1 ZINC000004083186 EF Annotated Clean COc1cc([C@H]2OC3=C(C(=O)CC(C)(C)C3)C(N)=C2C#N)ccc1O ZINC000004094576 EF Annotated Reactive C[C@H]1C=C2N3CCC[C@@H]4[C@@H]5[C@@H](OC(=O)[C@H]5[C@@H](C)O)[C@H](C1)[C@]24CCC3 ZINC000004098399 EF Annotated Anodyne in-vitro Cn1c(=O)cc(OCC(=O)N2CCCc3ccccc32)c2ccccc21 ZINC000004102124 EF Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2C1=CC(=O)C[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000004102237 EF Annotated Mild in-vitro C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(CO)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000004102243 EF Annotated Mild in-vitro C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@H](O)[C@@H]3O ZINC000004102259 EF Annotated Mild in-vitro COc1cc2c(cc1OC)[C@H]1[C@H]3C(=CC[C@H]1O[C@@H]2OC)CCN3C ZINC000004102431 EF Annotated Anodyne in-vitro COC(=O)N(C)CC[C@@]1(c2ccc(OC)c(OC)c2)C=CC(=O)CC1 ZINC000004102442 EF Annotated Mild in-vitro CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4cccs4)[C@H]3[C@H]1CC2 ZINC000004102630 EF Annotated Reactive O=C(Nc1nnc([C@H]2COc3ccccc3O2)o1)c1ccc(F)cc1 ZINC000004107422 EF Annotated Anodyne O=C(Nc1nnc([C@@H]2COc3ccccc3O2)o1)c1ccc(F)cc1 ZINC000004107423 EF Annotated Anodyne Cn1c(=O)cc(OCCCC(=O)NCc2ccco2)c2ccccc21 ZINC000004111266 EF Annotated Anodyne Cc1nc2sc([C@@H](c3ccco3)N3C[C@H](C)O[C@H](C)C3)c(O)n2n1 ZINC000004121019 EF Annotated Anodyne Cc1nc2sc([C@H](c3ccco3)N3C[C@H](C)O[C@H](C)C3)c(O)n2n1 ZINC000004121020 EF Annotated Anodyne Cc1nc2sc([C@@H](c3ccco3)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1 ZINC000004121021 EF Annotated Anodyne Cc1nc2sc([C@H](c3ccco3)N3C[C@@H](C)O[C@H](C)C3)c(O)n2n1 ZINC000004121022 EF Annotated Anodyne COC1=N[C@@H]2Nc3ccccc3N(C)[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004123743 EF Annotated Bother CC(C)OC(=O)[C@H]1C(=O)N[C@]23CCCC[C@@H]2[C@H]1c1ccccc1O3 ZINC000004125104 EF Annotated Anodyne CC(C)OC(=O)[C@@H]1C(=O)N[C@]23CCCC[C@@H]2[C@H]1c1ccccc1O3 ZINC000004125105 EF Annotated Anodyne CCCCCCO[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]21 ZINC000004131615 EF Annotated Anodyne CCCCCCO[C@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]21 ZINC000004131617 EF Annotated Anodyne CCCCCCO[C@@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]21 ZINC000004131620 EF Annotated Anodyne CCCCCCO[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]21 ZINC000004131625 EF Annotated Anodyne COC(=O)N/C(C)=C1/NC(=O)c2ccccc2[C@@H](c2ccccc2)N1 ZINC000004144685 EF Annotated Anodyne COC(=O)N/C(C)=C1/NC(=O)c2ccccc2[C@H](c2ccccc2)N1 ZINC000004144686 EF Annotated Anodyne COC(=O)c1cc(O)c2c(C)nc(C(Cl)(Cl)Cl)nc2n1 ZINC000004148952 EF Annotated Anodyne CCCCCO[C@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]21 ZINC000004155662 EF Annotated Anodyne CCCCCO[C@@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]21 ZINC000004155665 EF Annotated Anodyne CCCCCO[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]21 ZINC000004155666 EF Annotated Anodyne O=C(O)CSc1nnc(-c2ccncc2)n1CCc1ccccc1 ZINC000004161367 EF Annotated Anodyne C[C@H]1CCC2=NN(C(=O)c3cccnc3)[C@](O)(C(F)(F)F)[C@@H]2C1 ZINC000004162593 EF Annotated Anodyne C[C@H]1CCC2=NN(C(=O)c3cccnc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 ZINC000004162596 EF Annotated Anodyne COc1ccc(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)c([N+](=O)[O-])c1 ZINC000004165724 EF Annotated Bother COc1ccc(NC(=O)[C@H]2CC(=O)OC23CCCCC3)c([N+](=O)[O-])c1 ZINC000004165726 EF Annotated Bother N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@@H](c1cccnc1)O3 ZINC000004183839 EF Annotated Mild N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@H](c1cccnc1)O3 ZINC000004183841 EF Annotated Mild Cc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)cc1 ZINC000004197099 EF Annotated Anodyne O=C(O)[C@H]1CC=C(Cl)C[C@H]1C(=O)NC[C@H]1OCCc2ccccc21 ZINC000004197579 EF Annotated Anodyne O=C(O)[C@H]1CC=C(Cl)C[C@H]1C(=O)NC[C@@H]1OCCc2ccccc21 ZINC000004197580 EF Annotated Anodyne O=C(O)[C@H]1CC=C(Cl)C[C@@H]1C(=O)NC[C@H]1OCCc2ccccc21 ZINC000004197581 EF Annotated Anodyne O=C(O)[C@H]1CC=C(Cl)C[C@@H]1C(=O)NC[C@@H]1OCCc2ccccc21 ZINC000004197582 EF Annotated Anodyne CC(=O)Nc1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)ccc1Cl ZINC000004197647 EF Annotated Anodyne CC(=O)Nc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)ccc1Cl ZINC000004197648 EF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N(C)C ZINC000004205011 EF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)N(C)C ZINC000004205015 EF Annotated Anodyne O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 ZINC000004205820 EF Annotated Anodyne O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000004205821 EF Annotated Anodyne O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 ZINC000004205823 EF Annotated Anodyne O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000004205825 EF Annotated Anodyne C[C@]1(C(=O)N[C@@H]2CCCC[C@@H]2O)CON=C1c1cccc(Cl)c1 ZINC000004207605 EF Annotated Anodyne C[C@@]1(C(=O)N[C@@H]2CCCC[C@@H]2O)CON=C1c1cccc(Cl)c1 ZINC000004207606 EF Annotated Anodyne C[C@@]1(C(=O)N[C@H]2CCCC[C@@H]2O)CON=C1c1cccc(Cl)c1 ZINC000004207607 EF Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@]1(C)CON=C1c1cccc(Cl)c1 ZINC000004208359 EF Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@]1(C)CON=C1c1cccc(Cl)c1 ZINC000004208360 EF Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@]1(C)CON=C1c1cccc(Cl)c1 ZINC000004208361 EF Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@]1(C)CON=C1c1cccc(Cl)c1 ZINC000004208362 EF Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCO ZINC000004213721 EF Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCO ZINC000004213723 EF Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCCO ZINC000004213725 EF Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCO ZINC000004213728 EF Annotated Anodyne N#Cc1ccc(CN2CC3(CCN(C(=O)c4ccco4)CC3)C2)cc1 ZINC000004237930 EF Annotated Mild Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(c3ccccn3)C2)C1 ZINC000004237999 EF Annotated Anodyne Cc1nc2cnc(Oc3cccc(Cl)c3)nc2n(CCC#N)c1=O ZINC000004238285 EF Annotated Mild O=c1c(CCc2ccccc2)nc2cncnc2n1-c1ccccc1 ZINC000004238347 EF Annotated Anodyne COc1ncc2nc(-c3cccs3)c(=O)n(-c3ccccc3)c2n1 ZINC000004238424 EF Annotated Anodyne CN(C)c1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(C3CC3)c2n1 ZINC000004238425 EF Annotated Anodyne N#CCCn1c(=O)cnc2cnc(Oc3cccc(Cl)c3)nc21 ZINC000004238634 EF Annotated Mild COc1ccc(-n2c(=O)c(-c3cccc(F)c3)nc3cncnc32)cc1 ZINC000004238654 EF Annotated Anodyne COc1ccc(-n2c(=O)c(-c3cccs3)nc3cncnc32)cc1 ZINC000004238700 EF Annotated Anodyne CCNc1ncc2nc(CCc3ccccc3)c(=O)n(C3CC3)c2n1 ZINC000004238735 EF Annotated Anodyne Cn1c(=O)c(-c2ccccc2)nc2cnc(OCc3ccccc3)nc21 ZINC000004238864 EF Annotated Anodyne CN(C)c1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(C3CC3)c2n1 ZINC000004239017 EF Annotated Anodyne CN(C)c1ncc2nc(-c3cccs3)c(=O)n(-c3ccccc3)c2n1 ZINC000004239034 EF Annotated Anodyne CN(C)c1ncc2nc(-c3ccccc3)c(=O)n(-c3ccccc3)c2n1 ZINC000004239147 EF Annotated Anodyne COc1ccc(-n2c(=O)c(-c3ccc(F)cc3)nc3cncnc32)cc1 ZINC000004239152 EF Annotated Anodyne CC(=O)c1ccc(NC(=O)c2cnc3scc(C)n3c2=O)cc1 ZINC000004251594 EF Annotated Anodyne Cc1cnc(CNc2ccnc(-c3ccccc3CN(C)C)n2)cn1 ZINC000004264826 EF Annotated Anodyne Cc1cnc(CNc2cc(-c3ccc(C(=O)N(C)C)cc3)ncn2)cn1 ZINC000004265153 EF Annotated Anodyne N#Cc1ccc(Cl)cc1NC(=O)c1cnc2sccn2c1=O ZINC000004265820 EF Annotated Mild Cc1cnc(CNc2cc(-c3ccccc3CN(C)C)ncn2)cn1 ZINC000004266092 EF Annotated Anodyne Cc1cnc(CNc2ncncc2-c2ccccc2CN(C)C)cn1 ZINC000004267230 EF Annotated Anodyne Cc1cnc(CNc2ccnc(-c3ccc(C(=O)N(C)C)cc3)n2)cn1 ZINC000004267797 EF Annotated Anodyne Cc1cnc(CNc2ncncc2-c2ccc(C(=O)N(C)C)cc2)cn1 ZINC000004268340 EF Annotated Anodyne CCOC(=O)CS[C@@H](CC)C(=O)Nc1nnc(C(C)C)s1 ZINC000004274367 EF Annotated Anodyne CCOC(=O)CS[C@H](CC)C(=O)Nc1nnc(C(C)C)s1 ZINC000004274368 EF Annotated Anodyne C=CCN1C[C@@H]2C[C@]3(COc4cc(C)cc(C)c4)C=C[C@]2(O3)C1=O ZINC000004328583 EF Annotated Mild C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CCC[C@H]1C2 ZINC000004423665 EF Annotated Mild O=C(NCCC1=CCCCC1)c1cc2c(s1)CS(=O)(=O)C2 ZINC000004437045 EF Annotated Anodyne Cc1nc2nc(C)c(CCC(=O)N3CCc4ccccc43)c(C)n2n1 ZINC000004437628 EF Annotated Anodyne O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1)N1CCOCC1 ZINC000004489308 EF Annotated Anodyne Cc1ccc2cc(C#N)c(NCCNC(=O)c3ccncc3)nc2c1 ZINC000040011660 EF Annotated Mild O=C(Nc1n[nH]c(Cc2ccccc2)n1)c1cccc2nccnc12 ZINC000040011791 EF Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](O)[C@H]1Br ZINC000040379120 EF Annotated Reactive Cc1nc(N2CCCCC2)c([N+](=O)[O-])n1CC(=O)c1ccccc1 ZINC000040379231 EF Annotated Bother COc1ccc(CN2C[C@@H]3CCC(=O)[C@H]2CN3CC=C(C)C)cc1 ZINC000040379341 EF Annotated Anodyne CC1(C)CNC(=O)c2cc3n(c2C1)CCc1cc([N+](=O)[O-])ccc1-3 ZINC000040379432 EF Annotated Bother Cc1ccc2oc(=O)cc(CC(=O)N/N=C/c3ccc(F)cc3)c2c1 ZINC000040380157 EF Annotated Reactive COc1cc(OC)c2c(c1I)CC(C)(C)NC2 ZINC000040380439 EF Annotated Anodyne C[C@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CCC[C@@]2(C)COC(=O)[C@H]21)COC3=O ZINC000040380514 EF Annotated Anodyne in-vitro biogenic COc1cc2c(c(OC)c1OC)-c1cc3c(cc1COC2=O)OCO3 ZINC000040380721 EF Annotated Anodyne C=CCN1C[C@H]2[C@H](OC)CC[C@@H]1CN2Cc1ccc(OC)cc1OC ZINC000040380758 EF Annotated Mild CC1(C)c2[nH]c3ccccc3c2C[C@@]23CN4CCC[C@]4(C[C@@H]12)C(=O)N3 ZINC000040392159 EF Annotated Anodyne CCC(=O)[C@@H](C)[C@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O ZINC000040392244 EF Annotated Anodyne CCC(=O)[C@H](C)[C@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O ZINC000040392247 EF Annotated Anodyne CCC(=O)[C@@H](C)[C@@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O ZINC000040392250 EF Annotated Anodyne CCC(=O)[C@H](C)[C@@]1(O)c2ccccc2-n2c1nc1ccccc1c2=O ZINC000040392253 EF Annotated Anodyne CC(C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O ZINC000040392468 EF Annotated Anodyne CCOC(=O)c1c2c(n3cccc(C)c13)C(=O)c1cccnc1C2=O ZINC000040392589 EF Annotated Clean CCCC(=O)CCC1=C(O)C(=O)c2cc(OC)c(OC)c(O)c2C1=O ZINC000040392697 EF Annotated Mild C=CCN1C[C@@H]2[C@H](OC)CC[C@H]1CN2Cc1ccc(OC)cc1OC ZINC000040392787 EF Annotated Mild N#Cc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12 ZINC000040392855 EF Annotated Mild C=CCN1C[C@H]2[C@@H](OC)CC[C@@H]1CN2Cc1ccc(OC)cc1OC ZINC000040392915 EF Annotated Mild COC(=O)[C@@]12COCC[C@H]3[C@@H]1CCN(C)[C@H]3c1c2[nH]c2ccccc12 ZINC000040393153 EF Annotated Anodyne CC[C@]12CCCN3CC[C@@]4(c5ccccc5N5[C@H]4[C@]5(C(=O)OC)C1)[C@@H]32 ZINC000040393772 EF Annotated Anodyne O=C(CCc1ccc(/C=N/OCc2ccc([N+](=O)[O-])cc2)cc1)NO ZINC000040394528 EF Annotated Mild C=C1C(=O)O[C@H]2/C=C(\C)C[C@@H]3C=C(C/C=C/[C@@](C)(O)CC[C@H]12)C(=O)O3 ZINC000040395655 EF Annotated Mild O=S(=O)(c1ccsc1)n1ccc2cc3c(cc21)CCNCC3 ZINC000040404496 EF Annotated Anodyne O=C(C(=CN1CCNC1=S)C(=O)c1ccccc1)c1ccccc1 ZINC000040405702 EF Annotated Mild CCOC(=O)c1cc(-c2ccc(OC)cc2)[nH]c1NNC(=O)C(C)C ZINC000040407988 EF Annotated Reactive COC(=O)c1cc(OC)c(OC)c(OC)c1-c1ccccc1CO ZINC000040408413 EF Annotated Anodyne COC(=O)[C@]1(O)C(=O)c2c(O)cc(C)cc2[C@H]2[C@@H](C(C)C)CC[C@]21C ZINC000040410195 EF Annotated Anodyne O=C1CS[C@H](c2c(F)cccc2Cl)N1[C@@H]1CC[C@@H]1[N+](=O)[O-] ZINC000040410443 EF Annotated Bother O=C1CS[C@@H](c2c(F)cccc2Cl)N1[C@@H]1CC[C@@H]1[N+](=O)[O-] ZINC000040410446 EF Annotated Bother O=C1CS[C@H](c2c(F)cccc2Cl)N1[C@H]1CC[C@@H]1[N+](=O)[O-] ZINC000040410449 EF Annotated Bother O=C1CS[C@@H](c2c(F)cccc2Cl)N1[C@H]1CC[C@@H]1[N+](=O)[O-] ZINC000040410452 EF Annotated Bother CN(c1ccc([N+](=O)[O-])cc1)c1cc(C(=O)N2CCCC2)n(C)c1 ZINC000040413783 EF Annotated Bother Cc1cccc(S(=O)(=O)n2c3c(c4ccccc42)CCNCC3)c1 ZINC000040420464 EF Annotated Anodyne C=CCN1C[C@@H]2N(Cc3ccc(OC)cc3)C[C@H]1CCC2(OC)OC ZINC000040421467 EF Annotated Mild CCCCn1nc(C(=O)c2cc(OC)ccc2N)cc1C(=O)OCC ZINC000040422184 EF Annotated Anodyne COc1ccc(C(=O)C[n+]2ccn(-c3ccc(CC(C)=O)cc3)c2)cc1 ZINC000040429251 EF Annotated Mild COC(=O)/C(=C1/OC(=O)C(C)=C1O)c1ccc(Br)cc1 ZINC000040429352 EF Annotated Anodyne C=CCNC(=S)Nc1ccc(OCc2nnc(S)n2CC)cc1 ZINC000040430070 EF Annotated Mild CCOCCOC(=O)c1c(CC)nn(-c2ccc(Cl)cc2)c1N ZINC000040431063 EF Annotated Anodyne O=[S@@]1NC(Cc2cc(Br)c3ccccc3c2)=NO1 ZINC000040454502 EF Annotated Mild O=[S@]1NC(Cc2cc(Br)c3ccccc3c2)=NO1 ZINC000040454505 EF Annotated Mild O=[S@@]1NC(Cc2ccc3cc(Br)ccc3c2)=NO1 ZINC000040454975 EF Annotated Mild O=[S@]1NC(Cc2ccc3cc(Br)ccc3c2)=NO1 ZINC000040454978 EF Annotated Mild O=[S@@]1NC(Cc2ccc3ccc(Br)cc3c2)=NO1 ZINC000040455222 EF Annotated Mild O=[S@]1NC(Cc2ccc3ccc(Br)cc3c2)=NO1 ZINC000040455225 EF Annotated Mild O=C(O)c1cccn1-c1cc2nc(O)c(O)nc2cc1C(F)(F)F ZINC000040465202 EF Annotated Anodyne Cc1cccc(N/N=C2\CC[C@H](C)n3c2ncc(C(=O)O)c3=O)c1C ZINC000040465604 EF Annotated Mild Cc1cccc(N/N=C2\CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)c1C ZINC000040465609 EF Annotated Mild Cc1ccc(N/N=C2\CC[C@H](C)n3c2ncc(C(=O)O)c3=O)cc1C ZINC000040465974 EF Annotated Mild Cc1ccc(N/N=C2\CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)cc1C ZINC000040465977 EF Annotated Mild COc1oc(=O)c2cc(NC(=O)CCCC(=O)O)ccc2c1Cl ZINC000040466070 EF Annotated Anodyne CC1(C)C=C(C(=O)NCCCCNCc2cccs2)C(C)(C)N1 ZINC000040466251 EF Annotated Anodyne C[C@@H]1CC/C(=N\Nc2ccc(Cl)cc2)c2ncc(C(=O)O)c(=O)n21 ZINC000040466384 EF Annotated Mild C[C@H]1CC/C(=N\Nc2ccc(Cl)cc2)c2ncc(C(=O)O)c(=O)n21 ZINC000040466386 EF Annotated Mild C[C@@H]1CC/C(=N\Nc2cccc(Cl)c2)c2ncc(C(=O)O)c(=O)n21 ZINC000040466490 EF Annotated Mild C[C@H]1CC/C(=N\Nc2cccc(Cl)c2)c2ncc(C(=O)O)c(=O)n21 ZINC000040466492 EF Annotated Mild CCCCCOc1ccccc1-c1ncc(-c2nn[nH]n2)c(O)n1 ZINC000040466524 EF Annotated Anodyne CN1CCN(CC2=N[C@H](c3ccccc3)c3ccccc3CN2C)CC1 ZINC000040477248 EF Annotated Anodyne CN1CCN(CC2=N[C@@H](c3ccccc3)c3ccccc3CN2C)CC1 ZINC000040477249 EF Annotated Anodyne C[C@H](C(=O)NCCO)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O ZINC000040499222 EF Annotated Anodyne C[C@@H](C(=O)NCCO)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O ZINC000040499223 EF Annotated Anodyne O[C@]1(c2ccccc2)C2=NCC3(CCNCC3)CN2c2ccccc21 ZINC000040504683 EF Annotated Anodyne O[C@@]1(c2ccccc2)C2=NCC3(CCNCC3)CN2c2ccccc21 ZINC000040504686 EF Annotated Anodyne COC(=O)N1C=CC=C([C@H]2C(C#N)=C(C)N=C(C)/C2=C(/O)OC)C1 ZINC000040511778 EF Annotated Reactive COC(=O)N1C=CC=C([C@@H]2C(C#N)=C(C)N=C(C)/C2=C(/O)OC)C1 ZINC000040511779 EF Annotated Reactive CCCCCc1ccc(-c2cn(-c3n[nH]c(C(=O)OC)n3)nn2)cc1 ZINC000040564013 EF Annotated Anodyne C/C(=N/N=C(\S)N1CCN(c2ccccn2)CC1)c1ccco1 ZINC000040564836 EF Annotated Mild C=C(C)C(=O)OC/C1=C\C[C@@H]2C(=C)C(=O)O[C@H]2C/C(CO)=C/CC1 ZINC000040565670 EF Annotated Mild Oc1ccc(Cl)cc1C1=NN=C(c2cc(Cl)ccc2O)NN1 ZINC000040566745 EF Annotated Clean COC[C@H](C)Nc1nccc(N(C)C(=O)Nc2ccccc2C)n1 ZINC000040566770 EF Annotated Anodyne CCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@]12OC(=O)c1ccccc12 ZINC000040567040 EF Annotated Anodyne CCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@@]12OC(=O)c1ccccc12 ZINC000040567041 EF Annotated Anodyne Cc1nc(N(C)Cc2ccccc2)nc(N2CCCC2)c1[N+](=O)[O-] ZINC000040568183 EF Annotated Bother CCCCN1C(=O)N(CCCC)[C@@]2(OC(=O)c3ccccc32)C1=O ZINC000040568450 EF Annotated Anodyne CCCCN1C(=O)N(CCCC)[C@]2(OC(=O)c3ccccc32)C1=O ZINC000040568452 EF Annotated Anodyne Cc1cc(-c2ccc(F)cc2)ccc1S(=O)(=O)NCCCCO ZINC000040575574 EF Annotated Anodyne N#Cc1ccc(COCc2ccc(-n3cc(C(=O)O)cn3)nc2)cc1 ZINC000040575911 EF Annotated Mild COc1ccc(COCc2ccc(-n3cc(C(=O)O)cn3)nc2)cc1 ZINC000040584749 EF Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@]4(C)C[C@H](O)C[C@@H](C(=O)OC)[C@@H]4CC[C@]3(C2)[C@@H]1O ZINC000040584889 EF Annotated Mild C=C1[C@@H]2CC[C@H]3[C@]4(C)C[C@H](O)C[C@@H](C(=O)OC)[C@H]4CC[C@]3(C2)[C@@H]1O ZINC000040584891 EF Annotated Mild O=C1NC(=O)[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccn3)[C@@H]12 ZINC000040587754 EF Annotated Anodyne CCc1nc2n(c(=O)c1C(=O)O)[C@@H](C)CC/C2=N\Nc1ccccc1 ZINC000040631892 EF Annotated Mild CCc1nc2n(c(=O)c1C(=O)O)[C@H](C)CC/C2=N\Nc1ccccc1 ZINC000040631895 EF Annotated Mild Cc1cc(C)cc(N/N=C2\CC[C@H](C)n3c2ncc(C(=O)O)c3=O)c1 ZINC000040632059 EF Annotated Mild Cc1cc(C)cc(N/N=C2\CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)c1 ZINC000040632061 EF Annotated Mild COc1cccc(OC)c1OC(=O)[C@@H](CCSC)N1CCCC1 ZINC000040632551 EF Annotated Anodyne COc1cccc(OC)c1OC(=O)[C@H](CCSC)N1CCCC1 ZINC000040632553 EF Annotated Anodyne CC1(C)C=C(C(=O)NCCNCc2ccc(Cl)cc2)C(C)(C)N1 ZINC000040641182 EF Annotated Anodyne CC1(C)C=C(C(=O)NCC(C)(C)NCc2cccs2)C(C)(C)N1 ZINC000040641224 EF Annotated Anodyne O=[S@@]1NC(Cc2cc3ccccc3cc2Br)=NO1 ZINC000040688917 EF Annotated Mild O=[S@]1NC(Cc2cc3ccccc3cc2Br)=NO1 ZINC000040688918 EF Annotated Mild O=[S@@]1NC(Cc2ccc3cc(F)ccc3c2Br)=NO1 ZINC000040689039 EF Annotated Mild O=[S@]1NC(Cc2ccc3cc(F)ccc3c2Br)=NO1 ZINC000040689040 EF Annotated Mild COc1ccc([C@H](C(C)=O)[C@H]2C(=O)C(=O)[C@H]2NCCC(C)(C)C)cc1 ZINC000040743221 EF Annotated Clean COc1ccc([C@H](C(C)=O)[C@@H]2C(=O)C(=O)[C@H]2NCCC(C)(C)C)cc1 ZINC000040743225 EF Annotated Clean CCOC(=O)CSC1=C(NCC(C)C)C(=O)c2ccccc2C1=O ZINC000040753420 EF Annotated Mild NCCCNCCCCN(CCCN)Cc1ccc2ccccc2c1 ZINC000040762463 EF Annotated Anodyne COc1cc(/C=N/NC(=S)Nc2ncc(C3CCC3)o2)ccc1O ZINC000040763427 EF Annotated Mild C/C(=N/N=C(\S)N1CCN(c2ccccn2)CC1)c1cccs1 ZINC000040764076 EF Annotated Mild C=C1C(=O)[C@@]23CC[C@H]4[C@H](C(=O)OC)C[C@@H](O)C[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000040764164 EF Annotated Mild Fc1ccc(CCn2nnn[n+]2C2(c3ccc(Cl)cc3)CC2)cc1 ZINC000040764204 EF Annotated Anodyne CCOC(=O)CSC1=C(NC(C)C)C(=O)c2ccccc2C1=O ZINC000040767400 EF Annotated Mild CN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccco2)/C(=C/c2ccco2)C1 ZINC000040781805 EF Annotated Reactive CN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccco2)/C(=C/c2ccco2)C1 ZINC000040781807 EF Annotated Reactive N[C@@]12CCCC[C@@H](CC1)[C@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000040789713 EF Annotated Anodyne CCN(CC)CCS/C(=N\O)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000040802269 EF Annotated Mild O=C1CC[C@@H](CCCC[C@@H]2CC(C(=O)NCc3ccccc3)=NO2)O1 ZINC000040828951 EF Annotated Anodyne O=C1CC[C@@H](CCCC[C@H]2CC(C(=O)NCc3ccccc3)=NO2)O1 ZINC000040828954 EF Annotated Anodyne O=C1CC[C@H](CCCC[C@@H]2CC(C(=O)NCc3ccccc3)=NO2)O1 ZINC000040828956 EF Annotated Anodyne O=C1CC[C@H](CCCC[C@H]2CC(C(=O)NCc3ccccc3)=NO2)O1 ZINC000040828958 EF Annotated Anodyne CCOCCOC(=O)c1c(SC)nn(-c2ccc(C)cc2)c1N ZINC000040828989 EF Annotated Anodyne N#Cc1c(-c2ccccc2)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000040829009 EF Annotated Mild Cc1csc(NC(=O)c2cc(Sc3ncn[nH]3)ccc2N)n1 ZINC000040829117 EF Annotated Anodyne Cc1ccccc1-n1c(=O)c2ccccc2n2c(N3CCCC3)nnc12 ZINC000040829233 EF Annotated Anodyne COC(=O)/C(C)=C1/OC(=O)C(c2ccc(Br)cc2)=C1O ZINC000040834255 EF Annotated Anodyne N#Cc1c(-c2ccc(Cl)cc2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] ZINC000040834842 EF Annotated Mild CC(C)(C)OC(=O)N1CC=C(c2cn(-c3cccnc3)nn2)CC1 ZINC000040835260 EF Annotated Anodyne COc1cc2c(=O)oc3cc4c(cc3c2c(OC)c1OC)OCO4 ZINC000040835306 EF Annotated Bother CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ncccc3F)nn2)CC1 ZINC000040835844 EF Annotated Anodyne C=C[C@]1(C)O[C@@]2(C)C[C@H](O)[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@@H]2C[C@@H]1O ZINC000040836486 EF Annotated Mild C=C[C@]1(C)O[C@@]2(C)C[C@H](O)[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@@H]2CC1=O ZINC000040836488 EF Annotated Mild Cn1nc(Cc2ccc(F)cc2)nc1-c1ncc2cccnc2c1O ZINC000040836691 EF Annotated Anodyne CC[C@]12CCCN3CC[C@]4([C@@H](N[C@@H]5CCCC[C@@H]54)[C@@H](C(=O)OC)C1)[C@@H]32 ZINC000040845985 EF Annotated Anodyne CC[C@]12CCCN3CC[C@]4([C@@H](N[C@@H]5CCCC[C@@H]54)[C@@H](C(=O)O)C1)[C@@H]32 ZINC000040845987 EF Annotated Anodyne O=C1C=C[C@]23Oc4ccc(O)c5c4[C@](CCC5=O)(Oc4cccc1c42)O3 ZINC000040847028 EF Annotated Mild CC(=C/C(=O)c1ccc[nH]1)/C=C/[C@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1 ZINC000040847902 EF Annotated Mild CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ccccn3)nn2)CC1 ZINC000040847951 EF Annotated Anodyne CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ccncc3)nn2)CC1 ZINC000040848055 EF Annotated Anodyne CCOc1nc(S(=O)(=O)c2ccc(C)cc2)cc(O)c1Cl ZINC000040848058 EF Annotated Anodyne CS(=O)(=O)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 ZINC000040848242 EF Annotated Anodyne Cc1cc2c(cc1C)[n+]([O-])c(-c1ccc(Cl)cc1)c(C#N)[n+]2[O-] ZINC000040848353 EF Annotated Mild COC(=O)[C@H](CSC)NC(=O)c1cnc2ccccc2c1Cl ZINC000040848366 EF Annotated Anodyne CCSC(SCC)[C@@H]1O[C@H](c2ccccc2)O[C@H](CO)[C@@H]1O ZINC000040848651 EF Annotated Anodyne CCOC(=O)c1c2c(n3cccc(C)c13)C(=O)c1ncccc1C2=O ZINC000040848729 EF Annotated Clean COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3cc(O)ccc32)c1 ZINC000040860203 EF Annotated Anodyne COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3cc(O)ccc32)c1 ZINC000040860205 EF Annotated Anodyne CCOC(=O)c1c(-c2ccc(Cl)cc2)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000040860966 EF Annotated Anodyne Oc1cc(C2=NCCN2)ccc1-c1cc2ccc(C3=NCCN3)cc2o1 ZINC000040861081 EF Annotated Anodyne Oc1ccc(C2=NCCN2)cc1-c1cc2ccc(C3=NCCN3)cc2o1 ZINC000040861108 EF Annotated Anodyne Cc1c(C(=O)Nc2ccccc2O)nnn1Cc1ccccc1F ZINC000040861156 EF Annotated Anodyne CNc1nc(C(F)(F)F)nc2c(Cc3ccccc3OC)cnn12 ZINC000040861541 EF Annotated Anodyne C=CCN1C[C@@H]2[C@@H](OC)CC[C@H]1CN2Cc1ccc(OC)cc1OC ZINC000040862652 EF Annotated Mild CC1=C(C)C(=O)c2c(nc(CC3([N+](=O)[O-])CCCCC3)n2C)C1=O ZINC000040863172 EF Annotated Mild C=C1CC[C@@H]2C(=C)C(=O)O[C@H]2/C=C(\C)C[C@@H]2C=C(CC[C@H]1O)C(=O)O2 ZINC000040864089 EF Annotated Mild COc1cc(OC)c2c(=O)c3ccccc3n(C)c2c1COC(C)=O ZINC000040864679 EF Annotated Bother COc1cccc2c1-c1c3c(c(OC)c4c1C(=NCC4)C2=O)OCO3 ZINC000040865121 EF Annotated Clean CC(=O)C1=CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C ZINC000040866926 EF Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@]1(C)[C@@H]3O[C@@H]3[C@H](OC(=O)C=C(C)C)C(=C)[C@@H]21 ZINC000040867305 EF Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@]1(C)[C@@H]3O[C@@H]3[C@H](OC(=O)CC(C)C)C(=C)[C@@H]21 ZINC000040867306 EF Annotated Mild C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]3C(C)=CC[C@@H]3[C@@](C)(O)CC[C@H]21 ZINC000040872465 EF Annotated Anodyne CC1=C[C@@H](O)[C@H](C(C)(C)O)[C@H]2[C@@H]3O[C@@H](C/C(C)=C/CC[C@@]3(C)O)[C@@H]12 ZINC000040872509 EF Annotated Anodyne COc1cc(CO)c(Oc2cc(C)cc(O)c2C(=O)O)c(OC)c1 ZINC000040872551 EF Annotated Anodyne CC1(C)CCC[C@]2(C)[C@H]3Cc4occc4[C@@](C)(O)[C@@H]3[C@@H](O)[C@H](O)[C@@H]12 ZINC000040873085 EF Annotated Anodyne Cc1nc2c(nc1C)C(=O)C(Nc1cc(F)c(F)c(F)c1)=CC2=O ZINC000040874354 EF Annotated Mild Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ccc4c3)c2n1 ZINC000040875052 EF Annotated Anodyne O=C1CCCC[C@H]1S(=O)(=O)Nc1ccccc1Br ZINC000040875439 EF Annotated Anodyne O=C1CCCC[C@@H]1S(=O)(=O)Nc1ccccc1Br ZINC000040875441 EF Annotated Anodyne C=C1CC[C@@H]2[C@](C)(CO)C(=O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000040875735 EF Annotated Mild in-vitro biogenic COC1=CC(=O)c2ccc3cc(OC)c(OC)c(OC)c3c2C1=O ZINC000040876259 EF Annotated Mild Nc1ccc(CCn2cnc3c(Nc4cccc(N)c4)ncnc32)cc1 ZINC000040878458 EF Annotated Clean Nc1ccc(Cn2cnc3c(Nc4cccc(N)c4)ncnc32)cc1 ZINC000040878469 EF Annotated Clean C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2/C=C(\C)C[C@H]2C=C(CCC1=O)C(=O)O2 ZINC000040891613 EF Annotated Mild NS(=O)(=O)NCc1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1 ZINC000040892070 EF Annotated Anodyne NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)c(F)c2)cn1 ZINC000040892336 EF Annotated Anodyne C[C@@H](CO)NC(=O)c1ccc2oc3cc(Cl)ccc3c(=O)c2c1 ZINC000040892787 EF Annotated Bother C[C@H](CO)NC(=O)c1ccc2oc3cc(Cl)ccc3c(=O)c2c1 ZINC000040892790 EF Annotated Bother COc1ccc(CN2C[C@H]3CCC(=O)[C@@H]2CN3CC=C(C)C)cc1 ZINC000040893099 EF Annotated Anodyne CCOC(=O)c1cc(-c2ccc(OC)cc2)[nH]c1NNC(=O)CC ZINC000040893108 EF Annotated Reactive c1cc([C@@H]2CCCN(CCc3cscn3)C2)nc(NC2CC2)n1 ZINC000040898718 EF Annotated Anodyne c1cc([C@H]2CCCN(CCc3cscn3)C2)nc(NC2CC2)n1 ZINC000040898722 EF Annotated Anodyne O=[N+]([O-])c1ccc(/C=N/NC(=S)Nc2ccc(Cl)cn2)o1 ZINC000040898726 EF Annotated Mild CCCCNC(=O)/C(C)=C1/OC(=O)C(c2ccc(OC)cc2)=C1O ZINC000040899204 EF Annotated Anodyne N#Cc1c(-c2ccc(OC(F)(F)F)cc2)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000040899450 EF Annotated Mild COc1ccc2nc(Nc3nc4cc(N)ccc4c(=O)[nH]3)nc(C)c2c1 ZINC000040900717 EF Annotated Anodyne COc1cc([C@H]2NC(=O)c3c(C)cc(C)nc3N2)cc(OC)c1OC ZINC000040901209 EF Annotated Anodyne COc1cc([C@@H]2NC(=O)c3c(C)cc(C)nc3N2)cc(OC)c1OC ZINC000040901212 EF Annotated Anodyne Cc1ccc2c(c1)C(=O)N(CCOC(=S)NC1CCCCC1)C2=O ZINC000040913537 EF Annotated Anodyne Cc1ccc(NC(=S)N/N=C2\C(=O)N(C)c3ccc(C)cc32)cc1 ZINC000040915747 EF Annotated Mild CC[C@@H](C)Sc1nnc(CSc2nc3nc(C)ccn3n2)o1 ZINC000040916181 EF Annotated Anodyne CC[C@H](C)Sc1nnc(CSc2nc3nc(C)ccn3n2)o1 ZINC000040916183 EF Annotated Anodyne O=S(=O)(c1ccccc1)n1ccc2cc3c(cc21)CCNCC3 ZINC000040916226 EF Annotated Anodyne COC(=O)c1sc(N(Cc2ccc(C(C)=O)cc2)C(C)=O)nc1C ZINC000040917388 EF Annotated Anodyne Cc1ccc2c(c1)/C(=N/NC(=S)Nc1ccc(F)cc1)C(=O)N2C ZINC000040917460 EF Annotated Mild COc1cc(O)c(C(=O)/C=C/c2ccco2)cc1CN1CCOCC1 ZINC000040917510 EF Annotated Mild C[C@@]12CC[C@H](O)[C@@H]3COC(=C31)C(=O)c1cc3c(cc12)CCC[C@H]3O ZINC000040917801 EF Annotated Mild C[C@@]12CC[C@H](O)[C@@H]3COC(=C31)C(=O)c1cc3c(cc12)CCC[C@@H]3O ZINC000040917802 EF Annotated Mild COC(=O)c1cc(OC)c(OC)c(OC)c1-c1ccccc1C=O ZINC000040917804 EF Annotated Anodyne CCOP(=O)(OCC)C1=C(N)C2(N=N1)C(=O)c1ccccc1C2=O ZINC000040918232 EF Annotated Clean CN1CC[C@H](N(Cc2ccccc2-c2ccccc2)S(C)(=O)=O)C1 ZINC000040918441 EF Annotated Anodyne COc1cc(OC)c2c(=O)cc(-c3ccc(O)c(N)c3)n(C)c2c1 ZINC000040919126 EF Annotated Anodyne CCC[C@H](CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 ZINC000040933162 EF Annotated Anodyne O=C(C[P@@](=O)(O)OCc1ccccc1)c1ccc2[nH]c(=O)oc2c1 ZINC000040933928 EF Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1\CCOC1=O ZINC000040934854 EF Annotated Mild Cc1ccc(-n2c(N)c(C#N)c3c2C(=O)c2ncccc2C3=O)c(C)c1 ZINC000040935295 EF Annotated Mild C=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1C(=O)O[C@@]2(/C=C/[C@H]1OC1(C)C)CO ZINC000040936133 EF Annotated Mild C=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1C(=O)O[C@@]2(/C=C/[C@@H]1OC1(C)C)CO ZINC000040936135 EF Annotated Mild Oc1ccc(C2=NCCN2)cc1-c1cc2cc(C3=NCCN3)ccc2o1 ZINC000040937245 EF Annotated Anodyne Oc1cc(C2=NCCN2)cc2cc(-c3ccc(C4=NCCN4)cc3)oc12 ZINC000040938114 EF Annotated Anodyne O=c1c2ccccc2sn1/N=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000040938539 EF Annotated Mild Cc1ccc(/C=N\NC(=O)c2cc3nc(C)[nH]c3cc2[N+](=O)[O-])cc1 ZINC000040939161 EF Annotated Reactive Oc1cc(C2=NCCN2)ccc1-c1cc2cc(C3=NCCN3)ccc2o1 ZINC000040940067 EF Annotated Anodyne O=C1OCC2=C1[C@H](c1cccc(F)c1)c1cc3c(cc1N2)OCO3 ZINC000040940591 EF Annotated Anodyne O=C1OCC2=C1[C@@H](c1cccc(F)c1)c1cc3c(cc1N2)OCO3 ZINC000040940593 EF Annotated Anodyne CCn1cc(C(=O)NC)c(=O)c2cc(F)c3c(nc(C(C)C)n3C)c21 ZINC000040940595 EF Annotated Anodyne CN(C)c1ccc(N2C(=O)c3ccc(OCCF)cc3C2=O)cc1 ZINC000040943735 EF Annotated Anodyne Cn1nc(-c2ncc3cccnc3c2O)nc1Cc1ccc(F)cc1 ZINC000040949380 EF Annotated Anodyne COc1cccc2cc(CSc3nc4ncncc4[nH]3)c(=O)oc12 ZINC000040950190 EF Annotated Anodyne COc1ccc(Sc2ccccc2/C=N/NC(=N)N)cc1OC ZINC000040950228 EF Annotated Mild CCCCc1ccc(CN[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1 ZINC000040950262 EF Annotated Bother CC(CO)(CO)NCc1c2ccccc2nc2c1[nH]c1ccccc12 ZINC000040950682 EF Annotated Bother CCOC(=O)C[C@@H]1CC2=C(C(=O)c3ccccc3C2=O)C(C)(C)O1 ZINC000040950845 EF Annotated Mild CCOCCOC(=O)c1c(SC)nn(-c2ccc(C)cc2C)c1N ZINC000040952882 EF Annotated Anodyne C=CCn1c(COc2ccc(NC(=S)NC)cc2)n[nH]c1=S ZINC000040953195 EF Annotated Mild COC(=O)c1c(C)nc(C)c2c1C(=O)C=C(NC1CCCCC1)C2=O ZINC000040953448 EF Annotated Mild CC1=NN(c2ccc(OCCCCCCO[N+](=O)[O-])cc2)C(=O)C1 ZINC000040953692 EF Annotated Anodyne CNC(=N)N/N=C/c1ccccc1Sc1cc(OC)ccc1OC ZINC000040957348 EF Annotated Mild CN(C)CCCN(C)c1cncc(-c2cccc(/C=C/C(=O)O)c2)n1 ZINC000040957394 EF Annotated Anodyne COC(=O)c1c(C)nc(C)c2c1C(=O)C=C(Nc1ccccc1)C2=O ZINC000040972267 EF Annotated Mild C[C@H](Cc1cccc(F)c1)Oc1nc(N2CCNC[C@H]2C)ncc1F ZINC000040972622 EF Annotated Anodyne CCNC(=S)Nc1ccc(OCc2n[nH]c(=S)n2CC)cc1 ZINC000040972648 EF Annotated Anodyne CN(Cc1cc(-c2ccccc2Cl)no1)C(=O)C1CCNCC1 ZINC000040974148 EF Annotated Anodyne C[C@H](C(=O)OCCO[N+](=O)[O-])c1ccc(C(=O)c2cccs2)cc1 ZINC000040974365 EF Annotated Anodyne C[C@@H](C(=O)OCCO[N+](=O)[O-])c1ccc(C(=O)c2cccs2)cc1 ZINC000040974367 EF Annotated Anodyne O=C1NS(=O)(=O)N(Cc2cccc3ccccc23)c2ccsc21 ZINC000040974856 EF Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CO)[C@@H](O)CC[C@]2(C)[C@H]1/C=C/C1=CCOC1=O ZINC000040975391 EF Annotated Mild CC(C)C[C@@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 ZINC000040975816 EF Annotated Anodyne CC(=O)NCCSC(=O)CCCCCCNC(=O)OC(C)(C)C ZINC000040979148 EF Annotated Anodyne CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000040979747 EF Annotated Anodyne CCN(CC)CCSc1cc(Cl)c(C)cc1S(N)(=O)=O ZINC000040980500 EF Annotated Anodyne CN1CCN(Cc2csc(N)c2C(=O)c2ccc(Cl)cc2)CC1 ZINC000040980788 EF Annotated Anodyne CN1CCC(=NNC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000042175528 EF Annotated Reactive CCCC(=O)Nc1cc(-c2cc(C(=O)O)no2)ccc1NC(C)=O ZINC000042920164 EF Annotated Anodyne O=C1c2ccc(O)c(O)c2C(=O)N1Cc1c(F)ccc(F)c1Cl ZINC000042921007 EF Annotated Clean COc1cccc(-c2[nH]nc3c2CN(Cc2cnn(C)c2C)CC3)c1 ZINC000042942869 EF Annotated Anodyne CCCc1ccc2c(c1)[C@H](CC(=O)OCC)C(C(=O)OCC)=C(N)O2 ZINC000042964140 EF Annotated Anodyne CCCc1ccc2c(c1)[C@@H](CC(=O)OCC)C(C(=O)OCC)=C(N)O2 ZINC000042964142 EF Annotated Anodyne CN1CCN(C(=S)SCc2coc3ccccc3c2=O)CC1 ZINC000042966983 EF Annotated Anodyne CNC(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1 ZINC000042989829 EF Annotated Anodyne CCCN(C[C@H](O)CO/N=C(\F)c1nc2ccccc2o1)C(C)C ZINC000043010228 EF Annotated Mild CCCN(C[C@@H](O)CO/N=C(\F)c1nc2ccccc2o1)C(C)C ZINC000043010231 EF Annotated Mild CN(Cc1ccc(Cl)cc1)Cn1nc(-c2ccncc2)oc1=O ZINC000043010501 EF Annotated Anodyne O=C1c2ccc(O)c(O)c2C(=O)N1Cc1cc(Cl)c(F)cc1F ZINC000043010846 EF Annotated Clean [O-][n+]1nc2c(Br)cnn2c2cc(-c3ccccc3)ccc21 ZINC000043012000 EF Annotated Anodyne Nc1ccccc1-c1nnc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)o1 ZINC000043013419 EF Annotated Anodyne aggregator O[C@@H](CO/N=C(\Cl)c1nc2ccccc2o1)CN1CCCCC1 ZINC000043013839 EF Annotated Mild O[C@H](CO/N=C(\Cl)c1nc2ccccc2o1)CN1CCCCC1 ZINC000043013841 EF Annotated Mild O=C(O)c1ccccc1-c1nccn1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000043014176 EF Annotated Bother O=C(NCCCO)c1cnc2c3c(cccc13)-c1ccccc1C2=O ZINC000043015982 EF Annotated Anodyne CCCN(CC)C[C@H](O)CO/N=C(\Cl)c1nc2ccccc2o1 ZINC000043018733 EF Annotated Mild CCCN(CC)C[C@@H](O)CO/N=C(\Cl)c1nc2ccccc2o1 ZINC000043018735 EF Annotated Mild CC(C)c1c(C(=O)c2ccccc2)n(CC2CC=CC2)c(=O)[nH]c1=O ZINC000043020808 EF Annotated Anodyne CC(C)(C)c1cc(NC(=O)c2nnc(-c3ccccc3N)o2)n[nH]1 ZINC000043021993 EF Annotated Anodyne aggregator O=C1c2ccc(O)c(O)c2C(=O)N1Cc1cccc(Br)c1 ZINC000043022346 EF Annotated Clean COC(=O)Cc1cc(O)cc2oc(CCCCC[C@H](C)O)cc(=O)c12 ZINC000043022671 EF Annotated Anodyne COC(=O)Cc1cc(O)cc2oc(CCCCC[C@@H](C)O)cc(=O)c12 ZINC000043022674 EF Annotated Anodyne COc1cc2c(cc1O)[C@H](c1ccc(O)c(O)c1)[C@H]1COC[C@@H]1C2 ZINC000043023227 EF Annotated Clean CC1(C)CC(=O)c2c(c(C(C)(C)[C@@H]3CO3)c3oc(=O)ccc3c2O)O1 ZINC000043024696 EF Annotated Anodyne CC1(C)CC(=O)c2c(c(C(C)(C)[C@H]3CO3)c3oc(=O)ccc3c2O)O1 ZINC000043024699 EF Annotated Anodyne CN(Cc1ccccc1Cl)Cn1nc(-c2ccncc2)oc1=O ZINC000043059554 EF Annotated Anodyne CN(C)CCCOc1c2oc(=O)ccc2cc2c1oc1nnccc12 ZINC000043060196 EF Annotated Bother COc1cc(CCCO)cc2c1O[C@@H](c1ccc(O)cc1)[C@@H]2CO ZINC000043060422 EF Annotated Anodyne COc1cc(CCCO)cc2c1O[C@H](c1ccc(O)cc1)[C@H]2CO ZINC000043060425 EF Annotated Anodyne CNc1nc2[nH]c(-c3cccc(CNC(C)=O)c3)cc2c2c1ncn2C ZINC000043063054 EF Annotated Anodyne C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CNNC(C)(C)C)[C@@H]2CC1 ZINC000043066507 EF Annotated Anodyne N#Cc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1 ZINC000043069790 EF Annotated Mild COc1ccc(NC(=O)c2nnc(-c3ccccc3N)o2)c(OC)c1 ZINC000043073788 EF Annotated Anodyne Cc1cc(C)cc(C(=O)c2c(C)c(=O)[nH]c(=O)n2CC2CC=CC2)c1 ZINC000043078469 EF Annotated Anodyne Oc1ccc(C/N=N/c2ccc3nnc(C(F)(F)F)n3n2)c(O)c1 ZINC000043080231 EF Annotated Clean O=C(O)CCCC(=O)O[C@]12CCCC[C@H]1[C@@H]1CCCC[C@@]1(O)OO2 ZINC000043100890 EF Annotated Reactive O=C1c2c(ccc(O)c2O)CN1Cc1c(F)c(F)c(F)c(F)c1F ZINC000043121365 EF Annotated Clean O=S(=O)(c1c(Cl)nc2sccn12)n1ccc2ncccc21 ZINC000043123421 EF Annotated Anodyne C[C@@]1(CO)C=Cc2c(ccc3c2OC[C@@H](c2ccc(O)cc2O)C3)O1 ZINC000043153669 EF Annotated Anodyne Oc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ns1 ZINC000043175763 EF Annotated Anodyne CCc1n[nH]c(CC)c1CC(=O)NCc1ccc(F)c(F)c1F ZINC000043177556 EF Annotated Anodyne Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(C2CCOCC2)n1 ZINC000043199900 EF Annotated Anodyne O=C(Nc1cccnn1)N1CC(Oc2ccc(-c3ccccc3)cn2)C1 ZINC000043207545 EF Annotated Anodyne Cc1cc(O)c2c3c(c(O)c(O)c2c1)C(=O)c1c(O)cccc1C3=O ZINC000043207882 EF Annotated Clean CCCSc1ncncc1C(=O)NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2 ZINC000043208358 EF Annotated Anodyne C[C@@H](CN(C)C)Oc1nc(Nc2cc3ccccc3cn2)cnc1C#N ZINC000043208605 EF Annotated Mild C[C@H](CN(C)C)Oc1nc(Nc2cc3ccccc3cn2)cnc1C#N ZINC000043208606 EF Annotated Mild CCCCCCCCCCOC[C@@H]1CNc2nc(N)[nH]c(=O)c2N1 ZINC000043328006 EF Annotated Mild CCCCCCCCCCOC[C@H]1CNc2nc(N)[nH]c(=O)c2N1 ZINC000043328007 EF Annotated Mild CCOC(=O)CC[C@]12CC[C@H]3[C@H](C)CC[C@@H]4CCO[C@H](O1)[C@]34OO2 ZINC000043328077 EF Annotated Reactive CCOC(=O)CC[C@@]12CC[C@H]3[C@H](C)CC[C@H]4CCO[C@H](O1)[C@]43OO2 ZINC000043379665 EF Annotated Reactive CO[C@]12C[C@H](CC[C@@H]1C)[C@](C)(CI)OO2 ZINC000043393796 EF Annotated Reactive CO[C@]12C[C@H](CC[C@@H]1C)[C@@](C)(CI)OO2 ZINC000043393799 EF Annotated Reactive CCCCCCCc1nnnn1CC#CI ZINC000043411440 EF Annotated Mild COC(=O)[C@H](C#N)C1=C(Sc2ccccc2)C(=O)C(C)=C(C)C1=O ZINC000043524047 EF Annotated Mild COC(=O)[C@@H](C#N)C1=C(Sc2ccccc2)C(=O)C(C)=C(C)C1=O ZINC000043524050 EF Annotated Mild CN(C)C(=O)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000043552625 EF Annotated Reactive c1ccc(COC[C@@H]2OO[C@H](COCc3ccccc3)[C@H]3O[C@@H]23)cc1 ZINC000043552963 EF Annotated Reactive c1ccc(COC[C@@H]2OO[C@H](COCc3ccccc3)[C@@H]3O[C@H]23)cc1 ZINC000043552991 EF Annotated Reactive C1CC2(CCC1Cc1nnn[nH]1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000043569570 EF Annotated Reactive CCCCCCCCCCC[C@H]1C(=O)O[C@@]2(CO)COC(=O)[C@@H]12 ZINC000043598292 EF Annotated Mild CC1(C)C=C(n2ccccc2=O)c2cc(S(=O)(=O)F)ccc2O1 ZINC000043640869 EF Annotated Unstable O=C(O)C[C@@H]1CCCCC12OOC1(CCCC[C@@H]1CC(=O)O)OO2 ZINC000043706565 EF Annotated Reactive CCCOC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4cccc(Cl)c4)C(=O)[C@@H]13)O2 ZINC000043727042 EF Annotated Anodyne CC(C)[C@@H]1C[C@@H](OO)N[P@](=O)(N(CCCl)CCCl)O1 ZINC000043815770 EF Annotated Reactive CO[C@@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)N(C)C)[C@@]31OO2 ZINC000043834719 EF Annotated Reactive CO[C@@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)N(C)C)[C@]31OO2 ZINC000043834724 EF Annotated Reactive CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)/C=C/c1ccc([N+](=O)[O-])o1 ZINC000043888095 EF Annotated Reactive CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)C(C(=O)O)=C[C@]3(C)CC[C@@H]12 ZINC000043911158 EF Annotated Reactive CCCCCCCC#Cc1cc2cn(COCCO)c(=O)nc2o1 ZINC000044264742 EF Annotated Mild N#C/C=C(\C(N)=C(C#N)C#N)c1ccc(-c2cccc(C(=O)O)c2)o1 ZINC000044265268 EF Annotated Reactive C#C/C=C\C[C@H]1O[C@@H]2C[C@H](Br)[C@@H](CC)O[C@H]1C[C@H]2OO ZINC000044265583 EF Annotated Reactive Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c2oc3ccc([N+](=O)[O-])cc3c(=O)c12 ZINC000044431180 EF Annotated Bother C=C1C[C@@H]2[C@](C)(CC[C@H](O)[C@]2(C)CO)C2=C1C(=O)C(C(C)C)=CC2=O ZINC000044431814 EF Annotated Mild CCc1cc(O)nc(SCc2nc3cc(C(=O)O)ccc3[nH]2)n1 ZINC000044881355 EF Annotated Anodyne CCn1cc(C(=O)NCCC(C)C)c2cc(OC)c(OC)cc2c1=O ZINC000004563325 EF Annotated Anodyne C=CCn1c(-c2cccs2)nn([C@H]2CC(=O)[C@H]3OC[C@@H]2O3)c1=S ZINC000004580194 EF Annotated Mild Cc1cc2[n+](c3ccccc13)C[C@H](CI)O2 ZINC000004601756 EF Annotated Reactive Cc1cc2[n+](c3ccccc13)C[C@@H](CI)O2 ZINC000004601757 EF Annotated Reactive Cc1cccnc1-n1ccnc1[S@@](=O)Cc1ccccc1N(C)C ZINC000004626785 EF Annotated Anodyne O=[S@]1NC(Cc2ccc3cccc(Br)c3c2)=NO1 ZINC000004637403 EF Annotated Mild Cc1c(O)n[nH]c1C(=O)N/N=C/C(Br)=C/c1ccccc1 ZINC000004638327 EF Annotated Reactive O=C1Nc2ccccc2[C@](O)(C(=O)N2CCCC2)N1c1ccccc1 ZINC000004672518 EF Annotated Anodyne O=C1Nc2ccccc2[C@@](O)(C(=O)N2CCCC2)N1c1ccccc1 ZINC000004672519 EF Annotated Anodyne O=C(C1CC1)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)C(F)(F)F ZINC000004676966 EF Annotated Anodyne O=C(C1CC1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)C(F)(F)F ZINC000004676969 EF Annotated Anodyne CC[C@H]1Oc2ccccc2N(CC(=O)N[C@@H]2CCCC[C@@H]2C)C1=O ZINC000004686890 EF Annotated Anodyne CC[C@@H]1Oc2ccccc2N(CC(=O)N[C@@H]2CCCC[C@@H]2C)C1=O ZINC000004686894 EF Annotated Anodyne CC[C@H]1Oc2ccccc2N(CC(=O)N[C@H]2CCCC[C@@H]2C)C1=O ZINC000004686897 EF Annotated Anodyne CC[C@@H]1Oc2ccccc2N(CC(=O)N[C@H]2CCCC[C@@H]2C)C1=O ZINC000004686900 EF Annotated Anodyne CC[C@H]1Oc2ccc(C)cc2N(CC(=O)N2CCCCCC2)C1=O ZINC000004687274 EF Annotated Anodyne CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)N2CCCCCC2)C1=O ZINC000004687275 EF Annotated Anodyne C[C@@H]1CCCCN1CCCNC(=O)[C@@H]1CCC(=O)N1C1CCCCC1 ZINC000004708829 EF Annotated Anodyne C[C@H]1CCCCN1CCCNC(=O)[C@@H]1CCC(=O)N1C1CCCCC1 ZINC000004708834 EF Annotated Anodyne CC(C)NC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCCCC1)S2 ZINC000004711505 EF Annotated Anodyne CC(C)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCCCC1)S2 ZINC000004711507 EF Annotated Anodyne C/C(=N\NC(=O)c1nc2ccccn2c1C)c1ccc2c(c1)OCO2 ZINC000004863948 EF Annotated Reactive O=C(NCc1ccccn1)c1nnc(Cc2ccc(Cl)cc2)o1 ZINC000004885779 EF Annotated Anodyne CCCN1[C@H]2CCC[C@@H]1CC(NC(=S)NCCCOCC)C2 ZINC000004886755 EF Annotated Anodyne C[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC(C)(C)C ZINC000004889905 EF Annotated Anodyne C[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NC(C)(C)C ZINC000004889906 EF Annotated Anodyne COc1ccc(CCNCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1OC ZINC000004894585 EF Annotated Anodyne COc1ccc(CCNCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC000004894595 EF Annotated Anodyne COc1ccc(CCNCC(=O)N2[C@H](C)CCC[C@H]2C)cc1OC ZINC000004894601 EF Annotated Anodyne COCCNC(=O)[C@H](OC(=O)c1cccs1)c1ccc(F)cc1 ZINC000004901744 EF Annotated Anodyne COCCNC(=O)[C@@H](OC(=O)c1cccs1)c1ccc(F)cc1 ZINC000004901747 EF Annotated Anodyne COC(CN(C)C(=O)c1cc2c(C)nc3ccccc3c2o1)OC ZINC000004902647 EF Annotated Anodyne COC(=O)c1cc2occc2n1CC(=O)Nc1ccc(N(C)C)cc1 ZINC000004911545 EF Annotated Anodyne C[C@@H](C(=O)NCc1ccccn1)n1cccc1C(=O)c1ccccc1 ZINC000004912788 EF Annotated Anodyne C[C@H](C(=O)NCc1ccccn1)n1cccc1C(=O)c1ccccc1 ZINC000004912794 EF Annotated Anodyne C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc3c(c2)OCCO3)[C@@H]1C ZINC000004926409 EF Annotated Anodyne C[C@H]1CCC[C@H](NC(=O)COC(=O)c2ccc3c(c2)OCCO3)[C@@H]1C ZINC000004926412 EF Annotated Anodyne C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc3c(c2)OCCO3)[C@@H]1C ZINC000004926417 EF Annotated Anodyne C[C@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc3c(c2)OCCO3)[C@@H]1C ZINC000004926423 EF Annotated Anodyne CC(C)OCCCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C ZINC000004930700 EF Annotated Anodyne CN1CCC(N(C)C(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004931734 EF Annotated Anodyne Cc1ccc(CNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)o1 ZINC000004938818 EF Annotated Anodyne COCCNC(=S)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000004966794 EF Annotated Anodyne C[C@H](OC(=O)c1cc2occc2n1C)C(=O)NCc1cccs1 ZINC000004967186 EF Annotated Anodyne C[C@@H](OC(=O)c1cc2occc2n1C)C(=O)NCc1cccs1 ZINC000004967188 EF Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C[C@@](C)(O)c2coc(C)c2[C@H]2OC(=O)[C@@H](C)[C@@H]21 ZINC000045097259 EF Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C[C@@](C)(O)c2coc(C)c2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000045097263 EF Annotated Anodyne in-man C=CCc1cccc(C)c1OCCCON1C(=N)NC(=N)NC1(C)C ZINC000045186706 EF Annotated Mild CC1(C)NC(=N)NC(=N)N1OCCCc1ccc(Cl)cc1Cl ZINC000045187243 EF Annotated Anodyne CC1(C)NC(=N)NC(=N)N1OCCCOc1cccc2ccccc12 ZINC000045190719 EF Annotated Anodyne CC(C)c1ccc(OCCCON2C(=N)NC(=N)NC2(C)C)cc1 ZINC000045194214 EF Annotated Anodyne CC1(C)NC(N)=NC(=N)N1OCCCc1c(Cl)cccc1Cl ZINC000045201994 EF Annotated Anodyne CCCc1cccc(C)c1OCCCON1C(=N)NC(=N)NC1(C)C ZINC000045226529 EF Annotated Anodyne Cc1cc2ccccc2c(CON2C(=N)N=C(N)NC2(C)C)c1C ZINC000045227201 EF Annotated Anodyne NC(N)=NC(=O)Nc1cc(Cl)c(Br)c(Cl)c1 ZINC000045231213 EF Annotated Mild Cc1cc(C)c(C)c(OCCCON2C(=N)NC(=N)NC2(C)C)c1C ZINC000045238500 EF Annotated Anodyne CCOC(=O)c1cc(/C=C/c2ccc(N3CCN(C)CC3)cc2)on1 ZINC000045244883 EF Annotated Clean N=C1ON=C(N)[C@H]1[C@H](CC(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000045245632 EF Annotated Anodyne N=C1ON=C(N)[C@H]1[C@@H](CC(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000045245633 EF Annotated Anodyne Cc1nonc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1 ZINC000045245740 EF Annotated Anodyne Cc1nonc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1 ZINC000045245741 EF Annotated Anodyne COc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3OC)O2)cc1 ZINC000045245947 EF Annotated Anodyne COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3OC)O2)cc1 ZINC000045245948 EF Annotated Anodyne C[C@@H]1c2c[nH]nc2-c2ccccc2N1S(=O)(=O)c1ccccn1 ZINC000045255168 EF Annotated Anodyne C[C@H]1c2c[nH]nc2-c2ccccc2N1S(=O)(=O)c1ccccn1 ZINC000045255170 EF Annotated Anodyne Cc1ncn2c1Cn1cc(CO)nc1-c1cc(Br)ccc1-2 ZINC000045257208 EF Annotated Anodyne Nc1nc2c(s1)CCc1ccc(C(F)(F)P(=O)(O)O)cc1-2 ZINC000045260417 EF Annotated Anodyne COc1ccc(/C(=N\N)c2ccc3c(ccn3C)c2)c(OC)c1OC ZINC000045283851 EF Annotated Mild CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CCCC(C)C)CC1 ZINC000045286485 EF Annotated Anodyne CCCCC[C@H](O)c1cn(C[C@@H]2Cc3cc(C#N)ccc3O2)nn1 ZINC000045286727 EF Annotated Mild CCCCC[C@@H](O)c1cn(C[C@@H]2Cc3cc(C#N)ccc3O2)nn1 ZINC000045286728 EF Annotated Mild CCCCC[C@H](O)c1cn(C[C@H]2Cc3cc(C#N)ccc3O2)nn1 ZINC000045286730 EF Annotated Mild CCCCC[C@@H](O)c1cn(C[C@H]2Cc3cc(C#N)ccc3O2)nn1 ZINC000045286732 EF Annotated Mild COc1ccc(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)c2)c(O)c1 ZINC000045286875 EF Annotated Anodyne COCCCCOc1ccc(Cc2c(O)[nH]c(=S)[nH]c2=O)cc1 ZINC000045287556 EF Annotated Anodyne C[C@@H]1c2c[nH]nc2-n2ccnc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000045288538 EF Annotated Anodyne C[C@H]1c2c[nH]nc2-n2ccnc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000045288541 EF Annotated Anodyne Oc1ccc(-c2ccc(F)cc2)cc1CNCCN1CCOCC1 ZINC000045289160 EF Annotated Clean Nc1n[nH]c2nc(=O)n(-c3ccc(/N=N/c4ccccc4)cc3)nc12 ZINC000045290937 EF Annotated Clean O=S(=O)(/C=C\c1ccc2no[n+]([O-])c2c1)c1ccc(Cl)cc1 ZINC000045290964 EF Annotated Anodyne CCC(CC)Nc1ncc(C(=O)N2CCOCC2)c2c(C)c[nH]c12 ZINC000045291518 EF Annotated Anodyne Cc1nn(CCO)c(C)c1[S@@](=O)c1cc(Cl)cc(Cl)c1 ZINC000045298914 EF Annotated Anodyne Cc1nn(CCO)c(C)c1[S@](=O)c1cc(Cl)cc(Cl)c1 ZINC000045298916 EF Annotated Anodyne CN(C(=O)c1ccc(F)cc1)c1nc(-c2cc(N)ncn2)cs1 ZINC000045299052 EF Annotated Anodyne C[C@@H]1c2c[nH]nc2-c2ccccc2N1S(=O)(=O)c1cccnc1 ZINC000045299388 EF Annotated Anodyne C[C@H]1c2c[nH]nc2-c2ccccc2N1S(=O)(=O)c1cccnc1 ZINC000045299390 EF Annotated Anodyne CON(C)C(=O)c1cc2ccn(Cc3ccc(F)cc3F)c2cn1 ZINC000045299437 EF Annotated Anodyne Cc1ccc(N2C(=O)CS[C@H]2C2=CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000045301078 EF Annotated Bother Cc1ccc(N2C(=O)CS[C@@H]2C2=CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000045301080 EF Annotated Bother Cc1c(Cc2cc(Cl)cc(Cl)c2)c(C(=O)O)nn1CCO ZINC000045302138 EF Annotated Anodyne Clc1ncn2c1Cn1cnnc1-c1cc(Br)ccc1-2 ZINC000045302431 EF Annotated Anodyne O=C1O[C@@H](Cn2sccc2=O)CN1c1ccc(C(F)(F)F)cc1 ZINC000045302546 EF Annotated Anodyne O=C1O[C@H](Cn2sccc2=O)CN1c1ccc(C(F)(F)F)cc1 ZINC000045302547 EF Annotated Anodyne O=S(=O)(/C=C/c1ccc2no[n+]([O-])c2c1)c1ccc(Cl)cc1 ZINC000045303176 EF Annotated Anodyne Cc1cccc2nc(N3CCN(Cc4cnc[nH]4)CC3)c3cccn3c12 ZINC000045319362 EF Annotated Anodyne C[C@@H](CCCC(C)(C)O)Nc1cncc(-c2ccc(C(N)=O)cc2)n1 ZINC000045321694 EF Annotated Anodyne C[C@H](CCCC(C)(C)O)Nc1cncc(-c2ccc(C(N)=O)cc2)n1 ZINC000045321697 EF Annotated Anodyne c1ccn2c(-c3ncnc(NCc4ccc5c(c4)CCO5)n3)cnc2c1 ZINC000045322273 EF Annotated Anodyne CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 ZINC000045334349 EF Annotated Clean COC1=CC2=C3c4ccc(OC)cc4OC[C@@]3(OC)CC2=CC1=O ZINC000045336398 EF Annotated Mild COC1=CC2=C3c4ccc(OC)cc4OC[C@]3(OC)CC2=CC1=O ZINC000045336401 EF Annotated Mild NC(N)=NC(=O)Nc1cc(Cl)c(Cl)c(Br)c1 ZINC000045338115 EF Annotated Mild CC[C@H](C)OC(=O)[C@H](C)N/C=C/C=N/[C@@H](C)C(=O)O[C@H](C)CC ZINC000045338565 EF Annotated Mild CC[C@H](C)OC(=O)[C@H](C)/N=C/C=C/N[C@@H](C)C(=O)O[C@@H](C)CC ZINC000045338567 EF Annotated Mild CC[C@@H](C)OC(=O)[C@H](C)/N=C/C=C/N[C@@H](C)C(=O)O[C@H](C)CC ZINC000045338569 EF Annotated Mild O=C(NCCCC/N=C/c1cc(F)ccc1O)c1ccccc1O ZINC000045347776 EF Annotated Mild C[C@@H](CCc1ccc(O)cc1)N1CCC(CN2CCC(O)CC2)CC1 ZINC000045348748 EF Annotated Anodyne C[C@H](CCc1ccc(O)cc1)N1CCC(CN2CCC(O)CC2)CC1 ZINC000045348751 EF Annotated Anodyne OC1CCN(CC2CCN(C3C4CC5CC(C4)CC3C5)CC2)CC1 ZINC000045351924 EF Annotated Anodyne N#Cc1ccc(Cn2cc(/C=C3\NC(=O)NC3=O)c3ccccc32)cc1 ZINC000045353545 EF Annotated Mild Fc1ccc(F)c(CO[C@H]2CCc3ccc(N4CCNCC4)nc32)c1 ZINC000045353570 EF Annotated Anodyne O=C(/C=C/N1CCC(O)(c2ccccc2)CC1)c1ccc(O)cc1O ZINC000045353825 EF Annotated Mild O=C1C=Cc2cc3c(c(-c4ccc5c(c4)OCO5)c2C1=O)COC3=O ZINC000045357469 EF Annotated Mild O=C1Cc2cnc3cc(-c4ccccc4)nn3c2-c2cnccc2N1 ZINC000045357945 EF Annotated Anodyne O=C1Cc2cnc3cc(-c4ccccc4)nn3c2-c2ncccc2N1 ZINC000045357949 EF Annotated Anodyne NC(=O)c1cccc2c1C(=O)N(c1cccc(CN3CCCC3)c1)C2 ZINC000045364319 EF Annotated Anodyne COc1ccc2c(c1)OC[C@@]1(O)Cc3cc(OC)c(OC)cc3[C@H]21 ZINC000045364831 EF Annotated Anodyne COc1ccc2c(c1)OC[C@@]1(O)Cc3cc(OC)c(OC)cc3[C@@H]21 ZINC000045364834 EF Annotated Anodyne COc1ccc2c(c1)OC[C@]1(O)Cc3cc(OC)c(OC)cc3[C@@H]21 ZINC000045364837 EF Annotated Anodyne CCOC1=CC2=C3c4ccc(OCC)cc4OC[C@@]3(O)CC2=CC1=O ZINC000045368114 EF Annotated Mild CCOC1=CC2=C3c4ccc(OCC)cc4OC[C@]3(O)CC2=CC1=O ZINC000045368117 EF Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@H]1Oc3ccc([N+](=O)[O-])cc3[C@H]1CO2 ZINC000045371921 EF Annotated Mild Cc1ccc(S(=O)(=O)n2c(=O)[nH]c3ccc(Cl)cc32)c(C)c1 ZINC000045373033 EF Annotated Anodyne Cc1ccc(C)c(S(=O)(=O)n2c(=O)[nH]c3ccc(Cl)cc32)c1 ZINC000045373038 EF Annotated Anodyne CSc1nc2c(c(N3CCCC3)n1)[N+]([O-])=C(c1ccccc1)C2=O ZINC000045384923 EF Annotated Anodyne Cc1cc(C)nc(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)c1 ZINC000045392432 EF Annotated Anodyne Cc1ccc(-c2cc(C(=O)NCc3ccc(C)c(C)n3)nc(N)n2)o1 ZINC000045392875 EF Annotated Anodyne C/C(=N\n1c(C)nc2cc3c(cc2c1=O)OCO3)c1cccs1 ZINC000045393474 EF Annotated Mild Cc1ccc(C)c(CNC(=O)c2cc(-c3ccc(C)o3)nc(N)n2)n1 ZINC000045394082 EF Annotated Anodyne C/C1=C/[C@H](O)C/C(C)=C/[C@H](O)C(=O)/C(C)=C/[C@H]2[C@@H](CC1)[C@]2(C)CO ZINC000045484050 EF Annotated Mild COc1cc2c(c3c1c(=O)c1ccccc1n3C)C[C@H]([C@@]1(C)CO1)O2 ZINC000045484689 EF Annotated Bother C=CCN1C[C@H]2N(Cc3ccc(OC)cc3)C[C@@H]1CCC2(OC)OC ZINC000045494994 EF Annotated Mild COc1cc2c(c3c1c(=O)c1ccccc1n3C)C[C@H]([C@]1(C)CO1)O2 ZINC000045495042 EF Annotated Bother N#Cc1cccc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1 ZINC000045495165 EF Annotated Mild N#Cc1cccc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1 ZINC000045495168 EF Annotated Mild NCC[N+]12CCC(C(O)(c3ccccc3)c3ccccc3)(CC1)CC2 ZINC000045495804 EF Annotated Bother COc1ccc(/C=C2\CCC[C@H](CN3CCOCC3)C2=O)cc1OC ZINC000045495917 EF Annotated Mild COc1ccc(/C=C2\CCC[C@@H](CN3CCOCC3)C2=O)cc1OC ZINC000045495919 EF Annotated Mild CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000045497333 EF Annotated Anodyne Cc1cnc(NC(=O)c2cc(Sc3nncn3C)ccc2N)s1 ZINC000045506232 EF Annotated Anodyne Cc1ccc2nc(Cl)c(/C=N/NC(=O)c3cnccn3)cc2c1 ZINC000047219493 EF Annotated Reactive CCOC(=O)c1c(-c2ccccc2)n(O)c2ccc(OC)cc2[n+]1=O ZINC000471072601 EF Annotated Anodyne CC(C)NC(=O)c1ccc(Cl)cc1C(=O)NN=Cc1ccco1 ZINC000472791603 EF Annotated Reactive CNCc1ccc(-c2[nH]c3cc(F)cc4c(O)n[nH]c(=O)c2c34)cc1 ZINC000473082310 EF Annotated Anodyne CCOc1cccc(-n2cc(-c3cccc(-c4nn[nH]n4)c3)nn2)c1 ZINC000473083145 EF Annotated Anodyne COc1ccccc1N1CCn2c1nnc(-c1cccs1)c2=O ZINC000473083251 EF Annotated Anodyne Cc1ccc2c(c1)[C@@]1(Cn3nncc3CO1)C(=O)N2Cc1ccccc1 ZINC000473084127 EF Annotated Anodyne Cc1ccc2c(c1)[C@]1(Cn3nncc3CO1)C(=O)N2Cc1ccccc1 ZINC000473084138 EF Annotated Anodyne CC1=C2C(=O)N(Cc3ccc(F)c(Cl)c3)C(=O)C2=C(O)C(=O)[C@@H]1C ZINC000473085718 EF Annotated Mild CC1=C2C(=O)N(Cc3ccc(F)c(Cl)c3)C(=O)C2=C(O)C(=O)[C@H]1C ZINC000473085728 EF Annotated Mild CC1(C)[C@H]2CC(=O)C3=C[C@](O)(C(C)(C)O)CC[C@H]3[C@]2(C)CC[C@H]1O ZINC000473085978 EF Annotated Mild COc1cc(-c2cc(-c3c(O)cccc3O)n[nH]2)cc(OC)c1O ZINC000473086334 EF Annotated Anodyne C[C@@]1(c2cccc3ccccc23)NC(=O)N(CCCCCN)C1=O ZINC000473086985 EF Annotated Anodyne C[C@]1(c2cccc3ccccc23)NC(=O)N(CCCCCN)C1=O ZINC000473086986 EF Annotated Anodyne CC(C)C(=O)CC[C@@H]1C(C=O)=C[C@@H](O)[C@@H]2C(C)(C)[C@H](O)CC[C@@]12C ZINC000473087976 EF Annotated Reactive COC1=C(C(C)C)C(=O)C=C(CN(C)C(=O)C2CCCCC2)C1=O ZINC000473089015 EF Annotated Mild COC1=C(C(C)C)C(=O)C=C(CN2C(=O)CCc3ccccc32)C1=O ZINC000473089630 EF Annotated Mild O=C1c2ccccc2S(=O)(=O)[C@@H]2c3[nH]c4ccccc4c3CCN12 ZINC000473093203 EF Annotated Anodyne O=C1c2ccccc2S(=O)(=O)[C@H]2c3[nH]c4ccccc4c3CCN12 ZINC000473093220 EF Annotated Anodyne C=C([C@@H]1C[C@@H]2[C@@]3(C)[C@@H](O)CCC(C)(C)[C@]3(O)CC[C@@]2(C)O1)[C@@H](C)O ZINC000473094904 EF Annotated Mild C=C([C@H](C)O)[C@@H]1C[C@@H]2[C@@]3(C)[C@@H](O)CCC(C)(C)[C@]3(O)CC[C@@]2(C)O1 ZINC000473094907 EF Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)O[C@H]([C@]3(CO)O[C@@H]3CO)C[C@H]21 ZINC000473095121 EF Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)O[C@H]([C@@]3(CO)O[C@H]3CO)C[C@H]21 ZINC000473095128 EF Annotated Anodyne C=CC(=O)Nc1cccc(Oc2nccc(=Nc3cc(C)[nH]n3)[nH]2)c1 ZINC000473099429 EF Annotated Anodyne CCCCN1C(=O)/C(=C/NC(C)(C)CO)C(=O)c2cccc(C)c21 ZINC000473107096 EF Annotated Mild CCOC[C@H](C(=O)c1ccc(Cl)cc1)n1cnc2ncnc(N)c21 ZINC000473107785 EF Annotated Anodyne CCOC[C@@H](C(=O)c1ccc(Cl)cc1)n1cnc2ncnc(N)c21 ZINC000473107786 EF Annotated Anodyne CCC(=O)Nc1cccc(Oc2nccc(=Nc3cc(C)[nH]n3)[nH]2)c1 ZINC000473109197 EF Annotated Anodyne CN1CCN(Cc2cc(CNCc3ccccc3F)ccc2O)CC1 ZINC000473110442 EF Annotated Clean C#CN(C)Cc1ccc(C(=O)NC2CC(C)(C)N([O])C(C)(C)C2)cc1 ZINC000473110533 EF Annotated Mild Cc1cc(-c2ccccc2)n2[nH]c(=NC(=O)c3ccccc3)nc2n1 ZINC000473111849 EF Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](CSc4ncc[nH]4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000473111858 EF Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@H](c1cccs1)[C@@H]([N+](=O)[O-])CO2 ZINC000473112097 EF Annotated Mild COc1cccc(Oc2cccc(Cl)c2CN=c2[nH][nH]c(=N)[nH]2)c1 ZINC000473113523 EF Annotated Anodyne COc1nc(N2CCCCC2)nc(OC)c1NC(=O)CC(C)(C)C ZINC000473114684 EF Annotated Anodyne CC1(C)OC2=C(C(=O)/C(=N\Nc3ccccc3)c3ccccc32)[C@@H]1O ZINC000473114955 EF Annotated Mild CC1(C)OC2=C(C(=O)/C(=N\Nc3ccccc3)c3ccccc32)[C@H]1O ZINC000473114956 EF Annotated Mild C=C1[C@@H](O)[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=CCOC1=O ZINC000473119825 EF Annotated Mild C[C@]12CC[C@H](O)c3coc(c31)C(=O)C1=C2C[C@@H](O)[C@]2(C)C(=O)CC[C@@H]12 ZINC000473121172 EF Annotated Mild O=C(NO)C1CCC2(CC1)OCC1(OO2)C2CC3CC(C2)CC1C3 ZINC000473121447 EF Annotated Reactive CCN(CC)C(=O)c1c2c(n3ccccc13)C(=O)c1ncccc1C2=O ZINC000473121675 EF Annotated Clean O=c1c2ccc(F)cc2ncn1CCCCCn1cnc([N+](=O)[O-])c1 ZINC000473122207 EF Annotated Bother COc1cc(OC)c2c(c1)OC[C@@H](Cc1ccc(OC)c(O)c1)C2=O ZINC000473122660 EF Annotated Anodyne COc1cc(OC)c2c(c1)OC[C@H](Cc1ccc(OC)c(O)c1)C2=O ZINC000473122669 EF Annotated Anodyne COc1ccc(N(Cc2nn[nH]n2)Cc2ccc(F)cc2F)cc1 ZINC000473124574 EF Annotated Clean CCCCc1nc(Cl)c(C(=O)N[C@@H](CC(C)C)C(=O)OC)n1C ZINC000473126766 EF Annotated Anodyne COC(=O)OCCCCC[C@@H]1Cc2c(C)c(O)cc(O)c2C(=O)O1 ZINC000473127553 EF Annotated Anodyne CCCCc1nc(Cl)c(C(=O)N[C@H](C(=O)OC)[C@H](C)CC)n1C ZINC000473129030 EF Annotated Anodyne CC(C)C1=CC2=C(C(=O)C1=O)[C@]13CO[C@H]2C[C@H]1C(C)(C)C[C@H](O)C3 ZINC000473129085 EF Annotated Mild CCCCc1nc(Cl)c(C(=O)N[C@H](C(=O)O)[C@H](C)CC)n1C ZINC000473129458 EF Annotated Anodyne COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3cccnc3)o2)c1 ZINC000473131333 EF Annotated Reactive O=[N+]([O-])c1cccc(/C=N/n2c(S)nnc2-c2ccc(O)cc2)c1 ZINC000473132683 EF Annotated Mild N=c1ccnc(CN2CCC(c3n[nH]cc3Cc3ccccc3)CC2)[nH]1 ZINC000473132725 EF Annotated Anodyne N=c1ncc(N2CCC(c3n[nH]cc3Cc3ccccc3)CC2)c[nH]1 ZINC000473132741 EF Annotated Anodyne N=c1cc(CN2CCC(c3n[nH]cc3Cc3ccccc3)CC2)nc[nH]1 ZINC000473132771 EF Annotated Anodyne Oc1ccc(/C=N/n2c(O)nnc2Cc2ccc(Cl)cc2)cc1O ZINC000473133077 EF Annotated Mild O=[N+]([O-])c1ccccc1/C=N/n1c(S)nnc1-c1ccc(O)cc1 ZINC000473133191 EF Annotated Mild COc1cc(N2CCc3nc(NC(C)=O)sc3C2)cnc1Cl ZINC000473133677 EF Annotated Anodyne CN=c1cc(C(=O)N2CCC[C@H](c3[nH]c4ccccc4c3C)C2)cn[nH]1 ZINC000473133999 EF Annotated Anodyne CN=c1cc(C(=O)N2CCC[C@@H](c3[nH]c4ccccc4c3C)C2)cn[nH]1 ZINC000473134000 EF Annotated Anodyne C#CCCCCOC(=O)/C=C/c1ccc(OC(C)=O)c(OC(C)=O)c1 ZINC000473134006 EF Annotated Mild Cc1c(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)cnn1C ZINC000473135020 EF Annotated Anodyne COCCN=c1nc(-c2ccc(C)s2)c(-c2cc(C)no2)c[nH]1 ZINC000473135692 EF Annotated Anodyne C[C@@H](Oc1cc(-c2cnn(C)c2)cc2nscc12)[C@H]1CNC(=O)C1 ZINC000473135776 EF Annotated Anodyne CC(=O)N1CCC(c2nc(NC(C)C)ncc2-c2cc(C)no2)CC1 ZINC000473135937 EF Annotated Anodyne C[C@@H](Oc1cc(-c2cnn(C)c2)cc2ncsc12)[C@H]1CNC(=O)C1 ZINC000473136005 EF Annotated Anodyne O=C1C2=C(C(=O)c3ccccc31)[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])CO2 ZINC000473136013 EF Annotated Mild Clc1ccc(-c2csc(-n3cc(-c4nn[nH]n4)cn3)n2)cc1 ZINC000473136353 EF Annotated Anodyne Clc1cccc(-c2csc(-n3cc(-c4nn[nH]n4)cn3)n2)c1 ZINC000473136703 EF Annotated Anodyne Clc1ccccc1-c1csc(-n2cc(-c3nn[nH]n3)cn2)n1 ZINC000473137642 EF Annotated Anodyne Oc1ccc(C2=Cc3cc(CN4CCOCC4)c(O)cc3OC2)cc1 ZINC000473145723 EF Annotated Clean CCOC(=O)[C@H]1[C@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000473149125 EF Annotated Anodyne CCOC(=O)[C@H]1[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000473149126 EF Annotated Anodyne CC(C)(C)c1nc(CCCCCC#N)c2c(N)c(C#N)c(=N)nc-2[nH]1 ZINC000473154285 EF Annotated Mild N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(C#N)cc1 ZINC000473154369 EF Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(C#N)cc1 ZINC000473154370 EF Annotated Reactive CCOC(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000473154441 EF Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000473154442 EF Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@H](C(=O)Nc1ccc(F)cc1)C2 ZINC000473154652 EF Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@H](C(=O)Nc1ccc(F)cc1)C2 ZINC000473154653 EF Annotated Anodyne Cc1cnc(N)c(-c2nc(=Nc3c(Cl)cccc3Cl)[nH]o2)n1 ZINC000473154724 EF Annotated Anodyne CCO/N=C/c1cc(OC)c2c(c1)C(=O)c1cccc(OC)c1C2=O ZINC000473154816 EF Annotated Mild COc1cc2c(cc1OC)C(=O)[C@@H](C(=O)Nc1cccc(F)c1)C2 ZINC000473155032 EF Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@H](C(=O)Nc1cccc(F)c1)C2 ZINC000473155033 EF Annotated Anodyne Cc1cc(=NCc2nc(Cl)cnc2N)[nH]c2ccc([N+](=O)[O-])cc12 ZINC000473157270 EF Annotated Bother O=C(O)CCn1c(=O)oc2cc(OCC3CCC3)c(Cl)cc21 ZINC000473158231 EF Annotated Anodyne O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@@H](OCCO)C2 ZINC000473160669 EF Annotated Bother O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@H](OCCO)C2 ZINC000473160672 EF Annotated Bother CCOC(=O)[C@]1(C)[C@H](C)NC(=S)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000473160731 EF Annotated Anodyne CCOC(=O)[C@@]1(C)[C@H](c2ccc(OC)cc2)N(C)C(=S)N[C@@H]1C ZINC000473160732 EF Annotated Anodyne CCOC(=O)[C@]1(C)[C@@H](C)NC(=S)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000473160733 EF Annotated Anodyne CCOC(=O)[C@]1(C)[C@H](C)NC(=S)N(C)[C@H]1c1ccc(OC)cc1 ZINC000473160736 EF Annotated Anodyne Cc1cc(NCc2ncnn2C)n2nc(C)c(-c3ccccc3)c2n1 ZINC000473166240 EF Annotated Anodyne COc1cccn2c(C(=O)N3CCCCC3)c(C(F)(F)F)nc12 ZINC000473168078 EF Annotated Anodyne Cc1cc(NCc2cccc[n+]2[O-])n2ncc(-c3ccccc3)c2n1 ZINC000473169982 EF Annotated Anodyne N=C(N)NC(=O)N1CCc2cccc(-c3cc(F)c(F)cc3F)c2C1 ZINC000473170834 EF Annotated Anodyne CC(C)C[C@@H]1C(=O)N([C@@H](C(=O)O)C(C)C)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473197614 EF Annotated Anodyne CC(C)C[C@@H]1C(=O)N([C@@H](C(=O)O)C(C)C)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473197615 EF Annotated Anodyne CC(C)C[C@@H]1C(=O)N([C@H](C(=O)O)C(C)C)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473197617 EF Annotated Anodyne CC(C)C[C@@H]1C(=O)N([C@H](C(=O)O)C(C)C)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473197618 EF Annotated Anodyne COc1ccc2c(c1)[C@H](C(C#N)C#N)c1c(cc(N)c(C#N)c1N)O2 ZINC000473243882 EF Annotated Mild COc1ccc2c(c1)[C@@H](C(C#N)C#N)c1c(cc(N)c(C#N)c1N)O2 ZINC000473243883 EF Annotated Mild COc1ccc2c(c1)Oc1cc(N)c(C#N)c(N)c1[C@H]2C(C#N)C#N ZINC000473244576 EF Annotated Mild COc1ccc2c(c1)Oc1cc(N)c(C#N)c(N)c1[C@@H]2C(C#N)C#N ZINC000473244578 EF Annotated Mild N#Cc1c(N)cc2c(c1N)Cc1ccc(OCN3CCCC3)cc1O2 ZINC000473245219 EF Annotated Mild CCCS(=O)(=O)Nc1ccc(C)c(NC(=O)c2cnoc2C)c1 ZINC000473247705 EF Annotated Anodyne C#CC(=O)N1[C@H](C[C@H](C)CC(C)(C)C)SC[C@@H]1C(=O)OCC ZINC000473249380 EF Annotated Mild C#CC(=O)N1[C@@H](C(=O)OCC)CS[C@@H]1C[C@H](C)CC(C)(C)C ZINC000473249381 EF Annotated Mild C#CC(=O)N1[C@H](C[C@@H](C)CC(C)(C)C)SC[C@@H]1C(=O)OCC ZINC000473249382 EF Annotated Mild C#CC(=O)N1[C@@H](C(=O)OCC)CS[C@@H]1C[C@@H](C)CC(C)(C)C ZINC000473249383 EF Annotated Mild CCCc1cc(=O)n2[nH]c(=NCc3ccc(Cl)cc3)c(C#N)c2[nH]1 ZINC000473249395 EF Annotated Mild CCCS(=O)(=O)Nc1ccc(NC(=O)c2cnoc2C)c(C)c1 ZINC000473249632 EF Annotated Anodyne C=CC(=O)Nc1ccccc1N=c1[nH]c(Nc2ccnn2C)ncc1C ZINC000474607834 EF Annotated Anodyne CC(C)Cc1cn(C2CCN([C@@H](C)CCn3cccn3)CC2)nn1 ZINC000048066922 EF Annotated Anodyne CC(C)Cc1cn(C2CCN([C@H](C)CCn3cccn3)CC2)nn1 ZINC000048066924 EF Annotated Anodyne Cc1nn(C)c(C)c1-c1ccnc(N2CCCN(CC(C)C)CC2)n1 ZINC000048112461 EF Annotated Anodyne Cc1nn(C)c(C)c1-c1ccnc(N(C)Cc2noc(C(C)C)n2)n1 ZINC000048436092 EF Annotated Anodyne COc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc(OC)c1O ZINC000048877560 EF Annotated Anodyne C[C@H]1CCCCN1c1nc(N2CCCOCC2)c2cccnc2n1 ZINC000049000177 EF Annotated Anodyne Cc1cc(Br)cc2c1C(=O)N1CCC[C@H]1c1cnnn1-2 ZINC000049013783 EF Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]1(O)CCC1=CC(=O)OC1 ZINC000049015715 EF Annotated Anodyne Clc1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2 ZINC000049019820 EF Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@]1(COC(=O)C1)O2 ZINC000049021943 EF Annotated Anodyne N/C(=N/C(=O)/C=C/c1ccccc1)N/N=C/c1ccccc1Cl ZINC000049032978 EF Annotated Mild Cn1c(NCc2ccccc2Cl)nc2cc(C(N)=O)cc(N)c21 ZINC000049033064 EF Annotated Anodyne C[C@H]1CC[C@@H](OCCO)C(C)(C)[C@@]12Cc1cc(C(=O)O)ccc1O2 ZINC000049033665 EF Annotated Anodyne N=C(N)Nc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 ZINC000049035747 EF Annotated Anodyne CN(CCOCCNC(=S)Nc1ccccn1)Cc1ccccc1 ZINC000049036878 EF Annotated Anodyne CNCCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O ZINC000049036933 EF Annotated Anodyne CNCCCN1Cc2ccccc2N(c2cccc(C)c2)S1(=O)=O ZINC000049037322 EF Annotated Anodyne CCOC(=O)c1cc(-c2sc(-c3cccnc3)nc2COC)n[nH]1 ZINC000049048382 EF Annotated Anodyne Cc1cc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccccc2-3)on1 ZINC000049051262 EF Annotated Anodyne CCOP(=O)(OCC)[C@H](O)c1cc2ccccc2n2nnnc12 ZINC000049051536 EF Annotated Anodyne CCOP(=O)(OCC)[C@@H](O)c1cc2ccccc2n2nnnc12 ZINC000049051540 EF Annotated Anodyne COc1ccncc1C1=NN=C(O)/C1=N\Nc1ccc(Cl)cc1 ZINC000049051564 EF Annotated Mild COc1cccc(C2=NNC(=O)/C2=N\Nc2ccc(Cl)cc2)c1 ZINC000049054044 EF Annotated Mild Cc1ccc(C(=O)NC[C@@H](C)/N=C/c2cc(F)ccc2O)c(O)c1 ZINC000049068405 EF Annotated Mild Cc1ccc(C(=O)NC[C@H](C)/N=C/c2cc(F)ccc2O)c(O)c1 ZINC000049068407 EF Annotated Mild CN1CCC[C@H](Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1 ZINC000049068907 EF Annotated Anodyne CN1CCC[C@@H](Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1 ZINC000049068909 EF Annotated Anodyne COCc1nn(CC2CC2)c(=O)c2nn(-c3ccccc3Cl)cc12 ZINC000049070160 EF Annotated Anodyne CCn1nc(COC)c2c(C)n(-c3ccccc3Cl)nc2c1=O ZINC000049070744 EF Annotated Anodyne C=C(C)[C@H]1CCC2=C[C@@H](C[C@@]3(C)CC(=O)[C@H](CC(=O)C1)O3)OC2=O ZINC000049071301 EF Annotated Mild CSc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCC3 ZINC000049073334 EF Annotated Anodyne COc1ccc(C[C@@H]2COc3c(OC)c(O)c(C)c(O)c3C2=O)cc1 ZINC000049088058 EF Annotated Anodyne COc1cccc(-c2ncnn2-c2cc(OC)c(OC)c(OC)c2)c1 ZINC000049088261 EF Annotated Anodyne OC1([C@H](CN2CCNCC2)c2cnc3ccccc3c2)CCCCC1 ZINC000049088444 EF Annotated Anodyne OC1([C@@H](CN2CCNCC2)c2cnc3ccccc3c2)CCCCC1 ZINC000049088445 EF Annotated Anodyne O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1c1ccccn1 ZINC000049088850 EF Annotated Anodyne Cc1cc(-c2csc3nc4[nH]nc(N)c4c(=O)n23)c(O)cc1Cl ZINC000049089059 EF Annotated Anodyne Cc1nc2n(n1)Cc1c(C)ncn1-c1ccc(Br)cc1-2 ZINC000049089276 EF Annotated Anodyne S=c1oc(Cc2cccc3ccccc23)nn1CN1CCNCC1 ZINC000049089509 EF Annotated Anodyne COc1ccc(C2=NNC(=O)/C2=N\Nc2ccc(Cl)cc2)cc1 ZINC000049089685 EF Annotated Mild COc1cccc(C2=NNC(=O)/C2=N\Nc2cccc(Cl)c2)c1 ZINC000049089749 EF Annotated Mild OC1([C@H](CN2CCNCC2)c2c[nH]c3ccccc23)CCCCC1 ZINC000049089814 EF Annotated Anodyne OC1([C@@H](CN2CCNCC2)c2c[nH]c3ccccc23)CCCCC1 ZINC000049089815 EF Annotated Anodyne C=C(C)[C@H]1CC=C(C)[C@]2(O)[C@@H](C(=O)OC)O[C@@H](c3ccccn3)[C@H]12 ZINC000049089874 EF Annotated Mild Cc1cc2c(cc1C)[n+](=O)c(C(=O)NCc1ccccc1)c(C)n2O ZINC000049110988 EF Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2CCC[C@@H]1c1cncnc1C2 ZINC000049111648 EF Annotated Anodyne COc1ccc(C[C@@H]2COc3c(C)c(O)c(C)c(O)c3C2=O)c(O)c1 ZINC000049112085 EF Annotated Anodyne COc1ccc(C[C@H]2COc3c(C)c(O)c(C)c(O)c3C2=O)c(O)c1 ZINC000049112086 EF Annotated Anodyne in-vitro biogenic CN1CC[C@]2(CCCC2=O)[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000049112524 EF Annotated Anodyne CN1CC[C@@]2(CCCC2=O)[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000049112525 EF Annotated Anodyne CCN1CC[C@H](Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1 ZINC000049112648 EF Annotated Anodyne CCN1CC[C@@H](Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1 ZINC000049112649 EF Annotated Anodyne Oc1ccc2c(c1)C1(Oc3cccc4cccc(c34)O1)[C@@H]1O[C@@H]1[C@@H]2O ZINC000049113665 EF Annotated Anodyne COc1ccccc1-c1ncnn1-c1cc(OC)c(OC)c(OC)c1 ZINC000049113786 EF Annotated Anodyne COc1ccc(C[C@@H]2COc3c(C)c(O)c(C)c(O)c3C2=O)cc1O ZINC000049114094 EF Annotated Anodyne in-vitro biogenic COc1ccc(C[C@H]2COc3c(C)c(O)c(C)c(O)c3C2=O)cc1O ZINC000049114097 EF Annotated Anodyne in-vitro biogenic C=C1CC[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1C[C@](C)(O)[C@@H](O)CC[C@@](C)(O)[C@@H]2O1 ZINC000049116084 EF Annotated Mild CCn1c([C@H](F)c2cc(C)cc(C#N)c2)c(C(C)C)c(=O)[nH]c1=O ZINC000049426935 EF Annotated Mild CCn1c([C@@H](F)c2cc(C)cc(C#N)c2)c(C(C)C)c(=O)[nH]c1=O ZINC000049426938 EF Annotated Mild COc1ccc(C2=NNC(=O)/C2=N\Nc2cccc(Cl)c2)cc1 ZINC000049525577 EF Annotated Mild Cc1ccc(N(C)S(=O)(=O)c2c(C)noc2/C=C/N(C)C)cc1 ZINC000049539893 EF Annotated Anodyne COc1ccc(CN(C)c2ncnc(-c3ccco3)c2NC=O)cc1 ZINC000049583095 EF Annotated Anodyne N#C/C=C1/c2ccccc2N=C(N2CCO[C@H](CO)C2)c2ccccc21 ZINC000049627525 EF Annotated Reactive N#C/C=C1/c2ccccc2N=C(N2CCO[C@@H](CO)C2)c2ccccc21 ZINC000049627527 EF Annotated Reactive O=C(CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)NO ZINC000049722545 EF Annotated Reactive NC(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049746580 EF Annotated Reactive Cc1c(N2CC=CCC2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000049756219 EF Annotated Anodyne N[C@]1(C(=O)O)C[C@H]2C[C@@H]1c1cc(N(CCCl)CCCl)ccc12 ZINC000049777346 EF Annotated Reactive N[C@]1(C(=O)O)C[C@@H]2C[C@H]1c1cc(N(CCCl)CCCl)ccc12 ZINC000049777347 EF Annotated Reactive O=C1N=C(N2CCOCC2)CN1Cc1c(Cl)cccc1Cl ZINC000049780151 EF Annotated Anodyne O=Cc1ccc(OP(=O)(NCCCl)NCCCl)cc1 ZINC000049780853 EF Annotated Reactive COc1cc(-c2ncnn2-c2ccc(N)cc2)cc(OC)c1OC ZINC000049784258 EF Annotated Clean NC(=O)c1c(F)ccc(OCc2nc3cc(N)ccc3s2)c1F ZINC000049784445 EF Annotated Anodyne CCNC(=O)C1=C(C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@@]23[C@H](O1)O4 ZINC000049784841 EF Annotated Reactive O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCOCC1 ZINC000049784867 EF Annotated Anodyne O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1(O)CCCC1 ZINC000049784868 EF Annotated Anodyne COc1ccc(O)c2c1C(=O)C=C([C@H](CC=C(C)C)OC(C)=O)C2=O ZINC000049784986 EF Annotated Mild O=C1CCC(c2ccc(-c3ccccc3)cc2)=NN1CN1CCOCC1 ZINC000049802951 EF Annotated Anodyne CC(C)Cc1ccc(C2=NN(CN3CCOCC3)C(=O)CC2)cc1 ZINC000049803446 EF Annotated Anodyne O=C(O)/C=C/c1cn(-c2ccc(O)cc2)nc1-c1cc(O)ccc1O ZINC000049803865 EF Annotated Anodyne O=C1CCC(c2ccc(-c3ccccc3)cc2)=NN1CN1CCNCC1 ZINC000049807664 EF Annotated Anodyne O=C1CCC(c2ccc(-c3ccccc3)cc2)=NN1Cn1cncn1 ZINC000049807728 EF Annotated Anodyne COc1ccc(COc2ncnc(-c3ccco3)c2NC=O)cc1 ZINC000049808579 EF Annotated Anodyne CCOC(=O)CCCn1ccc(=O)c2c1ncn2Cc1ccccc1 ZINC000049808651 EF Annotated Anodyne CCCCCCCCS(=O)(=O)Nc1ccccc1P(=O)(O)O ZINC000049878082 EF Annotated Mild COc1ccc(NC(=O)[C@H]2CS[C@H]3c4ccccc4C(=O)N23)cc1 ZINC000000501270 EF Annotated Anodyne COc1ccc(NC(=O)[C@@H]2CS[C@H]3c4ccccc4C(=O)N32)cc1 ZINC000000501271 EF Annotated Anodyne COc1ccc(NC(=O)[C@H]2CS[C@@H]3c4ccccc4C(=O)N23)cc1 ZINC000000501272 EF Annotated Anodyne COc1ccc(NC(=O)[C@@H]2CS[C@@H]3c4ccccc4C(=O)N23)cc1 ZINC000000501273 EF Annotated Anodyne COC(=O)[C@@H]1C[C@]23CCCN4CC[C@]5(c6ccccc6N[C@@]15CC2)[C@H]43 ZINC000000519255 EF Annotated Anodyne CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C/c1ccccn1)CO2 ZINC000000524287 EF Annotated Reactive CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C/c1ccccn1)CO2 ZINC000000524291 EF Annotated Reactive C/C=C(\C)C(=O)O[C@@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@@H]21 ZINC000000525675 EF Annotated Mild C/C=C(/C)C(=O)O[C@@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@@H]21 ZINC000000525676 EF Annotated Mild CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C/c1ccc[nH]1)CO2 ZINC000000550345 EF Annotated Reactive CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C/c1ccc[nH]1)CO2 ZINC000000550347 EF Annotated Reactive CCOC(=O)C1=C[C@H]2c3ccc(Br)cc3C=C[C@@H]2OC1=O ZINC000000575942 EF Annotated Anodyne CCOC(=O)C1=C[C@@H]2c3ccc(Br)cc3C=C[C@H]2OC1=O ZINC000000575943 EF Annotated Anodyne CCOC(=O)C1=C[C@@H]2c3ccc(Br)cc3C=C[C@@H]2OC1=O ZINC000000575944 EF Annotated Anodyne CCOC(=O)c1cc(C)sc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000000611090 EF Annotated Anodyne CCOc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c(N)n2)cc1 ZINC000000612499 EF Annotated Anodyne COc1ccccc1CNC(=O)c1cnn2c(C(F)F)cc(C)nc12 ZINC000000616537 EF Annotated Anodyne COC(=O)Cc1nc(N2CCCC2)c2c3c(sc2n1)CCCC3 ZINC000000753825 EF Annotated Anodyne C[C@@]1(C(=O)NCCc2ccccc2F)CON=C1c1ccccc1 ZINC000000767831 EF Annotated Anodyne C[C@]1(C(=O)NCCc2ccccc2F)CON=C1c1ccccc1 ZINC000000767832 EF Annotated Anodyne C[C@]1(C(=O)N[C@H]2CCCC[C@@H]2O)CON=C1c1ccc(Cl)cc1 ZINC000000768639 EF Annotated Anodyne C[C@@]1(C(=O)NCc2ccccc2N)CON=C1c1ccc(Cl)cc1 ZINC000000769237 EF Annotated Anodyne C[C@]1(C(=O)NCc2ccccc2N)CON=C1c1ccc(Cl)cc1 ZINC000000769238 EF Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 ZINC000000770027 EF Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1 ZINC000000770029 EF Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1 ZINC000000770234 EF Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccsc1 ZINC000000770236 EF Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 ZINC000000770294 EF Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1 ZINC000000770296 EF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N(C)C ZINC000000771783 EF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)N(C)C ZINC000000771785 EF Annotated Anodyne C[C@]1(C(=O)N[C@H]2CCCC[C@@H]2O)CON=C1c1cccc(Cl)c1 ZINC000000772116 EF Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@]1(C)CON=C1c1cccc(Cl)c1 ZINC000000772230 EF Annotated Anodyne C[C@@]1(C(=O)NCc2ccccc2N)CON=C1c1cccc(Cl)c1 ZINC000000772708 EF Annotated Anodyne C[C@]1(C(=O)NCc2ccccc2N)CON=C1c1cccc(Cl)c1 ZINC000000772709 EF Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1C ZINC000000774132 EF Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1C ZINC000000774133 EF Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1C ZINC000000774134 EF Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1C ZINC000000774135 EF Annotated Anodyne O[C@H]1Cc2cc3c(cc2-c2ncc4c5c(ccc4c21)OCO5)OCO3 ZINC000000898705 EF Annotated Anodyne C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H](O)[C@@H]3O ZINC000000968005 EF Annotated Mild in-man COC(=O)[C@H](C)Oc1ccc(Cl)c(CN2OCC(C)(C)C2=O)c1 ZINC000000988197 EF Annotated Anodyne COC(=O)[C@@H](C)Oc1ccc(Cl)c(CN2OCC(C)(C)C2=O)c1 ZINC000000988198 EF Annotated Anodyne Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCC3)o2)cc1 ZINC000005042454 EF Annotated Anodyne aggregator COc1ccccc1CC(=N)NOC(=O)COc1ccc(C)cc1C ZINC000005048199 EF Annotated Mild C/C=C(\C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000005063009 EF Annotated Mild Cc1cccc(N(C)C(=O)COc2cc(=O)n(C)c3ccccc23)c1 ZINC000005066549 EF Annotated Anodyne Cc1ccc(CCNC(=O)C[C@H]2Oc3ccc(C)cc3NC2=O)cc1 ZINC000005069789 EF Annotated Anodyne aggregator Cc1ccc(CCNC(=O)C[C@@H]2Oc3ccc(C)cc3NC2=O)cc1 ZINC000005069790 EF Annotated Anodyne aggregator COC(=O)c1cc2sc(Cl)cc2n1CC(=O)N1CCCC1 ZINC000005084831 EF Annotated Anodyne Cc1nc2sc(C(=O)Nc3ccc4c(c3)OCO4)c(C)c2c(=O)[nH]1 ZINC000005093564 EF Annotated Anodyne O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NC1CCCC1 ZINC000005095559 EF Annotated Anodyne CC[C@@H](C)NC(=O)[C@@H](CC)n1nc(C)n2c(cc3sccc32)c1=O ZINC000005108394 EF Annotated Anodyne CC[C@H](C)NC(=O)[C@@H](CC)n1nc(C)n2c(cc3sccc32)c1=O ZINC000005108395 EF Annotated Anodyne CC[C@@H](C(=O)N[C@H](C)CC)n1nc(C)n2c(cc3sccc32)c1=O ZINC000005108397 EF Annotated Anodyne CC[C@H](C)NC(=O)[C@H](CC)n1nc(C)n2c(cc3sccc32)c1=O ZINC000005108399 EF Annotated Anodyne C/C(=N\NC(=O)c1cc(C)oc1C)c1ccc(N2CCOCC2)cc1 ZINC000005119626 EF Annotated Reactive C/C(=N\NC(=S)NCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000005119861 EF Annotated Mild O=C(c1cccnc1)N1N=C(C(F)(F)F)[C@H]2CCCCC[C@]21O ZINC000005126825 EF Annotated Anodyne O=C(c1cccnc1)N1N=C(C(F)(F)F)[C@H]2CCCCC[C@@]21O ZINC000005126828 EF Annotated Anodyne O=C(c1cccnc1)N1N=C(C(F)(F)F)[C@@H]2CCCCC[C@]21O ZINC000005126830 EF Annotated Anodyne O=C(c1cccnc1)N1N=C(C(F)(F)F)[C@@H]2CCCCC[C@@]21O ZINC000005126832 EF Annotated Anodyne C/C=C(/C=O)[C@@H]1C[C@H]2c3c(c4cc(O)ccc4n3[C@@H](O)C1)CCN2C ZINC000005132610 EF Annotated Reactive CN(CCCNC(=O)Cn1cc2c(n1)CCCC2)C1CCCCC1 ZINC000005147679 EF Annotated Anodyne C[C@H]1CCC[C@@H](C)N1CCCNC(=O)Cn1cc2c(n1)CCCC2 ZINC000005147684 EF Annotated Anodyne C[C@H]1CCC[C@H](C)N1CCCNC(=O)Cn1cc2c(n1)CCCC2 ZINC000005147694 EF Annotated Anodyne C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)Cn1cc2c(n1)CCCC2 ZINC000005147697 EF Annotated Anodyne O=C(c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)N1CCCC1 ZINC000005150486 EF Annotated Anodyne CC#C[C@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000005158109 EF Annotated Mild in-vitro C/C=C1/CN[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@H]2C(=O)OC ZINC000005218022 EF Annotated Anodyne CCCNC(=O)c1ccc2c(=O)n(Cc3ccco3)c(=S)[nH]c2c1 ZINC000005264623 EF Annotated Anodyne CSc1c(Cl)nc(NC(C)(C)C)nc1N1CCN(C)CC1 ZINC000005353372 EF Annotated Anodyne COc1cc2nc3occc3c(OC)c2cc1OC[C@@H](O)C(C)(C)O ZINC000005357382 EF Annotated Anodyne COc1ccc(/C=N/N2C(=O)CSC2=S)cc1Br ZINC000005360913 EF Annotated Mild C[C@@H]1C[C@@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@@H]23)[C@@]1(O)CCc1ccoc1 ZINC000005369981 EF Annotated Anodyne C[C@@H]1C[C@@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@H]23)[C@@]1(O)CCc1ccoc1 ZINC000005369990 EF Annotated Anodyne CCNc1nc(NCC)nc(N/N=C(\C)c2ccc(OC)cc2)n1 ZINC000005415293 EF Annotated Mild C[C@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccncc1 ZINC000005423552 EF Annotated Reactive C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)c1ccncc1 ZINC000005423554 EF Annotated Reactive Cc1ccc2nc(Cl)c(/C=N/Nc3nc(C)cc(C)n3)c(=O)n2c1 ZINC000005447258 EF Annotated Mild CC(C)(C)NC(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000005449607 EF Annotated Bother COc1ccc(/C=N/NC(=O)CO/N=C(\C)c2cccs2)cc1 ZINC000005494752 EF Annotated Reactive CCCN(CCC)c1c([N+](=O)[O-])cc(C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000005499312 EF Annotated Bother CCN(CC)c1ccc(/C=C/C=C2\C(=O)NC(=S)N=C2O)cc1 ZINC000005499460 EF Annotated Clean CCOC(=O)[C@@H]1Cc2c(cc3c4c(cccc24)N(C(C)=O)C3)N(C)C1 ZINC000005499719 EF Annotated Anodyne C[C@]12C[C@H]([C@H]3CCOC3)OC(=O)[C@@H]1CC[C@@]13COC(=O)[C@@H]1CCC[C@@H]32 ZINC000523041465 EF Annotated Anodyne C[C@]12C[C@H]([C@H]3CCOC3)OC(=O)[C@@H]1CC[C@@]13COC(=O)[C@H]1CCC[C@@H]32 ZINC000523041466 EF Annotated Anodyne C[C@]12C[C@H]([C@@H]3CCOC3)OC(=O)[C@@H]1CC[C@@]13COC(=O)[C@H]1CCC[C@@H]32 ZINC000523041467 EF Annotated Anodyne C[C@]12C[C@H]([C@@H]3CCOC3)OC(=O)[C@@H]1CC[C@@]13COC(=O)[C@@H]1CCC[C@@H]32 ZINC000523041468 EF Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)C(=C)CC[C@@H]12 ZINC000523041542 EF Annotated Mild O=C(Nc1ccc(N2CCCCC2)cc1)N1CCc2nc[nH]c2C1 ZINC000052569875 EF Annotated Anodyne CCN(CC(F)(F)F)C1=C[C@H]2NC(=O)C=C(C(F)(F)F)[C@@H]2C=C1 ZINC000053006881 EF Annotated Anodyne CCN(CC(F)(F)F)C1=C[C@@H]2NC(=O)C=C(C(F)(F)F)[C@@H]2C=C1 ZINC000053006882 EF Annotated Anodyne Nc1cc(-c2ccc(C(F)(F)F)cc2)ccc1NS(N)(=O)=O ZINC000053007126 EF Annotated Anodyne OCCN1CCN(C2=Nc3ccccc3CC=C2c2ccccc2)CC1 ZINC000053046169 EF Annotated Anodyne Cn1/c(=N/NC(=O)C23CC4CC(CC(C4)C2)C3)oc2ccccc21 ZINC000053199556 EF Annotated Reactive C[C@H](O)c1cncc2c(=O)n3c(cc12)-c1[nH]c2ccc(O)cc2c1CC3 ZINC000053242784 EF Annotated Anodyne C[C@@H](O)c1cncc2c(=O)n3c(cc12)-c1[nH]c2ccc(O)cc2c1CC3 ZINC000053242786 EF Annotated Anodyne Cn1ncc2c1CCOC21CCN(CCCc2ccccc2)CC1 ZINC000053242899 EF Annotated Anodyne Cc1c(F)c(N2CC[C@H](N(C)C)C2)n2c(nc3ccccc32)c1C#N ZINC000053242988 EF Annotated Mild O=C(c1ccc(O)c(O)c1)c1c(Cl)c(O)c(O)c(O)c1Cl ZINC000053294284 EF Annotated Clean CCOC(=O)c1c(C(=O)OCC)c2ccccn2c1C(=O)C1CC1 ZINC000053296972 EF Annotated Anodyne CCc1cccc2c1ccc1c(NCC(=O)N(C)OC)cc(=O)oc12 ZINC000053312535 EF Annotated Bother CC(C)(O)C#Cc1ccccc1-n1nnn(-c2ccccc2)c1=S ZINC000053314056 EF Annotated Mild CCOC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCSC)[C@H]1CC ZINC000053598315 EF Annotated Anodyne CCOC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCSC)[C@H]1CC ZINC000053598316 EF Annotated Anodyne CCOC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCSCC)[C@H]1C ZINC000053598317 EF Annotated Anodyne CCOC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCSCC)[C@H]1C ZINC000053598318 EF Annotated Anodyne CCCCC/C=C/C=C/c1oc2c(c(=O)c1O)C(=O)N(C)[C@H]2CO ZINC000535386609 EF Annotated Anodyne CCCCC/C=C/C=C/c1oc2c(c(=O)c1O)C(=O)N(C)[C@@H]2CO ZINC000535386610 EF Annotated Anodyne CCOC(=O)/C(=N\Nc1ccccc1Cl)N1C[C@@H](C)O[C@H](C)C1 ZINC000005525184 EF Annotated Mild CCOC(=O)/C(=N\Nc1ccccc1Cl)N1C[C@H](C)O[C@@H](C)C1 ZINC000005525185 EF Annotated Mild Cc1c(C)n(-c2ccccc2)c2nc([S@](C)=O)nc([S@](C)=O)c12 ZINC000005539271 EF Annotated Anodyne Cc1c(C)n(-c2ccccc2)c2nc([S@@](C)=O)nc([S@](C)=O)c12 ZINC000005539274 EF Annotated Anodyne Cc1c(C)n(-c2ccccc2)c2nc([S@](C)=O)nc([S@@](C)=O)c12 ZINC000005539279 EF Annotated Anodyne Cc1c(C)n(-c2ccccc2)c2nc([S@@](C)=O)nc([S@@](C)=O)c12 ZINC000005539285 EF Annotated Anodyne C[C@@H]1C(=O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC[C@H]1COC(=O)C1 ZINC000005553192 EF Annotated Anodyne biogenic C[C@@H]1C(=O)C[C@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC[C@H]1COC(=O)C1 ZINC000005553195 EF Annotated Anodyne biogenic CC(=O)Nc1cc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)ccc1Cl ZINC000005562670 EF 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@@H](C)[C@H]12 ZINC000005566273 EF Annotated Mild COc1ccc(C2=NN(C(C)=O)c3nc4ccccc4nc3O2)cc1 ZINC000005602175 EF Annotated Anodyne C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC[C@H]1COC(=O)C1 ZINC000005664595 EF Annotated Anodyne biogenic C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCC1=CC(=O)OC1 ZINC000005664606 EF Annotated Anodyne biogenic C[C@H]1[C@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCC1=CC(=O)OC1 ZINC000005664611 EF Annotated Anodyne C[C@@H]1[C@@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCC1=CC(=O)OC1 ZINC000005664612 EF Annotated Anodyne C[C@H]1[C@@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCC1=CC(=O)OC1 ZINC000005664614 EF Annotated Anodyne CCCc1nn2c(N)c(/C=C3\C=Nc4ccccc43)c(=O)nc2s1 ZINC000005686298 EF Annotated Anodyne C=C1[C@@H](OC(C)=O)C[C@@H]2C[C@]3(C)[C@@H](OC(C)=O)CC(C)(C)[C@@H]3[C@@]12O ZINC000005711947 EF Annotated Mild CC(C)(Br)[C@H](Br)CC[C@@]1([C@@H]2CO2)CO1 ZINC000005715076 EF Annotated Reactive CC(C)(Br)[C@@H](Br)CC[C@]1([C@@H]2CO2)CO1 ZINC000005715132 EF Annotated Reactive CC(C)(Br)[C@@H](Br)CC[C@@]1([C@@H]2CO2)CO1 ZINC000005715140 EF Annotated Reactive Cn1c2c(O)c(O)ccc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3 ZINC000005734346 EF Annotated Clean CC1(C)[C@H]2CC[C@]1(C)/C(=N/OCCN1CCCC1)[C@H]2N1CCOCC1 ZINC000005757347 EF Annotated Mild CC1=C[C@@]2(C=C(C(=O)O)[C@@]34CCCC(C)(C)[C@H]3C[C@@H]2OC4)OC1=O ZINC000005757738 EF Annotated Anodyne CC1(C)CCC[C@]2(C)[C@H]3Cc4occc4[C@@H](C(=O)O)[C@@H]3[C@@H](O)[C@H](O)[C@@H]12 ZINC000005762296 EF Annotated Anodyne O=[N+]([O-])c1ccc([C@@](O)(C#CCN2CCCC2)c2ccccc2)cc1 ZINC000005775336 EF Annotated Mild CCCCOCCOC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O ZINC000005783985 EF Annotated Mild COc1nc(SC)nc2c1[C@H](O)n1c(nc3ccccc31)S2 ZINC000005800898 EF Annotated Anodyne CCO[C@H](OC(C)=O)[C@@H]1C=C[C@H](C)N(c2ccc([N+](=O)[O-])cc2)O1 ZINC000005809598 EF Annotated Bother C[C@@H]1CCC[C@H]([C@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1=O ZINC000005810765 EF Annotated Anodyne C[C@@H]1CCC[C@@H]([C@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1=O ZINC000005810767 EF Annotated Anodyne C[C@@H]1CCC(=O)[C@H]([C@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1 ZINC000005810769 EF Annotated Anodyne C[C@@H]1CCC(=O)[C@@H]([C@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1 ZINC000005810774 EF Annotated Anodyne Cc1c(C(=O)/C=C/c2ccccc2Cl)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000005810838 EF Annotated Mild O=C1c2cc(Cl)ccc2N=C(NCCCl)[C@H]2CSCN12 ZINC000005822917 EF Annotated Reactive Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)[O-])c3nc12 ZINC000005823187 EF Annotated Clean C#CCN1C(=O)N(Cc2ccccc2)S(=O)(=O)c2cscc21 ZINC000005827987 EF Annotated Mild CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/OCCN1CCCC1)[C@H]2N1CCOCC1 ZINC000005832598 EF Annotated Mild CO/[S@](=N/S(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000005833994 EF Annotated Bother CC(C)(C)n1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(NC3CC3)cc21 ZINC000005834342 EF Annotated Bother Cc1ccc([C@@H]2[C@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1 ZINC000005838678 EF Annotated Reactive Cc1ccc([C@H]2[C@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1 ZINC000005838684 EF Annotated Reactive CCO[C@@H](OC(C)=O)[C@@H]1C=C[C@H](C)N(c2ccc([N+](=O)[O-])cc2)O1 ZINC000005840026 EF Annotated Bother C[C@@H]1NC(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2NC1=O ZINC000005840553 EF Annotated Anodyne CN(C)C[C@@H]1CCC[C@H](CN(C)C)C1=NOC(=O)c1ccccc1 ZINC000005841219 EF Annotated Mild CN(C)C[C@H]1CCC[C@H](CN(C)C)C1=NOC(=O)c1ccccc1 ZINC000005841223 EF Annotated Mild CN(C)C[C@@H]1CCC[C@@H](CN(C)C)C1=NOC(=O)c1ccccc1 ZINC000005841228 EF Annotated Mild CCN1c2cc(Br)cnc2N(C)C(=O)c2cccnc21 ZINC000005842635 EF Annotated Anodyne CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1cccc(N)c1)[C@@H](C)N2 ZINC000005844357 EF Annotated Anodyne CO[C@H]1c2cccc3cccc(c23)[C@@H]1n1[nH]c(=O)n(C(C)(C)C)c1=O ZINC000005846862 EF Annotated Anodyne CN(C)c1ccc(/C=C2/C(=O)NC(=S)N=C2O)c2ccccc12 ZINC000005848917 EF Annotated Clean C[N+](CCCl)(CCCl)Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000005852451 EF Annotated Reactive CC(=O)NN(c1ccccc1)[C@H]1CCN(c2ccccc2)N1C(C)=O ZINC000005853090 EF Annotated Reactive CCCCc1cc(NCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C ZINC000005883222 EF Annotated Anodyne CCOC(=O)[C@@H](C)c1nc2c(Cl)c3ncccc3cc2[nH]c1=O ZINC000005884165 EF Annotated Bother CSc1c(C#N)c(O)n(-c2ccc(Cl)cc2)c(=O)c1C(C)=O ZINC000005884213 EF Annotated Mild CCOC(=O)c1cc(NCc2nc3ccccc3o2)c(=O)[nH]c1C ZINC000005884255 EF Annotated Anodyne CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1ccc(OC)c(C)c1 ZINC000005885984 EF Annotated Anodyne CCc1c(C)[nH]c(=O)c(N(C)CCOC)c1C(=O)c1cccc(C)c1 ZINC000005886068 EF Annotated Anodyne CCc1c(C)[nH]c(=O)c(N(C)CCCO)c1Cc1cccc(C)c1 ZINC000005886419 EF Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(CC[C@H](O)[C@@]2(C)CO)[C@H]1C/C=C1/CCOC1=O ZINC000005887242 EF Annotated Mild C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C/C=C1/CCOC1=O ZINC000005887254 EF Annotated Mild O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3ccccc3)SC2)o1 ZINC000005888846 EF Annotated Bother CC1=C[C@]2(O)C(=O)[C@H](C)C[C@H]3[C@@H](CC[C@@](C)(O)/C=C\2C1=O)C3(C)C ZINC000005891075 EF Annotated Mild O=C(OCc1nc2ccc(Cl)cc2n1CCO)c1ccc(O)cc1 ZINC000005901973 EF Annotated Anodyne aggregator Cc1c(C(=O)O)sc2nc(/C=C/c3cccc(O)c3)[nH]c(=O)c12 ZINC000005902267 EF Annotated Anodyne COc1ccc(C(=O)N/N=C(\Cc2ncc[nH]2)c2ccccc2)cc1 ZINC000005902276 EF Annotated Reactive CCOC(=O)c1cc2c3c(cc(OC)c2[nH]1)N(C(=O)OCC)CC3 ZINC000005922330 EF Annotated Anodyne O=C1Cc2c([nH]c3ccccc23)C2(C[C@H]3CCCCN13)OCCO2 ZINC000005922564 EF Annotated Anodyne O[C@@]1(C#Cc2ccc3c(c2)OCO3)CCC[C@H]1NCc1ccccc1 ZINC000005924634 EF Annotated Mild C[C@H]1O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O ZINC000005929777 EF Annotated Anodyne C[C@H]1O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O ZINC000005929780 EF Annotated Anodyne CN(C)Cc1c(O)ccc2c1c1c(n2C)C(=O)c2ccccc2C1=O ZINC000005932644 EF Annotated Clean Cn1c2c(c3ccccc31)CC(=O)N1CCC[C@@H](C1)CC21OCCO1 ZINC000005932656 EF Annotated Anodyne O=C1Nc2c(Cn3cccn3)ccnc2N(C2CC2)c2ncccc21 ZINC000005933766 EF Annotated Anodyne O=C1C[C@@H](NC(=O)C(F)(F)F)c2c1csc2Br ZINC000005940337 EF Annotated Anodyne COc1ccccc1[C@H]1C2=C(COC2=O)Oc2cc3c(cc21)OCO3 ZINC000005941915 EF Annotated Anodyne C=C(C)C#C[C@](O)(C(=O)O[C@@H]1C2CCN(CC2)[C@@H]1C)C1CCCCC1 ZINC000005954703 EF Annotated Mild C=C(C)C#C[C@](O)(C(=O)O[C@@H]1C2CCN(CC2)[C@H]1C)C1CCCCC1 ZINC000005954705 EF Annotated Mild C=C(C)C#C[C@](O)(C(=O)O[C@H]1C2CCN(CC2)[C@@H]1C)C1CCCCC1 ZINC000005954706 EF Annotated Mild C=C(C)C#C[C@](O)(C(=O)O[C@H]1C2CCN(CC2)[C@H]1C)C1CCCCC1 ZINC000005954707 EF Annotated Mild C=C[C@]1(C)CC(=O)[C@@H]([C@@H](C)C=O)[C@]12C(=O)Oc1cccc(C)c1C2=O ZINC000005955804 EF Annotated Mild CN(C)/C=N/c1ccc2c(c1)C(=O)c1ccc(/N=C/N(C)C)cc1C2=O ZINC000005957179 EF Annotated Mild CC(C)CC(=O)N[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O ZINC000005962512 EF Annotated Anodyne CC(C)CC(=O)N[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1O ZINC000005962514 EF Annotated Anodyne CC(C)CC(=O)N[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O ZINC000005962516 EF Annotated Anodyne CC(C)CC(=O)N[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1O ZINC000005962518 EF Annotated Anodyne CC(C)CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O ZINC000005962522 EF Annotated Anodyne CC(C)CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1O ZINC000005962523 EF Annotated Anodyne CC(C)CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O ZINC000005962524 EF Annotated Anodyne CC(C)CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1O ZINC000005962525 EF Annotated Anodyne CC(=O)[C@@H](C(=O)OC(C)C)C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000005963051 EF Annotated Mild CC(=O)[C@H](C(=O)OC(C)C)C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000005963053 EF Annotated Mild CC(C)OP(=O)(COCCn1ccc(O)cc1=O)OC(C)C ZINC000005963077 EF Annotated Anodyne CCNC(=S)Nc1c(C#N)c2n(c1C(=O)OCC)CCCCC2 ZINC000005963495 EF Annotated Mild CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](O)[C@H]1O[C@@H]1CCCCO1 ZINC000005963863 EF Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](O)[C@H]1O[C@@H]1CCCCO1 ZINC000005963876 EF Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](O)[C@@H]1O[C@@H]1CCCCO1 ZINC000005963930 EF Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](O)[C@@H]1O[C@@H]1CCCCO1 ZINC000005963946 EF Annotated Anodyne CC1=NN(c2nc(N)nc(/C(C#N)=C/c3ccccc3O)n2)C(C)(C)C1 ZINC000005964583 EF Annotated Reactive CCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C[C@]23C=C[C@H]1O3 ZINC000005965072 EF Annotated Anodyne Cn1c(O)c(/N=N\C(=O)CNC(=O)c2ccco2)c2ccccc21 ZINC000005982203 EF Annotated Clean CC1=C(C)C[C@@H]2C(=O)N(CCCCc3ccncc3)S(=O)(=O)[C@H]2C1 ZINC000005992815 EF Annotated Anodyne O=C1[C@@H]2C[C@@H](CN2Cc2cccc3nccnc23)N1c1ccccc1F ZINC000055060777 EF Annotated Anodyne Cc1ccc(CN(C)Cc2cnc(S(C)(=O)=O)n2CC(C)C)cc1 ZINC000055119155 EF Annotated Anodyne C=C(C)CN(CC)Cc1cnc(S(=O)(=O)CC)n1CCCC ZINC000055167090 EF Annotated Mild CC(C)CN1CCC(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1 ZINC000055403956 EF Annotated Anodyne CN1CCN(Cc2ccc(Cl)cc2Cl)[C@H](C2=NCCCN2)C1 ZINC000055875742 EF Annotated Anodyne COc1ccc(Cc2nc3cc4c(cc3[nH]2)OCCO4)cc1OC ZINC000057797787 EF Annotated Anodyne COc1ccc(OC)c([C@H]2N(c3ccccn3)C(=O)[C@H]3CCCN32)c1 ZINC000058046646 EF Annotated Anodyne COc1ccc(OC)c([C@@H]2N(c3ccccn3)C(=O)[C@H]3CCCN23)c1 ZINC000058046647 EF Annotated Anodyne COc1cccc([C@H]2N(c3nccs3)C(=O)[C@H]3CCCN32)c1OC ZINC000058047278 EF Annotated Anodyne COc1cccc([C@@H]2N(c3nccs3)C(=O)[C@H]3CCCN23)c1OC ZINC000058047285 EF Annotated Anodyne COc1ccc(OC)c([C@H]2N(c3nccs3)C(=O)[C@H]3CCCN32)c1 ZINC000058047303 EF Annotated Anodyne COc1ccc(OC)c([C@@H]2N(c3nccs3)C(=O)[C@H]3CCCN23)c1 ZINC000058047311 EF Annotated Anodyne CCOc1ccc([C@H]2N(c3cc(C)on3)C(=O)[C@H]3CCCN32)cc1 ZINC000058047641 EF Annotated Anodyne CCOc1ccc([C@@H]2N(c3cc(C)on3)C(=O)[C@H]3CCCN23)cc1 ZINC000058047648 EF Annotated Anodyne COc1ccc([C@H]2N(c3cc(C)on3)C(=O)[C@H]3CCCN32)cc1OC ZINC000058047651 EF Annotated Anodyne COc1ccc([C@@H]2N(c3cc(C)on3)C(=O)[C@H]3CCCN23)cc1OC ZINC000058047654 EF Annotated Anodyne CCOc1ccccc1[C@H]1N(c2cc(C)on2)C(=O)[C@H]2CCCN21 ZINC000058047748 EF Annotated Anodyne CCOc1ccccc1[C@@H]1N(c2cc(C)on2)C(=O)[C@H]2CCCN12 ZINC000058047752 EF Annotated Anodyne COc1ccc(OC)c([C@H]2N(c3cc(C)on3)C(=O)[C@H]3CCCN32)c1 ZINC000058047762 EF Annotated Anodyne COc1ccc(OC)c([C@@H]2N(c3cc(C)on3)C(=O)[C@H]3CCCN23)c1 ZINC000058047763 EF Annotated Anodyne Cc1cc(C)c(CC/N=C(\O)N/N=c2\nc(C)cc(C)[nH]2)c(C)c1 ZINC000058214503 EF Annotated Mild CN1CCN(Cc2ccc(Cl)cc2Cl)[C@@H](C2=NCCCN2)C1 ZINC000058492077 EF Annotated Anodyne Oc1ccc(-c2[nH][nH]c(=NCc3cnc[nH]3)c2-c2ccc(O)cc2)cc1 ZINC000584904822 EF Annotated Anodyne CCn1c(Sc2cccc(OC)c2)c(C)c2c(N)[nH]c(=N)nc21 ZINC000584905315 EF Annotated Anodyne O=C(c1cccc(F)c1)[C@H]1CNC[C@@H]1c1ccc2c(O)ncnc2c1 ZINC000584905428 EF Annotated Anodyne CC(C)C[C@@H]1n2cncc2CN(Cc2cccs2)S1(=O)=O ZINC000058502170 EF Annotated Anodyne CC(=O)Oc1ccccc1-c1nn2c(-c3ccncc3)nnc2s1 ZINC000058512528 EF Annotated Anodyne N[C@@]1(C(=O)O)C[C@H]2C[C@@H]1c1cc(N(CCCl)CCCl)ccc12 ZINC000058520153 EF Annotated Reactive O=C(O)CCCC(=O)O[C@]12CCCC[C@@H]1[C@H]1CCCC[C@]1(O)OO2 ZINC000058528668 EF Annotated Anodyne N#Cc1c(-c2cccs2)[n+]([O-])c2ccc(C(F)(F)F)cc2[n+]1[O-] ZINC000058534204 EF Annotated Mild CN1CC[C@@]2(CCCC2=O)[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000058538322 EF Annotated Anodyne CC(C)CN(NC(=O)OC(C)(C)C)c1nc(Cl)ncc1[N+](=O)[O-] ZINC000058548389 EF Annotated Reactive CC(C)CN(NC(=O)OC(C)(C)C)c1nc(Cl)ncc1C#N ZINC000058569316 EF Annotated Reactive CCNC(=O)c1ccc(-c2ccc3c(C)cc4n[nH]c(=O)n4c3c2)cc1 ZINC000058575627 EF Annotated Anodyne Cc1cc2n[nH]c(=O)n2c2cc(-c3ccc([S@](C)=O)cc3)ccc12 ZINC000058575796 EF Annotated Anodyne COc1ccc(C2=C(c3ccc4c(c3)oc(=O)n4C)COC2=O)cc1 ZINC000058581333 EF Annotated Anodyne CC(C)CN(NC(=O)OC(C)(C)C)c1ncc(C#N)c(Cl)n1 ZINC000058582730 EF Annotated Reactive O=c1[nH]c(OCCCOc2ccccc2Cl)nc2ncccc12 ZINC000058582905 EF Annotated Anodyne O=c1[nH]c(OCCCOc2cccc(Cl)c2)nc2ncccc12 ZINC000058582906 EF Annotated Anodyne Cn1c(=O)oc2cc(-c3coc(=O)n3-c3ccc(F)cc3)ccc21 ZINC000058583922 EF Annotated Anodyne O=c1[nH]c(OCCCOc2ccc(Cl)cc2)nc2ncccc12 ZINC000058591549 EF Annotated Anodyne CN(C)CCn1c(=O)oc2ccc(NC(=O)N3CCCCCC3)cc21 ZINC000058655947 EF Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC[C@H]4[C@](O)(C#N)[C@H](O)CC[C@]34C)[C@@H]1CCC(=O)O2 ZINC000058669393 EF Annotated Reactive O=C(CCN1CCN2Cc3ccccc3C[C@H]2C1)Nc1ccccc1 ZINC000058682946 EF Annotated Anodyne NC(N)=N/N=C/c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000058783787 EF Annotated Anodyne O=C1CCC(c2ccccc2)(c2nc3c(O)nc(S)nc3[nH]2)CC1 ZINC000586877876 EF Annotated Anodyne N#Cc1nc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2nc1C#N ZINC000586877936 EF Annotated Mild O=C(O)/C=C/c1ccccc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586878534 EF Annotated Anodyne O=C(O)/C=C\c1ccccc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586878536 EF Annotated Anodyne O=C1COc2cc3[nH]c(/C=C/c4ccccc4C(=O)O)nc3cc2N1 ZINC000586878558 EF Annotated Anodyne O=C1COc2cc3[nH]c(/C=C\c4ccccc4C(=O)O)nc3cc2N1 ZINC000586878560 EF Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2c(S)nc(S)nc2[nH]1 ZINC000586878878 EF Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2c(S)nc(S)nc2[nH]1 ZINC000586878890 EF Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586880487 EF Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586880490 EF Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000586880834 EF Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586880892 EF Annotated Bother O=C(O)/C=C/c1ccccc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000586880905 EF Annotated Anodyne O=C(O)/C=C\c1ccccc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000586880909 EF Annotated Anodyne O=C(O)/C=C/c1ccccc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000586881276 EF Annotated Anodyne O=C(O)/C=C\c1ccccc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000586881279 EF Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586882101 EF Annotated Bother CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000586882103 EF Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2nc(Br)c[nH]c-2n1 ZINC000586882112 EF Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2nc(Br)c[nH]c-2n1 ZINC000586882113 EF Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000586882179 EF Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3nc(Br)c[nH]c-3n1)C2 ZINC000586884476 EF Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3nc(Br)c[nH]c-3n1)C2 ZINC000586884478 EF Annotated Anodyne COC(=O)c1ccc2nc([C@@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2n1 ZINC000586884697 EF Annotated Anodyne COC(=O)c1ccc2nc([C@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2n1 ZINC000586884703 EF Annotated Anodyne COC(=O)c1ccc2nc([C@@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2n1 ZINC000586884704 EF Annotated Anodyne COC(=O)c1ccc2nc([C@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2n1 ZINC000586884705 EF Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 ZINC000586884858 EF Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 ZINC000586884864 EF Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 ZINC000586884865 EF Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 ZINC000586884866 EF Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc2cc1OC ZINC000586886278 EF Annotated Anodyne COC(=O)c1cc2[nH]c([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc2cc1OC ZINC000586886282 EF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@](C)(O)C(C)C)[nH]c2c1 ZINC000586886310 EF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@](C)(O)C(C)C)[nH]c2c1 ZINC000586886313 EF Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586886662 EF Annotated Reactive O=C(O)[C@H](O)[C@H](O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586886667 EF Annotated Reactive O=C(O)[C@@H](O)[C@@H](O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586886670 EF Annotated Reactive O=C(O)[C@@H](O)[C@H](O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586886673 EF Annotated Reactive OC[C@@H](O)[C@H](O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586886856 EF Annotated Reactive OC[C@H](O)[C@@H](O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586886866 EF Annotated Reactive OC[C@H](O)[C@H](O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586886867 EF Annotated Reactive OC[C@@H](O)[C@@H](O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586886868 EF Annotated Reactive CC1=C(c2ccc3nc([C@@H]4CCCC(=O)CC4)[nH]c3c2)NNC(=O)C1 ZINC000586886890 EF Annotated Anodyne CC1=C(c2ccc3nc([C@H]4CCCC(=O)CC4)[nH]c3c2)NNC(=O)C1 ZINC000586886894 EF Annotated Anodyne CC(C)[C@@](C)(O)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586887285 EF Annotated Anodyne CC(C)[C@](C)(O)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586887290 EF Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1OC ZINC000586888189 EF Annotated Anodyne COC(=O)c1ccc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1OC ZINC000586888190 EF Annotated Anodyne CC(C)[C@@](C)(O)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586888522 EF Annotated Anodyne CC(C)[C@](C)(O)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586888523 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 ZINC000586888596 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 ZINC000586888597 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 ZINC000586888598 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12 ZINC000586888599 EF Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@@H](O)c3cccc(O)c3)nc2c1 ZINC000586888887 EF Annotated Mild N#Cc1cc(Br)c2[nH]c([C@H](O)c3cccc(O)c3)nc2c1 ZINC000586888892 EF Annotated Mild NS(=O)(=O)c1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 ZINC000586889261 EF Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1 ZINC000586889262 EF Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1 ZINC000586889264 EF Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 ZINC000586889268 EF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@](C)(O)C(C)C)nc2c1 ZINC000586889983 EF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@](C)(O)C(C)C)nc2c1 ZINC000586889984 EF Annotated Anodyne Cc1nc2[nH]c([C@H](O)c3cccc(O)c3)nc2cc1Br ZINC000586890488 EF Annotated Anodyne Cc1nc2[nH]c([C@@H](O)c3cccc(O)c3)nc2cc1Br ZINC000586890491 EF Annotated Anodyne c1ccc2c(c1)CC[C@]21C[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586890573 EF Annotated Anodyne c1ccc2c(c1)CC[C@@]21C[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586890581 EF Annotated Anodyne c1ccc2c(c1)CC[C@@]21C[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586890585 EF Annotated Anodyne c1ccc2c(c1)CC[C@]21C[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586890586 EF Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000586891845 EF Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000586891856 EF Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000586891858 EF Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000586891860 EF Annotated Anodyne Oc1cccc([C@@H](O)c2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000586891952 EF Annotated Anodyne Oc1cccc([C@H](O)c2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000586891976 EF Annotated Anodyne COC(=O)c1cc2nc([C@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2cn1 ZINC000586892334 EF Annotated Anodyne COC(=O)c1cc2nc([C@@H](O)[C@H](C)c3ccc(C)cc3)[nH]c2cn1 ZINC000586892335 EF Annotated Anodyne COC(=O)c1cc2nc([C@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2cn1 ZINC000586892336 EF Annotated Anodyne COC(=O)c1cc2nc([C@@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c2cn1 ZINC000586892337 EF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](O)c3cccc(O)c3)nc2c1 ZINC000586892408 EF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](O)c3cccc(O)c3)nc2c1 ZINC000586892414 EF Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](O)c3cccc(O)c3)nc12 ZINC000586892626 EF Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](O)c3cccc(O)c3)nc12 ZINC000586892629 EF Annotated Anodyne Oc1cccc([C@@H](O)c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000586893079 EF Annotated Anodyne Oc1cccc([C@H](O)c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000586893083 EF Annotated Anodyne Oc1cccc([C@@H](O)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000586893326 EF Annotated Anodyne Oc1cccc([C@H](O)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000586893335 EF Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586893378 EF Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586893392 EF Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586893395 EF Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 ZINC000586893397 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](O)[C@H](C)c3ccc(C)cc3)nc12 ZINC000586893559 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](O)[C@H](C)c3ccc(C)cc3)nc12 ZINC000586893560 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](O)[C@@H](C)c3ccc(C)cc3)nc12 ZINC000586893561 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](O)[C@@H](C)c3ccc(C)cc3)nc12 ZINC000586893562 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 ZINC000586893816 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 ZINC000586893817 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 ZINC000586893818 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 ZINC000586893819 EF Annotated Anodyne OCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586894623 EF Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3c(O)nc(O)nc3[nH]2)c1 ZINC000586894675 EF Annotated Anodyne COC(=O)c1cc2nc(CCO)[nH]c2c(F)c1Nc1ccccc1 ZINC000586894781 EF Annotated Anodyne OCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586894815 EF Annotated Anodyne OCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586894938 EF Annotated Anodyne OCc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000586895242 EF Annotated Anodyne OCc1cccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000586895398 EF Annotated Anodyne COC(=O)c1cc2[nH]c(C34CCC(CO)(CC3)CC4)nc2cc1OC ZINC000586895489 EF Annotated Anodyne COC(=O)c1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c1OC ZINC000586895495 EF Annotated Anodyne OCC12CCC(c3nc4nc(Br)c[nH]c-4n3)(CC1)CC2 ZINC000586895502 EF Annotated Anodyne CN(C)C(=O)c1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c1 ZINC000586895568 EF Annotated Anodyne OCC12CCC(c3nc4cnc(C(F)(F)F)[nH]c-4n3)(CC1)CC2 ZINC000586895735 EF Annotated Anodyne CC1=C(c2ccc3nc(CCc4cccc(O)c4)[nH]c3c2)NNC(=O)C1 ZINC000586895868 EF Annotated Anodyne COC(=O)c1ccc2nc(CCc3cccc(O)c3)[nH]c2c1OC ZINC000586896075 EF Annotated Anodyne Oc1cccc(CCCCc2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000586896076 EF Annotated Anodyne Oc1ccc(C2(c3nc4nc(Br)c[nH]c-4n3)CC2)cc1 ZINC000586896254 EF Annotated Anodyne Oc1ccccc1C1(c2nc3nc(Br)c[nH]c-3n2)CC1 ZINC000586896409 EF Annotated Anodyne O=[N+]([O-])c1cc2nc(CCc3cccc(O)c3)[nH]c2cc1[N+](=O)[O-] ZINC000586896755 EF Annotated Bother Oc1c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)ccc2c1CCCC2 ZINC000586899066 EF Annotated Anodyne O[C@H]1CC[C@@H](c2nc3cc(I)cnc3[nH]2)CC1 ZINC000586899114 EF Annotated Anodyne O=[N+]([O-])c1cc2nc(C34CCC(CO)(CC3)CC4)[nH]c2cc1[N+](=O)[O-] ZINC000586899735 EF Annotated Bother Oc1nc(NCc2ccccc2)c2nc([C@@H]3CC[C@H](O)CC3)nc-2[nH]1 ZINC000586899898 EF Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3CC[C@H](O)CC3)[nH]c2c1)C(F)(F)F ZINC000586899973 EF Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cnnc(O)c3[nH]2)cc1 ZINC000586900154 EF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](O)CC(C)C)[nH]c2c1 ZINC000586900210 EF Annotated Anodyne COC(=O)c1cc2[nH]c([C@H]3C[C@@H](O)c4ccccc43)nc2cc1OC ZINC000586900234 EF Annotated Anodyne COC(=O)c1cc2[nH]c([C@H]3C[C@H](O)c4ccccc43)nc2cc1OC ZINC000586900236 EF Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3C[C@@H](O)c4ccccc43)nc2cc1OC ZINC000586900238 EF Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3C[C@H](O)c4ccccc43)nc2cc1OC ZINC000586900239 EF Annotated Anodyne CC(C)(CO)[C@@H](O)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586900261 EF Annotated Anodyne CC(C)C[C@H](O)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586900308 EF Annotated Anodyne CC(C)(CO)[C@@H](O)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586900321 EF Annotated Anodyne CC(C)C[C@H](O)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586900322 EF Annotated Anodyne CC[C@H](O)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586900778 EF Annotated Anodyne CC[C@H](O)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586901153 EF Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3c(O)ncnc3[nH]2)cc1 ZINC000586901243 EF Annotated Anodyne N#Cc1nc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2nc1C#N ZINC000586901341 EF Annotated Mild Nc1ncnc2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc12 ZINC000586901773 EF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccoc3C3CC3)[nH]c12 ZINC000586901865 EF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](O)CC)nc2c1 ZINC000586902059 EF Annotated Anodyne CC(C)C[C@H](O)c1nc2cc(I)cnc2[nH]1 ZINC000586902097 EF Annotated Anodyne CC(C)(CO)[C@@H](O)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586902130 EF Annotated Clean COC(=O)c1cc2[nH]c(-c3oc4c(c3C)[C@H](O)CCC4)nc2cn1 ZINC000586902484 EF Annotated Anodyne COC(=O)c1cc2[nH]c(-c3oc4c(c3C)[C@@H](O)CCC4)nc2cn1 ZINC000586902490 EF Annotated Anodyne O=[N+]([O-])c1cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2cc1[N+](=O)[O-] ZINC000586902513 EF Annotated Bother O=[N+]([O-])c1cc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2cc1[N+](=O)[O-] ZINC000586902517 EF Annotated Bother O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1[N+](=O)[O-] ZINC000586902519 EF Annotated Bother O=[N+]([O-])c1cc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2cc1[N+](=O)[O-] ZINC000586902521 EF Annotated Bother Cc1oc2c(c1-c1nc3ccc(-n4cnnn4)cc3[nH]1)C(=O)CCC2 ZINC000586902607 EF Annotated Anodyne Cc1c(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)oc2c1[C@H](O)CCC2 ZINC000586902632 EF Annotated Anodyne Cc1c(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)oc2c1[C@@H](O)CCC2 ZINC000586902633 EF Annotated Anodyne CCOCc1ccc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)o1 ZINC000586902944 EF Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4nc(=N)[nH]c(Cl)c4[nH]3)oc12 ZINC000586903150 EF Annotated Anodyne COC(=O)c1ccc2nc(-c3c(C)oc4c3C(=O)CCC4)[nH]c2n1 ZINC000586903285 EF Annotated Anodyne Cc1c(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586903499 EF Annotated Anodyne Cc1c(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586903502 EF Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3oc4c(c3C)[C@H](O)CCC4)nc2n1 ZINC000586903529 EF Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3oc4c(c3C)[C@@H](O)CCC4)nc2n1 ZINC000586903531 EF Annotated Anodyne Cc1c(-c2nc3c(S)nc(S)nc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586903630 EF Annotated Anodyne Cc1c(-c2nc3c(S)nc(S)nc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586903632 EF Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4c(O)nc(S)nc4[nH]3)oc12 ZINC000586903695 EF Annotated Anodyne Cc1oc2c(c1-c1nc3ccc(S(=O)(=O)O)cc3[nH]1)C(=O)CCC2 ZINC000586903756 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3c(C)oc4c3C(=O)CCC4)nc12 ZINC000586903811 EF Annotated Anodyne Cc1c(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586903938 EF Annotated Anodyne Cc1c(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586903941 EF Annotated Anodyne Cc1oc2c(c1-c1nc3cc4c(cc3[nH]1)OCC(=O)N4)C(=O)CCC2 ZINC000586904135 EF Annotated Anodyne COC(=O)c1cc2nc(-c3c(C)oc4c3C(=O)CCC4)[nH]c2cn1 ZINC000586904149 EF Annotated Anodyne COC(=O)c1ccnc2nc(-c3oc4c(c3C)[C@@H](O)CCC4)[nH]c12 ZINC000586904335 EF Annotated Anodyne COC(=O)c1ccnc2nc(-c3oc4c(c3C)[C@H](O)CCC4)[nH]c12 ZINC000586904336 EF Annotated Anodyne O[C@@H]1C[C@@H](c2nc3nc(Br)c[nH]c-3n2)c2ccccc21 ZINC000586904942 EF Annotated Anodyne O[C@H]1C[C@H](c2nc3nc(Br)c[nH]c-3n2)c2ccccc21 ZINC000586904945 EF Annotated Anodyne O[C@@H]1C[C@H](c2nc3nc(Br)c[nH]c-3n2)c2ccccc21 ZINC000586904947 EF Annotated Anodyne O[C@H]1C[C@@H](c2nc3nc(Br)c[nH]c-3n2)c2ccccc21 ZINC000586904948 EF Annotated Anodyne Cc1c(Br)cc2nc([C@H](O)C(C)(C)CO)[nH]c2c1C ZINC000586905067 EF Annotated Anodyne COC(=O)c1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c1OC ZINC000586905226 EF Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1OC ZINC000586905227 EF Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c1OC ZINC000586905228 EF Annotated Anodyne COC(=O)c1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c1OC ZINC000586905229 EF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3occ4c3CCC4)[nH]c12 ZINC000586905508 EF Annotated Anodyne O=C1COc2cc3[nH]c(/C=C4\OC(=O)c5ccccc54)nc3cc2N1 ZINC000586905852 EF Annotated Anodyne O=C1COc2cc3[nH]c(/C=C4/OC(=O)c5ccccc54)nc3cc2N1 ZINC000586905853 EF Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586905927 EF Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586905928 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc(CCc3cc4ccccc4o3)[nH]c12 ZINC000586906259 EF Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586906390 EF Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586906393 EF Annotated Anodyne O=C1OC(=O)c2cc(-c3nc4c(Br)ccnc4[nH]3)ccc21 ZINC000586906410 EF Annotated Reactive O=C1OC(=O)c2cc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)ccc21 ZINC000586906494 EF Annotated Reactive O=C1OC(=O)c2cc(-c3nc4cc(Br)cnc4[nH]3)ccc21 ZINC000586906636 EF Annotated Reactive CN(C)C(=O)c1ccc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2c1 ZINC000586906755 EF Annotated Anodyne CN(C)C(=O)c1ccc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2c1 ZINC000586906756 EF Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586906859 EF Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586906870 EF Annotated Anodyne NS(=O)(=O)c1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1 ZINC000586906915 EF Annotated Anodyne O=C1OC(=O)c2cc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)ccc21 ZINC000586907242 EF Annotated Reactive Oc1cccc2c1OCC(c1nc3nc(Br)c[nH]c-3n1)=C2 ZINC000586907552 EF Annotated Anodyne O=C1COc2cc3nc(C4=Cc5cccc(O)c5OC4)[nH]c3cc2N1 ZINC000586907643 EF Annotated Anodyne O=C1OC(=O)c2cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)ccc21 ZINC000586907746 EF Annotated Reactive O=C1OC(=O)c2cc(-c3nc4ccc(Br)nc4[nH]3)ccc21 ZINC000586907850 EF Annotated Reactive O=C1OC(=O)c2cc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)ccc21 ZINC000586908215 EF Annotated Reactive CN(C)C(=O)c1ccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2c1 ZINC000586908222 EF Annotated Anodyne CN(C)C(=O)c1ccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2c1 ZINC000586908232 EF Annotated Anodyne O=C1OC(=O)c2cc(-c3nc4ccnc(Br)c4[nH]3)ccc21 ZINC000586908263 EF Annotated Reactive O=C1c2ccoc2CC[C@H]1Cc1nc2c(S)nc(S)nc2[nH]1 ZINC000586908267 EF Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2c(S)nc(S)nc2[nH]1 ZINC000586908277 EF Annotated Anodyne Nc1ncnc2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc12 ZINC000586908420 EF Annotated Mild Nc1ncnc2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc12 ZINC000586908425 EF Annotated Mild Oc1ncnc2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc12 ZINC000586908439 EF Annotated Mild Oc1ncnc2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc12 ZINC000586908447 EF Annotated Mild O=C1OC(=O)c2cc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)ccc21 ZINC000586908689 EF Annotated Reactive Nc1ccc(Oc2ccc3nc(C[C@H]4COCCO4)[nH]c3c2)cc1 ZINC000586909092 EF Annotated Clean Nc1ccc(Oc2ccc3nc(C[C@@H]4COCCO4)[nH]c3c2)cc1 ZINC000586909104 EF Annotated Clean O=C1OC(=O)c2cc(-c3nc4cncc(Br)c4[nH]3)ccc21 ZINC000586909112 EF Annotated Reactive O=C1c2ccoc2CC[C@@H]1Cc1nc2nc(Br)c[nH]c-2n1 ZINC000586909137 EF Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2nc(Br)c[nH]c-2n1 ZINC000586909148 EF Annotated Anodyne O=C(O)c1cc(F)cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c12 ZINC000586909164 EF Annotated Anodyne O=C(O)c1cc(F)cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c12 ZINC000586909181 EF Annotated Anodyne Clc1cc(Br)cc2nc(C[C@@H]3COCCO3)[nH]c12 ZINC000586909438 EF Annotated Anodyne Clc1cc(Br)cc2nc(C[C@H]3COCCO3)[nH]c12 ZINC000586909444 EF Annotated Anodyne O=C(O)c1cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2cc1F ZINC000586909663 EF Annotated Anodyne O=C(O)c1cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2cc1F ZINC000586909664 EF Annotated Anodyne Fc1c(Br)cc2nc(C[C@H]3COCCO3)[nH]c2c1F ZINC000586909702 EF Annotated Anodyne Fc1c(Br)cc2nc(C[C@@H]3COCCO3)[nH]c2c1F ZINC000586909708 EF Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(C[C@@H]3COCCO3)[nH]c2cn1 ZINC000586909940 EF Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(C[C@H]3COCCO3)[nH]c2cn1 ZINC000586909942 EF Annotated Anodyne Oc1nncc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586910098 EF Annotated Mild Oc1nncc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586910099 EF Annotated Mild Cc1c(Br)cc2nc(C[C@H]3COCCO3)[nH]c2c1C ZINC000586910863 EF Annotated Anodyne Cc1c(Br)cc2nc(C[C@@H]3COCCO3)[nH]c2c1C ZINC000586910871 EF Annotated Anodyne Oc1cccc2c1OCC(c1nc3c(S)nc(S)nc3[nH]1)=C2 ZINC000586910931 EF Annotated Anodyne C(#CCO[C@@H]1CCCCO1)CCCCCc1nc2ncc[nH]c-2n1 ZINC000586911077 EF Annotated Mild C(#CCO[C@H]1CCCCO1)CCCCCc1nc2ncc[nH]c-2n1 ZINC000586911080 EF Annotated Mild Clc1ncc(I)c2nc([C@@H]3CCOC3)[nH]c12 ZINC000586911190 EF Annotated Anodyne Clc1ncc(I)c2nc([C@H]3CCOC3)[nH]c12 ZINC000586911197 EF Annotated Anodyne CC1(C)COc2c(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)cccc21 ZINC000586911289 EF Annotated Anodyne CC1(C)COc2c(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cccc21 ZINC000586911384 EF Annotated Anodyne Clc1cc(Br)c2[nH]c(C[C@@H]3COCCO3)nc2c1 ZINC000586911431 EF Annotated Anodyne Clc1cc(Br)c2[nH]c(C[C@H]3COCCO3)nc2c1 ZINC000586911432 EF Annotated Anodyne COc1cncc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 ZINC000586911829 EF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3CCOC3)nc2c1 ZINC000586912093 EF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H]3CCOC3)nc2c1 ZINC000586912095 EF Annotated Anodyne O[C@@H](c1nc2cc(F)cc(Br)c2[nH]1)C1CCOCC1 ZINC000586912242 EF Annotated Anodyne O[C@H](c1nc2cc(F)cc(Br)c2[nH]1)C1CCOCC1 ZINC000586912251 EF Annotated Anodyne O[C@@H](c1nc2cc(Br)cc(F)c2[nH]1)C1CCOCC1 ZINC000586912257 EF Annotated Anodyne O[C@H](c1nc2cc(Br)cc(F)c2[nH]1)C1CCOCC1 ZINC000586912259 EF Annotated Anodyne OC1(c2nc3cc(Br)c(F)c(F)c3[nH]2)CCOCC1 ZINC000586912341 EF Annotated Anodyne O[C@@H](c1nc2cc(Br)c(F)cc2[nH]1)C1CCOCC1 ZINC000586912389 EF Annotated Anodyne O[C@H](c1nc2cc(Br)c(F)cc2[nH]1)C1CCOCC1 ZINC000586912390 EF Annotated Anodyne Clc1ncc(I)c2nc(C3=COCC3)[nH]c12 ZINC000586912540 EF Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586912615 EF Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586912628 EF Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H](O)C4CCOCC4)[nH]c3c2)cc1N ZINC000586912723 EF Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H](O)C4CCOCC4)[nH]c3c2)cc1N ZINC000586912735 EF Annotated Anodyne OC1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CCOCC1 ZINC000586912912 EF Annotated Anodyne Brc1cnc(Br)c2[nH]c([C@@H]3CCOC3)nc12 ZINC000586913002 EF Annotated Anodyne Brc1cnc(Br)c2[nH]c([C@H]3CCOC3)nc12 ZINC000586913007 EF Annotated Anodyne COc1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2n1 ZINC000586913116 EF Annotated Anodyne Nc1ccc(Oc2ccc3nc(C4(O)CCOCC4)[nH]c3c2)cc1 ZINC000586913124 EF Annotated Clean N#Cc1cc2nc([C@H](O)C3CCOCC3)[nH]c2cc1C(F)(F)F ZINC000586913126 EF Annotated Mild N#Cc1cc2nc([C@@H](O)C3CCOCC3)[nH]c2cc1C(F)(F)F ZINC000586913129 EF Annotated Mild OC1(c2nc3cc(Br)cc(Cl)c3[nH]2)CCOCC1 ZINC000586913135 EF Annotated Anodyne COc1nccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 ZINC000586913483 EF Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@H](O)C3CCOCC3)nc2c1 ZINC000586913545 EF Annotated Mild N#Cc1cc(Br)c2[nH]c([C@@H](O)C3CCOCC3)nc2c1 ZINC000586913547 EF Annotated Mild Oc1ccc(C2(c3nc4nc(Cl)c[nH]c-4n3)CCOCC2)cc1 ZINC000586913658 EF Annotated Anodyne O[C@H](c1nc2c(Cl)c(Br)cnc2[nH]1)C1CCOCC1 ZINC000586913806 EF Annotated Anodyne O[C@@H](c1nc2c(Cl)c(Br)cnc2[nH]1)C1CCOCC1 ZINC000586913807 EF Annotated Anodyne OC1(c2nc3cc(Cl)cc(Br)c3[nH]2)CCOCC1 ZINC000586913819 EF Annotated Anodyne O[C@@H](c1nc2ccc(F)c(Br)c2[nH]1)C1CCOCC1 ZINC000586913830 EF Annotated Anodyne O[C@H](c1nc2ccc(F)c(Br)c2[nH]1)C1CCOCC1 ZINC000586913831 EF Annotated Anodyne O=[N+]([O-])c1cncc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 ZINC000586913834 EF Annotated Bother Cc1c(Br)cc2nc(C3(O)CCOCC3)[nH]c2c1C ZINC000586913854 EF Annotated Anodyne COc1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cn1 ZINC000586913895 EF Annotated Anodyne OCCc1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 ZINC000586913918 EF Annotated Anodyne Oc1ccc(C2(c3nc4c(Cl)ncnc4[nH]3)CCOCC2)cc1 ZINC000586913927 EF Annotated Anodyne Oc1ccc(C2(c3nc4cnc(Cl)[nH]c-4n3)CCOCC2)cc1 ZINC000586913989 EF Annotated Anodyne O[C@H](c1nc2c(Br)cnc(Cl)c2[nH]1)C1CCOCC1 ZINC000586914245 EF Annotated Anodyne O[C@@H](c1nc2c(Br)cnc(Cl)c2[nH]1)C1CCOCC1 ZINC000586914248 EF Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(C3(c4ccc(O)cc4)CCOCC3)nc2c1 ZINC000586914259 EF Annotated Bother O[C@@H](c1nc2ccc(Br)c(F)c2[nH]1)C1CCOCC1 ZINC000586914277 EF Annotated Anodyne O[C@H](c1nc2ccc(Br)c(F)c2[nH]1)C1CCOCC1 ZINC000586914279 EF Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cnnc(O)c3[nH]2)c1 ZINC000586914438 EF Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586914876 EF Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586914878 EF Annotated Anodyne CC[C@H]1OCCC[C@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586914879 EF Annotated Anodyne CC[C@H]1OCCC[C@@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586914880 EF Annotated Anodyne CC[C@H]1OCCC[C@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000586914918 EF Annotated Anodyne CC[C@H]1OCCC[C@@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000586914919 EF Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000586914920 EF Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000586914921 EF Annotated Anodyne O=S(=O)(c1ccc2nc(C3CC4(COC4)C3)[nH]c2c1)C(F)(F)F ZINC000586915821 EF Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(N)c(N)cc2[nH]1 ZINC000586916192 EF Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(N)c(N)cc2[nH]1 ZINC000586916195 EF Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(N)c(N)cc2[nH]1 ZINC000586916197 EF Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(N)c(N)cc2[nH]1 ZINC000586916198 EF Annotated Anodyne O=c1ccc2cc(-c3nc4nc(Br)c[nH]c-4n3)ccc2o1 ZINC000586916608 EF Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(C3CC4(COC4)C3)nc-2[nH]1 ZINC000586916789 EF Annotated Anodyne O=C(O)c1cc(Br)cc2nc(C3CC4(COC4)C3)[nH]c12 ZINC000586916901 EF Annotated Anodyne C[C@@H]1O[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586917284 EF Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4C[C@@H](C)CCO4)[nH]c3c2)NNC(=O)C1 ZINC000586917309 EF Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1OC ZINC000586917421 EF Annotated Anodyne C[C@@H]1O[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586917620 EF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3O[C@H]3C)nc2c1 ZINC000586918174 EF Annotated Anodyne Brc1c[nH]c2nc([C@@H]3COc4ccccc4O3)nc-2n1 ZINC000586918205 EF Annotated Anodyne O=[N+]([O-])c1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2cc1[N+](=O)[O-] ZINC000586918494 EF Annotated Bother O=c1ccc2cc(-c3nc4c(S)nc(S)nc4[nH]3)ccc2o1 ZINC000586918750 EF Annotated Anodyne O=C1COc2cc3nc(-c4ccc5oc(=O)ccc5c4)[nH]c3cc2N1 ZINC000586919090 EF Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cccc(F)c3[nH]2)cc1 ZINC000586919564 EF Annotated Bother N[C@@H](CP(=O)(O)O)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586919759 EF Annotated Anodyne Cc1cc(F)c2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000586919808 EF Annotated Bother Cc1c(F)ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000586919864 EF Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3ccc(F)c(F)c3[nH]2)cc1 ZINC000586920153 EF Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc(C)cc(F)c3[nH]2)cc1 ZINC000586920235 EF Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cncc(Cl)c3[nH]2)cc1 ZINC000586920289 EF Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cccc(OC)c3[nH]2)cc1 ZINC000586920318 EF Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc(OC)c(C)cc3[nH]2)cc1 ZINC000586920320 EF Annotated Anodyne Cc1cccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000586920447 EF Annotated Bother Cc1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000586920450 EF Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3c(C)nc(C)cc3[nH]2)cc1 ZINC000586920593 EF Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000586920653 EF Annotated Anodyne Cc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1F ZINC000586920726 EF Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3ccc(F)c(C)c3[nH]2)cc1 ZINC000586921019 EF Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3c(Cl)ccnc3[nH]2)cc1 ZINC000586921062 EF Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3ccc(C(C)=O)cc3[nH]2)cc1 ZINC000586921064 EF Annotated Anodyne O=S(=O)(CCc1nc2cc(F)cnc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586921091 EF Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3ccnc(Cl)c3[nH]2)cc1 ZINC000586921099 EF Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3ccc(Cl)nc3[nH]2)cc1 ZINC000586921141 EF Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc(Cl)ncc3[nH]2)cc1 ZINC000586921164 EF Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586921445 EF Annotated Mild Cc1cncc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 ZINC000586921557 EF Annotated Anodyne Cc1cnc2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc2c1 ZINC000586921591 EF Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3cccc(OC)c3[nH]2)c1 ZINC000586921656 EF Annotated Anodyne O=S(=O)(CCc1nc2cccc(O)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586922023 EF Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3c(C)nc(C)cc3[nH]2)c1 ZINC000586922149 EF Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3ccnc(Cl)c3[nH]2)c1 ZINC000586922333 EF Annotated Anodyne Cc1ccnc2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc12 ZINC000586922461 EF Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586922492 EF Annotated Bother CCS(=O)(=O)c1ccccc1-c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586922542 EF Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3cccc(C#N)c3[nH]2)c1 ZINC000586922595 EF Annotated Mild O=S(=O)(CCc1nc2ccc(O)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586922630 EF Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2cccc(C(=O)OC)c2[nH]1 ZINC000586923026 EF Annotated Anodyne Cc1nccc2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc12 ZINC000586923061 EF Annotated Anodyne Cc1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2n1 ZINC000586923095 EF Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc3ccccc3cc2[nH]1 ZINC000586923219 EF Annotated Anodyne CS(=O)(=O)/C=C\c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586923370 EF Annotated Anodyne CS(=O)(=O)/C=C/c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586923371 EF Annotated Anodyne CS(=O)(=O)/C=C\c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586923589 EF Annotated Anodyne CS(=O)(=O)/C=C/c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586923590 EF Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000586923591 EF Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000586923854 EF Annotated Anodyne CS(=O)(=O)/C=C\c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586923858 EF Annotated Anodyne CS(=O)(=O)/C=C/c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586923859 EF Annotated Anodyne Cc1c(Br)cc2nc(/C=C\S(C)(=O)=O)[nH]c2c1C ZINC000586923872 EF Annotated Anodyne Cc1c(Br)cc2nc(/C=C/S(C)(=O)=O)[nH]c2c1C ZINC000586923873 EF Annotated Anodyne O=C(O)c1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1F ZINC000586923907 EF Annotated Anodyne O=C(O)c1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1F ZINC000586923908 EF Annotated Anodyne COC(=O)c1cccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586923934 EF Annotated Anodyne COC(=O)c1cccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586923935 EF Annotated Anodyne O=S(=O)(Cc1nc2cc(C(F)(F)F)cnc2[nH]1)C1CCCC1 ZINC000586923936 EF Annotated Anodyne O=[N+]([O-])c1cc2nc(CS(=O)(=O)C3CCCC3)[nH]c2cc1Cl ZINC000586923958 EF Annotated Bother O=S(=O)(Cc1nc2cc(Br)cnc2[nH]1)C1CCCC1 ZINC000586924029 EF Annotated Anodyne O=S(=O)(Cc1nc2cc(C(F)(F)F)ncc2[nH]1)C1CCCC1 ZINC000586924052 EF Annotated Anodyne O=C(O)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586924093 EF Annotated Anodyne O=C(O)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586924094 EF Annotated Anodyne O=S(=O)(Cc1nc2ccnc(Br)c2[nH]1)C1CCCC1 ZINC000586924095 EF Annotated Anodyne O=S(=O)(Cc1nc2ccc(Br)nc2[nH]1)C1CCCC1 ZINC000586924131 EF Annotated Anodyne N#Cc1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1C#N ZINC000586924148 EF Annotated Mild N#Cc1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1C#N ZINC000586924149 EF Annotated Mild O=S(=O)(Cc1nc2cc3c(cc2[nH]1)OCCCO3)C1CCCC1 ZINC000586924204 EF Annotated Anodyne O=C(O)c1cc(F)cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586924228 EF Annotated Anodyne O=C(O)c1cc(F)cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586924229 EF Annotated Anodyne O=[N+]([O-])c1cccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586924249 EF Annotated Bother O=[N+]([O-])c1cccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586924250 EF Annotated Bother O=S(=O)(/C=C/c1nc2cc3c(cc2[nH]1)OCCO3)c1ccccc1 ZINC000586924396 EF Annotated Anodyne O=S(=O)(/C=C\c1nc2cc3c(cc2[nH]1)OCCO3)c1ccccc1 ZINC000586924397 EF Annotated Anodyne N#Cc1nc(Cl)cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586924477 EF Annotated Mild N#Cc1nc(Cl)cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586924480 EF Annotated Mild O=S(=O)(Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)C1CCCC1 ZINC000586924496 EF Annotated Anodyne O=S(=O)(Cc1nc2cc(Br)ncc2[nH]1)C1CCCC1 ZINC000586924545 EF Annotated Anodyne O=S(=O)(/C=C\c1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccccc1 ZINC000586924686 EF Annotated Anodyne O=S(=O)(/C=C/c1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccccc1 ZINC000586924687 EF Annotated Anodyne O=S(=O)(Cc1nc2cncc(Br)c2[nH]1)C1CCCC1 ZINC000586924709 EF Annotated Anodyne O=S(=O)(/C=C\c1nc2cc3c(cc2[nH]1)OCO3)c1ccccc1 ZINC000586924728 EF Annotated Anodyne O=S(=O)(/C=C/c1nc2cc3c(cc2[nH]1)OCO3)c1ccccc1 ZINC000586924729 EF Annotated Anodyne O=C(O)c1cccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586924758 EF Annotated Anodyne O=C(O)c1cccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586924760 EF Annotated Anodyne O=S(=O)(/C=C\c1nc2ccc(CCO)cc2[nH]1)c1ccccc1 ZINC000586925099 EF Annotated Anodyne O=S(=O)(/C=C/c1nc2ccc(CCO)cc2[nH]1)c1ccccc1 ZINC000586925100 EF Annotated Anodyne O=S(=O)(Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C1CCCC1 ZINC000586925104 EF Annotated Anodyne O=S(=O)(Cc1nc2c(Br)ccnc2[nH]1)C1CCCC1 ZINC000586925157 EF Annotated Anodyne N[C@@H](N=O)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586925181 EF Annotated Anodyne N[C@H](N=O)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586925182 EF Annotated Anodyne N[C@@H](N=O)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586925183 EF Annotated Anodyne N[C@H](N=O)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586925184 EF Annotated Anodyne O=S(=O)(Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)C1CCCC1 ZINC000586925208 EF Annotated Anodyne O=[N+]([O-])c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586925427 EF Annotated Bother O=[N+]([O-])c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586925429 EF Annotated Bother COC(=O)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586925434 EF Annotated Anodyne COC(=O)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586925435 EF Annotated Anodyne CS(=O)(=O)/C=C/c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586925980 EF Annotated Clean CS(=O)(=O)/C=C\c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586925981 EF Annotated Clean O=S(=O)(Cl)c1cc(-c2nc3cncnc3[nH]2)ccc1Cl ZINC000586926015 EF Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3ncc[nH]c-3n2)ccc1Cl ZINC000586926021 EF Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3ccnc(O)c3[nH]2)ccc1Cl ZINC000586926522 EF Annotated Unstable Nc1ccnc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc12 ZINC000586926678 EF Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3ncc[nH]c-3n2)cc1Cl ZINC000586926772 EF Annotated Unstable CCc1ccc(-c2nc3c(N)ccnc3[nH]2)cc1S(=O)(=O)Cl ZINC000586926931 EF Annotated Unstable COc1nccc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc12 ZINC000586927205 EF Annotated Unstable N=c1[nH]ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12 ZINC000586927341 EF Annotated Unstable CCc1ccc(-c2nc3ccnc(O)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927533 EF Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3ccnc(O)c3[nH]2)cc1Cl ZINC000586927537 EF Annotated Unstable Cc1cc(-c2nc3nc(Cl)ncc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586927562 EF Annotated Unstable CS(=O)(=O)/C=C\c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586927746 EF Annotated Anodyne CS(=O)(=O)/C=C/c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586927750 EF Annotated Anodyne CCc1ccc(-c2nc3cc[nH]c(=N)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927889 EF Annotated Unstable CCc1ccc(-c2nc3cc(=N)[nH]cc3[nH]2)cc1S(=O)(=O)Cl ZINC000586927967 EF Annotated Unstable N=c1[nH]ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12 ZINC000586928028 EF Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3cncnc3[nH]2)cc1Cl ZINC000586928092 EF Annotated Unstable Nc1ccnc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc12 ZINC000586928117 EF Annotated Unstable COc1cc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2cn1 ZINC000586928283 EF Annotated Unstable Cc1cc(-c2nc3ncnc(Cl)c3[nH]2)ccc1S(=O)(=O)Cl ZINC000586928298 EF Annotated Unstable Cc1cc(-c2nc3nc(Cl)c[nH]c-3n2)ccc1S(=O)(=O)Cl ZINC000586928323 EF Annotated Unstable COc1ccc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2n1 ZINC000586928351 EF Annotated Unstable COc1cncc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc12 ZINC000586928387 EF Annotated Unstable Cc1ccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 ZINC000586928505 EF Annotated Mild Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cncnc3[nH]2)c1Cl ZINC000586928544 EF Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cnncc3[nH]2)c1Cl ZINC000586928786 EF Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ncc[nH]c-3n2)c1Cl ZINC000586929117 EF Annotated Unstable CSc1ccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2c1 ZINC000586929122 EF Annotated Anodyne Cc1cc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2cc1F ZINC000586929300 EF Annotated Anodyne Cc1cccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c12 ZINC000586929333 EF Annotated Mild NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)cc(Cl)cc3[nH]2)c1 ZINC000586929340 EF Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3c(F)cc(Cl)cc3[nH]2)cc1 ZINC000586929440 EF Annotated Anodyne C=CCc1cccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c12 ZINC000586929603 EF Annotated Mild NS(=O)(=O)Cc1ccc(-c2nc3c(cnc4ccccc43)[nH]2)cc1 ZINC000586929824 EF Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3c(ccc4ncccc43)[nH]2)cc1 ZINC000586929916 EF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(C)c(C)c2[nH]1 ZINC000586929917 EF Annotated Anodyne Cc1cc(Cl)cc2[nH]c(-c3ccc(CS(N)(=O)=O)cc3)nc12 ZINC000586929942 EF Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(C)nccc3[nH]2)c1 ZINC000586929948 EF Annotated Anodyne Cc1cc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2cc1C ZINC000586929957 EF Annotated Anodyne Cc1cc(F)c2[nH]c(COc3ccc(S(N)(=O)=O)cc3C)nc2c1 ZINC000586930113 EF Annotated Anodyne CCc1ccc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2c1 ZINC000586930309 EF Annotated Anodyne CSc1ccc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2c1 ZINC000586930325 EF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c4c(ccc3[nH]2)CCCC4)o1 ZINC000586930329 EF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(cnc4ccccc43)[nH]2)o1 ZINC000586930373 EF Annotated Anodyne C=CCc1cccc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc12 ZINC000586930375 EF Annotated Mild CN(C)S(=O)(=O)c1ccc(-c2nc3c(ccc4ncccc43)[nH]2)o1 ZINC000586930403 EF Annotated Anodyne C=CCc1cccc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c12 ZINC000586930483 EF Annotated Mild Cc1cc(C)c2[nH]c(COc3ccc(S(N)(=O)=O)cc3C)nc2c1 ZINC000586930516 EF Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(C)cnc3[nH]2)c1 ZINC000586930547 EF Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3c4c(ccc3[nH]2)CCCC4)cc1 ZINC000586930567 EF Annotated Anodyne Cc1c(Cl)ccc2[nH]c(-c3ccc(CS(N)(=O)=O)cc3)nc12 ZINC000586930627 EF Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1 ZINC000586930755 EF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(F)c(C)c2[nH]1 ZINC000586930934 EF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(C)ccc(C)c2[nH]1 ZINC000586930947 EF Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cncc(C)c3[nH]2)c1 ZINC000586930960 EF Annotated Anodyne CC(C)(C)c1ccc2[nH]c(-c3ccc(CS(N)(=O)=O)cc3)nc2n1 ZINC000586930981 EF Annotated Anodyne CC(C)Oc1ccc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2c1 ZINC000586931170 EF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3nc(C(C)(C)C)ccc3[nH]2)o1 ZINC000586931255 EF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc(F)c(Cl)cc3[nH]2)o1 ZINC000586931441 EF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(F)cc(Cl)cc3[nH]2)o1 ZINC000586931531 EF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(Cl)cccc3[nH]2)o1 ZINC000586931692 EF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)o1 ZINC000586931838 EF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cccc(F)c3[nH]2)cc1 ZINC000586932211 EF Annotated Anodyne Cc1cccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c12 ZINC000586932253 EF Annotated Anodyne Cc1ccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2c1 ZINC000586932266 EF Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cccc(O)c2[nH]1)C(C)C ZINC000586932415 EF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cccc(O)c2[nH]1)C(C)C ZINC000586932416 EF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cccc(OC)c2[nH]1)C(C)C ZINC000586932513 EF Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cccc(OC)c2[nH]1)C(C)C ZINC000586932514 EF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2c(C)nc(C)cc2[nH]1)C(C)C ZINC000586932589 EF Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2c(C)nc(C)cc2[nH]1)C(C)C ZINC000586932592 EF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(O)cc2[nH]1)C(C)C ZINC000586932840 EF Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(O)cc2[nH]1)C(C)C ZINC000586932841 EF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cccc(C#N)c2[nH]1)C(C)C ZINC000586932911 EF Annotated Mild CCCCS(=O)(=O)N[C@@H](c1nc2cccc(C#N)c2[nH]1)C(C)C ZINC000586932913 EF Annotated Mild CCCCS(=O)(=O)N[C@H](c1nc2ccc(C#N)cc2[nH]1)C(C)C ZINC000586933446 EF Annotated Mild CCCCS(=O)(=O)N[C@@H](c1nc2ccc(C#N)cc2[nH]1)C(C)C ZINC000586933447 EF Annotated Mild CCCCS(=O)(=O)N[C@@H](c1nc2cc(F)cnc2[nH]1)C(C)C ZINC000586933458 EF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(F)cnc2[nH]1)C(C)C ZINC000586933459 EF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc3cn[nH]c3cc2[nH]1)C(C)C ZINC000586933512 EF Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc3cn[nH]c3cc2[nH]1)C(C)C ZINC000586933513 EF Annotated Anodyne Cc1ccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2c1C ZINC000586934891 EF Annotated Anodyne C=CCc1cccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc12 ZINC000586935077 EF Annotated Mild Cc1cc(F)c2nc(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)[nH]c2c1 ZINC000586935420 EF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(F)cc(F)cc3[nH]2)c1 ZINC000586935483 EF Annotated Anodyne Cc1c(F)ccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc12 ZINC000586935641 EF Annotated Anodyne CCc1ccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2c1 ZINC000586935667 EF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(F)c(F)ccc3[nH]2)c1 ZINC000586935957 EF Annotated Anodyne Cc1cc2nc(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)[nH]c2cc1C ZINC000586936262 EF Annotated Anodyne COc1cc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2cc1C ZINC000586936488 EF Annotated Anodyne Cc1cc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2cc1F ZINC000586936614 EF Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc12 ZINC000586936676 EF Annotated Anodyne Cc1cc(C)c2nc(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)[nH]c2c1 ZINC000586936705 EF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000586936798 EF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000586937402 EF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)cccc3[nH]2)c1 ZINC000586939003 EF Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cncc(C)c3[nH]2)cc1 ZINC000586940581 EF Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cncc(C)c3[nH]2)cc1 ZINC000586940582 EF Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccccc3[nH]2)cc1 ZINC000586940892 EF Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccccc3[nH]2)cc1 ZINC000586940893 EF Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(C)nc3[nH]2)cc1 ZINC000586940906 EF Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(C)nc3[nH]2)cc1 ZINC000586940907 EF Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc(O)c3[nH]2)cc1 ZINC000586940950 EF Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(O)c3[nH]2)cc1 ZINC000586940951 EF Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(C)ccnc3[nH]2)cc1 ZINC000586941178 EF Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(C)ccnc3[nH]2)cc1 ZINC000586941179 EF Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(C)nccc3[nH]2)cc1 ZINC000586941363 EF Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(C)nccc3[nH]2)cc1 ZINC000586941364 EF Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(O)cc3[nH]2)cc1 ZINC000586941447 EF Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(O)cc3[nH]2)cc1 ZINC000586941448 EF Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(C)cnc3[nH]2)cc1 ZINC000586941716 EF Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(C)cnc3[nH]2)cc1 ZINC000586941718 EF Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586942560 EF Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586943140 EF Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cccc(Cl)c2[nH]1 ZINC000586945159 EF Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(C)ccc(C)c2[nH]1 ZINC000586945221 EF Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cc(CNS(C)(=O)=O)oc3C)nc2c1 ZINC000586945255 EF Annotated Anodyne Cc1ccc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2c1C ZINC000586945274 EF Annotated Anodyne C=CCc1cccc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c12 ZINC000586945465 EF Annotated Mild Cc1cc(C)c2[nH]c(-c3cc(CNS(C)(=O)=O)oc3C)nc2c1 ZINC000586945569 EF Annotated Anodyne Cc1cc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2cc1C ZINC000586945571 EF Annotated Anodyne Cc1cc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2cc1F ZINC000586945695 EF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c(C)ccc(C)c3[nH]2)cc1 ZINC000586945798 EF Annotated Anodyne CCc1ccc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2c1 ZINC000586945803 EF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(F)c(C)c3[nH]2)cc1 ZINC000586945871 EF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cccc(C)c3[nH]2)cc1 ZINC000586946000 EF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000586946329 EF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(C)c(C)c3[nH]2)cc1 ZINC000586946604 EF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cccc(Cl)c3[nH]2)cc1 ZINC000586946655 EF Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(C(C)(C)C)ccc3[nH]2)n(C)c1 ZINC000586946694 EF Annotated Anodyne CCc1ccc2nc(CCc3ccc(S(=O)(=O)NC)cc3)[nH]c2c1 ZINC000586946820 EF Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(C(C)(C)C)cccc3[nH]2)n(C)c1 ZINC000586947341 EF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(C)c(F)cc3[nH]2)cc1 ZINC000586947477 EF Annotated Anodyne CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(F)c(F)c3[nH]2)c1 ZINC000586948092 EF Annotated Clean Cc1cc(C)c2[nH]c(-c3cc(NS(C)(=O)=O)ccc3O)nc2c1 ZINC000586948234 EF Annotated Clean Cc1ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2c1C ZINC000586948339 EF Annotated Clean Cc1cc2[nH]c(Cc3ccccc3NS(C)(=O)=O)nc2c(C)n1 ZINC000586948411 EF Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cc(NS(C)(=O)=O)ccc3O)nc2c1 ZINC000586948466 EF Annotated Clean COc1cccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c12 ZINC000586948475 EF Annotated Anodyne CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(F)cc(F)c3[nH]2)c1 ZINC000586948531 EF Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3cccc(Cl)c3[nH]2)c1 ZINC000586948629 EF Annotated Clean Cc1cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2cc1F ZINC000586949605 EF Annotated Clean Cc1c(F)ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c12 ZINC000586949703 EF Annotated Clean CS(=O)(=O)Nc1ccccc1Cc1nc2c(Cl)ccnc2[nH]1 ZINC000586949859 EF Annotated Anodyne Cc1c(F)ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c12 ZINC000586949869 EF Annotated Anodyne Cc1cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2cc1F ZINC000586949903 EF Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(F)c(F)c2[nH]1 ZINC000586949945 EF Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Cl)cnc2[nH]1 ZINC000586950084 EF Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Cl)ncc2[nH]1 ZINC000586950091 EF Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(Cl)nc2[nH]1 ZINC000586950161 EF Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cc(F)cc(F)c2[nH]1 ZINC000586950224 EF Annotated Anodyne COc1cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2cc1F ZINC000586950250 EF Annotated Anodyne Cc1cc(F)c2[nH]c(Cc3ccccc3NS(C)(=O)=O)nc2c1 ZINC000586950338 EF Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cncc(Cl)c2[nH]1 ZINC000586950363 EF Annotated Anodyne CC(=O)c1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1 ZINC000586950539 EF Annotated Anodyne COc1cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2cc1C ZINC000586950599 EF Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2ccnc(Cl)c2[nH]1 ZINC000586950618 EF Annotated Anodyne Cc1cc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2cc1C ZINC000586950776 EF Annotated Anodyne COc1ccc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc2n1 ZINC000586950823 EF Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cccc(F)c2[nH]1 ZINC000586950881 EF Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(F)c(C)c2[nH]1 ZINC000586951194 EF Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(F)c(F)c2[nH]1 ZINC000586951444 EF Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(C)ccc(C)c2[nH]1 ZINC000586951498 EF Annotated Anodyne Cc1cc(C)c2[nH]c(-c3sc(NS(C)(=O)=O)nc3C)nc2c1 ZINC000586951616 EF Annotated Anodyne Cc1cc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2cc1F ZINC000586951621 EF Annotated Anodyne Cc1cc(F)c2[nH]c(-c3sc(NS(C)(=O)=O)nc3C)nc2c1 ZINC000586951651 EF Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(F)cc(F)c2[nH]1 ZINC000586951752 EF Annotated Anodyne Cc1ccc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2c1C ZINC000586951781 EF Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(F)c(F)cc2[nH]1 ZINC000586951787 EF Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc(F)c(C)c3[nH]2)CC1 ZINC000586951916 EF Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccnc(Cl)c3[nH]2)CC1 ZINC000586951940 EF Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccnc(Cl)c3[nH]2)CC1 ZINC000586952037 EF Annotated Anodyne Cc1cc2[nH]c(CS(=O)(=O)NC3CCC(C)CC3)nc2c(C)n1 ZINC000586952064 EF Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(F)cc(F)c3[nH]2)CC1 ZINC000586952151 EF Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(Cl)ncc3[nH]2)CC1 ZINC000586952269 EF Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(C)cc(F)c3[nH]2)CC1 ZINC000586952335 EF Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc(F)c(F)c3[nH]2)CC1 ZINC000586952360 EF Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(Cl)cnc3[nH]2)CC1 ZINC000586952446 EF Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc(F)cc3[nH]2)CC1 ZINC000586952453 EF Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(Cl)ncc3[nH]2)CC1 ZINC000586952477 EF Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cncc(Cl)c3[nH]2)CC1 ZINC000586952533 EF Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(F)c(F)cc3[nH]2)CC1 ZINC000586952829 EF Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(F)cc(F)c3[nH]2)CC1 ZINC000586952870 EF Annotated Anodyne COc1cccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c12 ZINC000586952884 EF Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(C)c(F)cc3[nH]2)CC1 ZINC000586953162 EF Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cncc(Cl)c3[nH]2)CC1 ZINC000586953163 EF Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 ZINC000586953172 EF Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc(C(C)=O)cc3[nH]2)CC1 ZINC000586953175 EF Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(Cl)cnc3[nH]2)CC1 ZINC000586953255 EF Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3c(Cl)ccnc3[nH]2)CC1 ZINC000586953327 EF Annotated Anodyne CC(=O)c1ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2c1 ZINC000586953352 EF Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc(Cl)nc3[nH]2)CC1 ZINC000586953613 EF Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cccc(F)c3[nH]2)CC1 ZINC000586953616 EF Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc(F)c(F)c3[nH]2)CC1 ZINC000586953777 EF Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cnccc3[nH]2)c1)N1CCC1 ZINC000586954608 EF Annotated Anodyne Cc1cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1C ZINC000586957577 EF Annotated Anodyne Cc1cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1C ZINC000586957578 EF Annotated Anodyne CCc1ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 ZINC000586957875 EF Annotated Anodyne CCc1ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 ZINC000586957877 EF Annotated Anodyne Cc1c(Br)cnc2[nH]c(C[S@](=O)CC3CC3)nc12 ZINC000586957930 EF Annotated Anodyne Cc1c(Br)cnc2[nH]c(C[S@@](=O)CC3CC3)nc12 ZINC000586957934 EF Annotated Anodyne CC(C)(SCc1nc2cc(-n3cccn3)c(F)cc2[nH]1)C(=O)O ZINC000586957982 EF Annotated Anodyne CC(C)(SCC(=O)O)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586958033 EF Annotated Anodyne CCOC(=O)Cc1ccc2nc(C(C)(C)SCC(=O)O)[nH]c2c1 ZINC000586958282 EF Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc12 ZINC000586958352 EF Annotated Anodyne Cc1ccc(C)c2[nH]c([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc12 ZINC000586958353 EF Annotated Anodyne CC(C)(SCc1nc2ccnc(Br)c2[nH]1)C(=O)O ZINC000586958435 EF Annotated Anodyne O=[S@](Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)CC1CC1 ZINC000586958458 EF Annotated Anodyne O=[S@@](Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)CC1CC1 ZINC000586958461 EF Annotated Anodyne CCOC(=O)Cc1ccc2nc(CSC(C)(C)C(=O)O)[nH]c2c1 ZINC000586958887 EF Annotated Anodyne Cc1nc2[nH]c(C[S@](=O)CC3CC3)nc2cc1Br ZINC000586958960 EF Annotated Anodyne Cc1nc2[nH]c(C[S@@](=O)CC3CC3)nc2cc1Br ZINC000586958961 EF Annotated Anodyne Cc1ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1C ZINC000586959027 EF Annotated Anodyne Cc1ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1C ZINC000586959028 EF Annotated Anodyne CC(C)(SCc1nc2ccc(Br)nc2[nH]1)C(=O)O ZINC000586959162 EF Annotated Anodyne O=[S@@](Cc1nc2ccc(Br)c(O)c2[nH]1)CC1CC1 ZINC000586959207 EF Annotated Anodyne O=[S@](Cc1nc2ccc(Br)c(O)c2[nH]1)CC1CC1 ZINC000586959209 EF Annotated Anodyne CC(C)(SCc1nc2cncc(Br)c2[nH]1)C(=O)O ZINC000586959277 EF Annotated Anodyne CC(C)(SCC(=O)O)c1nc2ccnc(Br)c2[nH]1 ZINC000586959320 EF Annotated Anodyne N#Cc1cc(Br)c2[nH]c(C[S@@](=O)CC3CC3)nc2c1 ZINC000586959370 EF Annotated Mild N#Cc1cc(Br)c2[nH]c(C[S@](=O)CC3CC3)nc2c1 ZINC000586959372 EF Annotated Mild CC(C)(SCC(=O)O)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586959454 EF Annotated Anodyne O=[S@@](Cc1nc2c(F)cnc(Br)c2[nH]1)CC1CC1 ZINC000586959754 EF Annotated Anodyne O=[S@](Cc1nc2c(F)cnc(Br)c2[nH]1)CC1CC1 ZINC000586959755 EF Annotated Anodyne Cc1cc(C)c2[nH]c([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2c1 ZINC000586960018 EF Annotated Anodyne Cc1cc(C)c2[nH]c([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2c1 ZINC000586960019 EF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C[S@@](=O)CC3CC3)nc2c1 ZINC000586960074 EF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C[S@](=O)CC3CC3)nc2c1 ZINC000586960079 EF Annotated Anodyne CC(C)(SCC(=O)O)c1nc2cc(Br)ncc2[nH]1 ZINC000586960159 EF Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](C)Sc3nc(N)cc(O)n3)nc2c1 ZINC000586960358 EF Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](C)Sc3nc(N)cc(O)n3)nc2c1 ZINC000586960360 EF Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586960443 EF Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586960449 EF Annotated Anodyne CC(=O)c1ccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 ZINC000586960451 EF Annotated Anodyne CC(=O)c1ccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 ZINC000586960457 EF Annotated Anodyne CC(C)(SCC(=O)O)c1nc2ccc(Br)nc2[nH]1 ZINC000586960584 EF Annotated Anodyne CC(C)(SCc1nc2c(F)cnc(Br)c2[nH]1)C(=O)O ZINC000586960616 EF Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586960895 EF Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586960896 EF Annotated Anodyne CC(C)(SCC(=O)O)c1nc2c(Br)ccnc2[nH]1 ZINC000586960916 EF Annotated Anodyne CC(C)(SCC(=O)O)c1nc2cncc(Br)c2[nH]1 ZINC000586960963 EF Annotated Anodyne CC(C)(SCc1nc2c(Br)ccnc2[nH]1)C(=O)O ZINC000586961000 EF Annotated Anodyne CC(C)(SCc1nc2cc(Br)ncc2[nH]1)C(=O)O ZINC000586961053 EF Annotated Anodyne COc1cc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1OC ZINC000586961297 EF Annotated Anodyne COc1cc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1OC ZINC000586961299 EF Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586961533 EF Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586961541 EF Annotated Anodyne Cc1cc2[nH]c([C@@H](C)Sc3nc(N)cc(O)n3)nc2cc1[N+](=O)[O-] ZINC000586961827 EF Annotated Bother Cc1cc2[nH]c([C@H](C)Sc3nc(N)cc(O)n3)nc2cc1[N+](=O)[O-] ZINC000586961830 EF Annotated Bother COc1cc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1F ZINC000586962027 EF Annotated Anodyne COc1cc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1F ZINC000586962029 EF Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H](C)Sc3nc(N)cc(O)n3)nc12 ZINC000586962425 EF Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H](C)Sc3nc(N)cc(O)n3)nc12 ZINC000586962426 EF Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586962434 EF Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586962438 EF Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(N)c(N)cc2[nH]1 ZINC000586962459 EF Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(N)c(N)cc2[nH]1 ZINC000586962466 EF Annotated Anodyne COc1cc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1C ZINC000586963192 EF Annotated Anodyne COc1cc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1C ZINC000586963198 EF Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2nc(Br)c[nH]c-2n1 ZINC000586963246 EF Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2nc(Br)c[nH]c-2n1 ZINC000586963247 EF Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(N)=O)cc2[nH]1 ZINC000586963407 EF Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(N)=O)cc2[nH]1 ZINC000586963408 EF Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586963483 EF Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586963484 EF Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586963585 EF Annotated Bother CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586963586 EF Annotated Bother CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000586963845 EF Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000586963846 EF Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586964070 EF Annotated Bother CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586964071 EF Annotated Bother N#Cc1ccccc1SCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586964380 EF Annotated Mild N#Cc1ccccc1SCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586964386 EF Annotated Mild Cc1ccc(-c2nnc(SCc3nc4cncnc4[nH]3)n2C)cc1 ZINC000586965569 EF Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ncc[nH]c-4n3)n2C)cc1 ZINC000586965573 EF Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cnncc4[nH]3)n2C)cc1 ZINC000586965960 EF Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc4cn[nH]c4cc3[nH]2)n1 ZINC000586966173 EF Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc(Cl)cc(F)c3[nH]2)n1 ZINC000586966203 EF Annotated Anodyne CC(C)(C)c1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2n1 ZINC000586966210 EF Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc(Cl)c(Cl)nc3[nH]2)n1 ZINC000586966237 EF Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(CSc3nc(O)cc(O)n3)nc2c1 ZINC000586966250 EF Annotated Mild Oc1cc(O)nc(SCc2nc3c(Cl)cnc(Cl)c3[nH]2)n1 ZINC000586966303 EF Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc4c(cc3[nH]2)OCCO4)n1 ZINC000586966311 EF Annotated Anodyne Cc1ccc2c(ccc3nc(CSc4nc(O)cc(O)n4)[nH]c32)n1 ZINC000586966317 EF Annotated Anodyne COc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2n1 ZINC000586966471 EF Annotated Anodyne CCc1cc(O)nc(SCc2nc3cccc(C(=O)OC)c3[nH]2)n1 ZINC000586966484 EF Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc(Cl)nc(Cl)c3[nH]2)n1 ZINC000586966542 EF Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)n1 ZINC000586966582 EF Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc([C@H](N)N=O)cc3[nH]2)n1 ZINC000586966583 EF Annotated Anodyne COc1cc2nc(CSc3nc(O)cc(O)n3)[nH]c2cc1Cl ZINC000586966586 EF Annotated Anodyne COc1cncc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586966636 EF Annotated Anodyne N#Cc1nc(Cl)cc2nc(CSc3ncccc3C(=O)O)[nH]c12 ZINC000586966642 EF Annotated Mild Fc1cnc2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 ZINC000586966643 EF Annotated Anodyne Clc1c[nH]c2nc(CSc3nc(-c4cccnc4)no3)nc-2n1 ZINC000586966663 EF Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(Cl)nc(C#N)c3[nH]2)n1 ZINC000586966878 EF Annotated Mild CCc1cc(O)nc(SCc2nc3cccc([N+](=O)[O-])c3[nH]2)n1 ZINC000586966893 EF Annotated Bother N#Cc1nc(Cl)cc2[nH]c(-c3cccnc3SCC(=O)O)nc12 ZINC000586966921 EF Annotated Mild O=C(O)c1cccnc1SCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586966938 EF Annotated Bother OCc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 ZINC000586966944 EF Annotated Anodyne Oc1cc(O)nc(SCc2nc3ccc4c(c3[nH]2)CCCC4)n1 ZINC000586966961 EF Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc(Cl)c(F)c(F)c3[nH]2)n1 ZINC000586966975 EF Annotated Anodyne Oc1cc(O)nc(SCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)n1 ZINC000586966976 EF Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(OC)cc(OC)c3[nH]2)n1 ZINC000586966989 EF Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc4c(cc3[nH]2)OCO4)n1 ZINC000586966998 EF Annotated Anodyne Clc1ncc2nc(CSc3nc(-c4cccnc4)no3)nc-2[nH]1 ZINC000586967039 EF Annotated Anodyne Oc1cc(O)nc(SCc2nc3c(Cl)c(Cl)cnc3[nH]2)n1 ZINC000586967107 EF Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc(Cl)c(F)cc3[nH]2)n1 ZINC000586967127 EF Annotated Anodyne O=C(O)c1cc2nc(CSc3ncccc3C(=O)O)[nH]c2cc1F ZINC000586967204 EF Annotated Anodyne COc1nccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586967229 EF Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(C#N)c(C#N)cc3[nH]2)n1 ZINC000586967245 EF Annotated Mild CCc1cc(O)nc(SCc2nc3cc(C(=O)O)c(F)cc3[nH]2)n1 ZINC000586967297 EF Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(F)cc(C(=O)O)c3[nH]2)n1 ZINC000586967312 EF Annotated Anodyne Oc1cc(O)nc(SCc2nc3ccc4ncccc4c3[nH]2)n1 ZINC000586967334 EF Annotated Anodyne Oc1cc(O)nc(SCc2nc3cnc4ccccc4c3[nH]2)n1 ZINC000586967379 EF Annotated Anodyne CCc1cc(O)nc(SCc2nc3cccc(C(=O)O)c3[nH]2)n1 ZINC000586967383 EF Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)n1 ZINC000586967388 EF Annotated Bother CCc1cc(O)nc(SCc2nc3cc(OC)c(OC)cc3[nH]2)n1 ZINC000586967389 EF Annotated Anodyne COc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cn1 ZINC000586967426 EF Annotated Anodyne Clc1ncnc2[nH]c(CSc3nc(-c4cccnc4)no3)nc12 ZINC000586967483 EF Annotated Anodyne COC(=O)c1cccc2nc(CSc3ncccc3C(=O)O)[nH]c12 ZINC000586967528 EF Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586967583 EF Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc3c(cc2[nH]1)OCO3 ZINC000586967586 EF Annotated Anodyne N#Cc1cc2nc(CSc3ncccc3C(=O)O)[nH]c2cc1C#N ZINC000586967769 EF Annotated Mild O=C(O)c1cccnc1SCc1nc2cccc(C(=O)O)c2[nH]1 ZINC000586967780 EF Annotated Anodyne COc1cc(OC)c2[nH]c(CSc3ncccc3C(=O)O)nc2c1 ZINC000586968135 EF Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2c(C(=O)O)cc(F)cc2[nH]1 ZINC000586968248 EF Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586968484 EF Annotated Anodyne [O-][n+]1ccccc1SCc1nc2ccc(Br)nc2[nH]1 ZINC000586968613 EF Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586968751 EF Annotated Anodyne [O-][n+]1ccccc1SCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586968790 EF Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2c(Cl)ncc(F)c2[nH]1 ZINC000586968884 EF Annotated Anodyne COC(=O)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 ZINC000586969057 EF Annotated Anodyne O=C(O)c1cccnc1SCc1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586969099 EF Annotated Bother N[C@H](N=O)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 ZINC000586969180 EF Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 ZINC000586969181 EF Annotated Anodyne [O-][n+]1ccccc1SCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586969199 EF Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586969269 EF Annotated Bother O=C(O)CSc1ncccc1-c1nc2c([N+](=O)[O-])cccc2[nH]1 ZINC000586969270 EF Annotated Bother N[C@H](N=O)c1ccc2[nH]c(-c3cccnc3SCC(=O)O)nc2c1 ZINC000586969333 EF Annotated Anodyne N[C@@H](N=O)c1ccc2[nH]c(-c3cccnc3SCC(=O)O)nc2c1 ZINC000586969337 EF Annotated Anodyne [O-][n+]1ccccc1SCc1nc2ccnc(Br)c2[nH]1 ZINC000586969387 EF Annotated Anodyne [O-][n+]1ccccc1SCc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586969433 EF Annotated Anodyne CCOC(=O)Cc1ccc2nc(CSc3cccc[n+]3[O-])[nH]c2c1 ZINC000586969444 EF Annotated Anodyne O=C(O)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 ZINC000586969596 EF Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586969636 EF Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586969652 EF Annotated Anodyne CSCC(C)(C)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586969658 EF Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586969713 EF Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2cc3[nH]ncc3cc2[nH]1 ZINC000586969773 EF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CSc3cccc[n+]3[O-])nc2c1 ZINC000586969828 EF Annotated Anodyne [O-][n+]1ccccc1SCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586969947 EF Annotated Anodyne [O-][n+]1ccccc1SCc1nc2cc(Br)ncc2[nH]1 ZINC000586970062 EF Annotated Anodyne [O-][n+]1ccccc1SCc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586970104 EF Annotated Anodyne [O-][n+]1ccccc1SCc1nc2cncc(Br)c2[nH]1 ZINC000586970302 EF Annotated Anodyne [O-][n+]1ccccc1SCc1nc2c(Br)ccnc2[nH]1 ZINC000586970361 EF Annotated Anodyne CCOC(=O)c1ccc2nc(CSc3cccc[n+]3[O-])[nH]c2c1 ZINC000586970365 EF Annotated Anodyne [O-][n+]1ccccc1SCc1nc2cc(Br)cnc2[nH]1 ZINC000586970406 EF Annotated Anodyne Cc1ccc(CSCCc2nc3nc(C#N)c(C#N)nc3[nH]2)cc1 ZINC000586970526 EF Annotated Mild CCCC(Br)(CCC)c1nc2c(O)nc(=N)[nH]c2[nH]1 ZINC000586970619 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](Br)C(C)(C)OC)nc12 ZINC000586970880 EF Annotated Reactive COC(=O)c1ccnc2[nH]c([C@H](Br)C(C)(C)OC)nc12 ZINC000586970882 EF Annotated Reactive CCCC(Br)(CCC)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586970899 EF Annotated Anodyne O=C(O)c1cc(Br)cc2nc(CBr)[nH]c12 ZINC000586971022 EF Annotated Reactive COC(=O)c1cc2nc([C@H](Br)C(C)(C)OC)[nH]c2cn1 ZINC000586971203 EF Annotated Reactive COC(=O)c1cc2nc([C@@H](Br)C(C)(C)OC)[nH]c2cn1 ZINC000586971205 EF Annotated Reactive COC(=O)c1ccc2nc([C@@H](Br)C(C)(C)OC)[nH]c2n1 ZINC000586971251 EF Annotated Reactive COC(=O)c1ccc2nc([C@H](Br)C(C)(C)OC)[nH]c2n1 ZINC000586971253 EF Annotated Reactive COC(C)(C)[C@H](Br)c1nc2ccc(CCO)cc2[nH]1 ZINC000586971260 EF Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2ccc(CCO)cc2[nH]1 ZINC000586971262 EF Annotated Reactive COC(C)(C)[C@H](Br)c1nc2c(S)nc(S)nc2[nH]1 ZINC000586971622 EF Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2c(S)nc(S)nc2[nH]1 ZINC000586971636 EF Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586971730 EF Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586971731 EF Annotated Reactive COC(C)(C)[C@H](Br)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586971775 EF Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586971776 EF Annotated Reactive Cc1ccc(CSCCc2nc3ccc(C(=O)NN)cc3[nH]2)cc1 ZINC000586971819 EF Annotated Reactive Oc1nc(NCc2ccccc2)c2nc(CBr)nc-2[nH]1 ZINC000586972005 EF Annotated Reactive BrCCCCc1nc2nc(Br)c[nH]c-2n1 ZINC000586972048 EF Annotated Reactive O=S(=O)(c1ccc2nc(CBr)[nH]c2c1)C(F)(F)F ZINC000586972358 EF Annotated Reactive O=S(=O)(O)c1ccc2nc(CCCCBr)[nH]c2c1 ZINC000586972510 EF Annotated Reactive COC(=O)c1ccc2nc(/C=C\CBr)[nH]c2c1OC ZINC000586972737 EF Annotated Reactive COC(=O)c1ccc2nc(/C=C/CBr)[nH]c2c1OC ZINC000586972738 EF Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586972753 EF Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586972754 EF Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586972960 EF Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586972961 EF Annotated Reactive CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(N)ccnc2[nH]1 ZINC000586973030 EF Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(N)ccnc2[nH]1 ZINC000586973032 EF Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccnc(O)c2[nH]1 ZINC000586973071 EF Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccnc(O)c2[nH]1 ZINC000586973072 EF Annotated Anodyne O=[N+]([O-])c1cc2nc(/C=C/CBr)[nH]c2cc1[N+](=O)[O-] ZINC000586973362 EF Annotated Reactive O=[N+]([O-])c1cc2nc(/C=C\CBr)[nH]c2cc1[N+](=O)[O-] ZINC000586973363 EF Annotated Reactive COC(=O)c1cc2[nH]c(/C=C\CBr)nc2cc1OC ZINC000586973657 EF Annotated Reactive COC(=O)c1cc2[nH]c(/C=C/CBr)nc2cc1OC ZINC000586973659 EF Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2c(O)nc(=N)[nH]c2[nH]1 ZINC000586973727 EF Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2c(O)nc(=N)[nH]c2[nH]1 ZINC000586973728 EF Annotated Reactive CC1=C(c2ccc3nc(/C=C\CBr)[nH]c3c2)NNC(=O)C1 ZINC000586973759 EF Annotated Reactive CC1=C(c2ccc3nc(/C=C/CBr)[nH]c3c2)NNC(=O)C1 ZINC000586973760 EF Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2c(N)ncnc2[nH]1 ZINC000586974216 EF Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2c(N)ncnc2[nH]1 ZINC000586974217 EF Annotated Reactive BrC/C=C/c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586974256 EF Annotated Reactive BrC/C=C\c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586974257 EF Annotated Reactive COc1cc(/C=C/c2nc3c[nH]c(=N)[nH]c-3n2)ccc1Br ZINC000586976002 EF Annotated Anodyne COc1cc(/C=C\c2nc3c[nH]c(=N)[nH]c-3n2)ccc1Br ZINC000586976006 EF Annotated Anodyne COc1cc(/C=C/c2nc3c(N)ncnc3[nH]2)ccc1Br ZINC000586977358 EF Annotated Anodyne COc1cc(/C=C\c2nc3c(N)ncnc3[nH]2)ccc1Br ZINC000586977362 EF Annotated Anodyne CCc1ccc(-c2nc3c(O)nc(O)nc3[nH]2)cc1Br ZINC000586977994 EF Annotated Anodyne Cc1nn(Cc2nc3ccc(CCO)cc3[nH]2)c(C)c1Br ZINC000586978677 EF Annotated Anodyne COc1nccc2nc(Cn3nc(C)c(Br)c3C)[nH]c12 ZINC000586978696 EF Annotated Anodyne COc1cncc2nc(Cn3nc(C)c(Br)c3C)[nH]c12 ZINC000586978703 EF Annotated Anodyne Cc1nn(Cc2nc3cc4c(cc3[nH]2)OCO4)c(C)c1Br ZINC000586978750 EF Annotated Anodyne Cc1nn(Cc2nc3ccc(CO)cc3[nH]2)c(C)c1Br ZINC000586978896 EF Annotated Anodyne COc1ccc2nc(Cn3nc(C)c(Br)c3C)[nH]c2n1 ZINC000586978917 EF Annotated Anodyne Oc1nncc2nc(-c3ccnc(Cl)c3Br)[nH]c12 ZINC000586979101 EF Annotated Anodyne Cc1nn(Cc2nc3ccc(C(=O)O)cc3[nH]2)c(C)c1Br ZINC000586979102 EF Annotated Anodyne Oc1ncnc2[nH]c(-c3ccnc(Cl)c3Br)nc12 ZINC000586979131 EF Annotated Anodyne COc1cc2nc(Cn3nc(C)c(Br)c3C)[nH]c2cn1 ZINC000586979166 EF Annotated Anodyne Cc1nn(Cc2nc3nc(Cl)c[nH]c-3n2)c(C)c1Br ZINC000586979271 EF Annotated Anodyne CCOc1n[nH]c(-c2nc3c(Cl)ncnc3[nH]2)c1Br ZINC000586979325 EF Annotated Anodyne Cc1nn(Cc2nc3c(Cl)ncnc3[nH]2)c(C)c1Br ZINC000586979373 EF Annotated Anodyne Cc1nn(Cc2nc3cccc(C(=O)O)c3[nH]2)c(C)c1Br ZINC000586979394 EF Annotated Anodyne Cc1nn(Cc2nc3cnc(Cl)[nH]c-3n2)c(C)c1Br ZINC000586979430 EF Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(OC)nc3[nH]2)c1Br ZINC000586979504 EF Annotated Anodyne CCOc1n[nH]c(-c2nc3cccc(C#N)c3[nH]2)c1Br ZINC000586979510 EF Annotated Mild CCOc1n[nH]c(-c2nc3cc4cn[nH]c4cc3[nH]2)c1Br ZINC000586979547 EF Annotated Anodyne Cc1c(-c2nc3c(N)ncnc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979551 EF Annotated Bother CCOc1n[nH]c(-c2nc3cncc(OC)c3[nH]2)c1Br ZINC000586979608 EF Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(F)cnc3[nH]2)c1Br ZINC000586979648 EF Annotated Anodyne CCOc1n[nH]c(-c2nc3nc(Cl)c[nH]c-3n2)c1Br ZINC000586979698 EF Annotated Anodyne Cc1c(-c2nc3cnncc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979716 EF Annotated Bother Cc1c(-c2nc3cncnc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979725 EF Annotated Bother CCOc1n[nH]c(-c2nc3cc(OC)ncc3[nH]2)c1Br ZINC000586979727 EF Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(C#N)cc3[nH]2)c1Br ZINC000586979729 EF Annotated Mild CCOc1n[nH]c(-c2nc3cnc(Cl)[nH]c-3n2)c1Br ZINC000586979825 EF Annotated Anodyne CCOc1n[nH]c(-c2nc3ccnc(OC)c3[nH]2)c1Br ZINC000586979955 EF Annotated Anodyne Cc1c(-c2nc3ncc[nH]c-3n2)cc(Br)cc1[N+](=O)[O-] ZINC000586980407 EF Annotated Bother CCOc1n[nH]c(-c2nc3ccc(CO)cc3[nH]2)c1Br ZINC000586980417 EF Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cnnc(O)c2[nH]1 ZINC000586980669 EF Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2c(N)ncnc2[nH]1 ZINC000586981915 EF Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2c(O)ncnc2[nH]1 ZINC000586982054 EF Annotated Anodyne Nc1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cc1N ZINC000586983140 EF Annotated Anodyne Nc1ccnc2[nH]c([C@H](N)Cc3cccc(Br)c3)nc12 ZINC000586983601 EF Annotated Anodyne Nc1ccnc2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc12 ZINC000586983602 EF Annotated Anodyne COc1cncc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c12 ZINC000586983672 EF Annotated Anodyne COc1cncc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12 ZINC000586983673 EF Annotated Anodyne Nc1cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2cc1N ZINC000586983693 EF Annotated Anodyne Nc1cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2cc1N ZINC000586983695 EF Annotated Anodyne COc1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2n1 ZINC000586983718 EF Annotated Anodyne COc1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2n1 ZINC000586983719 EF Annotated Anodyne COc1nccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c12 ZINC000586984478 EF Annotated Anodyne COc1nccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12 ZINC000586984480 EF Annotated Anodyne COc1cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2cn1 ZINC000586984846 EF Annotated Anodyne COc1cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2cn1 ZINC000586984848 EF Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2ccnc(O)c2[nH]1 ZINC000586985119 EF Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2ccnc(O)c2[nH]1 ZINC000586985120 EF Annotated Anodyne O=C1c2ccccc2-c2cc(CCn3cncn3)nc3ccc(O)c1c23 ZINC000586987021 EF Annotated Anodyne NC(=O)[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586987601 EF Annotated Anodyne NC(=O)[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586987604 EF Annotated Anodyne CC(=O)N[C@H]1Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586987857 EF Annotated Anodyne CC(=O)N[C@@H]1Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586987858 EF Annotated Anodyne N=c1[nH]onc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988028 EF Annotated Anodyne Cn1ncnc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988046 EF Annotated Anodyne O=C1c2ccccc2-c2cc(CN3CCOCC3)nc3ccc(O)c1c23 ZINC000586988243 EF Annotated Anodyne CN(C)C(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988584 EF Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c[nH]c(=O)cn3)nc3ccc(O)c1c23 ZINC000586988700 EF Annotated Anodyne CC(=O)NCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988951 EF Annotated Anodyne CN(CCO)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988966 EF Annotated Anodyne CON(C)C(=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989157 EF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H](C(=O)O)C3 ZINC000586990171 EF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H](C(=O)O)C3 ZINC000586990176 EF Annotated Anodyne CCOC(=O)C(=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990213 EF Annotated Anodyne COCC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990615 EF Annotated Anodyne COC(=O)[C@@H]1Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586991340 EF Annotated Anodyne COC(=O)[C@H]1Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586991342 EF Annotated Anodyne O=CCc1c(C(=O)O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991837 EF Annotated Mild COC(=O)[C@@](C)(O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586993623 EF Annotated Anodyne COC(=O)[C@](C)(O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586993626 EF Annotated Anodyne CS(=O)(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994441 EF Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586995424 EF Annotated Anodyne Nc1ccnc2[nH]c(CCNc3ccc(Br)cc3)nc12 ZINC000586995480 EF Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c([C@H](O)c3ccc(Br)cc3)nc2c1 ZINC000586996239 EF Annotated Bother OCCc1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586996325 EF Annotated Anodyne O=[N+]([O-])c1cncc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 ZINC000586996582 EF Annotated Bother N=c1cc2nc(CCNc3ccc(Br)cc3)[nH]c2c[nH]1 ZINC000586996763 EF Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(CN)nc13)-c1ccccc1C2=O ZINC000586996869 EF Annotated Anodyne COc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2n1 ZINC000586997047 EF Annotated Anodyne OCc1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586997223 EF Annotated Anodyne Nc1cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2cc1N ZINC000586997326 EF Annotated Anodyne N=c1[nH]ccc2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586997522 EF Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000586997716 EF Annotated Anodyne COc1cncc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12 ZINC000586997724 EF Annotated Anodyne Nc1ccnc2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc12 ZINC000586997725 EF Annotated Anodyne COc1nccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 ZINC000586997740 EF Annotated Anodyne COc1cncc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 ZINC000586997750 EF Annotated Anodyne COc1cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2cn1 ZINC000586997752 EF Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2c(Cl)ncnc2[nH]1 ZINC000586997769 EF Annotated Anodyne N[C@H](Cc1nc2ccnc(O)c2[nH]1)c1ccc(Br)cc1 ZINC000586997771 EF Annotated Anodyne COc1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cn1 ZINC000586998027 EF Annotated Anodyne COc1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2n1 ZINC000586998075 EF Annotated Anodyne Nc1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1N ZINC000586998202 EF Annotated Anodyne COc1nccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12 ZINC000586998208 EF Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000586998256 EF Annotated Anodyne Brc1cc2c(cc1/C=C/c1nc3ncc[nH]c-3n1)OCO2 ZINC000586999217 EF Annotated Anodyne Brc1cc2c(cc1/C=C\c1nc3ncc[nH]c-3n1)OCO2 ZINC000586999218 EF Annotated Anodyne CCn1cc(Br)c(Cc2nc3cnc(Cl)[nH]c-3n2)n1 ZINC000586999676 EF Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(CO)cc3[nH]2)n1 ZINC000586999995 EF Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc4c(cc3[nH]2)OCO4)n1 ZINC000587000341 EF Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(OC)nc3[nH]2)n1 ZINC000587000370 EF Annotated Anodyne CCn1cc(Br)c(Cc2nc3cncc(OC)c3[nH]2)n1 ZINC000587000405 EF Annotated Anodyne CCn1cc(Br)c(Cc2nc3cccc(C(=O)O)c3[nH]2)n1 ZINC000587000406 EF Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(CCO)cc3[nH]2)n1 ZINC000587000435 EF Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccnc(OC)c3[nH]2)n1 ZINC000587000468 EF Annotated Anodyne CCn1cc(Br)c(Cc2nc3c(Cl)ncnc3[nH]2)n1 ZINC000587000899 EF Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(OC)ncc3[nH]2)n1 ZINC000587001322 EF Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(C(=O)O)cc3[nH]2)n1 ZINC000587001512 EF Annotated Anodyne CCn1cc(Br)c(Cc2nc3nc(Cl)c[nH]c-3n2)n1 ZINC000587001695 EF Annotated Anodyne N=c1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c[nH]1 ZINC000587001952 EF Annotated Anodyne Nc1ccnc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 ZINC000587001976 EF Annotated Anodyne Brc1ccc2c(cnn2CCc2nc3ncc[nH]c-3n2)c1 ZINC000587002226 EF Annotated Anodyne Brc1ccc2c(cnn2CCc2nc3cnncc3[nH]2)c1 ZINC000587002289 EF Annotated Anodyne Brc1ccc2c(cnn2CCc2nc3cncnc3[nH]2)c1 ZINC000587002790 EF Annotated Anodyne N=c1[nH]ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 ZINC000587003000 EF Annotated Anodyne Oc1nccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 ZINC000587003476 EF Annotated Anodyne COc1nccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005172 EF Annotated Anodyne COc1cncc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005176 EF Annotated Anodyne Oc1nncc2nc(-c3nc(Br)ccc3Cl)[nH]c12 ZINC000587005264 EF Annotated Anodyne Oc1nccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005368 EF Annotated Anodyne Clc1cnc(Br)c(-c2nc3cnc(Cl)[nH]c-3n2)n1 ZINC000587005455 EF Annotated Anodyne COc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cn1 ZINC000587005590 EF Annotated Anodyne Clc1cnc(Br)c(-c2nc3c(Cl)ncnc3[nH]2)n1 ZINC000587005629 EF Annotated Anodyne Oc1ncnc2[nH]c(-c3nc(Br)ccc3Cl)nc12 ZINC000587005800 EF Annotated Anodyne Clc1c[nH]c2nc(-c3nc(Cl)cnc3Br)nc-2n1 ZINC000587005809 EF Annotated Anodyne OCc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 ZINC000587005815 EF Annotated Anodyne Fc1cnc2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 ZINC000587005839 EF Annotated Anodyne Oc1nncc2nc(-c3ccnc(Br)c3Cl)[nH]c12 ZINC000587005867 EF Annotated Anodyne Nc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1N ZINC000587005880 EF Annotated Anodyne COc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2n1 ZINC000587005909 EF Annotated Anodyne Oc1ncnc2[nH]c(-c3cc4ccc(Br)cn4c3)nc12 ZINC000587006003 EF Annotated Anodyne Sc1nc(S)c2nc(-c3ccc(Br)o3)[nH]c2n1 ZINC000587006059 EF Annotated Anodyne O=S(=O)(O)c1ccc2[nH]c(-c3ccc(Br)o3)nc2c1 ZINC000587006147 EF Annotated Anodyne N=c1[nH]ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 ZINC000587006269 EF Annotated Anodyne Oc1nncc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587006382 EF Annotated Anodyne Nc1cc2nc(-c3cccn4c(Br)cnc34)[nH]c2cc1N ZINC000587006609 EF Annotated Anodyne Nc1ccnc2[nH]c(-c3cnn4cccc(Br)c34)nc12 ZINC000587006769 EF Annotated Anodyne Brc1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)o1 ZINC000587006857 EF Annotated Anodyne Nc1ncnc2[nH]c(-c3cc4ccc(Br)cn4c3)nc12 ZINC000587006970 EF Annotated Anodyne Oc1nccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587006997 EF Annotated Anodyne N=c1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c[nH]1 ZINC000587007079 EF Annotated Anodyne Oc1ncnc2[nH]c(-c3ccnc(Br)c3Cl)nc12 ZINC000587007112 EF Annotated Anodyne Nc1ccnc2nc(-c3cccn4c(Br)cnc34)[nH]c12 ZINC000587007227 EF Annotated Anodyne Nc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1N ZINC000587007463 EF Annotated Anodyne CC(C)(NC(=O)CCl)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587007522 EF Annotated Reactive Cc1ccnc2[nH]c(-c3cnn4cc(Br)cnc34)nc12 ZINC000587007576 EF Annotated Anodyne Nc1ccnc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc12 ZINC000587007861 EF Annotated Anodyne CC(C)(NC(=O)CCl)c1nc2cccc(Br)c2[nH]1 ZINC000587007912 EF Annotated Reactive Oc1nccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587007918 EF Annotated Anodyne Cc1nc2[nH]c(C(C)(C)NC(=O)CCl)nc2cc1Br ZINC000587007980 EF Annotated Reactive Fc1cnc2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 ZINC000587008114 EF Annotated Anodyne Oc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587008209 EF Annotated Anodyne N#Cc1cccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587008219 EF Annotated Mild OCc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587008296 EF Annotated Anodyne CC1=C(c2ccc3nc([C@H](Cl)CCl)[nH]c3c2)NNC(=O)C1 ZINC000587008455 EF Annotated Reactive CC1=C(c2ccc3nc([C@@H](Cl)CCl)[nH]c3c2)NNC(=O)C1 ZINC000587008469 EF Annotated Reactive Oc1nccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 ZINC000587008524 EF Annotated Anodyne Cc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2n1 ZINC000587008694 EF Annotated Anodyne CC(C)(NC(=O)CCl)c1nc2ccc(Br)cc2[nH]1 ZINC000587008723 EF Annotated Reactive Oc1cccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587008786 EF Annotated Anodyne N#Cc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587008815 EF Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(C(C)(C)NC(=O)CCl)nc2c1 ZINC000587008913 EF Annotated Reactive Cc1cncc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587009039 EF Annotated Anodyne Cc1cnc2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 ZINC000587009181 EF Annotated Anodyne CC1=C(c2ccc3nc([C@H](C)Br)[nH]c3c2)NNC(=O)C1 ZINC000587009200 EF Annotated Reactive Cc1c(Br)cnc2[nH]c(C(C)(C)NC(=O)CCl)nc12 ZINC000587009233 EF Annotated Reactive CC(C)(NC(=O)CCl)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587009469 EF Annotated Reactive CCOC(=O)c1cc(Br)c2[nH]c([C@H](N)CCl)nc2c1 ZINC000587009471 EF Annotated Reactive N[C@H](CCl)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587010982 EF Annotated Reactive Oc1nncc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 ZINC000587011805 EF Annotated Anodyne Cc1ccc(-c2nc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)c(C)s2)cc1 ZINC000587012345 EF Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2c(O)nc(O)nc2[nH]1 ZINC000587012525 EF Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587012587 EF Annotated Anodyne Cc1nc(Br)sc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587012635 EF Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587013062 EF Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000587013068 EF Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587013112 EF Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587013158 EF Annotated Anodyne Nc1ncnc2[nH]c(-c3nc(Br)sc3C3CC3)nc12 ZINC000587013274 EF Annotated Anodyne Oc1ncnc2[nH]c(-c3nc(Br)sc3C3CC3)nc12 ZINC000587013281 EF Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587013373 EF Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587013400 EF Annotated Bother CCCc1sc(=N)[nH]c1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587013586 EF Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587013763 EF Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(=N)[nH]cc3[nH]2)cs1 ZINC000587013917 EF Annotated Anodyne Cc1nc(Br)sc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000587013986 EF Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc[nH]c(=N)c3[nH]2)cs1 ZINC000587014104 EF Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3c(N)ccnc3[nH]2)cs1 ZINC000587014192 EF Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3ccc(C(=O)NN)cc3[nH]2)s1 ZINC000587014216 EF Annotated Reactive CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(C(=O)NN)cc3[nH]2)s1 ZINC000587014217 EF Annotated Reactive CC(C)(C)OC(=O)NCc1nc(-c2nc3cnncc3[nH]2)cs1 ZINC000587014224 EF Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3c(O)nc(S)nc3[nH]2)s1 ZINC000587014491 EF Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3c(O)nc(S)nc3[nH]2)s1 ZINC000587014492 EF Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)s1 ZINC000587014530 EF Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)s1 ZINC000587014534 EF Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3nc(C#N)c(C#N)nc3[nH]2)s1 ZINC000587014723 EF Annotated Mild CCO[C@@H](C)c1nc(C)c(-c2nc3nc(C#N)c(C#N)nc3[nH]2)s1 ZINC000587014724 EF Annotated Mild CC(C)(C)OC(=O)NCc1nc(-c2nc3ccnc(O)c3[nH]2)cs1 ZINC000587014799 EF Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cncnc3[nH]2)cs1 ZINC000587014820 EF Annotated Anodyne CCc1ccc(-c2nc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)cs2)cc1 ZINC000587015692 EF Annotated Anodyne Cc1ccc(-c2nc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)cs2)o1 ZINC000587015788 EF Annotated Mild COC(=O)c1ccnc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc12 ZINC000587015797 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc12 ZINC000587015798 EF Annotated Anodyne Cc1ccc(-c2nc(-c3nc4ccc(C(=O)NN)cc4[nH]3)cs2)o1 ZINC000587016010 EF Annotated Reactive c1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1-n1cnnn1 ZINC000587016051 EF Annotated Anodyne c1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1-n1cnnn1 ZINC000587016054 EF Annotated Anodyne COC(=O)c1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cn1 ZINC000587016340 EF Annotated Anodyne COC(=O)c1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cn1 ZINC000587016341 EF Annotated Anodyne N=c1nc(O)c2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2[nH]1 ZINC000587016437 EF Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3csc(O)n3)[nH]c12 ZINC000587016448 EF Annotated Anodyne Oc1nc(-c2nc3cccc(I)c3[nH]2)cs1 ZINC000587016456 EF Annotated Anodyne N=c1[nH]c2nc(Cc3csc(-c4ccco4)n3)nc-2c(Cl)[nH]1 ZINC000587016758 EF Annotated Anodyne N=c1[nH]cc2nc(-c3csc(-c4ncccc4Cl)n3)nc-2[nH]1 ZINC000587016831 EF Annotated Anodyne COC(=O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2n1 ZINC000587016879 EF Annotated Anodyne COC(=O)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2n1 ZINC000587016880 EF Annotated Anodyne Oc1nncc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 ZINC000587016933 EF Annotated Anodyne O=C1COc2cc3[nH]c(-c4csc([C@H]5CCCO5)n4)nc3cc2N1 ZINC000587017114 EF Annotated Anodyne Oc1nc(O)c2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2n1 ZINC000587017115 EF Annotated Anodyne O=C1COc2cc3[nH]c(-c4csc([C@@H]5CCCO5)n4)nc3cc2N1 ZINC000587017118 EF Annotated Anodyne Oc1ncnc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc12 ZINC000587017348 EF Annotated Anodyne Oc1ncnc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12 ZINC000587017370 EF Annotated Anodyne c1coc(-c2nc(Cc3nc4ccc(-n5cnnn5)cc4[nH]3)cs2)c1 ZINC000587017566 EF Annotated Anodyne Nc1ncnc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc12 ZINC000587017595 EF Annotated Anodyne Sc1nc(S)c2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2n1 ZINC000587017725 EF Annotated Anodyne Sc1nc(S)c2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2n1 ZINC000587017726 EF Annotated Anodyne Oc1nc(S)nc2[nH]c(Cc3csc(-c4ccco4)n3)nc12 ZINC000587017830 EF Annotated Anodyne Nc1ncnc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12 ZINC000587017858 EF Annotated Anodyne Oc1nncc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 ZINC000587018112 EF Annotated Anodyne Oc1nc(-c2nc3ccc(I)cc3[nH]2)cs1 ZINC000587018255 EF Annotated Anodyne O=C(Nc1nc(Cc2nc3cncnc3[nH]2)cs1)c1cccs1 ZINC000587019126 EF Annotated Anodyne O=C(Nc1nc(Cc2nc3ncc[nH]c-3n2)cs1)c1cccs1 ZINC000587019914 EF Annotated Anodyne Cc1nc(COc2cccc(-c3nc4c(N)ncnc4[nH]3)c2)cs1 ZINC000587019977 EF Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cnncc3[nH]2)cs1 ZINC000587020177 EF Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc[nH]c(=N)c3[nH]2)cs1 ZINC000587020195 EF Annotated Anodyne Cc1nc(COc2cccc(-c3nc4c[nH]c(=N)[nH]c-4n3)c2)cs1 ZINC000587020201 EF Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(=N)[nH]cc3[nH]2)cs1 ZINC000587020245 EF Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ncc[nH]c-3n2)cs1 ZINC000587020280 EF Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(N)ccnc3[nH]2)cs1 ZINC000587020338 EF Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cncnc3[nH]2)cs1 ZINC000587020416 EF Annotated Anodyne N=c1[nH]c2nc(-c3cccc(-c4csc(=N)[nH]4)c3)nc-2c(Cl)[nH]1 ZINC000587020518 EF Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3ccc(C(=O)NN)cc3[nH]2)cs1 ZINC000587020572 EF Annotated Reactive COC(=O)c1cc2[nH]c(-c3cnc([C@@H](C)O)s3)nc2cc1OC ZINC000587020676 EF Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cnc([C@H](C)O)s3)nc2cc1OC ZINC000587020677 EF Annotated Anodyne COC(=O)c1ccc2nc(-c3cnc([C@@H](C)O)s3)[nH]c2c1OC ZINC000587020793 EF Annotated Anodyne COC(=O)c1ccc2nc(-c3cnc([C@H](C)O)s3)[nH]c2c1OC ZINC000587020796 EF Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc5c(cc4[nH]3)OCO5)s2)cn1 ZINC000587020812 EF Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3cncc(Br)c3[nH]2)s1 ZINC000587020824 EF Annotated Anodyne C[C@H](O)c1ncc(-c2nc3cncc(Br)c3[nH]2)s1 ZINC000587020826 EF Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)s2)cn1 ZINC000587020838 EF Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3ccnc(Br)c3[nH]2)s1 ZINC000587020902 EF Annotated Anodyne C[C@H](O)c1ncc(-c2nc3ccnc(Br)c3[nH]2)s1 ZINC000587020903 EF Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cs1 ZINC000587021075 EF Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cccc(C(=O)O)c4[nH]3)s2)cn1 ZINC000587021223 EF Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3cc(Br)cnc3[nH]2)s1 ZINC000587021252 EF Annotated Anodyne C[C@H](O)c1ncc(-c2nc3cc(Br)cnc3[nH]2)s1 ZINC000587021253 EF Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)s1 ZINC000587021255 EF Annotated Anodyne C[C@H](O)c1ncc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)s1 ZINC000587021261 EF Annotated Anodyne COC(=O)c1cccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c12 ZINC000587021342 EF Annotated Anodyne N#Cc1nc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2nc1C#N ZINC000587021358 EF Annotated Mild Cc1nc(-c2c[nH]cc2-c2nc3ccc(-n4cnnn4)cc3[nH]2)cs1 ZINC000587021376 EF Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3ccc(Br)nc3[nH]2)s1 ZINC000587021444 EF Annotated Anodyne C[C@H](O)c1ncc(-c2nc3ccc(Br)nc3[nH]2)s1 ZINC000587021445 EF Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc5c(cc4[nH]3)OCCO5)s2)cn1 ZINC000587021549 EF Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)s2)cn1 ZINC000587021555 EF Annotated Anodyne Cn1cc(-c2ncc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)s2)cn1 ZINC000587021613 EF Annotated Bother CCOC(=O)Cc1ccc2nc(-c3cnc([C@@H](C)O)s3)[nH]c2c1 ZINC000587021638 EF Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cnc([C@H](C)O)s3)[nH]c2c1 ZINC000587021642 EF Annotated Anodyne Cn1cc(-c2ncc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)s2)cn1 ZINC000587021726 EF Annotated Anodyne Cn1cc(-c2ncc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)s2)cn1 ZINC000587021729 EF Annotated Anodyne COC(=O)c1ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2c1 ZINC000587021840 EF Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc(C#N)c(C#N)cc4[nH]3)s2)cn1 ZINC000587021888 EF Annotated Mild Cn1cc(-c2ncc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)s2)cn1 ZINC000587021963 EF Annotated Anodyne NNC(=O)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 ZINC000587021969 EF Annotated Reactive Cn1cc(-c2ncc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)s2)cn1 ZINC000587022040 EF Annotated Bother C[C@H](O)c1ncc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)s1 ZINC000587022200 EF Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)s1 ZINC000587022201 EF Annotated Anodyne N#Cc1ncc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)s1 ZINC000587022295 EF Annotated Mild Cc1nc(-c2c[nH]cc2-c2nc3nc(C#N)c(C#N)nc3[nH]2)cs1 ZINC000587022377 EF Annotated Mild Cn1cc(-c2ncc(-c3nc4ccc(CCO)cc4[nH]3)s2)cn1 ZINC000587022394 EF Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4c(O)nc(S)nc4[nH]3)c2)cs1 ZINC000587022502 EF Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3c(O)nc(S)nc3[nH]2)cs1 ZINC000587022541 EF Annotated Anodyne N#Cc1ncc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)s1 ZINC000587022722 EF Annotated Mild C[C@@H](O)c1ncc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)s1 ZINC000587022756 EF Annotated Bother C[C@H](O)c1ncc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)s1 ZINC000587022757 EF Annotated Bother C[C@@H](O)c1ncc(-c2nc3c(Br)ccnc3[nH]2)s1 ZINC000587022763 EF Annotated Anodyne C[C@H](O)c1ncc(-c2nc3c(Br)ccnc3[nH]2)s1 ZINC000587022764 EF Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3cc(Br)ncc3[nH]2)s1 ZINC000587022825 EF Annotated Anodyne C[C@H](O)c1ncc(-c2nc3cc(Br)ncc3[nH]2)s1 ZINC000587022826 EF Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(O)nncc3[nH]2)s1 ZINC000587022905 EF Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(=N)[nH]ccc3[nH]2)s1 ZINC000587023279 EF Annotated Anodyne N#Cc1nc2nc(-c3ccc(-c4nccs4)s3)nc-2[nH]c1C#N ZINC000587023638 EF Annotated Mild CN(C)S(=O)(=O)c1cccc2nc(-c3cnc(Cl)s3)[nH]c12 ZINC000587023692 EF Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(O)ncnc3[nH]2)s1 ZINC000587023953 EF Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c[nH]c(=N)cc3[nH]2)s1 ZINC000587024002 EF Annotated Anodyne CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3ccc(F)cc3[nH]2)s1 ZINC000587024032 EF Annotated Anodyne CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3ccccc3[nH]2)s1 ZINC000587024128 EF Annotated Anodyne N#Cc1nc2nc(-c3ccc(-c4nccs4)cc3)nc-2[nH]c1C#N ZINC000587024156 EF Annotated Mild CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3cccc(F)c3[nH]2)s1 ZINC000587024388 EF Annotated Anodyne N#Cc1nc(Cl)cc2nc(CSc3nnc(S)s3)[nH]c12 ZINC000587024550 EF Annotated Mild Sc1nnc(SCc2nc3cc4c(cc3[nH]2)OCCO4)s1 ZINC000587024903 EF Annotated Anodyne COC(=O)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 ZINC000587025044 EF Annotated Anodyne O=[N+]([O-])c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 ZINC000587025255 EF Annotated Bother O=C(O)c1cc2nc(CSc3nnc(S)s3)[nH]c2cc1F ZINC000587025313 EF Annotated Anodyne O=C(O)c1cc(F)cc2nc(CSc3nnc(S)s3)[nH]c12 ZINC000587025332 EF Annotated Anodyne O=[N+]([O-])c1cccc2nc(CSc3nnc(S)s3)[nH]c12 ZINC000587025512 EF Annotated Bother N[C@H](c1ccsc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587025747 EF Annotated Anodyne N[C@@H](c1ccsc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587025748 EF Annotated Anodyne N[C@H](N=O)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 ZINC000587025973 EF Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 ZINC000587026034 EF Annotated Anodyne Oc1nc2cc3nc(CSc4nnc(S)s4)[nH]c3cc2[nH]1 ZINC000587026096 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc(CSCc3ccsc3)[nH]c12 ZINC000587026124 EF Annotated Anodyne O=C1CCc2cc3nc(CSc4nnc(S)s4)[nH]c3cc2N1 ZINC000587026141 EF Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587026407 EF Annotated Anodyne N#Cc1cc2nc(CSc3nnc(S)s3)[nH]c2cc1C#N ZINC000587026443 EF Annotated Mild COC(=O)c1cccc2nc(CSc3nnc(S)s3)[nH]c12 ZINC000587026496 EF Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587026791 EF Annotated Mild O=C(NCc1nc2cc(Cl)c(Cl)nc2[nH]1)c1cscn1 ZINC000587027278 EF Annotated Anodyne O=C(NCc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1cscn1 ZINC000587027289 EF Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587027326 EF Annotated Anodyne COC(=O)c1cc2[nH]c(CCc3scnc3C)nc2cc1OC ZINC000587027341 EF Annotated Anodyne Cc1ncsc1CCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587027421 EF Annotated Bother Cc1ncsc1-c1c[nH]cc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000587027456 EF Annotated Anodyne O=C(NCc1nc2cccc(Br)c2[nH]1)c1cscn1 ZINC000587027459 EF Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587027461 EF Annotated Reactive N#Cc1cc(Br)c2[nH]c([C@H](N)Cc3cscn3)nc2c1 ZINC000587027470 EF Annotated Mild Cc1c(Br)cnc2[nH]c([C@H](N)Cc3cscn3)nc12 ZINC000587027515 EF Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2c(O)nc(S)nc2[nH]1 ZINC000587027610 EF Annotated Anodyne N[C@H](Cc1cscn1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587027737 EF Annotated Anodyne Cc1nc2[nH]c([C@H](N)Cc3cscn3)nc2cc1Br ZINC000587027771 EF Annotated Anodyne O=C(NCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1cscn1 ZINC000587027782 EF Annotated Bother COC(=O)c1cc(Cl)c2[nH]c([C@H](N)Cc3cscn3)nc2c1 ZINC000587027817 EF Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587027875 EF Annotated Mild N[C@@H](c1ccsc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587027879 EF Annotated Anodyne N[C@H](c1ccsc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587027886 EF Annotated Anodyne O=C(NCc1nc2cccc(OC(F)(F)F)c2[nH]1)c1cscn1 ZINC000587027958 EF Annotated Anodyne N#Cc1nc2nc(-c3ncsc3-c3ccccc3)[nH]c2nc1C#N ZINC000587028014 EF Annotated Mild O=C(NCc1nc2c(Cl)c(Cl)cnc2[nH]1)c1cscn1 ZINC000587028240 EF Annotated Anodyne O=C(NCc1nc2cccc(C(F)(F)F)c2[nH]1)c1cscn1 ZINC000587028242 EF Annotated Anodyne O=C(NCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1cscn1 ZINC000587028254 EF Annotated Anodyne O=C(NCc1nc2cc(Cl)nc(Cl)c2[nH]1)c1cscn1 ZINC000587028448 EF Annotated Anodyne O=C(NCc1nc2ccc(Br)cc2[nH]1)c1cscn1 ZINC000587028497 EF Annotated Anodyne O=C(NCc1nc2c(Cl)cnc(Cl)c2[nH]1)c1cscn1 ZINC000587028518 EF Annotated Anodyne COC(=O)c1ccc2nc(CCc3scnc3C)[nH]c2c1OC ZINC000587028533 EF Annotated Anodyne Cc1ncsc1CCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587028596 EF Annotated Anodyne O=C(NCc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1cscn1 ZINC000587028631 EF Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587028830 EF Annotated Anodyne N[C@H](Cc1cscn1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587028881 EF Annotated Anodyne Cc1c(-c2nc3c(O)nccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587028956 EF Annotated Anodyne Cc1c(-c2nc3c(=N)[nH]ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587028976 EF Annotated Anodyne Cc1c(-c2nc3c[nH]c(=N)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029130 EF Annotated Anodyne N[C@H](Cc1cscn1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587029255 EF Annotated Anodyne Oc1ncnc2[nH]c(-c3ccccc3OCc3cscn3)nc12 ZINC000587029410 EF Annotated Anodyne N[C@H](Cc1cscn1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587029979 EF Annotated Anodyne Oc1nncc2nc(-c3ccccc3OCc3cscn3)[nH]c12 ZINC000587029989 EF Annotated Anodyne Cc1c(-c2nc3nccc(N)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587030053 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3csc4ccc(O)cc34)[nH]c12 ZINC000587031329 EF Annotated Anodyne Brc1c[nH]c2nc(-c3csc4c3CCOC4)nc-2n1 ZINC000587031394 EF Annotated Anodyne O=C1COc2cc3[nH]c(-c4csc5c4CCOC5)nc3cc2N1 ZINC000587031983 EF Annotated Anodyne O=S(=O)(O)c1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 ZINC000587032603 EF Annotated Anodyne Oc1nc(O)c2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2n1 ZINC000587032609 EF Annotated Anodyne O=C(NCc1nc2cccc([N+](=O)[O-])c2[nH]1)c1cc2c(s1)CCC2 ZINC000587033856 EF Annotated Bother COC(=O)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2n1 ZINC000587034435 EF Annotated Anodyne COC(=O)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2n1 ZINC000587034436 EF Annotated Anodyne O=C(NCc1nc2ccc(CO)cc2[nH]1)c1cc2c(s1)CCC2 ZINC000587034735 EF Annotated Anodyne O=C(NCc1nc2cc3c(cc2[nH]1)OCO3)c1cc2c(s1)CCC2 ZINC000587034805 EF Annotated Anodyne O=C(NCc1nc2cccc(C(=O)O)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587034880 EF Annotated Anodyne COC(=O)c1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cn1 ZINC000587035158 EF Annotated Anodyne COC(=O)c1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cn1 ZINC000587035159 EF Annotated Anodyne Sc1nc(S)c2nc(C[C@H]3OCCc4ccsc43)[nH]c2n1 ZINC000587035196 EF Annotated Anodyne Sc1nc(S)c2nc(C[C@@H]3OCCc4ccsc43)[nH]c2n1 ZINC000587035201 EF Annotated Anodyne O=C1COc2cc3[nH]c(C[C@@H]4OCCc5ccsc54)nc3cc2N1 ZINC000587035212 EF Annotated Anodyne O=C1COc2cc3[nH]c(C[C@H]4OCCc5ccsc54)nc3cc2N1 ZINC000587035215 EF Annotated Anodyne N#Cc1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cc1C#N ZINC000587035280 EF Annotated Mild O=C(NCc1nc2cc3cn[nH]c3cc2[nH]1)c1cc2c(s1)CCC2 ZINC000587035299 EF Annotated Anodyne O=C(NCc1nc2ccc(CCO)cc2[nH]1)c1cc2c(s1)CCC2 ZINC000587035645 EF Annotated Anodyne O=C(O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 ZINC000587035654 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c(C[C@H]3OCCc4ccsc43)nc12 ZINC000587035968 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c(C[C@@H]3OCCc4ccsc43)nc12 ZINC000587035971 EF Annotated Anodyne c1cc2c(s1)CCS[C@@H]2c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587036951 EF Annotated Anodyne c1cc2c(s1)CCS[C@H]2c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587036954 EF Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cnccc4[nH]3)cc12 ZINC000587037613 EF Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cnccc4[nH]3)cc12 ZINC000587037614 EF Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cccnc4[nH]3)cc12 ZINC000587037615 EF Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cccnc4[nH]3)cc12 ZINC000587037616 EF Annotated Anodyne NNC(=O)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 ZINC000587037772 EF Annotated Reactive NNC(=O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 ZINC000587037782 EF Annotated Reactive C=CCN1C(=O)S[C@H](Cc2nc3ccc4ncccc4c3[nH]2)C1=O ZINC000587037922 EF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc4ncccc4c3[nH]2)C1=O ZINC000587037923 EF Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3c(C)cnc(Cl)c3[nH]2)C1=O ZINC000587038012 EF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3c(C)cnc(Cl)c3[nH]2)C1=O ZINC000587038031 EF Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cnc4ccccc4c3[nH]2)C1=O ZINC000587038032 EF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cnc4ccccc4c3[nH]2)C1=O ZINC000587038034 EF Annotated Mild CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(O)nccc2[nH]1 ZINC000587038172 EF Annotated Anodyne COc1ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2n1 ZINC000587038186 EF Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(CO)ccc2[nH]1 ZINC000587038294 EF Annotated Anodyne COc1cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2cn1 ZINC000587038302 EF Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cc(OC)c(F)cc3[nH]2)C1=O ZINC000587038449 EF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(OC)c(F)cc3[nH]2)C1=O ZINC000587038450 EF Annotated Mild COc1nccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc12 ZINC000587038457 EF Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3c(F)cnc(Cl)c3[nH]2)C1=O ZINC000587038466 EF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3c(F)cnc(Cl)c3[nH]2)C1=O ZINC000587038467 EF Annotated Mild CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c(Cl)ncnc2[nH]1 ZINC000587038611 EF Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2nc(Cl)c[nH]c-2n1 ZINC000587038647 EF Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2ncc(F)cc2[nH]1 ZINC000587038894 EF Annotated Anodyne COc1cncc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc12 ZINC000587039044 EF Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cc(OC)c(C)cc3[nH]2)C1=O ZINC000587039105 EF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(OC)c(C)cc3[nH]2)C1=O ZINC000587039106 EF Annotated Mild NS(=O)(=O)c1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1 ZINC000587039115 EF Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1 ZINC000587039122 EF Annotated Anodyne CN(C)C(=O)c1ccc2nc(Cc3csc4nccn34)[nH]c2c1 ZINC000587039209 EF Annotated Anodyne COc1cncc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587039278 EF Annotated Anodyne COc1cncc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587039279 EF Annotated Anodyne COc1cncc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587039281 EF Annotated Anodyne COc1cncc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587039283 EF Annotated Anodyne CN(C)CCOc1ccc2nc(Cc3csc4nccn34)[nH]c2c1 ZINC000587039402 EF Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cc(F)c(F)c(F)c3[nH]2)C1=O ZINC000587039493 EF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(F)c(F)c(F)c3[nH]2)C1=O ZINC000587039494 EF Annotated Mild COc1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587039729 EF Annotated Anodyne COc1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587039730 EF Annotated Anodyne COc1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587039732 EF Annotated Anodyne COc1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587039733 EF Annotated Anodyne Clc1c[nH]c2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)nc-2n1 ZINC000587039830 EF Annotated Anodyne Clc1c[nH]c2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc-2n1 ZINC000587039831 EF Annotated Anodyne Clc1c[nH]c2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)nc-2n1 ZINC000587039832 EF Annotated Anodyne Clc1c[nH]c2nc([C@H]3CS[C@H](Cc4ccccc4)N3)nc-2n1 ZINC000587039833 EF Annotated Anodyne COC(=O)c1ccc2nc(Cc3csc4nccn34)[nH]c2c1OC ZINC000587039841 EF Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cc(C#N)cc(Cl)c3[nH]2)C1=O ZINC000587039868 EF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(C#N)cc(Cl)c3[nH]2)C1=O ZINC000587039869 EF Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(C(C)=O)cc3[nH]2)C1=O ZINC000587039915 EF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(C(C)=O)cc3[nH]2)C1=O ZINC000587039917 EF Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)C1=O ZINC000587039941 EF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)C1=O ZINC000587039945 EF Annotated Mild CCS(=O)(=O)c1ccc2nc(Cc3csc4nccn34)[nH]c2c1 ZINC000587039960 EF Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(N)c(N)cc2[nH]1 ZINC000587040105 EF Annotated Anodyne Nc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1N ZINC000587040225 EF Annotated Anodyne Nc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1N ZINC000587040227 EF Annotated Anodyne Nc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1N ZINC000587040229 EF Annotated Anodyne Nc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1N ZINC000587040230 EF Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587040354 EF Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cc3csc4nccn34)[nH]c2c1 ZINC000587040379 EF Annotated Anodyne O=[N+]([O-])c1cc2nc(Cc3csc4nccn34)[nH]c2cc1[N+](=O)[O-] ZINC000587040433 EF Annotated Bother COc1nccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587040524 EF Annotated Anodyne COc1nccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587040526 EF Annotated Anodyne COc1nccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587040527 EF Annotated Anodyne COc1nccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587040529 EF Annotated Anodyne COc1cncc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587040650 EF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587040697 EF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587040699 EF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587040788 EF Annotated Mild CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587040789 EF Annotated Mild CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587040790 EF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587040793 EF Annotated Anodyne COC(=O)c1cc2[nH]c(Cc3csc4nccn34)nc2cc1OC ZINC000587040841 EF Annotated Anodyne O=[N+]([O-])c1cncc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587040980 EF Annotated Bother O=[N+]([O-])c1cncc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587040981 EF Annotated Bother O=[N+]([O-])c1cncc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 ZINC000587040982 EF Annotated Bother O=[N+]([O-])c1cncc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 ZINC000587040983 EF Annotated Bother COc1cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587040999 EF Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cnc(Cl)[nH]c-2n1 ZINC000587041008 EF Annotated Anodyne COc1nccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587041031 EF Annotated Anodyne COc1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2n1 ZINC000587041080 EF Annotated Anodyne Nc1ccnc2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc12 ZINC000587041138 EF Annotated Anodyne Nc1ccnc2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc12 ZINC000587041139 EF Annotated Anodyne COC(=O)c1cccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c12 ZINC000587041311 EF Annotated Anodyne COC(=O)c1cccc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c12 ZINC000587041313 EF Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cncnc2[nH]1 ZINC000587041482 EF Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cncnc2[nH]1 ZINC000587041491 EF Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(N)c(N)cc2[nH]1 ZINC000587041587 EF Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(C(=N)N)cc2[nH]1 ZINC000587041602 EF Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587041707 EF Annotated Bother O=[N+]([O-])c1cnc2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587041708 EF Annotated Bother O=[N+]([O-])c1cnc2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587041709 EF Annotated Bother O=[N+]([O-])c1cnc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587041710 EF Annotated Bother Clc1ncc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)nc-2[nH]1 ZINC000587041711 EF Annotated Anodyne Clc1ncc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)nc-2[nH]1 ZINC000587041712 EF Annotated Anodyne Clc1ncc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc-2[nH]1 ZINC000587041713 EF Annotated Anodyne Clc1ncc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)nc-2[nH]1 ZINC000587041714 EF Annotated Anodyne N=c1[nH]ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 ZINC000587041815 EF Annotated Anodyne N=c1[nH]ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 ZINC000587041816 EF Annotated Anodyne O=C1CSC[C@@H](c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)N1 ZINC000587042160 EF Annotated Anodyne O=C1CSC[C@H](c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)N1 ZINC000587042161 EF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587042241 EF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587042245 EF Annotated Anodyne O=C1CSc2ccc(-c3nc4c(S)nc(S)nc4[nH]3)cc2N1 ZINC000587042269 EF Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2c1 ZINC000587042291 EF Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2c1 ZINC000587042292 EF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587042510 EF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587042511 EF Annotated Anodyne O=C1CSC[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)N1 ZINC000587042576 EF Annotated Bother O=C1CSC[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)N1 ZINC000587042577 EF Annotated Bother O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ncc[nH]c-2n1 ZINC000587042741 EF Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ncc[nH]c-2n1 ZINC000587042747 EF Annotated Anodyne Nc1ncnc2[nH]c(COc3ccccc3C3SCCS3)nc12 ZINC000587042864 EF Annotated Anodyne N=c1cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c[nH]1 ZINC000587043174 EF Annotated Anodyne N=c1cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c[nH]1 ZINC000587043175 EF Annotated Anodyne O=C1CSc2ccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)cc2N1 ZINC000587043223 EF Annotated Anodyne O=C1CSC[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)N1 ZINC000587043241 EF Annotated Anodyne O=C1CSC[C@@H](c2nc3cc(Cl)cc(Br)c3[nH]2)N1 ZINC000587043242 EF Annotated Anodyne Clc1ncnc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc12 ZINC000587043266 EF Annotated Anodyne Clc1ncnc2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc12 ZINC000587043268 EF Annotated Anodyne Clc1ncnc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc12 ZINC000587043270 EF Annotated Anodyne Clc1ncnc2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc12 ZINC000587043271 EF Annotated Anodyne O=C1CSC[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)N1 ZINC000587043309 EF Annotated Anodyne O=C1CSC[C@@H](c2nc3cc(Br)cc(Cl)c3[nH]2)N1 ZINC000587043311 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H]3Cc4ccccc4S3)[nH]c12 ZINC000587043371 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3Cc4ccccc4S3)[nH]c12 ZINC000587043374 EF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587043400 EF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587043401 EF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587043402 EF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587043403 EF Annotated Anodyne Nc1ccc(Oc2ccc3nc([C@@H]4CSCC(=O)N4)[nH]c3c2)cc1 ZINC000587043413 EF Annotated Clean Nc1ccc(Oc2ccc3nc([C@H]4CSCC(=O)N4)[nH]c3c2)cc1 ZINC000587043416 EF Annotated Clean Cc1c(Br)cc2nc([C@@H]3CSCC(=O)N3)[nH]c2c1C ZINC000587043420 EF Annotated Anodyne O=C1CSC[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)N1 ZINC000587043456 EF Annotated Bother O=C1CSC[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)N1 ZINC000587043457 EF Annotated Bother COc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cn1 ZINC000587043520 EF Annotated Anodyne COc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cn1 ZINC000587043521 EF Annotated Anodyne COc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cn1 ZINC000587043523 EF Annotated Anodyne COc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cn1 ZINC000587043525 EF Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cnncc2[nH]1 ZINC000587043533 EF Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cnncc2[nH]1 ZINC000587043535 EF Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccnc(O)c2[nH]1 ZINC000587043614 EF Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccnc(O)c2[nH]1 ZINC000587043615 EF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(CCO)cc2[nH]1 ZINC000587043676 EF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(CCO)cc2[nH]1 ZINC000587043677 EF Annotated Anodyne Cc1c(Br)cc2nc([C@H]3CSCC(=O)N3)[nH]c2c1C ZINC000587043724 EF Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H]3CSCC(=O)N3)nc2c1 ZINC000587043867 EF Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H]3CSCC(=O)N3)nc2c1 ZINC000587043884 EF Annotated Anodyne Cc1cc2nc([C@@H]3CSCC(=O)N3)[nH]c2cc1Br ZINC000587043905 EF Annotated Anodyne Cc1cc2nc([C@H]3CSCC(=O)N3)[nH]c2cc1Br ZINC000587043906 EF Annotated Anodyne Cc1c(Br)ccc2nc([C@H]3CSCC(=O)N3)[nH]c12 ZINC000587043920 EF Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3CSCC(=O)N3)[nH]c12 ZINC000587043921 EF Annotated Anodyne COC(=O)c1ccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 ZINC000587043944 EF Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 ZINC000587043945 EF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2nc(Cl)c[nH]c-2n1 ZINC000587043950 EF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2nc(Cl)c[nH]c-2n1 ZINC000587043951 EF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587043988 EF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587043989 EF Annotated Anodyne O=C1CSc2ccc(-c3nc4cccc(C(=O)O)c4[nH]3)cc2N1 ZINC000587044134 EF Annotated Anodyne N=c1[nH]cc2nc(COc3ccccc3C3SCCS3)nc-2[nH]1 ZINC000587044167 EF Annotated Anodyne O=C1CSc2ccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)cc2N1 ZINC000587044219 EF Annotated Bother CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2c(Cl)ncnc2[nH]1 ZINC000587044278 EF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2c(Cl)ncnc2[nH]1 ZINC000587044279 EF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cnc(Cl)[nH]c-2n1 ZINC000587044306 EF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cnc(Cl)[nH]c-2n1 ZINC000587044307 EF Annotated Anodyne O=C1CSc2ccc(-c3nc4ccc(CCO)cc4[nH]3)cc2N1 ZINC000587044370 EF Annotated Anodyne O=C1CSC[C@@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)N1 ZINC000587044402 EF Annotated Anodyne O=C1CSC[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)N1 ZINC000587044407 EF Annotated Anodyne O=C1CSc2ccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)cc2N1 ZINC000587044454 EF Annotated Bother Cc1cc(Br)cc2nc([C@H]3CSCC(=O)N3)[nH]c12 ZINC000587044604 EF Annotated Anodyne Cc1cc(Br)cc2nc([C@@H]3CSCC(=O)N3)[nH]c12 ZINC000587044605 EF Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(N)ncnc2[nH]1 ZINC000587044825 EF Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587044891 EF Annotated Anodyne COc1cc(-c2nc3c(S)nc(S)nc3[nH]2)cc(Cl)c1O ZINC000587045879 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(Cl)c(O)c(OC)c3)nc12 ZINC000587045941 EF Annotated Anodyne COc1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc(Cl)c1O ZINC000587046189 EF Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(Cl)c(O)c(OC)c3)[nH]c2n1 ZINC000587046604 EF Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587051305 EF Annotated Anodyne N#Cc1cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2cc1C#N ZINC000587051374 EF Annotated Mild N[C@@H](N=O)c1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1 ZINC000587051499 EF Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587051506 EF Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587052360 EF Annotated Anodyne COC(=O)c1cccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c12 ZINC000587052375 EF Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(CCO)cc2[nH]1 ZINC000587052433 EF Annotated Anodyne N=c1nc(O)c2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2[nH]1 ZINC000587052495 EF Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587052543 EF Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587052581 EF Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587052608 EF Annotated Anodyne CCc1cc(OCc2nc3nc(C#N)c(C#N)nc3[nH]2)ccc1Cl ZINC000587052668 EF Annotated Mild Oc1nc(O)c2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2n1 ZINC000587052942 EF Annotated Anodyne CCc1cc(OCc2nc3ccc(C(=O)NN)cc3[nH]2)ccc1Cl ZINC000587052961 EF Annotated Reactive COC(=O)c1cc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2cn1 ZINC000587055488 EF Annotated Anodyne COC(=O)c1cc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2cn1 ZINC000587055489 EF Annotated Anodyne O[C@@H](c1nc2nc(Br)c[nH]c-2n1)c1ccccc1Cl ZINC000587057700 EF Annotated Anodyne O[C@H](c1nc2nc(Br)c[nH]c-2n1)c1ccccc1Cl ZINC000587057703 EF Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587058036 EF Annotated Anodyne N[C@H](Cc1nc2c(S)nc(S)nc2[nH]1)c1ccccc1Cl ZINC000587058745 EF Annotated Anodyne N[C@@H](Cc1nc2c(S)nc(S)nc2[nH]1)c1ccccc1Cl ZINC000587058746 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c(C[C@@H](N)c3ccccc3Cl)nc12 ZINC000587058828 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c(C[C@H](N)c3ccccc3Cl)nc12 ZINC000587058830 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc(CCc3ccccc3Cl)[nH]c12 ZINC000587058879 EF Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587059061 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](N)Cc3ccccc3Cl)nc12 ZINC000587059102 EF Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H](O)c3ccccc3Cl)[nH]c2c1 ZINC000587059316 EF Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@H](O)c3ccccc3Cl)[nH]c2c1 ZINC000587059317 EF Annotated Anodyne COC(=O)c1cc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2cn1 ZINC000587059326 EF Annotated Anodyne COC(=O)c1ccc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2n1 ZINC000587059458 EF Annotated Anodyne COC(=O)c1ccc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2n1 ZINC000587059459 EF Annotated Anodyne N[C@H](Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1ccccc1Cl ZINC000587059472 EF Annotated Anodyne N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1ccccc1Cl ZINC000587059473 EF Annotated Anodyne COC(=O)c1ccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2n1 ZINC000587059597 EF Annotated Anodyne O=C1COc2cc3[nH]c([C@@H](O)c4ccccc4Cl)nc3cc2N1 ZINC000587060046 EF Annotated Anodyne O=C1COc2cc3[nH]c([C@H](O)c4ccccc4Cl)nc3cc2N1 ZINC000587060047 EF Annotated Anodyne N=c1nc(-c2ccccc2Cl)c(-c2nc3c(N)ccnc3[nH]2)c[nH]1 ZINC000587060382 EF Annotated Anodyne N=c1nc(-c2ccccc2Cl)c(-c2nc3cc[nH]c(=N)c3[nH]2)c[nH]1 ZINC000587061244 EF Annotated Anodyne N=c1cc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2c[nH]1 ZINC000587061254 EF Annotated Anodyne N=c1nc(-c2ccccc2Cl)c(-c2nc3ccnc(O)c3[nH]2)c[nH]1 ZINC000587061753 EF Annotated Anodyne Oc1nc(O)c2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2n1 ZINC000587061810 EF Annotated Anodyne Clc1ccccc1NCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587062245 EF Annotated Anodyne COc1cnc(-c2nc3nc(Br)c[nH]c-3n2)cc1Cl ZINC000587064676 EF Annotated Anodyne COc1cnc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc1Cl ZINC000587065045 EF Annotated Anodyne Cc1nn(-c2cccc(-c3nc4c[nH]c(=N)[nH]c-4n3)c2)c(C)c1Cl ZINC000587065080 EF Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(N)c(N)cc2[nH]1 ZINC000587065297 EF Annotated Anodyne CCOc1n[nH]c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1Cl ZINC000587065472 EF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ncccc3Cl)[nH]c12 ZINC000587065502 EF Annotated Anodyne CCOc1n[nH]c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1Cl ZINC000587065551 EF Annotated Anodyne CCOc1n[nH]c(-c2nc3nc(Br)c[nH]c-3n2)c1Cl ZINC000587065595 EF Annotated Anodyne COc1cnc(-c2nc3c(S)nc(S)nc3[nH]2)cc1Cl ZINC000587065644 EF Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1Cl ZINC000587065664 EF Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(O)nc(=N)[nH]c2[nH]1 ZINC000587065837 EF Annotated Anodyne COc1cc(Cl)ccc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587065955 EF Annotated Anodyne CNc1cc(Cl)ccc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587065989 EF Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2c(O)nc(O)nc2[nH]1 ZINC000587066107 EF Annotated Anodyne COc1cc(Cl)ccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587066228 EF Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccnc(O)c2[nH]1 ZINC000587066496 EF Annotated Anodyne CNc1cc(Cl)ccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587067044 EF Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587067356 EF Annotated Mild COc1cc(Cl)cc(C=O)c1OCc1nc2c(N)ccnc2[nH]1 ZINC000587067385 EF Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587067389 EF Annotated Mild N#Cc1nc2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc-2[nH]c1C#N ZINC000587068737 EF Annotated Mild COC(=O)c1ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2n1 ZINC000587068752 EF Annotated Anodyne COC(=O)c1ccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2n1 ZINC000587068756 EF Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587069282 EF Annotated Bother NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587069283 EF Annotated Bother C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587069364 EF Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587069365 EF Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587069902 EF Annotated Bother NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587069904 EF Annotated Bother COC(=O)c1cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2cn1 ZINC000587070554 EF Annotated Anodyne COC(=O)c1cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2cn1 ZINC000587070555 EF Annotated Anodyne O=C1COc2cc3nc(C(=O)Cc4ccc(Cl)cc4)[nH]c3cc2N1 ZINC000587070580 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](CN)Cc3ccc(Cl)cc3)nc12 ZINC000587070597 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](CN)Cc3ccc(Cl)cc3)nc12 ZINC000587070598 EF Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(O)nc(=N)[nH]c2[nH]1 ZINC000587070707 EF Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(O)nc(=N)[nH]c2[nH]1 ZINC000587070708 EF Annotated Anodyne COC(=O)c1cc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2cn1 ZINC000587071965 EF Annotated Anodyne COC(=O)c1ccc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2n1 ZINC000587072670 EF Annotated Anodyne Cc1c(-c2nc3cc[nH]c(=N)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073106 EF Annotated Anodyne Cc1c(-c2nc3cc(=N)[nH]cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073131 EF Annotated Anodyne Cc1c(-c2nc3c(N)ccnc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073461 EF Annotated Anodyne Cc1c(-c2nc3cnncc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074075 EF Annotated Anodyne Cc1c(-c2nc3cncnc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074076 EF Annotated Anodyne Cc1c(-c2nc3ncc[nH]c-3n2)nnn1Cc1ccc(Cl)cc1 ZINC000587074723 EF Annotated Anodyne Cc1c(-c2nc3ccnc(O)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074738 EF Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 ZINC000587074934 EF Annotated Bother Clc1ccc(-c2nnc(CCc3nc4cnncc4[nH]3)o2)cc1 ZINC000587074978 EF Annotated Anodyne Nc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1N ZINC000587075008 EF Annotated Anodyne COc1nccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 ZINC000587075013 EF Annotated Anodyne Cc1c(-c2nc3c(O)ncnc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075163 EF Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c(O)ncnc2[nH]1 ZINC000587075184 EF Annotated Anodyne Cc1c(-c2nc3c[nH]c(=N)[nH]c-3n2)cnn1-c1ccc(Cl)cc1 ZINC000587075193 EF Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587075196 EF Annotated Anodyne Clc1ccc(-n2cc(-c3nc4cnc(Cl)[nH]c-4n3)nn2)cc1 ZINC000587075313 EF Annotated Anodyne COc1cncc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 ZINC000587075338 EF Annotated Anodyne Clc1ccc(-n2cc(-c3nc4c(Cl)ncnc4[nH]3)nn2)cc1 ZINC000587075409 EF Annotated Anodyne COc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cn1 ZINC000587075434 EF Annotated Anodyne Cc1c(-c2nc3cnnc(O)c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075549 EF Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000587075582 EF Annotated Anodyne Oc1ncnc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc12 ZINC000587075585 EF Annotated Anodyne N=c1nc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2c[nH]1 ZINC000587075921 EF Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c(N)ncnc2[nH]1 ZINC000587076005 EF Annotated Anodyne N=c1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c[nH]1 ZINC000587076089 EF Annotated Anodyne Clc1ccc(-c2nnc(CCc3nc4ncc[nH]c-4n3)o2)cc1 ZINC000587076161 EF Annotated Anodyne Clc1ccc(-c2nnc(CCc3nc4cncnc4[nH]3)o2)cc1 ZINC000587076162 EF Annotated Anodyne N=c1[nH]ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 ZINC000587076176 EF Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cnnc(O)c2[nH]1 ZINC000587076251 EF Annotated Anodyne Cc1c(-c2nc3c(O)nc(O)nc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076269 EF Annotated Anodyne OCc1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 ZINC000587076413 EF Annotated Anodyne Clc1ccc(-n2cc(-c3nc4nc(Cl)c[nH]c-4n3)nn2)cc1 ZINC000587076426 EF Annotated Anodyne Oc1nncc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 ZINC000587076487 EF Annotated Anodyne Cc1c(-c2nc3c(N)ncnc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076513 EF Annotated Anodyne Nc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1N ZINC000587076752 EF Annotated Anodyne Nc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1N ZINC000587076753 EF Annotated Anodyne N=c1nc(O)c2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2[nH]1 ZINC000587076806 EF Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2c1 ZINC000587076812 EF Annotated Bother COc1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2n1 ZINC000587076828 EF Annotated Anodyne OCCc1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 ZINC000587076875 EF Annotated Anodyne N=c1[nH]c2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc-2c(Cl)[nH]1 ZINC000587076960 EF Annotated Anodyne N=c1[nH]c2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc-2c(Cl)[nH]1 ZINC000587076961 EF Annotated Anodyne Nc1ncnc2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc12 ZINC000587077110 EF Annotated Anodyne Nc1ncnc2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc12 ZINC000587077116 EF Annotated Anodyne Oc1nc(O)c2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2n1 ZINC000587077326 EF Annotated Anodyne Oc1nc(O)c2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2n1 ZINC000587077328 EF Annotated Anodyne Oc1nc(S)nc2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc12 ZINC000587077566 EF Annotated Anodyne Oc1nc(S)nc2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc12 ZINC000587077567 EF Annotated Anodyne N=c1[nH]cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)nc-2[nH]1 ZINC000587077681 EF Annotated Anodyne N=c1[nH]cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc-2[nH]1 ZINC000587077682 EF Annotated Anodyne C[C@H](c1nc2ccc(OCCN(C)C)cc2[nH]1)n1cc(Cl)cn1 ZINC000587078928 EF Annotated Anodyne C[C@@H](c1nc2ccc(OCCN(C)C)cc2[nH]1)n1cc(Cl)cn1 ZINC000587078931 EF Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](C)n3cc(Cl)cn3)nc2cc1OC ZINC000587079031 EF Annotated Anodyne N=c1[nH]ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 ZINC000587079032 EF Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](C)n3cc(Cl)cn3)nc2cc1OC ZINC000587079033 EF Annotated Anodyne N=c1[nH]ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 ZINC000587079035 EF Annotated Anodyne Nc1ccnc2[nH]c([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc12 ZINC000587079301 EF Annotated Anodyne Nc1ccnc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc12 ZINC000587079304 EF Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3nc(C#N)c(C#N)nc3[nH]2)n1 ZINC000587079775 EF Annotated Mild CC[C@H](C)n1cc(Cl)c(-c2nc3nc(C#N)c(C#N)nc3[nH]2)n1 ZINC000587079781 EF Annotated Mild Clc1ccc2c(c1)C[C@@H](c1nc3ccc(-n4cnnn4)cc3[nH]1)O2 ZINC000587079892 EF Annotated Anodyne Clc1ccc2c(c1)C[C@H](c1nc3ccc(-n4cnnn4)cc3[nH]1)O2 ZINC000587079893 EF Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 ZINC000587080042 EF Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 ZINC000587080043 EF Annotated Anodyne C[C@H](c1nc2nc(Br)c[nH]c-2n1)n1cc(Cl)cn1 ZINC000587080108 EF Annotated Anodyne C[C@@H](c1nc2nc(Br)c[nH]c-2n1)n1cc(Cl)cn1 ZINC000587080109 EF Annotated Anodyne N#Cc1nc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2nc1C#N ZINC000587080281 EF Annotated Mild NC(=O)c1cccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c12 ZINC000587080477 EF Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3nc(=N)[nH]c(Cl)c3[nH]2)n1 ZINC000587080834 EF Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3nc(=N)[nH]c(Cl)c3[nH]2)n1 ZINC000587080835 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 ZINC000587081101 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 ZINC000587081102 EF Annotated Anodyne N=c1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c[nH]1 ZINC000587081208 EF Annotated Anodyne N=c1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c[nH]1 ZINC000587081209 EF Annotated Anodyne C[C@@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)n1cc(Cl)cn1 ZINC000587081518 EF Annotated Bother C[C@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)n1cc(Cl)cn1 ZINC000587081519 EF Annotated Bother Clc1cnn(COc2cccc(-c3nc4cncnc4[nH]3)c2)c1 ZINC000587081527 EF Annotated Anodyne N=c1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c[nH]1 ZINC000587081631 EF Annotated Anodyne O=C(CCCc1nc2c(O)nc(S)nc2[nH]1)c1ccc(Cl)cn1 ZINC000587081659 EF Annotated Anodyne C[C@H](c1nc2ccc(CN3CCOCC3)cc2[nH]1)n1cc(Cl)cn1 ZINC000587081783 EF Annotated Anodyne C[C@@H](c1nc2ccc(CN3CCOCC3)cc2[nH]1)n1cc(Cl)cn1 ZINC000587081785 EF Annotated Anodyne Nc1cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2cc1N ZINC000587081814 EF Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)n3cc(Cl)cn3)[nH]c2c1OC ZINC000587082147 EF Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)n3cc(Cl)cn3)[nH]c2c1OC ZINC000587082148 EF Annotated Anodyne Oc1nncc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 ZINC000587082305 EF Annotated Anodyne Clc1cnn(COc2cccc(-c3nc4ncc[nH]c-4n3)c2)c1 ZINC000587082559 EF Annotated Anodyne N=c1[nH]ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 ZINC000587082585 EF Annotated Anodyne Clc1cnn(COc2cccc(-c3nc4cnncc4[nH]3)c2)c1 ZINC000587082871 EF Annotated Anodyne Oc1ncnc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc12 ZINC000587082931 EF Annotated Anodyne N=c1nc(O)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2[nH]1 ZINC000587083107 EF Annotated Anodyne N=c1nc(O)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2[nH]1 ZINC000587083800 EF Annotated Anodyne COc1ccc(-c2nc3nc(Br)c[nH]c-3n2)c(Cl)n1 ZINC000587083807 EF Annotated Anodyne COc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)c(Cl)n1 ZINC000587084055 EF Annotated Anodyne COc1ccc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(Cl)n1 ZINC000587084085 EF Annotated Anodyne COC(=O)c1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cn1 ZINC000587084138 EF Annotated Anodyne COC(=O)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2n1 ZINC000587084163 EF Annotated Anodyne Clc1cccc(C2(c3nc4ccc(-n5cnnn5)cc4[nH]3)CC2)n1 ZINC000587084231 EF Annotated Anodyne Clc1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)nc1Cl ZINC000587084237 EF Annotated Anodyne COc1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cn1 ZINC000587084384 EF Annotated Anodyne COc1cncc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587084547 EF Annotated Anodyne N#Cc1nc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2nc1C#N ZINC000587084561 EF Annotated Mild COc1nccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587084627 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c(C3(c4cccc(Cl)n4)CC3)nc12 ZINC000587084774 EF Annotated Anodyne OCc1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 ZINC000587084787 EF Annotated Anodyne NS(=O)(=O)c1cccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc12 ZINC000587085086 EF Annotated Anodyne COc1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2n1 ZINC000587085134 EF Annotated Anodyne N#Cc1nc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2nc1C#N ZINC000587085224 EF Annotated Mild Fc1cnc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 ZINC000587085472 EF Annotated Anodyne N#Cc1nc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2nc1C#N ZINC000587085696 EF Annotated Mild Fc1cnc(Br)c2[nH]c(-c3cnc(Cl)nc3)nc12 ZINC000587085810 EF Annotated Anodyne O=S(=O)(O)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 ZINC000587085895 EF Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587086002 EF Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587086022 EF Annotated Bother Nc1ncc(Cl)nc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587086290 EF Annotated Anodyne Cc1nc2[nH]c(-c3nc(Cl)cnc3N)nc2cc1Br ZINC000587086369 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](Br)C(C)(C)F)nc12 ZINC000587086543 EF Annotated Reactive COC(=O)c1ccnc2[nH]c([C@H](Br)C(C)(C)F)nc12 ZINC000587086544 EF Annotated Reactive COc1cc2nc(C(F)(Br)Br)[nH]c2cn1 ZINC000587086715 EF Annotated Anodyne Nc1cc2nc(C(F)(Br)Br)[nH]c2cc1N ZINC000587086831 EF Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587086877 EF Annotated Anodyne COC(=O)c1cc2nc([C@@H](Br)C(C)(C)F)[nH]c2cn1 ZINC000587086900 EF Annotated Reactive COC(=O)c1cc2nc([C@H](Br)C(C)(C)F)[nH]c2cn1 ZINC000587086901 EF Annotated Reactive FC(F)=C(C[C@@H]1CCCN1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587087138 EF Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587087140 EF Annotated Anodyne FC(Br)(Br)c1nc2c(Cl)ncnc2[nH]1 ZINC000587087265 EF Annotated Anodyne COC(=O)c1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2n1 ZINC000587087409 EF Annotated Reactive COC(=O)c1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2n1 ZINC000587087410 EF Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587087488 EF Annotated Reactive CC(C)(F)[C@H](Br)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587087494 EF Annotated Reactive FC(Br)(Br)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587087602 EF Annotated Anodyne Oc1nc(O)c2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2n1 ZINC000587087632 EF Annotated Anodyne OCc1ccc2nc(C(F)(Br)Br)[nH]c2c1 ZINC000587087798 EF Annotated Anodyne COc1ccc2nc(C(F)(Br)Br)[nH]c2n1 ZINC000587087802 EF Annotated Anodyne COc1cncc2nc(C(F)(Br)Br)[nH]c12 ZINC000587087820 EF Annotated Anodyne Fc1cnc2[nH]c(C(F)(Br)Br)nc2c1 ZINC000587087826 EF Annotated Anodyne COc1nccc2nc(C(F)(Br)Br)[nH]c12 ZINC000587087963 EF Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3nc(Cl)cnc3N)nc2c1 ZINC000587088120 EF Annotated Mild Nc1ncc(Cl)nc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587088140 EF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3nc(Cl)cnc3N)nc2c1 ZINC000587088174 EF Annotated Anodyne O=S(=O)(O)c1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1 ZINC000587088185 EF Annotated Anodyne O=S(=O)(O)c1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1 ZINC000587088193 EF Annotated Anodyne FC(Br)(Br)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587088372 EF Annotated Anodyne FC(F)=C(C[C@H]1CCCN1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587088554 EF Annotated Anodyne FC(F)=C(C[C@@H]1CCCN1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587088557 EF Annotated Anodyne FC(F)C(F)(F)c1nc2cc(I)cnc2[nH]1 ZINC000587088946 EF Annotated Anodyne O=C1COc2cc3[nH]c(C(C[C@H]4CCCN4)=C(F)F)nc3cc2N1 ZINC000587089200 EF Annotated Anodyne O=C1COc2cc3[nH]c(C(C[C@@H]4CCCN4)=C(F)F)nc3cc2N1 ZINC000587089201 EF Annotated Anodyne FC(F)(c1ccccn1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587089249 EF Annotated Anodyne CC1=C(c2ccc3nc(C(F)(F)C(F)F)[nH]c3c2)NNC(=O)C1 ZINC000587089265 EF Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(C(F)(F)C(F)F)nc-2[nH]1 ZINC000587089546 EF Annotated Anodyne FC(F)(F)[C@](F)(Cl)c1nc2nc(Br)c[nH]c-2n1 ZINC000587090015 EF Annotated Anodyne FC(F)(F)[C@@](F)(Cl)c1nc2nc(Br)c[nH]c-2n1 ZINC000587090016 EF Annotated Anodyne COC(=O)c1ccc2nc(C(F)(F)c3ccccn3)[nH]c2c1OC ZINC000587090142 EF Annotated Anodyne O=[N+]([O-])c1cc2nc(C(F)(F)c3ccccn3)[nH]c2cc1[N+](=O)[O-] ZINC000587090312 EF Annotated Bother COC(=O)c1cc2[nH]c(C(F)(F)c3ccccn3)nc2cc1OC ZINC000587090598 EF Annotated Anodyne FC(F)(c1ccccn1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587090776 EF Annotated Anodyne Cc1cnc2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc2c1 ZINC000587090967 EF Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccc(Cl)nc3[nH]2)nn1CC(F)(F)F ZINC000587091092 EF Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccc(O)cc3[nH]2)nn1CC(F)(F)F ZINC000587091145 EF Annotated Bother Cc1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2n1 ZINC000587091286 EF Annotated Bother Cc1cncc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 ZINC000587091309 EF Annotated Bother N#Cc1cccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 ZINC000587091362 EF Annotated Mild N#Cc1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 ZINC000587091502 EF Annotated Mild O=[N+]([O-])c1cc(-c2nc3c(Cl)ccnc3[nH]2)nn1CC(F)(F)F ZINC000587091533 EF Annotated Bother O=[N+]([O-])c1cnc2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc2c1 ZINC000587091590 EF Annotated Bother CCOc1ccccc1[C@](N)(c1nc2cnncc2[nH]1)C(F)(F)F ZINC000587091611 EF Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cnncc2[nH]1)C(F)(F)F ZINC000587091616 EF Annotated Anodyne COC(=O)c1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cn1 ZINC000587091746 EF Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c12 ZINC000587091765 EF Annotated Bother O=[N+]([O-])c1cc(-c2nc3cncc(Cl)c3[nH]2)nn1CC(F)(F)F ZINC000587091776 EF Annotated Bother FC(F)(F)COc1cc(-c2nc3cnc(Cl)[nH]c-3n2)ccn1 ZINC000587091984 EF Annotated Anodyne FC(F)(F)COc1cc(-c2nc3nc(Cl)c[nH]c-3n2)ccn1 ZINC000587091993 EF Annotated Anodyne FC(F)(F)CCc1ocnc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587092019 EF Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccnc(Cl)c3[nH]2)nn1CC(F)(F)F ZINC000587092082 EF Annotated Bother N=c1[nH]c2nc(-c3ncoc3CCC(F)(F)F)nc-2c(Cl)[nH]1 ZINC000587092125 EF Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(Cl)cnc3[nH]2)nn1CC(F)(F)F ZINC000587092180 EF Annotated Bother Oc1ncnc2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc12 ZINC000587092274 EF Annotated Anodyne COC(=O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2n1 ZINC000587092424 EF Annotated Anodyne COc1cccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 ZINC000587092433 EF Annotated Bother O=[N+]([O-])c1cc(-c2nc3cc(Cl)ncc3[nH]2)nn1CC(F)(F)F ZINC000587092548 EF Annotated Bother O=[N+]([O-])c1cc(-c2nc3cccc(O)c3[nH]2)nn1CC(F)(F)F ZINC000587092574 EF Annotated Bother Cc1ccnc2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc12 ZINC000587092625 EF Annotated Bother Nc1ncnc2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc12 ZINC000587092819 EF Annotated Anodyne Cc1nccc2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc12 ZINC000587093068 EF Annotated Bother C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587093082 EF Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587093083 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ncoc3CCC(F)(F)F)nc12 ZINC000587093089 EF Annotated Anodyne Cc1cc2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc2c(C)n1 ZINC000587093150 EF Annotated Bother Cc1csc([C@](O)(Cc2nc3cccnc3[nH]2)C(F)(F)F)n1 ZINC000587093429 EF Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cccnc3[nH]2)C(F)(F)F)n1 ZINC000587093440 EF Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cncnc2[nH]1)C(F)(F)F ZINC000587093451 EF Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cncnc2[nH]1)C(F)(F)F ZINC000587093452 EF Annotated Anodyne Oc1nncc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 ZINC000587093743 EF Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587093880 EF Annotated Bother C[C@H](NC(=O)CC(F)(F)F)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587093883 EF Annotated Bother CC1=C(c2ccc3nc([C@H]4C[C@@H]4C(F)(F)F)[nH]c3c2)NNC(=O)C1 ZINC000587093991 EF Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cnccc3[nH]2)C(F)(F)F)n1 ZINC000587094030 EF Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cnccc3[nH]2)C(F)(F)F)n1 ZINC000587094031 EF Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](C)NC(=O)CC(F)(F)F)nc2c1 ZINC000587094146 EF Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](C)NC(=O)CC(F)(F)F)nc2c1 ZINC000587094147 EF Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587094276 EF Annotated Mild C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587094277 EF Annotated Mild Cc1csc([C@](O)(Cc2nc3cc(F)cnc3[nH]2)C(F)(F)F)n1 ZINC000587094445 EF Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(F)cnc3[nH]2)C(F)(F)F)n1 ZINC000587094451 EF Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587094692 EF Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587094693 EF Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587094945 EF Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587094946 EF Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587094961 EF Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587094962 EF Annotated Anodyne COc1cc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2cc1OC ZINC000587095167 EF Annotated Anodyne COc1cc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2cc1OC ZINC000587095168 EF Annotated Anodyne Cc1cc2[nH]c([C@@H](C)NC(=O)CC(F)(F)F)nc2cc1[N+](=O)[O-] ZINC000587095239 EF Annotated Bother Cc1cc2[nH]c([C@H](C)NC(=O)CC(F)(F)F)nc2cc1[N+](=O)[O-] ZINC000587095240 EF Annotated Bother CCOC(=O)c1ccc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2c1 ZINC000587095300 EF Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2c1 ZINC000587095302 EF Annotated Anodyne Nc1ccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095543 EF Annotated Anodyne N=c1[nH]c2nc(-c3ccc(N)cc3C(F)(F)F)nc-2c(Cl)[nH]1 ZINC000587095680 EF Annotated Anodyne Nc1ccc(-c2nc3c(O)nc(S)nc3[nH]2)c(C(F)(F)F)c1 ZINC000587095868 EF Annotated Anodyne N#Cc1nc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2nc1C#N ZINC000587096866 EF Annotated Mild COc1ccc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)c(C(F)(F)F)c1 ZINC000587097273 EF Annotated Mild Cc1ccc2c3c(c4c(nc13)CN[C@H](C(=O)O)C4)-c1ccccc1C2=O ZINC000587098074 EF Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CN[C@@H](C(=O)O)C4)-c1ccccc1C2=O ZINC000587098077 EF Annotated Anodyne Cc1ccc2c3c(c(CC(=O)C(=O)O)cnc13)-c1ccccc1C2=O ZINC000587099997 EF Annotated Anodyne C#CCNC(=O)[C@H]1Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587104181 EF Annotated Mild C#CCNC(=O)[C@@H]1Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O ZINC000587104186 EF Annotated Mild COC(=O)C(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587105864 EF Annotated Anodyne NNC(=O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 ZINC000587106607 EF Annotated Reactive COC(=O)[C@@](C)(O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587106613 EF Annotated Anodyne COC(=O)[C@](C)(O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587106617 EF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CN[C@H](C(=O)O)C3 ZINC000587107140 EF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CN[C@@H](C(=O)O)C3 ZINC000587107142 EF Annotated Anodyne N=c1[nH]c2nc(Cc3ccccc3C(F)(F)F)nc-2c(Cl)[nH]1 ZINC000587107202 EF Annotated Anodyne Oc1nc(S)nc2[nH]c(Cc3ccccc3C(F)(F)F)nc12 ZINC000587107367 EF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1[C@@H](C(=O)O)NC[C@H]31 ZINC000587107653 EF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1[C@H](C(=O)O)NC[C@@H]31 ZINC000587107655 EF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]1[C@@H]3CN[C@H]1C(=O)O ZINC000587107657 EF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1[C@@H](C(=O)O)NC[C@@H]31 ZINC000587107658 EF Annotated Anodyne FC(F)(F)c1cccnc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587108613 EF Annotated Anodyne O=C1COc2cc3[nH]c(-c4ncccc4C(F)(F)F)nc3cc2N1 ZINC000587108687 EF Annotated Anodyne N#Cc1nc2nc(Cc3ccccc3C(F)(F)F)[nH]c2nc1C#N ZINC000587109241 EF Annotated Mild N=c1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c[nH]1 ZINC000587109467 EF Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cnnc(O)c2[nH]1 ZINC000587110073 EF Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(O)ncnc2[nH]1 ZINC000587110079 EF Annotated Bother N=c1[nH]ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c12 ZINC000587110115 EF Annotated Bother N#Cc1nc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2nc1C#N ZINC000587110264 EF Annotated Mild Nc1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1N ZINC000587111843 EF Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ncc[nH]c-2n1 ZINC000587111917 EF Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ncc[nH]c-2n1 ZINC000587111924 EF Annotated Anodyne Oc1nc(O)c2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2n1 ZINC000587112599 EF Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4cccnc4[nH]3)n2)cc1 ZINC000587112778 EF Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(O)nc(=N)[nH]c2[nH]1 ZINC000587113081 EF Annotated Anodyne N=c1nc(O)c2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2[nH]1 ZINC000587113082 EF Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(O)nc(=N)[nH]c2[nH]1 ZINC000587113084 EF Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4cnccc4[nH]3)n2)cc1 ZINC000587113304 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587113560 EF Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cnncc2[nH]1 ZINC000587113608 EF Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cnncc2[nH]1 ZINC000587113609 EF Annotated Anodyne N=c1[nH]cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)nc-2[nH]1 ZINC000587113615 EF Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cncnc2[nH]1 ZINC000587114052 EF Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cncnc2[nH]1 ZINC000587114054 EF Annotated Anodyne NC(=O)c1ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587114674 EF Annotated Anodyne FC(F)(F)c1cncc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000587114995 EF Annotated Anodyne Cn1cc(-c2nc3c(S)nc(S)nc3[nH]2)c(C(F)(F)F)c1 ZINC000587115025 EF Annotated Anodyne Cn1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587115194 EF Annotated Anodyne Cn1cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(C(F)(F)F)c1 ZINC000587115691 EF Annotated Anodyne O=C1COc2cc3[nH]c(-c4cncc(C(F)(F)F)c4)nc3cc2N1 ZINC000587115715 EF Annotated Anodyne Nc1ncnc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc12 ZINC000587115797 EF Annotated Anodyne N=c1[nH]ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 ZINC000587115841 EF Annotated Anodyne N=c1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c[nH]1 ZINC000587116028 EF Annotated Anodyne Oc1nncc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 ZINC000587116205 EF Annotated Anodyne Oc1ncnc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc12 ZINC000587116454 EF Annotated Anodyne Cc1cncc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c12 ZINC000587116702 EF Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(F)cnc2[nH]1 ZINC000587116711 EF Annotated Bother Cn1nc(C(F)(F)F)cc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587116754 EF Annotated Anodyne Cc1cnc2[nH]c(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)nc2c1 ZINC000587116760 EF Annotated Bother CN(C)C(=O)c1ccc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2c1 ZINC000587116770 EF Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(N)c(N)cc2[nH]1 ZINC000587116967 EF Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587117285 EF Annotated Mild Cn1nc(C(F)(F)F)cc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587117490 EF Annotated Anodyne O=[N+]([O-])c1cccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 ZINC000587117605 EF Annotated Bother COc1cc(OC)c2[nH]c(-c3cc(C(F)(F)F)nn3C)nc2c1 ZINC000587117775 EF Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587117971 EF Annotated Bother Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587117985 EF Annotated Bother Cn1nc(C(F)(F)F)cc1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587117992 EF Annotated Anodyne Cc1nccc2[nH]c(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)nc12 ZINC000587118061 EF Annotated Bother FC(F)(F)c1ccn(CCc2nc3cc4c(cc3[nH]2)OCCO4)n1 ZINC000587118084 EF Annotated Anodyne COc1cc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2cc1OC ZINC000587118116 EF Annotated Anodyne Oc1nc2cc3nc(CCn4ccc(C(F)(F)F)n4)[nH]c3cc2[nH]1 ZINC000587118325 EF Annotated Anodyne N#Cc1nc(Cl)cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 ZINC000587118334 EF Annotated Mild Cc1ccnc2[nH]c(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)nc12 ZINC000587118362 EF Annotated Bother COC(=O)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 ZINC000587118394 EF Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(O)cc2[nH]1 ZINC000587118399 EF Annotated Bother O=C1CCc2cc3nc(CCn4ccc(C(F)(F)F)n4)[nH]c3cc2N1 ZINC000587118441 EF Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587118477 EF Annotated Anodyne N#Cc1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1C#N ZINC000587118610 EF Annotated Mild O=[N+]([O-])c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 ZINC000587118640 EF Annotated Bother COC(=O)c1cccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 ZINC000587118798 EF Annotated Anodyne O=C(O)c1cc(F)cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 ZINC000587118936 EF Annotated Anodyne Cc1ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2n1 ZINC000587119125 EF Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(O)c2[nH]1 ZINC000587119133 EF Annotated Bother FC(F)(F)c1ccn(Cc2cc(-c3nc4ncccc4[nH]3)no2)n1 ZINC000587119331 EF Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4ccncc4[nH]3)no2)n1 ZINC000587119411 EF Annotated Anodyne Oc1nccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 ZINC000587119511 EF Annotated Anodyne N=c1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c[nH]1 ZINC000587119524 EF Annotated Anodyne N[C@H](N=O)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 ZINC000587119552 EF Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 ZINC000587119554 EF Annotated Anodyne Nc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1N ZINC000587119691 EF Annotated Anodyne N=c1[nH]ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 ZINC000587119843 EF Annotated Anodyne Nc1ccnc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc12 ZINC000587119872 EF Annotated Anodyne N=c1[nH]ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 ZINC000587120955 EF Annotated Anodyne N=c1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c[nH]1 ZINC000587121124 EF Annotated Anodyne Nc1ccnc2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc12 ZINC000587121168 EF Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(COC(F)(F)F)nc-2[nH]1 ZINC000587122699 EF Annotated Anodyne O=S(=O)(c1ccc2nc(COC(F)(F)F)[nH]c2c1)C(F)(F)F ZINC000587122702 EF Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccnc(O)c4[nH]3)cc2N1 ZINC000587122757 EF Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccnc(O)c4[nH]3)cc2N1 ZINC000587122772 EF Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccnc(O)c4[nH]3)cc2N1 ZINC000587122773 EF Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccnc(O)c4[nH]3)cc2N1 ZINC000587122774 EF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](N)[C@@H](C)F)nc2c1 ZINC000587123299 EF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](N)[C@@H](C)F)nc2c1 ZINC000587123302 EF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](N)[C@H](C)F)nc2c1 ZINC000587123305 EF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](N)[C@H](C)F)nc2c1 ZINC000587123308 EF Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(=N)[nH]cc4[nH]3)cc2N1 ZINC000587123790 EF Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(=N)[nH]cc4[nH]3)cc2N1 ZINC000587123798 EF Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(=N)[nH]cc4[nH]3)cc2N1 ZINC000587123800 EF Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(=N)[nH]cc4[nH]3)cc2N1 ZINC000587123801 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c(C3(O)CCC(C(F)(F)F)CC3)nc12 ZINC000587124503 EF Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(N)ccnc4[nH]3)cc2N1 ZINC000587124610 EF Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(N)ccnc4[nH]3)cc2N1 ZINC000587124612 EF Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(N)ccnc4[nH]3)cc2N1 ZINC000587124613 EF Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(N)ccnc4[nH]3)cc2N1 ZINC000587124614 EF Annotated Anodyne N[C@@H](N=O)c1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1 ZINC000587124846 EF Annotated Anodyne N[C@H](N=O)c1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1 ZINC000587124849 EF Annotated Anodyne FC(F)(F)OCc1nc2cc(I)cnc2[nH]1 ZINC000587125140 EF Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(C3(O)CCC(C(F)(F)F)CC3)nc2c1 ZINC000587125375 EF Annotated Bother C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc[nH]c(=N)c4[nH]3)cc2N1 ZINC000587126434 EF Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc[nH]c(=N)c4[nH]3)cc2N1 ZINC000587126437 EF Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc[nH]c(=N)c4[nH]3)cc2N1 ZINC000587126439 EF Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc[nH]c(=N)c4[nH]3)cc2N1 ZINC000587126441 EF Annotated Anodyne Cc1ccnc2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c12 ZINC000587126535 EF Annotated Anodyne Cc1cncc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 ZINC000587126867 EF Annotated Anodyne N=c1[nH]ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 ZINC000587126878 EF Annotated Anodyne O=[N+]([O-])c1cncc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c12 ZINC000587126895 EF Annotated Bother Cc1nccc2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c12 ZINC000587126915 EF Annotated Anodyne Cc1cnc2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2c1 ZINC000587127024 EF Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2cc(O)ccc2[nH]1)C(F)(F)F ZINC000587127025 EF Annotated Anodyne Oc1nncc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 ZINC000587127028 EF Annotated Anodyne COC(=O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2n1 ZINC000587127139 EF Annotated Anodyne Nc1ccnc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c12 ZINC000587127198 EF Annotated Anodyne Cc1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2n1 ZINC000587127220 EF Annotated Anodyne COC(=O)c1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cn1 ZINC000587127259 EF Annotated Anodyne N=c1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c[nH]1 ZINC000587127431 EF Annotated Anodyne Oc1ncnc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 ZINC000587127539 EF Annotated Anodyne CC(=O)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 ZINC000587127841 EF Annotated Anodyne Cn1nnc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1C(F)F ZINC000587127867 EF Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2c1 ZINC000587127924 EF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3nnn(C)c3C(F)F)nc2c1 ZINC000587127931 EF Annotated Anodyne COc1cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2cc1OC ZINC000587128125 EF Annotated Anodyne Cn1nnc(-c2nc3ccc(Br)c(O)c3[nH]2)c1C(F)F ZINC000587128204 EF Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 ZINC000587128349 EF Annotated Bother COc1cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2cc1C ZINC000587128356 EF Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cnc4ncnn4c3C(F)F)nc12 ZINC000587128426 EF Annotated Anodyne COc1cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2cc1F ZINC000587128575 EF Annotated Anodyne Cc1nc2[nH]c(-c3nnn(C)c3C(F)F)nc2cc1Br ZINC000587128718 EF Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 ZINC000587128744 EF Annotated Bother Cc1c(Br)cnc2[nH]c(-c3nnn(C)c3C(F)F)nc12 ZINC000587128785 EF Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 ZINC000587128881 EF Annotated Mild O=[N+]([O-])c1cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2cc1F ZINC000587128939 EF Annotated Bother Cn1nnc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1C(F)F ZINC000587129195 EF Annotated Anodyne Cn1nnc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1C(F)F ZINC000587129231 EF Annotated Bother Cc1cc2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2cc1[N+](=O)[O-] ZINC000587129319 EF Annotated Bother Fc1cnc(Cl)c2[nH]c(-c3cnc4ncnn4c3C(F)F)nc12 ZINC000587129371 EF Annotated Anodyne O=C1COc2cc3nc(-c4cccc(OCC(F)F)n4)[nH]c3cc2N1 ZINC000587129468 EF Annotated Anodyne Cn1nnc(-c2nc3c(F)cnc(Br)c3[nH]2)c1C(F)F ZINC000587129675 EF Annotated Anodyne CC(C)OC(=O)C1(c2nc3cnc(Cl)[nH]c-3n2)CC(F)(F)C1 ZINC000587130071 EF Annotated Anodyne CC(C)OC(=O)C1(c2nc3c(Cl)ncnc3[nH]2)CC(F)(F)C1 ZINC000587130081 EF Annotated Anodyne CC(C)OC(=O)C1(c2nc3nc(Cl)c[nH]c-3n2)CC(F)(F)C1 ZINC000587130379 EF Annotated Anodyne CCOc1cc(/C=C/c2nc3c[nH]c(=N)[nH]c-3n2)ccc1OC(F)F ZINC000587130667 EF Annotated Anodyne CCOc1cc(/C=C\c2nc3c[nH]c(=N)[nH]c-3n2)ccc1OC(F)F ZINC000587130671 EF Annotated Anodyne FC(F)COc1cccc(-c2nc3c(S)nc(S)nc3[nH]2)n1 ZINC000587130837 EF Annotated Anodyne Oc1nc2cc3[nH]c(-c4cccc(OCC(F)F)n4)nc3cc2[nH]1 ZINC000587130873 EF Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc(CCO)cc3[nH]2)CC(F)(F)C1 ZINC000587131254 EF Annotated Anodyne COc1ccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2n1 ZINC000587131297 EF Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc(C(=O)O)cc3[nH]2)CC(F)(F)C1 ZINC000587131339 EF Annotated Anodyne COc1nccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c12 ZINC000587131345 EF Annotated Anodyne COc1cncc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c12 ZINC000587131502 EF Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc4c(cc3[nH]2)OCO4)CC(F)(F)C1 ZINC000587131809 EF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3c(N)ccnc3[nH]2)C(F)(F)C1 ZINC000587131811 EF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(N)ccnc3[nH]2)C(F)(F)C1 ZINC000587131815 EF Annotated Anodyne COc1cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2cn1 ZINC000587131835 EF Annotated Anodyne N#Cc1nc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2nc1C#N ZINC000587131976 EF Annotated Mild CC(C)OC(=O)C1(c2nc3cc(C#N)c(C#N)cc3[nH]2)CC(F)(F)C1 ZINC000587131979 EF Annotated Mild CC(C)(C)OC(=O)N1C[C@H](c2nc3ccnc(O)c3[nH]2)C(F)(F)C1 ZINC000587132032 EF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccnc(O)c3[nH]2)C(F)(F)C1 ZINC000587132033 EF Annotated Anodyne COc1c(F)ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1N ZINC000587132409 EF Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(C3(F)CCCCC3)[nH]c12 ZINC000587132463 EF Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(F)c(OC)c3N)[nH]c2c1OC ZINC000587132546 EF Annotated Anodyne O=C(c1nc2c(O)nncc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587132789 EF Annotated Anodyne COc1c(F)ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1N ZINC000587132846 EF Annotated Anodyne Nc1ncnc2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c12 ZINC000587132952 EF Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587133460 EF Annotated Anodyne COc1c(F)ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1N ZINC000587133564 EF Annotated Anodyne O=C(c1nc2c(O)ncnc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133607 EF Annotated Anodyne COc1c(F)ccc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)c1N ZINC000587133651 EF Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(F)c(OC)c3N)nc2cc1OC ZINC000587133679 EF Annotated Anodyne Oc1nc(O)c2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2n1 ZINC000587133921 EF Annotated Anodyne Oc1nc(O)c2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2n1 ZINC000587133922 EF Annotated Anodyne N=c1[nH]c2nc(-c3c(F)c(F)c(S)c(F)c3F)nc-2c(Cl)[nH]1 ZINC000587133960 EF Annotated Anodyne Oc1nncc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587134111 EF Annotated Anodyne Oc1nncc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 ZINC000587134112 EF Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(F)c(N)c(F)c3)[nH]c2c1OC ZINC000587134285 EF Annotated Anodyne Nc1c(F)cc(-c2nc3nc(Br)c[nH]c-3n2)cc1F ZINC000587134293 EF Annotated Anodyne COc1c(F)cc(-c2nc3c(S)nc(S)nc3[nH]2)cc1F ZINC000587134307 EF Annotated Anodyne Oc1c(F)cc(F)cc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587134349 EF Annotated Anodyne Nc1c(F)cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1F ZINC000587134789 EF Annotated Bother Nc1c(F)cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1F ZINC000587135062 EF Annotated Anodyne Oc1ncnc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc12 ZINC000587135316 EF Annotated Anodyne Oc1ncnc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc12 ZINC000587135318 EF Annotated Anodyne N=c1[nH]cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc-2[nH]1 ZINC000587135324 EF Annotated Anodyne N=c1[nH]cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc-2[nH]1 ZINC000587135326 EF Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3c(F)c(F)c(S)c(F)c3F)nc12 ZINC000587135340 EF Annotated Anodyne Nc1ncnc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc12 ZINC000587135420 EF Annotated Anodyne Nc1ncnc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc12 ZINC000587135421 EF Annotated Anodyne Nc1ncnc2[nH]c(-c3cc(Br)c(F)cc3F)nc12 ZINC000587135764 EF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(N)c(N)cc3F)nc2c1 ZINC000587135834 EF Annotated Anodyne CNc1c(F)cccc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587135897 EF Annotated Anodyne Cc1cc(N(C)Cc2nc3ccnc(O)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136097 EF Annotated Bother Oc1nncc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 ZINC000587136295 EF Annotated Anodyne Nc1cc(F)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1N ZINC000587136347 EF Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3c(O)nc(S)nc3[nH]2)c(N)cc1F ZINC000587136519 EF Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(N)c(N)cc3F)[nH]c2c1 ZINC000587136676 EF Annotated Anodyne Cc1cc(N(C)Cc2nc3cc(N)c(N)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136698 EF Annotated Bother COc1cc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2cn1 ZINC000587136722 EF Annotated Bother Nc1c(F)c(F)cc(-c2nc3nc(Br)c[nH]c-3n2)c1F ZINC000587136735 EF Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1F ZINC000587136749 EF Annotated Anodyne Cc1nc2[nH]c(-c3cc(N)c(N)cc3F)nc2cc1Br ZINC000587136852 EF Annotated Anodyne COc1cncc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c12 ZINC000587136881 EF Annotated Bother COc1nccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c12 ZINC000587136939 EF Annotated Bother Oc1ncnc2[nH]c(-c3cc(Br)c(F)cc3F)nc12 ZINC000587136960 EF Annotated Anodyne Cc1cc(N(C)Cc2nc3c(N)ccnc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136988 EF Annotated Bother Nc1c(F)c(F)cc(-c2nc3c(S)nc(S)nc3[nH]2)c1F ZINC000587137121 EF Annotated Anodyne Nc1cc(F)c(-c2nc3c(F)cnc(Br)c3[nH]2)cc1N ZINC000587137192 EF Annotated Anodyne Nc1cc(F)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1N ZINC000587137229 EF Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1F ZINC000587137247 EF Annotated Anodyne COc1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2n1 ZINC000587137348 EF Annotated Bother Cc1cc(Br)c(-c2nc3c(O)nc(O)nc3[nH]2)cc1F ZINC000587137644 EF Annotated Anodyne N=c1[nH]cc2nc(-c3cc(Cl)c(Br)cc3F)nc-2[nH]1 ZINC000587137752 EF Annotated Anodyne COC(=O)c1cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2cn1 ZINC000587138021 EF Annotated Anodyne N=c1[nH]c2nc(CCc3cc(F)c(F)c(F)c3)nc-2c(Cl)[nH]1 ZINC000587138781 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c(CCc3cc(F)c(F)c(F)c3)nc12 ZINC000587138807 EF Annotated Anodyne Fc1cc(CCc2nc3ccc(-n4cnnn4)cc3[nH]2)cc(F)c1F ZINC000587138841 EF Annotated Anodyne N=c1[nH]c2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc-2c(Cl)[nH]1 ZINC000587139048 EF Annotated Bother Oc1nc(S)nc2[nH]c(CCc3cc(F)c(F)c(F)c3)nc12 ZINC000587139112 EF Annotated Anodyne COC(=O)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2n1 ZINC000587139126 EF Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(O)nc(S)nc3[nH]2)c1F ZINC000587139587 EF Annotated Bother OCc1ccc(F)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000587140005 EF Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(CO)ccc3F)[nH]c2c1OC ZINC000587140106 EF Annotated Anodyne CC1=C(c2ccc3nc(-c4ccc(F)c(N)c4)[nH]c3c2)NNC(=O)C1 ZINC000587140220 EF Annotated Anodyne C=CCc1cccc2nc(-c3cc(S(N)(=O)=O)ccc3F)[nH]c12 ZINC000587140378 EF Annotated Mild CCOC(=O)Cc1ccc2nc(Cc3cc(N)ccc3F)[nH]c2c1 ZINC000587140512 EF Annotated Anodyne COC(=O)c1cc2[nH]c(Cc3cc(N)ccc3F)nc2cc1OC ZINC000587140569 EF Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(CO)ccc3F)nc2cc1OC ZINC000587140750 EF Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(CO)ccc3F)[nH]c2cc1[N+](=O)[O-] ZINC000587140761 EF Annotated Bother Nc1cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)ccc1F ZINC000587141101 EF Annotated Anodyne CN(C)CCOc1ccc2nc(Cc3cc(N)ccc3F)[nH]c2c1 ZINC000587141397 EF Annotated Anodyne COC(=O)c1ccc2nc(Cc3cc(N)ccc3F)[nH]c2c1OC ZINC000587141671 EF Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 ZINC000587141690 EF Annotated Anodyne Nc1ccc(F)c(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 ZINC000587141722 EF Annotated Bother Nc1ccc(F)c(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000587141858 EF Annotated Anodyne N=c1[nH]c2nc(-c3ccc(Br)cc3F)nc-2c(Cl)[nH]1 ZINC000587142510 EF Annotated Anodyne N#Cc1nc2nc(-c3ccc(Br)cc3F)[nH]c2nc1C#N ZINC000587142539 EF Annotated Mild Oc1nc(S)nc2[nH]c(-c3ccc(Br)cc3F)nc12 ZINC000587142604 EF Annotated Anodyne CC1=C(c2ccc3nc(-c4ccc(C#N)c(F)c4)[nH]c3c2)NNC(=O)C1 ZINC000587143446 EF Annotated Mild N=c1nc(O)c2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2[nH]1 ZINC000587145737 EF Annotated Anodyne Cc1ccc(/C=C\c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1F ZINC000587146188 EF Annotated Anodyne Cc1ccc(/C=C/c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1F ZINC000587146189 EF Annotated Anodyne Cc1ccc(/C=C/c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1F ZINC000587146355 EF Annotated Anodyne Cc1ccc(/C=C\c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1F ZINC000587146356 EF Annotated Anodyne Cc1ccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(F)c1 ZINC000587146616 EF Annotated Anodyne COc1ccc(Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(F)c1 ZINC000587148123 EF Annotated Anodyne COc1ccc(Cc2nc3nc(Br)c[nH]c-3n2)c(F)c1 ZINC000587148163 EF Annotated Anodyne O=C(O)c1cccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 ZINC000587148184 EF Annotated Bother O=[N+]([O-])c1ccc(OCc2nc3ccc(CCO)cc3[nH]2)cc1F ZINC000587148201 EF Annotated Bother Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(=N)[nH]ccc2[nH]1 ZINC000587148368 EF Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1F ZINC000587148466 EF Annotated Bother O=C(O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 ZINC000587148589 EF Annotated Bother Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c[nH]c(=N)cc2[nH]1 ZINC000587148638 EF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CCc3ccccc3F)[nH]c12 ZINC000587148782 EF Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587148913 EF Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587148917 EF Annotated Anodyne COc1ccc(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c(F)c1 ZINC000587148955 EF Annotated Anodyne COC(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 ZINC000587149128 EF Annotated Bother N[C@@H](N=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 ZINC000587149379 EF Annotated Bother N[C@H](N=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 ZINC000587149388 EF Annotated Bother COC(=O)c1cccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 ZINC000587149400 EF Annotated Bother COC(=O)c1cc2[nH]c([C@@H](N)c3ccc(F)cc3F)nc2cc1OC ZINC000587149414 EF Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2c1 ZINC000587149515 EF Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587149974 EF Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587149978 EF Annotated Anodyne N#Cc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1C#N ZINC000587150007 EF Annotated Mild O=[N+]([O-])c1ccc(OCc2nc3cc4c(cc3[nH]2)OCCO4)cc1F ZINC000587150067 EF Annotated Bother N[C@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1ccc(F)cc1F ZINC000587150073 EF Annotated Bother O=C1C[C@@H](c2nc3cnccc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150241 EF Annotated Anodyne O=C1C[C@H](c2nc3cnccc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150242 EF Annotated Anodyne O=C1C[C@H](c2nc3cc(F)cnc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150286 EF Annotated Anodyne O=C1C[C@@H](c2nc3cc(F)cnc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150288 EF Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587150504 EF Annotated Reactive C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587150506 EF Annotated Reactive COC(=O)c1ccc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2c1OC ZINC000587150572 EF Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2nccc(N)c2[nH]1 ZINC000587150858 EF Annotated Anodyne O=C1C[C@@H](c2nc3cccnc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587151306 EF Annotated Anodyne O=C1C[C@H](c2nc3cccnc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587151307 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 ZINC000587151704 EF Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587151717 EF Annotated Mild NS(=O)(=O)c1cccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 ZINC000587151719 EF Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587151721 EF Annotated Mild NS(=O)(=O)c1cccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 ZINC000587151722 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 ZINC000587151726 EF Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2c1 ZINC000587151835 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc(/C=C\c3ccc(F)cc3F)[nH]c12 ZINC000587151851 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc(/C=C/c3ccc(F)cc3F)[nH]c12 ZINC000587151853 EF Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2c1 ZINC000587151908 EF Annotated Anodyne N[C@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)c1ccc(F)cc1F ZINC000587151944 EF Annotated Anodyne NNC(=O)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587152054 EF Annotated Reactive NNC(=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587152055 EF Annotated Reactive NNC(=O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587152056 EF Annotated Reactive NNC(=O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587152057 EF Annotated Reactive N[C@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccc(F)cc1F ZINC000587152159 EF Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587153065 EF Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587153066 EF Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587153067 EF Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c1 ZINC000587153068 EF Annotated Anodyne N[C@]1(c2nc3cc(F)cc(C(=O)O)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587153877 EF Annotated Anodyne N[C@@]1(c2nc3cc(F)cc(C(=O)O)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587153878 EF Annotated Anodyne N[C@@]1(c2nc3cc(F)cc(C(=O)O)c3[nH]2)C[C@H]1c1ccccc1F ZINC000587153879 EF Annotated Anodyne N[C@]1(c2nc3cc(F)cc(C(=O)O)c3[nH]2)C[C@@H]1c1ccccc1F ZINC000587153880 EF Annotated Anodyne N[C@@]1(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)C[C@@H]1c1ccccc1F ZINC000587154163 EF Annotated Anodyne N[C@@]1(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)C[C@H]1c1ccccc1F ZINC000587154164 EF Annotated Anodyne N[C@]1(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)C[C@@H]1c1ccccc1F ZINC000587154165 EF Annotated Anodyne N[C@]1(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)C[C@H]1c1ccccc1F ZINC000587154166 EF Annotated Anodyne Cc1c(Br)ccc2nc(-c3nn(C)c(O)c3F)[nH]c12 ZINC000587154279 EF Annotated Anodyne COc1cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cn1 ZINC000587154363 EF Annotated Anodyne COc1cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cn1 ZINC000587154364 EF Annotated Anodyne Cn1nc(-c2nc3cc(Br)cc(F)c3[nH]2)c(F)c1O ZINC000587154496 EF Annotated Anodyne CCCc1nc(-c2nc3c(=N)[nH]ccc3[nH]2)nn1-c1ccccc1F ZINC000587154546 EF Annotated Anodyne Cc1cc2nc(-c3nn(C)c(O)c3F)[nH]c2cc1Br ZINC000587154602 EF Annotated Anodyne Fc1cc(Br)cnc1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000587154608 EF Annotated Anodyne Cn1nc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(F)c1O ZINC000587154618 EF Annotated Anodyne Cn1nc(-c2nc3ccc(Br)c(F)c3[nH]2)c(F)c1O ZINC000587154631 EF Annotated Anodyne Cn1nc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(F)c1O ZINC000587154770 EF Annotated Bother C[C@@]1(c2nc3cc(N)c(N)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154772 EF Annotated Anodyne C[C@]1(c2nc3cc(N)c(N)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587154775 EF Annotated Anodyne Cc1cc(Br)cc2nc(-c3nn(C)c(O)c3F)[nH]c12 ZINC000587155020 EF Annotated Anodyne COc1cc(-c2nc3nc(Cl)c[nH]c-3n2)nn1-c1ccccc1F ZINC000587155032 EF Annotated Anodyne Cn1nc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(F)c1O ZINC000587155143 EF Annotated Anodyne COc1ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2n1 ZINC000587155147 EF Annotated Anodyne COc1ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2n1 ZINC000587155148 EF Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587155160 EF Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587155163 EF Annotated Anodyne C[C@@]1(c2nc3nc(Cl)c[nH]c-3n2)C=C(c2ccccc2F)NO1 ZINC000587155226 EF Annotated Anodyne C[C@]1(c2nc3nc(Cl)c[nH]c-3n2)C=C(c2ccccc2F)NO1 ZINC000587155227 EF Annotated Anodyne Fc1cc(Br)cnc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587155319 EF Annotated Anodyne Fc1ccc(-c2nc3ncnc(Cl)c3[nH]2)nc1Br ZINC000587155326 EF Annotated Anodyne Cn1nc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(F)c1O ZINC000587155368 EF Annotated Bother CC[C@H](Oc1ccccc1F)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587155472 EF Annotated Reactive CC[C@@H](Oc1ccccc1F)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587155474 EF Annotated Reactive Cc1cc(Br)c2[nH]c(-c3nn(C)c(O)c3F)nc2c1 ZINC000587155559 EF Annotated Anodyne Cn1nc(-c2nc3cc(Br)c(F)cc3[nH]2)c(F)c1O ZINC000587155592 EF Annotated Anodyne Cn1nc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c(F)c1O ZINC000587155642 EF Annotated Mild C[C@]1(c2nc3ccc(C(N)=O)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587155707 EF Annotated Anodyne C[C@@]1(c2nc3ccc(C(N)=O)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587155708 EF Annotated Anodyne COc1nccc2nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c12 ZINC000587155790 EF Annotated Anodyne COc1cc2nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c2cn1 ZINC000587155813 EF Annotated Anodyne Fc1cc(Br)cnc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000587155820 EF Annotated Anodyne O=[N+]([O-])c1cncc2[nH]c(-c3ccc(F)c(Br)n3)nc12 ZINC000587155874 EF Annotated Bother N[C@@]1(c2nc3nc(Br)c[nH]c-3n2)C[C@@H]1c1ccccc1F ZINC000587156111 EF Annotated Anodyne N[C@]1(c2nc3nc(Br)c[nH]c-3n2)C[C@H]1c1ccccc1F ZINC000587156112 EF Annotated Anodyne N[C@@]1(c2nc3nc(Br)c[nH]c-3n2)C[C@H]1c1ccccc1F ZINC000587156113 EF Annotated Anodyne N[C@]1(c2nc3nc(Br)c[nH]c-3n2)C[C@@H]1c1ccccc1F ZINC000587156114 EF Annotated Anodyne Fc1ccc(-c2nc3cnc(Cl)[nH]c-3n2)nc1Br ZINC000587156166 EF Annotated Anodyne Fc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)nc1Br ZINC000587156198 EF Annotated Anodyne O=[N+]([O-])c1cnc2nc(-c3ccc(F)c(Br)n3)[nH]c2c1 ZINC000587156200 EF Annotated Bother Cn1nc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(F)c1O ZINC000587156225 EF Annotated Anodyne CCCc1nc(-c2nc3nccc(N)c3[nH]2)nn1-c1ccccc1F ZINC000587156233 EF Annotated Anodyne COc1cc(-c2nc3ccnc(O)c3[nH]2)nn1-c1ccccc1F ZINC000587156350 EF Annotated Anodyne COc1cc(-c2nc3cnc(Cl)[nH]c-3n2)nn1-c1ccccc1F ZINC000587156361 EF Annotated Anodyne COc1nccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 ZINC000587156412 EF Annotated Anodyne COc1nccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 ZINC000587156414 EF Annotated Anodyne COc1cncc2nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c12 ZINC000587156484 EF Annotated Anodyne COC(=O)c1ccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 ZINC000587156497 EF Annotated Anodyne COc1cc(-c2nc3cc(N)c(N)cc3[nH]2)nn1-c1ccccc1F ZINC000587156498 EF Annotated Anodyne COC(=O)c1ccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 ZINC000587156499 EF Annotated Anodyne COC(=O)c1ccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 ZINC000587156501 EF Annotated Anodyne COC(=O)c1ccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 ZINC000587156503 EF Annotated Anodyne Cn1nc(-c2nc3ccc(F)c(Br)c3[nH]2)c(F)c1O ZINC000587156563 EF Annotated Anodyne Cn1nc(-c2nc3cc(F)cc(Br)c3[nH]2)c(F)c1O ZINC000587156582 EF Annotated Anodyne CCCc1nc(-c2nc3c[nH]c(=N)cc3[nH]2)nn1-c1ccccc1F ZINC000587156610 EF Annotated Anodyne COc1cncc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 ZINC000587156632 EF Annotated Anodyne COc1cncc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 ZINC000587156633 EF Annotated Anodyne C[C@@]1(c2nc3cncc([N+](=O)[O-])c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156653 EF Annotated Bother C[C@]1(c2nc3cncc([N+](=O)[O-])c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156654 EF Annotated Bother Cn1nc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c(F)c1O ZINC000587156731 EF Annotated Anodyne N[C@]1(c2nc3cc4c(cc3[nH]2)OCCO4)C[C@@H]1c1ccccc1F ZINC000587156761 EF Annotated Anodyne N[C@]1(c2nc3cc4c(cc3[nH]2)OCCO4)C[C@H]1c1ccccc1F ZINC000587156765 EF Annotated Anodyne N[C@@]1(c2nc3cc4c(cc3[nH]2)OCCO4)C[C@H]1c1ccccc1F ZINC000587156767 EF Annotated Anodyne N[C@@]1(c2nc3cc4c(cc3[nH]2)OCCO4)C[C@@H]1c1ccccc1F ZINC000587156769 EF Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3ncc(Br)cc3F)nc2c1 ZINC000587156975 EF Annotated Bother C[C@@]1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587157001 EF Annotated Bother C[C@]1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587157002 EF Annotated Bother C[C@]1(c2nc3ccc(CO)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587157027 EF Annotated Anodyne C[C@@]1(c2nc3ccc(CO)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587157028 EF Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3ncc(Br)cc3F)[nH]c12 ZINC000587157098 EF Annotated Bother N[C@]1(c2nc3cc(C(=O)O)c(F)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587157343 EF Annotated Anodyne N[C@@]1(c2nc3cc(C(=O)O)c(F)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587157344 EF Annotated Anodyne N[C@]1(c2nc3cc(C(=O)O)c(F)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587157345 EF Annotated Anodyne N[C@@]1(c2nc3cc(C(=O)O)c(F)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587157346 EF Annotated Anodyne N#Cc1nc(Cl)cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c12 ZINC000587157365 EF Annotated Mild N#Cc1nc(Cl)cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c12 ZINC000587157366 EF Annotated Mild N#Cc1nc(Cl)cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c12 ZINC000587157367 EF Annotated Mild N#Cc1nc(Cl)cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c12 ZINC000587157368 EF Annotated Mild N=c1[nH]cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)nc-2[nH]1 ZINC000587157783 EF Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 ZINC000587157804 EF Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 ZINC000587157809 EF Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 ZINC000587157810 EF Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 ZINC000587157812 EF Annotated Anodyne C[C@@]1(c2nc3cnc(Cl)[nH]c-3n2)C=C(c2ccccc2F)NO1 ZINC000587157851 EF Annotated Anodyne C[C@]1(c2nc3cnc(Cl)[nH]c-3n2)C=C(c2ccccc2F)NO1 ZINC000587157852 EF Annotated Anodyne N=c1nc(O)c2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c2[nH]1 ZINC000587158144 EF Annotated Anodyne CC1=C(c2ccc3[nH]c(-c4ccc(F)cc4C#N)nc3c2)NNC(=O)C1 ZINC000587158161 EF Annotated Mild C[C@@]1(c2nc3c(Cl)ncnc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587158366 EF Annotated Anodyne C[C@]1(c2nc3c(Cl)ncnc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587158368 EF Annotated Anodyne N[C@@]1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)C[C@@H]1c1ccccc1F ZINC000587158559 EF Annotated Anodyne N[C@]1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)C[C@H]1c1ccccc1F ZINC000587158562 EF Annotated Anodyne N[C@@]1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)C[C@H]1c1ccccc1F ZINC000587158563 EF Annotated Anodyne N[C@]1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)C[C@@H]1c1ccccc1F ZINC000587158565 EF Annotated Anodyne COC(=O)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000587158748 EF Annotated Bother O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(CCO)cc2[nH]1 ZINC000587158763 EF Annotated Bother N[C@@H](N=O)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000587158764 EF Annotated Bother N[C@H](N=O)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000587158765 EF Annotated Bother O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587158769 EF Annotated Bother O=C(O)c1cccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 ZINC000587158827 EF Annotated Bother CN(C)C(=O)c1ccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 ZINC000587158983 EF Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 ZINC000587158990 EF Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 ZINC000587158992 EF Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 ZINC000587158994 EF Annotated Anodyne N#Cc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1C#N ZINC000587159225 EF Annotated Mild O=C(O)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000587159560 EF Annotated Bother O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587159790 EF Annotated Bother COC(=O)c1cccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 ZINC000587159792 EF Annotated Bother O=C1COc2cc3[nH]c(-c4cc(F)cc([N+](=O)[O-])c4)nc3cc2N1 ZINC000587160145 EF Annotated Bother O=[N+]([O-])c1cc(F)cc(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587160554 EF Annotated Bother N=c1[nH]c2nc(-c3cc(F)cc(Br)c3)nc-2c(Cl)[nH]1 ZINC000587160723 EF Annotated Anodyne N#Cc1nc2nc(-c3cc(F)cc(Br)c3)[nH]c2nc1C#N ZINC000587160819 EF Annotated Mild Oc1nc(S)nc2[nH]c(-c3cc(F)cc(Br)c3)nc12 ZINC000587161028 EF Annotated Anodyne Oc1nccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 ZINC000587161224 EF Annotated Anodyne COC(=O)c1cc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2cn1 ZINC000587162019 EF Annotated Anodyne N=c1[nH]cc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)nc-2[nH]1 ZINC000587162123 EF Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2c1 ZINC000587162165 EF Annotated Anodyne N[C@H](N=O)c1ccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2c1 ZINC000587162172 EF Annotated Anodyne Nc1ncnc2[nH]c(-c3ccccc3C(=O)c3ccc(F)cc3)nc12 ZINC000587162177 EF Annotated Anodyne O=C1COc2cc3[nH]c(CCC(=O)c4ccc(F)cc4)nc3cc2N1 ZINC000587162212 EF Annotated Anodyne Nc1ccnc2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc12 ZINC000587162285 EF Annotated Anodyne N#Cc1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1 ZINC000587162318 EF Annotated Mild CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587162749 EF Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587162750 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 ZINC000587162769 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c12 ZINC000587162773 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c12 ZINC000587162774 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 ZINC000587162776 EF Annotated Anodyne Cc1cncc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 ZINC000587162964 EF Annotated Anodyne O=C(CCc1nc2c(S)nc(S)nc2[nH]1)Nc1cccc(F)c1 ZINC000587163115 EF Annotated Anodyne O=C(CCc1nc2c(S)nc(S)nc2[nH]1)c1ccc(F)cc1 ZINC000587163120 EF Annotated Anodyne O=C1CC=C(c2nc3cc(F)cnc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587163258 EF Annotated Anodyne O=C(CCc1nc2cncc([N+](=O)[O-])c2[nH]1)Nc1cccc(F)c1 ZINC000587163292 EF Annotated Bother COC(=O)c1ccnc2[nH]c([C@H](c3ccc(F)cc3)N(C)C)nc12 ZINC000587163322 EF Annotated Anodyne Cc1nccc2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc12 ZINC000587163327 EF Annotated Anodyne O=C1CC=C(c2nc3ccc(O)cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587163330 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](c3ccc(F)cc3)N(C)C)nc12 ZINC000587163336 EF Annotated Anodyne N#Cc1cccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 ZINC000587163496 EF Annotated Mild N=c1nc(O)c2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2[nH]1 ZINC000587163723 EF Annotated Anodyne COC(=O)c1ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2n1 ZINC000587163753 EF Annotated Anodyne Cc1cnc2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc2c1 ZINC000587163886 EF Annotated Anodyne O=C(CCc1nc2cc3nc(O)[nH]c3cc2[nH]1)Nc1cccc(F)c1 ZINC000587164043 EF Annotated Anodyne COC(=O)c1ccc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2n1 ZINC000587164156 EF Annotated Anodyne COC(=O)c1ccc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2n1 ZINC000587164159 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c(CCC(=O)c3ccc(F)cc3)nc12 ZINC000587164222 EF Annotated Anodyne Cc1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2n1 ZINC000587164464 EF Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587164568 EF Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587164569 EF Annotated Anodyne COC(=O)c1cc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2cn1 ZINC000587164596 EF Annotated Anodyne COC(=O)c1cc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2cn1 ZINC000587164597 EF Annotated Anodyne O=C1CC=C(c2nc3cccc(O)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164743 EF Annotated Anodyne Cc1ccnc2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc12 ZINC000587164911 EF Annotated Anodyne O=[N+]([O-])c1cncc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c12 ZINC000587165369 EF Annotated Bother O=[N+]([O-])c1cnc2[nH]c(Cn3cc(-c4ccc(F)cc4)cn3)nc2c1 ZINC000587165469 EF Annotated Bother Cc1c(-c2nc3c(O)nc(=N)[nH]c3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587165746 EF Annotated Anodyne Cc1c(-c2nc3c(O)nc(O)nc3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587166169 EF Annotated Anodyne COC(=O)c1cc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2cn1 ZINC000587166627 EF Annotated Anodyne COC(=O)c1cc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2cn1 ZINC000587166633 EF Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(O)ncnc2[nH]1 ZINC000587166833 EF Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2c(O)ncnc2[nH]1 ZINC000587166834 EF Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ncc[nH]c-2n1 ZINC000587166862 EF Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ncc[nH]c-2n1 ZINC000587166863 EF Annotated Anodyne O=C(/C=C/c1nc2c(S)nc(S)nc2[nH]1)Nc1ccc(F)cc1 ZINC000587166953 EF Annotated Anodyne O=C(/C=C\c1nc2c(S)nc(S)nc2[nH]1)Nc1ccc(F)cc1 ZINC000587166954 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c(/C=C\C(=O)Nc3ccc(F)cc3)nc12 ZINC000587167173 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c(/C=C/C(=O)Nc3ccc(F)cc3)nc12 ZINC000587167174 EF Annotated Anodyne N=c1[nH]ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587167228 EF Annotated Anodyne N=c1[nH]ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587167229 EF Annotated Anodyne O=C(/C=C/c1nc2cncc([N+](=O)[O-])c2[nH]1)Nc1ccc(F)cc1 ZINC000587167597 EF Annotated Bother O=C(/C=C\c1nc2cncc([N+](=O)[O-])c2[nH]1)Nc1ccc(F)cc1 ZINC000587167598 EF Annotated Bother Nc1ccnc2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc12 ZINC000587168214 EF Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cnnc(O)c2[nH]1 ZINC000587168453 EF Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cnnc(O)c2[nH]1 ZINC000587168454 EF Annotated Anodyne N=c1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c[nH]1 ZINC000587168663 EF Annotated Anodyne Nc1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1N ZINC000587168697 EF Annotated Anodyne Oc1nccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 ZINC000587168743 EF Annotated Anodyne N=c1[nH]ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 ZINC000587168878 EF Annotated Anodyne Cc1cc2[nH]c(CN(C)S(=O)(=O)c3ccc(F)cc3)nc2c(C)n1 ZINC000587169765 EF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(COc3ccc(F)cc3)[nH]c12 ZINC000587169926 EF Annotated Anodyne COc1cccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c12 ZINC000587170196 EF Annotated Anodyne N[C@@H](N=O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 ZINC000587170497 EF Annotated Anodyne N[C@H](N=O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 ZINC000587170498 EF Annotated Anodyne N#Cc1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1C#N ZINC000587170571 EF Annotated Mild CN(Cc1nc2cccc(F)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587171006 EF Annotated Anodyne Cc1cccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c12 ZINC000587171057 EF Annotated Anodyne COC(=O)c1cccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 ZINC000587171073 EF Annotated Anodyne OCCc1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 ZINC000587171234 EF Annotated Anodyne Fc1cc2c(c(Cc3nc4cc5c(cc4[nH]3)OCO5)c1)OCOC2 ZINC000587171295 EF Annotated Anodyne O=C(O)c1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1F ZINC000587171629 EF Annotated Anodyne O=C(O)c1cc(F)cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 ZINC000587171639 EF Annotated Anodyne Fc1cc2c(c(Cc3nc4cc5c(cc4[nH]3)OCCO5)c1)OCOC2 ZINC000587171766 EF Annotated Anodyne C[C@@]1(c2nc3cnc(Cl)[nH]c-3n2)Cc2ccc(F)cc2C(=O)O1 ZINC000587171952 EF Annotated Anodyne C[C@]1(c2nc3cnc(Cl)[nH]c-3n2)Cc2ccc(F)cc2C(=O)O1 ZINC000587171954 EF Annotated Anodyne Oc1nc2cc3nc(Cc4cc(F)cc5c4OCOC5)[nH]c3cc2[nH]1 ZINC000587172124 EF Annotated Anodyne COC(=O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 ZINC000587172185 EF Annotated Anodyne O=C(O)c1cccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 ZINC000587172190 EF Annotated Anodyne O=c1c(-c2nc3ncc[nH]c-3n2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587172514 EF Annotated Anodyne O=c1c(-c2nc3cncnc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587173000 EF Annotated Anodyne C[C@@]1(c2nc3nc(Cl)c[nH]c-3n2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173076 EF Annotated Anodyne C[C@]1(c2nc3nc(Cl)c[nH]c-3n2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173077 EF Annotated Anodyne C[C@@]1(c2nc3c(Cl)ncnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173098 EF Annotated Anodyne C[C@]1(c2nc3c(Cl)ncnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173099 EF Annotated Anodyne Fc1ccc2c(c1)C[C@H](c1nc3nc(Br)c[nH]c-3n1)O2 ZINC000587173235 EF Annotated Anodyne Fc1ccc2c(c1)C[C@@H](c1nc3nc(Br)c[nH]c-3n1)O2 ZINC000587173236 EF Annotated Anodyne COc1cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cn1 ZINC000587173245 EF Annotated Anodyne COc1cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cn1 ZINC000587173246 EF Annotated Anodyne C[C@@]1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173357 EF Annotated Bother C[C@]1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173358 EF Annotated Bother C[C@]1(c2nc3ccc(CO)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173362 EF Annotated Anodyne C[C@@]1(c2nc3ccc(CO)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173366 EF Annotated Anodyne O=c1c(-c2nc3cnncc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587173435 EF Annotated Anodyne COc1nccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 ZINC000587173841 EF Annotated Anodyne COc1nccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 ZINC000587173843 EF Annotated Anodyne C[C@@]1(c2nc3cncc([N+](=O)[O-])c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174660 EF Annotated Bother C[C@]1(c2nc3cncc([N+](=O)[O-])c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174661 EF Annotated Bother C[C@@]1(c2nc3ccc(CCO)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174699 EF Annotated Anodyne C[C@]1(c2nc3ccc(CCO)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174708 EF Annotated Anodyne COc1cncc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 ZINC000587174988 EF Annotated Anodyne COc1cncc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 ZINC000587174990 EF Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3coc4cc(F)ccc34)[nH]c12 ZINC000587175052 EF Annotated Anodyne COc1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2n1 ZINC000587175359 EF Annotated Anodyne COc1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2n1 ZINC000587175360 EF Annotated Anodyne O=S(=O)(O)c1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1 ZINC000587175441 EF Annotated Anodyne O=S(=O)(O)c1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1 ZINC000587175448 EF Annotated Anodyne COc1ncc(F)cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587175549 EF Annotated Bother Nc1c(-c2nc3c(S)nc(S)nc3[nH]2)cnc2c(F)cccc12 ZINC000587175833 EF Annotated Anodyne COC(=O)c1cc2nc(-c3cc(F)cnc3OC)[nH]c2cc1OC ZINC000587175860 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cnc4c(F)cccc4c3N)nc12 ZINC000587175894 EF Annotated Anodyne Nc1c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cnc2c(F)cccc12 ZINC000587176186 EF Annotated Anodyne COc1ncc(F)cc1-c1nc2cc(OCCN(C)C)ccc2[nH]1 ZINC000587176353 EF Annotated Anodyne O=C1COc2cc3[nH]c(Cc4c(F)cncc4Cl)nc3cc2N1 ZINC000587176424 EF Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2nc(Br)c[nH]c-2n1 ZINC000587176426 EF Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cc(F)cnc3OC)nc2c1OC ZINC000587176439 EF Annotated Anodyne Fc1cccc2c(-c3nc4nc(Br)c[nH]c-4n3)n[nH]c12 ZINC000587176459 EF Annotated Anodyne COC(=O)c1ccc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2n1 ZINC000587176482 EF Annotated Anodyne COC(=O)c1cc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2cn1 ZINC000587176511 EF Annotated Anodyne Fc1cncc(Cl)c1Cc1nc2c(S)nc(S)nc2[nH]1 ZINC000587177028 EF Annotated Anodyne O=S(=O)(O)c1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1 ZINC000587177110 EF Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12 ZINC000587177157 EF Annotated Bother OCCc1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1 ZINC000587177173 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(F)nc(N4CCCC4)c3)nc12 ZINC000587177219 EF Annotated Anodyne Fc1cncc(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000587177325 EF Annotated Anodyne Fc1cc(-c2nc3c(S)nc(S)nc3[nH]2)cc(N2CCCC2)n1 ZINC000587177404 EF Annotated Anodyne Fc1nc(Cl)ccc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587177415 EF Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cncc(F)c3)nc-2[nH]1 ZINC000587177452 EF Annotated Anodyne Oc1nc2cc3nc(-c4cc(F)nc(N5CCCC5)c4)[nH]c3cc2[nH]1 ZINC000587177575 EF Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3cc(F)nc(N4CCCC4)c3)nc2c1 ZINC000587177592 EF Annotated Bother COC(=O)c1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2n1 ZINC000587177720 EF Annotated Anodyne O=S(=O)(F)c1ccc(Cl)c(-c2nc3c(Cl)ncnc3[nH]2)c1 ZINC000587177802 EF Annotated Unstable O=S(=O)(F)c1ccc(Cl)c(-c2nc3cnc(Cl)[nH]c-3n2)c1 ZINC000587177854 EF Annotated Unstable O=[N+]([O-])c1cncc2nc(-c3cc(Br)cnc3F)[nH]c12 ZINC000587177990 EF Annotated Bother O=[N+]([O-])c1cnc2[nH]c(-c3cc(Br)cnc3F)nc2c1 ZINC000587178005 EF Annotated Bother Fc1ncc(Br)cc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587178046 EF Annotated Anodyne O=S(=O)(F)c1ccc(Cl)c(-c2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000587178081 EF Annotated Unstable Fc1ncc(Br)cc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000587178088 EF Annotated Anodyne Fc1ncc(Br)cc1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000587178242 EF Annotated Anodyne O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccnc(O)c3[nH]2)c1 ZINC000587180305 EF Annotated Unstable COc1cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2cn1 ZINC000587180554 EF Annotated Unstable COc1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2n1 ZINC000587180920 EF Annotated Unstable COc1cncc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12 ZINC000587181075 EF Annotated Unstable Nc1ccnc2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc12 ZINC000587181236 EF Annotated Unstable COc1nccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12 ZINC000587181442 EF Annotated Unstable Fc1ccc(I)cc1-c1nc2cncnc2[nH]1 ZINC000587182697 EF Annotated Anodyne Fc1ccc(I)cc1-c1nc2ncc[nH]c-2n1 ZINC000587182698 EF Annotated Anodyne Fc1ccc(I)cc1-c1nc2cnncc2[nH]1 ZINC000587182970 EF Annotated Anodyne Cc1ccc2nc(-c3cncc(I)c3)[nH]c2n1 ZINC000587184061 EF Annotated Anodyne Cc1cncc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587184730 EF Annotated Anodyne Cc1nccc2[nH]c(-c3cncc(I)c3)nc12 ZINC000587184974 EF Annotated Anodyne Fc1cnc2[nH]c(-c3cncc(I)c3)nc2c1 ZINC000587185081 EF Annotated Anodyne Cc1ccnc2[nH]c(-c3cncc(I)c3)nc12 ZINC000587185097 EF Annotated Anodyne Oc1cccc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587185425 EF Annotated Anodyne Cc1ccc2nc(-c3nccnc3I)[nH]c2c1 ZINC000587185859 EF Annotated Anodyne Cc1cnc2[nH]c(-c3cncc(I)c3)nc2c1 ZINC000587186091 EF Annotated Anodyne Cc1cccc2nc(-c3nccnc3I)[nH]c12 ZINC000587186629 EF Annotated Anodyne Fc1ccc2nc(-c3nccnc3I)[nH]c2c1 ZINC000587186692 EF Annotated Anodyne Fc1cccc2nc(-c3nccnc3I)[nH]c12 ZINC000587186846 EF Annotated Anodyne Cc1ccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1C#N ZINC000587187136 EF Annotated Mild Cc1ccc(/C=C(/C#N)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 ZINC000587187644 EF Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 ZINC000587187645 EF Annotated Reactive CC1=C(c2ccc3nc(-c4ccc(O)c(C#N)c4)[nH]c3c2)NNC(=O)C1 ZINC000587187783 EF Annotated Mild Cc1ccc(/C=C(\C#N)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000587187825 EF Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000587187829 EF Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 ZINC000587187899 EF Annotated Reactive Cc1ccc(/C=C(\C#N)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 ZINC000587187900 EF Annotated Reactive C[C@@H](C#N)c1cccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000587188277 EF Annotated Mild C[C@H](C#N)c1cccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000587188279 EF Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587189356 EF Annotated Mild CC1=C(c2ccc3nc(-c4cc(O)cc(C#N)c4)[nH]c3c2)NNC(=O)C1 ZINC000587189381 EF Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587189384 EF Annotated Mild C=C(CN(C)C)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587189428 EF Annotated Mild C=C(CN(C)C)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587189521 EF Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587189851 EF Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587189856 EF Annotated Mild COC(=O)c1ccc2[nH]c(C=NOCc3ccccc3)nc2c1OC ZINC000587189892 EF Annotated Mild COC(=O)c1cc(Br)c2[nH]c(C[C@@H](C)N(C)C)nc2c1 ZINC000587189907 EF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@H](C)N(C)C)nc2c1 ZINC000587189921 EF Annotated Anodyne CN1CCN(c2ccc3nc(COc4ccc(C#N)cc4)[nH]c3c2)CC1 ZINC000587189931 EF Annotated Mild O=[N+]([O-])c1cc2nc(C=NOCc3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000587189941 EF Annotated Mild Brc1c[nH]c2nc(C=NOCc3ccccc3)nc-2n1 ZINC000587190228 EF Annotated Mild COC(=O)c1cc2nc(C=NOCc3ccccc3)[nH]c2cc1OC ZINC000587190322 EF Annotated Mild C=C(CN(C)C)c1nc2ccc(I)cc2[nH]1 ZINC000587190447 EF Annotated Mild N#Cc1ccc(OCc2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000587190693 EF Annotated Mild N#Cc1ccc(OCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000587190697 EF Annotated Mild C=C(CN(C)C)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587190805 EF Annotated Mild C=C(CN(C)C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587190893 EF Annotated Mild COC(=O)c1cc2[nH]c(COc3ccc(C#N)cc3)nc2cc1OC ZINC000587191164 EF Annotated Mild C[C@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)N(C)C ZINC000587191326 EF Annotated Bother C[C@@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)N(C)C ZINC000587191329 EF Annotated Bother C[C@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)N(C)C ZINC000587191605 EF Annotated Bother C[C@@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)N(C)C ZINC000587191606 EF Annotated Bother COC(=O)c1ccc2nc(COc3ccc(C#N)cc3)[nH]c2c1OC ZINC000587191703 EF Annotated Mild C=C(CN(C)C)c1nc2cccc(I)c2[nH]1 ZINC000587191710 EF Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587191851 EF Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587191852 EF Annotated Mild C[C@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)N(C)C ZINC000587192029 EF Annotated Clean C[C@@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)N(C)C ZINC000587192030 EF Annotated Clean C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587192173 EF Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587192177 EF Annotated Mild C[C@H](Cc1nc2cccc(I)c2[nH]1)N(C)C ZINC000587192521 EF Annotated Anodyne C[C@@H](Cc1nc2cccc(I)c2[nH]1)N(C)C ZINC000587192522 EF Annotated Anodyne C[C@H](Cc1nc2ccc(I)cc2[nH]1)N(C)C ZINC000587192537 EF Annotated Anodyne C[C@@H](Cc1nc2ccc(I)cc2[nH]1)N(C)C ZINC000587192538 EF Annotated Anodyne C[C@H](Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)N(C)C ZINC000587192660 EF Annotated Anodyne C[C@@H](Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)N(C)C ZINC000587192661 EF Annotated Anodyne CN(CCO)c1ccc(-c2nc3c(C#N)nc(Cl)cc3[nH]2)cc1 ZINC000587192791 EF Annotated Mild COc1cc(OC)c2nc(-c3ccc(N(C)CCO)cc3)[nH]c2c1 ZINC000587192849 EF Annotated Clean CN(CCO)c1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1 ZINC000587192854 EF Annotated Clean CN(CCO)c1ccc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)cc1 ZINC000587193009 EF Annotated Clean CN(CCO)c1ccc(-c2nc3c(Br)cncc3[nH]2)cc1 ZINC000587193048 EF Annotated Clean CN(CCO)c1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1 ZINC000587193058 EF Annotated Clean O=C(O)CCN(CCc1nc2ccc(O)cc2[nH]1)Cc1ccccc1 ZINC000587193107 EF Annotated Anodyne CN(CCO)c1ccc(-c2nc3cnc(Br)cc3[nH]2)cc1 ZINC000587193140 EF Annotated Clean CN(CCO)c1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000587193170 EF Annotated Clean CN(CCO)c1ccc(-c2nc3c(Br)nccc3[nH]2)cc1 ZINC000587193255 EF Annotated Clean N#Cc1cccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c12 ZINC000587193344 EF Annotated Mild O=C(O)CCN(CCc1nc2cc(F)cnc2[nH]1)Cc1ccccc1 ZINC000587193412 EF Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(F)cnc2[nH]1 ZINC000587193453 EF Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(F)cnc2[nH]1 ZINC000587193454 EF Annotated Anodyne Cc1ccnc2[nH]c([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)nc12 ZINC000587193491 EF Annotated Anodyne Cc1ccnc2[nH]c([C@H](CCN(C)C)NC(=O)OC(C)(C)C)nc12 ZINC000587193492 EF Annotated Anodyne Cc1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2n1 ZINC000587193711 EF Annotated Anodyne Cc1cncc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587193740 EF Annotated Anodyne Cc1cncc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587193741 EF Annotated Anodyne Cc1cnc2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc2c1 ZINC000587193794 EF Annotated Anodyne N#Cc1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1 ZINC000587193991 EF Annotated Mild Cc1nccc2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc12 ZINC000587193999 EF Annotated Anodyne Cc1cncc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c12 ZINC000587194012 EF Annotated Anodyne Cc1ccnc2[nH]c(CCN(CCC(=O)O)Cc3ccccc3)nc12 ZINC000587194066 EF Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2ccnc(Br)c2[nH]1 ZINC000587194254 EF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cnc(N(C)C)nc3C)nc2c1 ZINC000587194346 EF Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2cc(Br)ncc2[nH]1 ZINC000587194369 EF Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587194453 EF Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587194525 EF Annotated Anodyne CN(C)c1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)nc1 ZINC000587194546 EF Annotated Bother Cc1nccc2[nH]c([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)nc12 ZINC000587194588 EF Annotated Anodyne Cc1nccc2[nH]c([C@H](CCN(C)C)NC(=O)OC(C)(C)C)nc12 ZINC000587194589 EF Annotated Anodyne Cc1cnc2[nH]c([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2c1 ZINC000587194674 EF Annotated Anodyne Cc1cnc2[nH]c([C@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2c1 ZINC000587194676 EF Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2ccc(Br)nc2[nH]1 ZINC000587194738 EF Annotated Anodyne CN(C)c1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)nc1 ZINC000587194815 EF Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587194838 EF Annotated Bother Cc1nc(N(C)C)ncc1-c1nc2cc(Br)cnc2[nH]1 ZINC000587195001 EF Annotated Anodyne CN(C)CCOc1ccc2[nH]c(-c3ccc(N(C)C)cn3)nc2c1 ZINC000587195070 EF Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2cncc(Br)c2[nH]1 ZINC000587195251 EF Annotated Anodyne N=c1[nH]cc2nc(CN(Cc3ccccc3)c3ccccc3)nc-2[nH]1 ZINC000587195300 EF Annotated Anodyne CN(C)c1ncccc1-c1nc2c(Br)ncc(F)c2[nH]1 ZINC000587195396 EF Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587195422 EF Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587195465 EF Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2c(Br)ccnc2[nH]1 ZINC000587195467 EF Annotated Anodyne CN(C)CCOc1ccc2[nH]c(-c3cccnc3N(C)C)nc2c1 ZINC000587195563 EF Annotated Anodyne Cc1nc2[nH]c(-c3cnc(N(C)C)nc3C)nc2cc1Br ZINC000587195659 EF Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587195669 EF Annotated Anodyne Oc1nc(O)c2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2n1 ZINC000587195908 EF Annotated Anodyne N=c1nc(O)c2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2[nH]1 ZINC000587196038 EF Annotated Anodyne C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587196073 EF Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587196075 EF Annotated Anodyne CN(C)c1ncccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587196223 EF Annotated Bother CC(C)(C)OC(=O)N(Cc1nc2cnccc2[nH]1)C[C@H]1CCCO1 ZINC000587196788 EF Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cnccc2[nH]1)C[C@@H]1CCCO1 ZINC000587196789 EF Annotated Anodyne CC(C)Oc1cc2nc(CC(=O)N(C)C)[nH]c2cc1Br ZINC000587197118 EF Annotated Anodyne CCCOc1cc2nc(CC(=O)N(C)C)[nH]c2cc1Br ZINC000587197502 EF Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccnc(O)c2[nH]1)C[C@H]1CCCO1 ZINC000587197732 EF Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccnc(O)c2[nH]1)C[C@@H]1CCCO1 ZINC000587197734 EF Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cnncc2[nH]1 ZINC000587198005 EF Annotated Anodyne CC(C)[C@@H](c1nc2cc(I)cnc2[nH]1)N(C)C ZINC000587198169 EF Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cncnc2[nH]1 ZINC000587198373 EF Annotated Anodyne CC(C)[C@@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)N(C)C ZINC000587198482 EF Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ncc[nH]c-2n1 ZINC000587198579 EF Annotated Anodyne CC1=C(c2ccc3nc([C@H](C(C)C)N(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587198757 EF Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(=N)[nH]cc2[nH]1 ZINC000587200912 EF Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc[nH]c(=N)c2[nH]1 ZINC000587201308 EF Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c(N)ncnc2[nH]1 ZINC000587201425 EF Annotated Anodyne COc1ccc(NC(C)(C)c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 ZINC000587201436 EF Annotated Anodyne COc1ccc(NC(C)(C)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000587201512 EF Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c(O)ncnc2[nH]1 ZINC000587201525 EF Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cnnc(O)c2[nH]1 ZINC000587201536 EF Annotated Anodyne COc1ccc(NC(C)(C)c2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000587201836 EF Annotated Anodyne COc1ccc(NC(C)(C)c2nc3ccc(C(=O)NN)cc3[nH]2)cc1 ZINC000587201868 EF Annotated Reactive CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cnncc3[nH]2)c1 ZINC000587202289 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2c(O)ncnc2[nH]1)C(C)(C)C ZINC000587202429 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(O)ncnc2[nH]1)C(C)(C)C ZINC000587202432 EF Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c12 ZINC000587202798 EF Annotated Anodyne Cc1c(Cl)ccc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c12 ZINC000587202804 EF Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cncnc3[nH]2)c1 ZINC000587202815 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc[nH]c(=N)c2[nH]1)C(C)(C)C ZINC000587202855 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc[nH]c(=N)c2[nH]1)C(C)(C)C ZINC000587202860 EF Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc3ccccc3cc2[nH]1 ZINC000587203157 EF Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc3ccccc3cc2[nH]1 ZINC000587203158 EF Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587203487 EF Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587203492 EF Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587203942 EF Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587203943 EF Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c12 ZINC000587203944 EF Annotated Anodyne Cc1cc(Cl)cc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c12 ZINC000587203945 EF Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ncc[nH]c-3n2)c1 ZINC000587203965 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cnnc(O)c2[nH]1)C(C)(C)C ZINC000587204118 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cnnc(O)c2[nH]1)C(C)(C)C ZINC000587204120 EF Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587204302 EF Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587204303 EF Annotated Anodyne CC(=O)N[C@H](Cc1nc2nc(Cl)c[nH]c-2n1)c1ccc(C)cc1 ZINC000587205567 EF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2nc(Cl)c[nH]c-2n1)c1ccc(C)cc1 ZINC000587205568 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(=N)[nH]cc2[nH]1)C(C)(C)C ZINC000587206026 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(=N)[nH]cc2[nH]1)C(C)(C)C ZINC000587206028 EF Annotated Anodyne CC(=O)N[C@H](Cc1nc2cnc(Cl)[nH]c-2n1)c1ccc(C)cc1 ZINC000587206370 EF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cnc(Cl)[nH]c-2n1)c1ccc(C)cc1 ZINC000587206371 EF Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(Cl)ncnc2[nH]1)c1ccc(C)cc1 ZINC000587207773 EF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(Cl)ncnc2[nH]1)c1ccc(C)cc1 ZINC000587207774 EF Annotated Anodyne O=C(O)Cc1c(C(=O)O)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587207854 EF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CS(=O)(=O)CC3 ZINC000587209979 EF Annotated Anodyne CCOC(=O)[C@@H]([C@H]1CCc2c(nc3cccc4c3c2CC4)C1)[N+](=O)[O-] ZINC000587210510 EF Annotated Mild CCOC(=O)[C@@H]([C@@H]1CCc2c(nc3cccc4c3c2CC4)C1)[N+](=O)[O-] ZINC000587210513 EF Annotated Mild CCOC(=O)[C@H]([C@H]1CCc2c(nc3cccc4c3c2CC4)C1)[N+](=O)[O-] ZINC000587210514 EF Annotated Mild CCOC(=O)[C@H]([C@@H]1CCc2c(nc3cccc4c3c2CC4)C1)[N+](=O)[O-] ZINC000587210515 EF Annotated Mild CN(C)/C=C(/c1cc2c3c(cccc3n1)CC2)n1cc([N+](=O)[O-])cn1 ZINC000587210791 EF Annotated Bother CCOC(=O)[C@H]([C@@H]1CCCc2nc3cccc4c3c(c21)CC4)[N+](=O)[O-] ZINC000587211070 EF Annotated Mild CCOC(=O)C(Cc1cc2c3c(cccc3n1)CC2)C(=O)OCC ZINC000587211071 EF Annotated Anodyne CCOC(=O)[C@@H]([C@@H]1CCCc2nc3cccc4c3c(c21)CC4)[N+](=O)[O-] ZINC000587211072 EF Annotated Mild CCOC(=O)[C@@H]([C@H]1CCCc2nc3cccc4c3c(c21)CC4)[N+](=O)[O-] ZINC000587211073 EF Annotated Mild CCOC(=O)[C@H]([C@H]1CCCc2nc3cccc4c3c(c21)CC4)[N+](=O)[O-] ZINC000587211074 EF Annotated Mild C[C@@H]1c2c(nc3cccc4c3c2CC4)[C@H](CC(=O)O)[C@H]1C[N+](=O)[O-] ZINC000587211232 EF Annotated Bother C[C@H]1c2c(nc3cccc4c3c2CC4)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587211236 EF Annotated Bother C[C@@H]1c2c(nc3cccc4c3c2CC4)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587211237 EF Annotated Bother C[C@@H]1c2c(nc3cccc4c3c2CC4)[C@@H](CC(=O)O)[C@H]1C[N+](=O)[O-] ZINC000587211239 EF Annotated Bother C[C@@H]1c2c(nc3cccc4c3c2CC4)[C@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587211240 EF Annotated Bother CCOC(=O)[C@H]1Cc2nc3cccc4c3c(c2[C@H]1C(=O)OCC)CC4 ZINC000587211392 EF Annotated Anodyne C[C@@H](Oc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1)C(=O)NN ZINC000587211393 EF Annotated Reactive C[C@H](Oc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1)C(=O)NN ZINC000587211395 EF Annotated Reactive O=C1Cc2c(nc3cccc4c3c2CC4)CCN1C[C@@H]1CCCCO1 ZINC000587211540 EF Annotated Anodyne O=C1Cc2c(nc3cccc4c3c2CC4)CCN1C[C@H]1CCCCO1 ZINC000587211542 EF Annotated Anodyne CCOC(=O)CCc1c(CC(=O)OCC)nc2cccc3c2c1CC3 ZINC000587211734 EF Annotated Anodyne COC(=O)[C@H]1c2ccc(OC)nc2Cc2c1nc1cccc3c1c2CC3 ZINC000587211787 EF Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2Cc2c1nc1cccc3c1c2CC3 ZINC000587211788 EF Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)c1cc2c3c(cccc3n1)CC2 ZINC000587211943 EF Annotated Anodyne CCOC(=O)C[C@@H](C(=O)OCC)c1cc2c3c(cccc3n1)CC2 ZINC000587211949 EF Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1nc2cccc3c2c(c1C)CC3 ZINC000587212176 EF Annotated Anodyne C=C(C)C(=O)OCCOC(=O)Cc1cc2c3c(cccc3n1)CC2 ZINC000587212195 EF Annotated Mild CCOC(=O)[C@@H]1C[C@H]2c3c(nc4cccc5c4c3CC5)CC[C@H]2CN1 ZINC000587212265 EF Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4cccc5c4c3CC5)CC[C@@H]2CN1 ZINC000587212269 EF Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4cccc5c4c3CC5)CC[C@@H]2CN1 ZINC000587212271 EF Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4cccc5c4c3CC5)CC[C@H]2CN1 ZINC000587212274 EF Annotated Anodyne CCOC(=O)CCCC(=O)NCCc1cnc2cccc3c2c1CC3 ZINC000587212654 EF Annotated Anodyne COC(=O)C1(c2cc3c4c(cccc4n2)CC3)CC(OC)(OC)C1 ZINC000587212774 EF Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1c(C)nc2cccc3c2c1CC3 ZINC000587212776 EF Annotated Anodyne O=c1oc(=O)n(Cc2cc3c4c(cccc4n2)CC3)c2ccccc12 ZINC000587212883 EF Annotated Anodyne CCOC(=O)Cc1nc2cccc3c2c(c1CC(=O)OCC)CC3 ZINC000587213033 EF Annotated Anodyne CCOC(=O)CCc1nc2cccc3c2c(c1CC(=O)OCC)CC3 ZINC000587213063 EF Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4cccc5c4c(c3C[C@@H]2CN1)CC5 ZINC000587213375 EF Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4cccc5c4c(c3C[C@@H]2CN1)CC5 ZINC000587213377 EF Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4cccc5c4c(c3C[C@H]2CN1)CC5 ZINC000587213379 EF Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4cccc5c4c(c3C[C@H]2CN1)CC5 ZINC000587213381 EF Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc(C)cc1 ZINC000587216374 EF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc(C)cc1 ZINC000587216376 EF Annotated Anodyne CNS(=O)(=O)c1sccc1-c1cc2c3c(cccc3n1)CC2 ZINC000587216436 EF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)c1ccc(C)cc1 ZINC000587216519 EF Annotated Bother CC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)c1ccc(C)cc1 ZINC000587216520 EF Annotated Bother CC(=O)N[C@H](Cc1nc2ccc(CCO)cc2[nH]1)c1ccc(C)cc1 ZINC000587216837 EF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(CCO)cc2[nH]1)c1ccc(C)cc1 ZINC000587216838 EF Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)c1nc3cccc4c3c(c12)CC4 ZINC000587216881 EF Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(N)(=O)=O)c1nc3cccc4c3c(c12)CC4 ZINC000587216882 EF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cccc(C(=O)O)c2[nH]1)c1ccc(C)cc1 ZINC000587216886 EF Annotated Anodyne CC(=O)N[C@H](Cc1nc2cccc(C(=O)O)c2[nH]1)c1ccc(C)cc1 ZINC000587216887 EF Annotated Anodyne CC(=O)N[C@H](Cc1nc2cncc([N+](=O)[O-])c2[nH]1)c1ccc(C)cc1 ZINC000587217587 EF Annotated Bother CC(=O)N[C@@H](Cc1nc2cncc([N+](=O)[O-])c2[nH]1)c1ccc(C)cc1 ZINC000587217588 EF Annotated Bother CN[C@H](c1cccnc1)c1nc2cc(Br)c(C)nc2[nH]1 ZINC000587220906 EF Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cc(Br)c(C)nc2[nH]1 ZINC000587220912 EF Annotated Anodyne CN[C@H](c1cccnc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587221806 EF Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587221807 EF Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ncc[nH]c-2n1)c1ccccc1 ZINC000587222914 EF Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ncc[nH]c-2n1)c1ccccc1 ZINC000587222915 EF Annotated Anodyne CN[C@H](c1cccnc1)c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587222956 EF Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587222957 EF Annotated Anodyne CN[C@H](c1cccnc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587222991 EF Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587222993 EF Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587222998 EF Annotated Mild CN[C@@H](c1cccnc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587223000 EF Annotated Mild COc1cc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2cc1F ZINC000587223228 EF Annotated Anodyne COc1cc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2cc1F ZINC000587223233 EF Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(F)c(F)c2[nH]1 ZINC000587223365 EF Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(F)c(F)c2[nH]1 ZINC000587223366 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2c(O)nc(O)nc2[nH]1)C1CCCC1 ZINC000587223442 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2c(O)nc(O)nc2[nH]1)C1CCCC1 ZINC000587223443 EF Annotated Anodyne N=c1[nH]ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 ZINC000587223621 EF Annotated Anodyne N=c1[nH]ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 ZINC000587223623 EF Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cncc(Cl)c2[nH]1 ZINC000587223722 EF Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cncc(Cl)c2[nH]1 ZINC000587223723 EF Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587223758 EF Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587223760 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2c(N)ncnc2[nH]1)C1CCCC1 ZINC000587224139 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2c(N)ncnc2[nH]1)C1CCCC1 ZINC000587224140 EF Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(Cl)nc2[nH]1 ZINC000587224192 EF Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(Cl)nc2[nH]1 ZINC000587224193 EF Annotated Anodyne COc1cccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c12 ZINC000587224232 EF Annotated Anodyne COc1cccc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c12 ZINC000587224241 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cnnc(O)c2[nH]1)C1CCCC1 ZINC000587224259 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cnnc(O)c2[nH]1)C1CCCC1 ZINC000587224270 EF Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cnnc(O)c2[nH]1)c1ccccc1 ZINC000587224318 EF Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cnnc(O)c2[nH]1)c1ccccc1 ZINC000587224321 EF Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(F)c(F)cc2[nH]1 ZINC000587224425 EF Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(F)c(F)cc2[nH]1 ZINC000587224429 EF Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cncnc2[nH]1)c1ccccc1 ZINC000587224882 EF Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cncnc2[nH]1)c1ccccc1 ZINC000587224894 EF Annotated Anodyne CN[C@H](c1cccnc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587224932 EF Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587224934 EF Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 ZINC000587225030 EF Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 ZINC000587225031 EF Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)ncc2[nH]1 ZINC000587225218 EF Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)ncc2[nH]1 ZINC000587225219 EF Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587225249 EF Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587225250 EF Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2c(Cl)ccnc2[nH]1 ZINC000587225299 EF Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2c(Cl)ccnc2[nH]1 ZINC000587225301 EF Annotated Anodyne N=c1cc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c[nH]1 ZINC000587225338 EF Annotated Anodyne N=c1cc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c[nH]1 ZINC000587225340 EF Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(O)ncnc2[nH]1)c1ccccc1 ZINC000587225507 EF Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(O)ncnc2[nH]1)c1ccccc1 ZINC000587225509 EF Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccnc(Cl)c2[nH]1 ZINC000587225805 EF Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccnc(Cl)c2[nH]1 ZINC000587225806 EF Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cnncc2[nH]1)c1ccccc1 ZINC000587226000 EF Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cnncc2[nH]1)c1ccccc1 ZINC000587226003 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2c(O)ncnc2[nH]1)C1CCCC1 ZINC000587226105 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2c(O)ncnc2[nH]1)C1CCCC1 ZINC000587226106 EF Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(F)cc(F)c2[nH]1 ZINC000587226456 EF Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(F)cc(F)c2[nH]1 ZINC000587226458 EF Annotated Anodyne CCOC(=O)CNc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000587227656 EF Annotated Anodyne CCOC(=O)CNc1ccc(-c2nc3ncnc(Cl)c3[nH]2)cc1 ZINC000587227721 EF Annotated Anodyne O=C(O)CNCCNCc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587228826 EF Annotated Bother COc1ccc(C)cc1NCCCc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587229292 EF Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2c(O)nc(S)nc2[nH]1 ZINC000587229293 EF Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3cncnc3[nH]2)c1 ZINC000587229388 EF Annotated Mild COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Cl)ncc2[nH]1 ZINC000587229398 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Cl)ncc2[nH]1 ZINC000587229399 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Cl)ncc2[nH]1 ZINC000587229400 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)ncc2[nH]1 ZINC000587229401 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccnc(Cl)c2[nH]1 ZINC000587229489 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccnc(Cl)c2[nH]1 ZINC000587229490 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccnc(Cl)c2[nH]1 ZINC000587229492 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccnc(Cl)c2[nH]1 ZINC000587229493 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(Cl)nc2[nH]1 ZINC000587229781 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(Cl)nc2[nH]1 ZINC000587229782 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(Cl)nc2[nH]1 ZINC000587229783 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(Cl)nc2[nH]1 ZINC000587229786 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(C)nc(C)cc2[nH]1 ZINC000587229829 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(C)nc(C)cc2[nH]1 ZINC000587229830 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c(C)nc(C)cc2[nH]1 ZINC000587229831 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(C)nc(C)cc2[nH]1 ZINC000587229832 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(F)c(F)c2[nH]1 ZINC000587229872 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(F)c(F)c2[nH]1 ZINC000587229874 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(F)c(F)c2[nH]1 ZINC000587229875 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(F)c(F)c2[nH]1 ZINC000587229877 EF Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3cnncc3[nH]2)c1 ZINC000587229972 EF Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cc[nH]c(=N)c3[nH]2)c1 ZINC000587230003 EF Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3cnnc(O)c3[nH]2)c1 ZINC000587230048 EF Annotated Mild CCNC(=O)CCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587230083 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(F)c(F)cc2[nH]1 ZINC000587230192 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(F)c(F)cc2[nH]1 ZINC000587230193 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(F)c(F)cc2[nH]1 ZINC000587230194 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(F)c(F)cc2[nH]1 ZINC000587230195 EF Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3cc(=N)[nH]cc3[nH]2)c1 ZINC000587230399 EF Annotated Mild COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cncc(Cl)c2[nH]1 ZINC000587230482 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cncc(Cl)c2[nH]1 ZINC000587230483 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cncc(Cl)c2[nH]1 ZINC000587230484 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cncc(Cl)c2[nH]1 ZINC000587230485 EF Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3ncc[nH]c-3n2)c1 ZINC000587230662 EF Annotated Mild COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Cl)cnc2[nH]1 ZINC000587230861 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)cnc2[nH]1 ZINC000587230863 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Cl)cnc2[nH]1 ZINC000587230865 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Cl)cnc2[nH]1 ZINC000587230866 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(C(C)=O)cc2[nH]1 ZINC000587230971 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(C(C)=O)cc2[nH]1 ZINC000587230972 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(C(C)=O)cc2[nH]1 ZINC000587230973 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(C(C)=O)cc2[nH]1 ZINC000587230974 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(F)cc(F)c2[nH]1 ZINC000587230994 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(F)cc(F)c2[nH]1 ZINC000587230995 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(F)cc(F)c2[nH]1 ZINC000587230996 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(F)cc(F)c2[nH]1 ZINC000587230997 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587231031 EF Annotated Bother COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587231033 EF Annotated Bother COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587231034 EF Annotated Bother COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587231036 EF Annotated Bother CCNC(=O)CCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587231323 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(OC)c(F)cc2[nH]1 ZINC000587232277 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(OC)c(F)cc2[nH]1 ZINC000587232278 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(OC)c(F)cc2[nH]1 ZINC000587232279 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(OC)c(F)cc2[nH]1 ZINC000587232280 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cccc(OC)c2[nH]1 ZINC000587232312 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cccc(OC)c2[nH]1 ZINC000587232313 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cccc(OC)c2[nH]1 ZINC000587232314 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cccc(OC)c2[nH]1 ZINC000587232315 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(Cl)ccnc2[nH]1 ZINC000587232428 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(Cl)ccnc2[nH]1 ZINC000587232429 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(Cl)ccnc2[nH]1 ZINC000587232431 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c(Cl)ccnc2[nH]1 ZINC000587232434 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(OC)c(C)cc2[nH]1 ZINC000587232542 EF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(OC)c(C)cc2[nH]1 ZINC000587232543 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(OC)c(C)cc2[nH]1 ZINC000587232544 EF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(OC)c(C)cc2[nH]1 ZINC000587232545 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(N)c(N)cc2[nH]1 ZINC000587232840 EF Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)c2)c1 ZINC000587232864 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(N)c(N)cc2[nH]1 ZINC000587232892 EF Annotated Anodyne CC(=O)NC1(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CCC(C)CC1 ZINC000587233701 EF Annotated Anodyne CC(=O)NC1(c2nc3cc4c(cc3[nH]2)OCCO4)CCC(C)CC1 ZINC000587233807 EF Annotated Anodyne CC(=O)NC1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)CCC(C)CC1 ZINC000587234252 EF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cnccc3[nH]2)CCC(=O)CC1 ZINC000587234314 EF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(F)cnc3[nH]2)CCC(=O)CC1 ZINC000587234483 EF Annotated Anodyne CC(=O)NC1(c2nc3ccc([C@H](N)N=O)cc3[nH]2)CCC(C)CC1 ZINC000587234575 EF Annotated Anodyne CC(=O)NC1(c2nc3ccc([C@@H](N)N=O)cc3[nH]2)CCC(C)CC1 ZINC000587234576 EF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cccnc3[nH]2)CCC(=O)CC1 ZINC000587234578 EF Annotated Anodyne CC(=O)NC1(c2nc3ccc(C(=O)N(C)C)cc3[nH]2)CCC(C)CC1 ZINC000587234654 EF Annotated Anodyne CC(=O)NC1(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)CCC(C)CC1 ZINC000587234666 EF Annotated Anodyne CC(=O)NC1(c2nc3cc(F)cc(C(=O)O)c3[nH]2)CCC(C)CC1 ZINC000587234798 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(=N)[nH]cc2[nH]1 ZINC000587234879 EF Annotated Anodyne COC(=O)c1ccc2nc(C3(NC(C)=O)CCC(C)CC3)[nH]c2c1 ZINC000587234908 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cnnc(O)c2[nH]1 ZINC000587234926 EF Annotated Anodyne CC(=O)NC1(c2nc3cc(C(=O)O)c(F)cc3[nH]2)CCC(C)CC1 ZINC000587234934 EF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccnc(O)c3[nH]2)CCC(=O)CC1 ZINC000587234945 EF Annotated Anodyne CNC(=O)[C@H]1C[C@@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587235122 EF Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587235123 EF Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587235124 EF Annotated Anodyne CNC(=O)[C@H]1C[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587235125 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc[nH]c(=N)c2[nH]1 ZINC000587235231 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c(O)ncnc2[nH]1 ZINC000587235251 EF Annotated Anodyne CNC(=O)[C@H]1C[C@@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587235654 EF Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587235655 EF Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587235656 EF Annotated Anodyne CNC(=O)[C@H]1C[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587235658 EF Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587236159 EF Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587236160 EF Annotated Anodyne CNC(=O)[C@H]1C[C@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587236161 EF Annotated Anodyne CNC(=O)[C@H]1C[C@@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587236162 EF Annotated Anodyne Cc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2n1 ZINC000587236537 EF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(O)cc3[nH]2)CCC(O)CC1 ZINC000587236584 EF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cccc(O)c3[nH]2)CCC(O)CC1 ZINC000587236907 EF Annotated Anodyne Cc1cnc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)nc2c1 ZINC000587236929 EF Annotated Anodyne Cc1cncc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c12 ZINC000587237034 EF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cnccc3[nH]2)CCC(O)CC1 ZINC000587237504 EF Annotated Anodyne Cc1ccnc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)nc12 ZINC000587237581 EF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cccnc3[nH]2)CCC(O)CC1 ZINC000587237778 EF Annotated Anodyne Cc1nccc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)nc12 ZINC000587237814 EF Annotated Anodyne Cc1ccc(NC2(c3nc4c(O)nc(O)nc4[nH]3)CCCC2)cc1 ZINC000587237817 EF Annotated Anodyne COC(=O)c1ccc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2n1 ZINC000587238484 EF Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3c(S)nc(S)nc3[nH]2)c1C ZINC000587238941 EF Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1C ZINC000587238952 EF Annotated Bother Cc1c(NC(N)=O)cccc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587238956 EF Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587239155 EF Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cncc([N+](=O)[O-])c3[nH]2)c1C ZINC000587239232 EF Annotated Bother Cc1cccc(NC(=O)Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)c1C ZINC000587239601 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c(CC(=O)Nc3cccc(C)c3C)nc12 ZINC000587239658 EF Annotated Anodyne COC(=O)c1cc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2cn1 ZINC000587239742 EF Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587240064 EF Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2c(O)nc(=N)[nH]c2[nH]1 ZINC000587240627 EF Annotated Anodyne CCc1ccccc1NC(=O)c1nc2cc3c(cc2[nH]1)NC(=O)CO3 ZINC000587240746 EF Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587240761 EF Annotated Anodyne CCc1ccccc1NC(=O)c1nc2nc(Br)c[nH]c-2n1 ZINC000587240923 EF Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587240973 EF Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587241107 EF Annotated Mild CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cnnc(O)c3[nH]2)c1 ZINC000587241418 EF Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3c(O)ncnc3[nH]2)c1 ZINC000587241648 EF Annotated Anodyne NC(=O)Nc1cccc(-c2nc3ccnc(Br)c3[nH]2)c1 ZINC000587241685 EF Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 ZINC000587241893 EF Annotated Anodyne Oc1ccc(Nc2cccc(-c3nc4c(O)nc(O)nc4[nH]3)c2)cc1 ZINC000587241926 EF Annotated Anodyne CC(C)(C)C(=O)Nc1cccc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)c1 ZINC000587241946 EF Annotated Mild NC(=O)Nc1cccc(-c2nc3cncc(Br)c3[nH]2)c1 ZINC000587242010 EF Annotated Anodyne NC(=O)Nc1cccc(-c2nc3c(Br)ccnc3[nH]2)c1 ZINC000587242177 EF Annotated Anodyne N=c1nc(O)c2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2[nH]1 ZINC000587242196 EF Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587242216 EF Annotated Anodyne CC(C)(C)C(=O)Nc1cccc(-c2nc3c(O)nc(S)nc3[nH]2)c1 ZINC000587242324 EF Annotated Anodyne CC(C)(C)CC(=O)Nc1cccc(-c2nc3c(O)nc(=N)[nH]c3[nH]2)c1 ZINC000587242403 EF Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1 ZINC000587242421 EF Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3c(N)ncnc3[nH]2)c1 ZINC000587242636 EF Annotated Anodyne COC(=O)Nc1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000587243231 EF Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccnc(O)c3[nH]2)cc1 ZINC000587243876 EF Annotated Anodyne O=C(/C=C\c1nc2cc3c(cc2[nH]1)OCC(=O)N3)Nc1ccccc1 ZINC000587243892 EF Annotated Anodyne O=C(/C=C/c1nc2cc3c(cc2[nH]1)OCC(=O)N3)Nc1ccccc1 ZINC000587243899 EF Annotated Anodyne CC(C)Oc1cc2nc(COCCN)[nH]c2cc1Br ZINC000587244116 EF Annotated Anodyne NCCOCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587244129 EF Annotated Anodyne NCCOCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587244277 EF Annotated Anodyne NCCOCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587244419 EF Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc[nH]c(=N)c3[nH]2)cc1 ZINC000587244434 EF Annotated Anodyne NCCOCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587244468 EF Annotated Anodyne CCCOc1cc2nc(COCCN)[nH]c2cc1Br ZINC000587244609 EF Annotated Anodyne NCCOCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587244656 EF Annotated Anodyne CCCCOc1cc2nc(COCCN)[nH]c2cc1Br ZINC000587244739 EF Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(N)ccnc3[nH]2)cc1 ZINC000587244883 EF Annotated Anodyne NCCOCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587244992 EF Annotated Anodyne CC(C)COc1cc2nc(COCCN)[nH]c2cc1Br ZINC000587245004 EF Annotated Anodyne COC(=O)Nc1ccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cn1 ZINC000587245097 EF Annotated Anodyne COC(=O)Nc1ccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cn1 ZINC000587245098 EF Annotated Anodyne COC(=O)Nc1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cn1 ZINC000587245423 EF Annotated Anodyne COC(=O)Nc1ccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cn1 ZINC000587245447 EF Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cn1 ZINC000587245807 EF Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(COCCN)[nH]c3c2)cc1 ZINC000587245928 EF Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc4c(cc3[nH]1)OCO4)C2 ZINC000587245941 EF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc4c(cc3[nH]1)OCO4)C2 ZINC000587245942 EF Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(C#N)c(C#N)cc3[nH]1)C2 ZINC000587245944 EF Annotated Mild COc1ccc2c(c1)CC[C@](N)(c1nc3cc(C#N)c(C#N)cc3[nH]1)C2 ZINC000587245947 EF Annotated Mild COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Cl)ncc3[nH]1)C2 ZINC000587245962 EF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Cl)ncc3[nH]1)C2 ZINC000587245966 EF Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3c(Cl)ccnc3[nH]1)C2 ZINC000587245968 EF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3c(Cl)ccnc3[nH]1)C2 ZINC000587245969 EF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cccc([N+](=O)[O-])c3[nH]1)C2 ZINC000587245975 EF Annotated Bother COc1ccc2c(c1)CC[C@@](N)(c1nc3cccc([N+](=O)[O-])c3[nH]1)C2 ZINC000587245976 EF Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@H]3CC[C@@H](N)C3)nc2c1 ZINC000587246140 EF Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc4cn[nH]c4cc3[nH]1)C2 ZINC000587246324 EF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc4cn[nH]c4cc3[nH]1)C2 ZINC000587246326 EF Annotated Anodyne NCCOCCOCCc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587246333 EF Annotated Anodyne N[C@@H]1CC[C@H](c2nc3cccc(I)c3[nH]2)C1 ZINC000587246602 EF Annotated Anodyne CC(C)Oc1cc2nc([C@]3(N)CCOC3)[nH]c2cc1Br ZINC000587246639 EF Annotated Anodyne CC(C)Oc1cc2nc([C@@]3(N)CCOC3)[nH]c2cc1Br ZINC000587246641 EF Annotated Anodyne N[C@H]1CC[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587246753 EF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CC[C@@H]3N)nc2c1 ZINC000587246779 EF Annotated Anodyne NCc1cccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000587246974 EF Annotated Anodyne N[C@@H]1CC[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C1 ZINC000587247010 EF Annotated Bother N[C@@H]1CC[C@H](c2nc3ccc(I)cc3[nH]2)C1 ZINC000587247026 EF Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cncc(Cl)c3[nH]1)C2 ZINC000587247306 EF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cncc(Cl)c3[nH]1)C2 ZINC000587247307 EF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc([N+](=O)[O-])cc3[nH]1)C2 ZINC000587247315 EF Annotated Bother COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc([N+](=O)[O-])cc3[nH]1)C2 ZINC000587247316 EF Annotated Bother N[C@@H]1CC[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C1 ZINC000587247320 EF Annotated Bother CCCOc1cc2nc([C@]3(N)CCOC3)[nH]c2cc1Br ZINC000587247347 EF Annotated Anodyne CCCOc1cc2nc([C@@]3(N)CCOC3)[nH]c2cc1Br ZINC000587247348 EF Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(Cl)nc3[nH]1)C2 ZINC000587247400 EF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(Cl)nc3[nH]1)C2 ZINC000587247403 EF Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Cl)cnc3[nH]1)C2 ZINC000587247622 EF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Cl)cnc3[nH]1)C2 ZINC000587247623 EF Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccnc(Cl)c3[nH]1)C2 ZINC000587247672 EF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccnc(Cl)c3[nH]1)C2 ZINC000587247673 EF Annotated Anodyne N[C@@H]1CC[C@H](c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C1 ZINC000587247674 EF Annotated Clean Nc1cccc(-c2nc3ccnc(Br)c3[nH]2)c1C(=O)O ZINC000587248040 EF Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2c(Br)ccnc2[nH]1 ZINC000587248078 EF Annotated Anodyne Nc1cccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1C(=O)O ZINC000587248086 EF Annotated Anodyne Nc1cccc(-c2nc3ccc(Br)c(O)c3[nH]2)c1C(=O)O ZINC000587248124 EF Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2cc(Br)cnc2[nH]1 ZINC000587248234 EF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(N)c3C(=O)O)nc2c1 ZINC000587248330 EF Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2cncc(Br)c2[nH]1 ZINC000587248337 EF Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2ccnc(Br)c2[nH]1 ZINC000587248339 EF Annotated Anodyne Cc1nc2[nH]c(-c3c(N)cccc3C(=O)O)nc2cc1Br ZINC000587248369 EF Annotated Anodyne Nc1cccc(-c2nc3c(Br)ccnc3[nH]2)c1C(=O)O ZINC000587248385 EF Annotated Anodyne Cc1nc2[nH]c(-c3cccc(N)c3C(=O)O)nc2cc1Br ZINC000587248412 EF Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587248437 EF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3c(N)cccc3C(=O)O)nc2c1 ZINC000587248452 EF Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(OC)cc(C)c3N)[nH]c2c1OC ZINC000587248515 EF Annotated Anodyne Nc1cccc(-c2nc3cc(Br)ncc3[nH]2)c1C(=O)O ZINC000587248550 EF Annotated Anodyne Nc1cccc(-c2nc3ccc(Br)nc3[nH]2)c1C(=O)O ZINC000587248748 EF Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2ccc(Br)nc2[nH]1 ZINC000587248782 EF Annotated Anodyne Nc1cccc(-c2nc3cncc(Br)c3[nH]2)c1C(=O)O ZINC000587248800 EF Annotated Anodyne Nc1cc(C(=O)O)cc(-c2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000587248839 EF Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587248850 EF Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587248904 EF Annotated Bother Nc1cccc(-c2nc3cc(Br)cnc3[nH]2)c1C(=O)O ZINC000587248917 EF Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2ccc(Br)nc2[nH]1 ZINC000587248922 EF Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587248927 EF Annotated Anodyne Nc1cc(-c2nc3ccnc(Br)c3[nH]2)ccc1CC(=O)O ZINC000587248983 EF Annotated Anodyne CCOC(=O)c1ccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2c1 ZINC000587248986 EF Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cc(Br)cnc2[nH]1 ZINC000587249024 EF Annotated Anodyne Nc1cccc(O)c1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587249181 EF Annotated Anodyne Nc1cc(C(=O)O)cc(-c2nc3ccc(Br)nc3[nH]2)c1 ZINC000587249276 EF Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2ccnc(Br)c2[nH]1 ZINC000587249313 EF Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cc(Br)ncc2[nH]1 ZINC000587249328 EF Annotated Anodyne Nc1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)ccc1CC(=O)O ZINC000587249337 EF Annotated Anodyne Nc1cc(-c2nc3cncc(Br)c3[nH]2)ccc1CC(=O)O ZINC000587249388 EF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(N)cc(C(=O)O)c3)nc2c1 ZINC000587249465 EF Annotated Anodyne Cc1nc2[nH]c(-c3cc(N)cc(C(=O)O)c3)nc2cc1Br ZINC000587249551 EF Annotated Anodyne Nc1cc(C(=O)O)cc(-c2nc3ccnc(Br)c3[nH]2)c1 ZINC000587249552 EF Annotated Anodyne N=c1cc[nH]cc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587249648 EF Annotated Clean N#Cc1cc(-c2nc3c(F)cnc(Br)c3[nH]2)ccc1N ZINC000587249662 EF Annotated Mild CCOC(=O)Cc1ccc2nc(-c3c(N)cccc3C(=O)O)[nH]c2c1 ZINC000587249720 EF Annotated Anodyne Nc1cccc(O)c1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587249745 EF Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2c(Br)ccnc2[nH]1 ZINC000587249749 EF Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cccc(N)c3C(=O)O)[nH]c2c1 ZINC000587249787 EF Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cncc(Br)c2[nH]1 ZINC000587249824 EF Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587249834 EF Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(Cc3ccc(C(=O)O)cc3N)nc2c1 ZINC000587249863 EF Annotated Mild Nc1cc(C(=O)O)ccc1Cc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587249885 EF Annotated Anodyne N=c1cc[nH]cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587249912 EF Annotated Bother N=c1cc[nH]cc1-c1nc2ccc(I)cc2[nH]1 ZINC000587249956 EF Annotated Anodyne N=c1cc[nH]cc1-c1nc2cccc(I)c2[nH]1 ZINC000587250014 EF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3c[nH]ccc3=N)nc2c1 ZINC000587250182 EF Annotated Anodyne N=c1cc[nH]cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587250187 EF Annotated Bother Nc1cc(C(=O)O)cc(-c2nc3cncc(Br)c3[nH]2)c1 ZINC000587250196 EF Annotated Anodyne Nc1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)ccc1CC(=O)O ZINC000587250259 EF Annotated Anodyne Nc1cccc(O)c1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587250344 EF Annotated Anodyne Cc1cc2[nH]c(Cc3ccc(C(=O)O)cc3N)nc2cc1[N+](=O)[O-] ZINC000587250355 EF Annotated Bother COc1cc(C)c(N)c(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587250362 EF Annotated Anodyne COc1cc(C)c(N)c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 ZINC000587250430 EF Annotated Bother COC(=O)c1cc2[nH]c(-c3cc(OC)cc(C)c3N)nc2cc1OC ZINC000587250574 EF Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587250659 EF Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3ccc(CC(=O)O)c(N)c3)nc2c1 ZINC000587250695 EF Annotated Mild N#Cc1nc2nc(-c3ccc(-c4ccccc4N)cc3)nc-2[nH]c1C#N ZINC000587250899 EF Annotated Mild Cc1ccc(CCc2nc3nc(Br)c[nH]c-3n2)cc1N ZINC000587250937 EF Annotated Anodyne Nc1cccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1C(=O)O ZINC000587251123 EF Annotated Anodyne N#Cc1nc(Cl)cc2nc(CCC(=O)c3ccc(N)cc3)[nH]c12 ZINC000587251370 EF Annotated Mild COc1cc(OC)c2[nH]c(CCC(=O)c3ccc(N)cc3)nc2c1 ZINC000587251379 EF Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000587251657 EF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C=C/c3ccc(N)cc3)[nH]c2c1 ZINC000587251815 EF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C=C\c3ccc(N)cc3)[nH]c2c1 ZINC000587251818 EF Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000587251823 EF Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 ZINC000587251848 EF Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 ZINC000587251911 EF Annotated Anodyne Nc1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c2ccccc2c1 ZINC000587251913 EF Annotated Anodyne CN(C)C(=O)c1ccc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2c1 ZINC000587251939 EF Annotated Anodyne COc1cc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2cc1OC ZINC000587252077 EF Annotated Anodyne COc1cncc(N)c1-c1nc2c(O)c(Br)ccc2[nH]1 ZINC000587252411 EF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C/c3ccc(N)cc3)[nH]c12 ZINC000587252479 EF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C\c3ccc(N)cc3)[nH]c12 ZINC000587252482 EF Annotated Anodyne Nc1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c2ccccc2c1 ZINC000587252502 EF Annotated Anodyne COc1cncc(N)c1-c1nc2ncc(Br)c(C)c2[nH]1 ZINC000587252601 EF Annotated Anodyne Nc1cnc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)nc1 ZINC000587252610 EF Annotated Anodyne COc1cncc(N)c1-c1nc2nc(Cl)nc(C(F)(F)F)c2[nH]1 ZINC000587252659 EF Annotated Anodyne COc1cncc(N)c1-c1nc2c(Br)cc(C#N)cc2[nH]1 ZINC000587252776 EF Annotated Mild COc1cncc(N)c1-c1nc2nc(C)c(Br)cc2[nH]1 ZINC000587252903 EF Annotated Anodyne Nc1cnc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)nc1 ZINC000587252981 EF Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3c(N)cncc3OC)[nH]c2c1 ZINC000587252986 EF Annotated Anodyne N=c1nc(O)c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c[nH]1 ZINC000587253097 EF Annotated Anodyne N=c1nc(O)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c[nH]1 ZINC000587253122 EF Annotated Anodyne Cc1cc(Br)c2[nH]c(C3=C(N)C(C)(C)OC3=O)nc2c1 ZINC000587253202 EF Annotated Anodyne N=c1nc(O)c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c[nH]1 ZINC000587253210 EF Annotated Anodyne N=c1cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c2ccccc2[nH]1 ZINC000587253257 EF Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(=N)[nH]c4ccccc34)[nH]c2c1OC ZINC000587253291 EF Annotated Anodyne N=c1ccc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c[nH]1 ZINC000587253304 EF Annotated Bother N=c1nc(O)c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c[nH]1 ZINC000587253328 EF Annotated Anodyne N=c1ccc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c[nH]1 ZINC000587253347 EF Annotated Bother N=c1nc(O)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)c[nH]1 ZINC000587253360 EF Annotated Anodyne Nc1c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)ccc2ccccc12 ZINC000587253364 EF Annotated Anodyne Cc1cc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c2cc1Br ZINC000587253437 EF Annotated Anodyne Cc1c(Br)ccc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c12 ZINC000587253443 EF Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4ccc(CCO)cc4[nH]3)c2)c[nH]1 ZINC000587253457 EF Annotated Anodyne COC(=O)c1cccc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c12 ZINC000587253460 EF Annotated Anodyne N=c1cc(-c2nc3nc(Br)c[nH]c-3n2)c2ccccc2[nH]1 ZINC000587253463 EF Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4cccc(C(=O)O)c4[nH]3)c2)c[nH]1 ZINC000587253469 EF Annotated Anodyne N#Cc1cc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2cc1C#N ZINC000587253472 EF Annotated Mild Nc1cncc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 ZINC000587253530 EF Annotated Clean N=c1nc(O)c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c[nH]1 ZINC000587253536 EF Annotated Clean Nc1cncc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000587253583 EF Annotated Bother N=c1cc(-c2nc3c(S)nc(S)nc3[nH]2)c2ccccc2[nH]1 ZINC000587253629 EF Annotated Anodyne Nc1cncc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 ZINC000587253643 EF Annotated Anodyne N=c1nc(O)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c[nH]1 ZINC000587253865 EF Annotated Anodyne N=c1ccc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)c[nH]1 ZINC000587253925 EF Annotated Anodyne Nc1cncc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000587253990 EF Annotated Bother N=c1nc(O)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c[nH]1 ZINC000587254020 EF Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2)c[nH]1 ZINC000587254160 EF Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCO5)c2)c[nH]1 ZINC000587254169 EF Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c2)c[nH]1 ZINC000587254171 EF Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2)c[nH]1 ZINC000587254194 EF Annotated Anodyne N#Cc1cc(Br)c2[nH]c(Cc3ccc(=N)[nH]c3)nc2c1 ZINC000587254208 EF Annotated Mild Cc1c(Br)cc2nc(-c3c[nH]c(=N)nc3O)[nH]c2c1C ZINC000587254238 EF Annotated Anodyne N=c1ccc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)c[nH]1 ZINC000587254319 EF Annotated Anodyne Nc1ccc(-c2ccc3nc(Cc4cccnc4N)[nH]c3c2)cc1N ZINC000587254332 EF Annotated Anodyne N=c1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c2ccccc2[nH]1 ZINC000587254387 EF Annotated Anodyne Nc1ncccc1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587254393 EF Annotated Anodyne Nc1ncccc1Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587254517 EF Annotated Bother N=c1ccc(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c[nH]1 ZINC000587254525 EF Annotated Anodyne Nc1ncccc1Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587254526 EF Annotated Bother N#Cc1cc(Br)c2[nH]c(Cc3cccnc3N)nc2c1 ZINC000587254578 EF Annotated Mild Nc1cncc(-c2nc3cccc(I)c3[nH]2)c1 ZINC000587254662 EF Annotated Anodyne COc1cncc(N)c1-c1nc2c(Br)ncc(F)c2[nH]1 ZINC000587254723 EF Annotated Anodyne Nc1ncccc1Cc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587254852 EF Annotated Anodyne Nc1ncccc1Cc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587254868 EF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cncc(N)c3)nc2c1 ZINC000587254872 EF Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c2)c[nH]1 ZINC000587254991 EF Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c2)c[nH]1 ZINC000587254992 EF Annotated Anodyne Nc1ncccc1Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587254994 EF Annotated Anodyne CC1(C)OC(=O)C(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)=C1N ZINC000587254997 EF Annotated Anodyne NC1CC(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C1 ZINC000587255035 EF Annotated Bother N=c1ncc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCCO5)c2)c[nH]1 ZINC000587255077 EF Annotated Anodyne NC1CC(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C1 ZINC000587255187 EF Annotated Clean CC1(C)OC(=O)C(c2nc3c4cccnc4c4ncccc4c3[nH]2)=C1N ZINC000587255218 EF Annotated Bother CCCOc1cc2nc([C@H](N)C3COC3)[nH]c2cc1Br ZINC000587255278 EF Annotated Anodyne NC1CC(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C1 ZINC000587255360 EF Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c([C@H](N)C3CC3)nc2c1 ZINC000587255497 EF Annotated Anodyne CC(C)Oc1cc2nc([C@H](N)C3COC3)[nH]c2cc1Br ZINC000587255502 EF Annotated Anodyne N[C@@H](c1nc2c(Br)cnc(Br)c2[nH]1)C1CC1 ZINC000587255513 EF Annotated Anodyne N[C@@H](c1nc2c(I)cnc(Cl)c2[nH]1)C1CC1 ZINC000587255555 EF Annotated Anodyne CC1(C)OC(=O)C(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)=C1N ZINC000587255622 EF Annotated Anodyne CC1(C)OC(=O)C(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)=C1N ZINC000587255634 EF Annotated Anodyne Cc1cc(Br)cc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c12 ZINC000587255655 EF Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587256051 EF Annotated Mild NC1CCC(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CC1 ZINC000587256117 EF Annotated Anodyne COc1cc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2cc1Cl ZINC000587256259 EF Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cnc3ccccc3c2[nH]1 ZINC000587256379 EF Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587256406 EF Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587256446 EF Annotated Anodyne CC(C)Oc1ccc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587256698 EF Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587256737 EF Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587256743 EF Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587256764 EF Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc3ncccc3c2[nH]1 ZINC000587256861 EF Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587256869 EF Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587256870 EF Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587256888 EF Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587256903 EF Annotated Anodyne NC1CCC(c2nc3cc(I)cnc3[nH]2)CC1 ZINC000587256947 EF Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587257016 EF Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587257020 EF Annotated Anodyne NC1CCC(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CC1 ZINC000587257112 EF Annotated Anodyne CC(C)(C)[C@H](N)c1nc2cc(I)cnc2[nH]1 ZINC000587257573 EF Annotated Anodyne CC(C)(C)[C@H](N)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587257592 EF Annotated Anodyne C=CC[C@@](C)(N)c1nc2cccc(I)c2[nH]1 ZINC000587257624 EF Annotated Mild C=CC[C@@](C)(N)c1nc2ccc(I)cc2[nH]1 ZINC000587257689 EF Annotated Mild C=CC[C@@](C)(N)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587257909 EF Annotated Mild C=CC[C@@](C)(N)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587257946 EF Annotated Mild CC(C)(C)[C@H](N)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587258048 EF Annotated Anodyne C=CC[C@@](C)(N)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587258062 EF Annotated Mild C=CC[C@@](C)(N)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587258080 EF Annotated Mild COC(=O)CC[C@H](N)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587258243 EF Annotated Anodyne COC(=O)CC[C@H](N)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587258291 EF Annotated Anodyne COC(=O)CC[C@H](N)c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587258343 EF Annotated Anodyne N[C@@H](Cc1nc2c(O)nc(S)nc2[nH]1)c1cccc2ccccc12 ZINC000587258397 EF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](N)C(C)C)nc2c1 ZINC000587258445 EF Annotated Anodyne COC(=O)CC[C@H](N)c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587258486 EF Annotated Anodyne COC(=O)CC[C@H](N)c1nc2cc(Br)cc(C)c2[nH]1 ZINC000587258592 EF Annotated Anodyne COC(=O)CC[C@H](N)c1nc2cc(C)cc(Br)c2[nH]1 ZINC000587258600 EF Annotated Anodyne N=c1[nH]c2nc(C[C@H](N)c3cccc4ccccc34)nc-2c(Cl)[nH]1 ZINC000587258798 EF Annotated Anodyne COC(=O)CC[C@H](N)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587258892 EF Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c12 ZINC000587258935 EF Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H](N)Cc4cccc(C(N)=O)c4)[nH]c32)n1 ZINC000587259104 EF Annotated Anodyne COC(=O)CC[C@H](N)c1nc2cc(C)c(Br)cc2[nH]1 ZINC000587259219 EF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](N)C(C)(C)C)[nH]c2c1 ZINC000587259233 EF Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 ZINC000587259343 EF Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3ccc4c(c3[nH]2)CCCC4)c1 ZINC000587259580 EF Annotated Anodyne CSc1ccc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c2c1 ZINC000587259631 EF Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c12 ZINC000587259632 EF Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587259816 EF Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cc(Cl)cc(F)c3[nH]2)c1 ZINC000587259953 EF Annotated Anodyne COC(=O)CC[C@H](N)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587260052 EF Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587260167 EF Annotated Anodyne COC(=O)CC[C@H](N)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587260222 EF Annotated Bother NC(=O)c1cccc(C[C@H](N)c2nc3cc(Cl)c(F)cc3[nH]2)c1 ZINC000587260246 EF Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587260401 EF Annotated Anodyne COC(=O)CC[C@H](N)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587260530 EF Annotated Bother COc1cc(-c2nc3cnc(Cl)[nH]c-3n2)c(OC)c([N+](=O)[O-])c1 ZINC000587260718 EF Annotated Bother Cc1c(-c2nc3nc(Br)c[nH]c-3n2)cccc1[N+](=O)[O-] ZINC000587260770 EF Annotated Bother COc1cc(-c2nc3cc4c(cc3[nH]2)OCO4)c(OC)c([N+](=O)[O-])c1 ZINC000587260775 EF Annotated Bother COc1cc(-c2nc3ccc(CCO)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260797 EF Annotated Bother COc1cc(-c2nc3ccnc(OC)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260833 EF Annotated Bother COc1cc(-c2nc3c(Cl)ncnc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260845 EF Annotated Bother COc1cc(-c2nc3nc(Cl)c[nH]c-3n2)c(OC)c([N+](=O)[O-])c1 ZINC000587260888 EF Annotated Bother COc1cc(-c2nc3ccc(CO)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260986 EF Annotated Bother COc1cc(-c2nc3cncc(OC)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261104 EF Annotated Bother COc1cc(-c2nc3ccc(OC)nc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261111 EF Annotated Bother COc1cc(-c2nc3cc(C#N)c(C#N)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261112 EF Annotated Mild COc1cc(-c2nc3cc(OC)ncc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261121 EF Annotated Bother C=CCc1cccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c12 ZINC000587261318 EF Annotated Mild C=CCc1cccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c12 ZINC000587261319 EF Annotated Mild C=CCc1cccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c12 ZINC000587261320 EF Annotated Mild C=CCc1cccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c12 ZINC000587261321 EF Annotated Mild Cc1cc(C#Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261450 EF Annotated Mild Cc1cc(C#Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261482 EF Annotated Mild Cc1cc(C#Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261483 EF Annotated Mild C[C@@H]1CC(=O)[C@@H](Cc2nc3cnc4ccccc4c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261485 EF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cnc4ccccc4c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261489 EF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cnc4ccccc4c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261490 EF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cnc4ccccc4c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261492 EF Annotated Bother Cc1cc(C#Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261509 EF Annotated Mild COCCNc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1[N+](=O)[O-] ZINC000587261609 EF Annotated Bother O=CC(C=O)c1ccc(-c2nc3ccc(Cl)nc3[nH]2)cc1[N+](=O)[O-] ZINC000587261622 EF Annotated Mild COc1cc(OCc2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261736 EF Annotated Bother COCCNc1ccc(-c2nc3cnc(Cl)[nH]c-3n2)cc1[N+](=O)[O-] ZINC000587261746 EF Annotated Bother Cc1cc2[nH]c(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)nc2c(C)n1 ZINC000587261810 EF Annotated Mild Cc1cc(C#Cc2nc3cc(C#N)c(C#N)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261842 EF Annotated Mild Cc1cc(C#Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)ccc1[N+](=O)[O-] ZINC000587261854 EF Annotated Mild C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C#N)cc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261866 EF Annotated Mild C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C#N)cc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261867 EF Annotated Mild C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C#N)cc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261869 EF Annotated Mild C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C#N)cc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261870 EF Annotated Mild CSc1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587261943 EF Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(CO)cc3[nH]2)c1 ZINC000587261944 EF Annotated Bother CSc1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587261945 EF Annotated Bother CSc1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587261946 EF Annotated Bother CSc1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587261947 EF Annotated Bother COc1cncc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c12 ZINC000587262004 EF Annotated Bother Cc1cc(C#Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc1[N+](=O)[O-] ZINC000587262066 EF Annotated Mild COc1nccc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c12 ZINC000587262076 EF Annotated Bother Cc1cc(C#Cc2nc3c(S)nc(S)nc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262079 EF Annotated Mild O=CC(C=O)c1ccc(-c2nc3ccnc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262087 EF Annotated Mild COc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1C ZINC000587262210 EF Annotated Bother COc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1C ZINC000587262211 EF Annotated Bother COc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1C ZINC000587262212 EF Annotated Bother COc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1C ZINC000587262213 EF Annotated Bother COc1cc(OCc2nc3cccc([N+](=O)[O-])c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262325 EF Annotated Bother O=CC(C=O)c1ccc(-c2nc3ccc(F)c(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262353 EF Annotated Mild COCCNc1ccc(-c2nc3c(Cl)ncnc3[nH]2)cc1[N+](=O)[O-] ZINC000587262366 EF Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(CCO)cc3[nH]2)c1 ZINC000587262381 EF Annotated Bother O=CC(C=O)c1ccc(-c2nc3cc(F)cc(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262405 EF Annotated Mild COc1cccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c12 ZINC000587262407 EF Annotated Mild COC(=O)c1ccc2nc(C#Cc3ccc([N+](=O)[O-])c(C)c3)[nH]c2c1 ZINC000587262439 EF Annotated Mild COc1cc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2cn1 ZINC000587262449 EF Annotated Bother COc1cc(OCc2nc3cc(C#N)c(C#N)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262494 EF Annotated Mild O=CC(C=O)c1ccc(-c2nc3c(Cl)ccnc3[nH]2)cc1[N+](=O)[O-] ZINC000587262551 EF Annotated Mild O=CC(C=O)c1ccc(-c2nc3cccc(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262645 EF Annotated Mild COC(=O)c1cccc2nc(C#Cc3ccc([N+](=O)[O-])c(C)c3)[nH]c12 ZINC000587262658 EF Annotated Mild O=CC(C=O)c1ccc(-c2nc3cncc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262690 EF Annotated Mild Cc1cnc(Cl)c2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])nc12 ZINC000587262742 EF Annotated Bother Cc1cnc(Cl)c2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])nc12 ZINC000587262747 EF Annotated Bother Cc1cnc(Cl)c2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])nc12 ZINC000587262748 EF Annotated Bother Cc1cnc(Cl)c2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])nc12 ZINC000587262749 EF Annotated Bother Cc1cc(C#Cc2nc3cc4c(cc3[nH]2)OCCO4)ccc1[N+](=O)[O-] ZINC000587262817 EF Annotated Mild COc1cc(OCc2nc3c(Cl)ncnc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262890 EF Annotated Bother COc1cc(OCc2nc3ccc(CO)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262904 EF Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 ZINC000587263117 EF Annotated Bother COc1cc(OCc2nc3cccc(C(=O)O)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587263186 EF Annotated Bother COc1cc(OCc2nc3ccc(CCO)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263446 EF Annotated Bother COc1ccc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2n1 ZINC000587263463 EF Annotated Bother CCc1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587263513 EF Annotated Bother COc1cccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 ZINC000587263546 EF Annotated Bother O=C(O)c1cccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 ZINC000587263699 EF Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)c([N+](=O)[O-])c1 ZINC000587263740 EF Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cc4c(cc3[nH]2)OCO4)c([N+](=O)[O-])c1 ZINC000587263766 EF Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc3ncccc3c2[nH]1 ZINC000587263857 EF Annotated Bother COCCOc1ccc(-c2nc3ccnc(OC)c3[nH]2)cc1[N+](=O)[O-] ZINC000587264100 EF Annotated Bother COCCNc1ccc(-c2nc3ccc(OC)nc3[nH]2)cc1[N+](=O)[O-] ZINC000587264106 EF Annotated Bother COc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1F ZINC000587264109 EF Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587264112 EF Annotated Bother COCCNc1ccc(-c2nc3c(C)ccnc3[nH]2)cc1[N+](=O)[O-] ZINC000587264176 EF Annotated Bother COCCNc1ccc(-c2nc3cncc(OC)c3[nH]2)cc1[N+](=O)[O-] ZINC000587264247 EF Annotated Bother Cc1cnc(Cl)c2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc12 ZINC000587264271 EF Annotated Bother Cc1cc2[nH]c(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c(C)n1 ZINC000587264359 EF Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cnc3ccccc3c2[nH]1 ZINC000587264367 EF Annotated Bother O=C(O)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000587264391 EF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc4ncccc4c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264438 EF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc4ncccc4c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264439 EF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc4ncccc4c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264440 EF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc4ncccc4c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264441 EF Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(O)c2[nH]1 ZINC000587264490 EF Annotated Bother Cc1cc(F)c2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc2c1 ZINC000587264625 EF Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3ccc(CCO)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587264653 EF Annotated Bother COCCOc1ccc(-c2nc3cccc(O)c3[nH]2)cc1[N+](=O)[O-] ZINC000587264726 EF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(F)c(F)c(F)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264796 EF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(F)c(F)c(F)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264798 EF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(F)c(F)c(F)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264799 EF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(F)c(F)c(F)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264800 EF Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cc4cn[nH]c4cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587264976 EF Annotated Bother COc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1C ZINC000587265081 EF Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnccc2[nH]1 ZINC000587265129 EF Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccnc2[nH]1 ZINC000587265141 EF Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(F)c(F)cc2[nH]1 ZINC000587265182 EF Annotated Bother COCCNc1ccc(-c2nc3ccnc(OC)c3[nH]2)cc1[N+](=O)[O-] ZINC000587265220 EF Annotated Bother COCCOc1ccc(-c2nc3cncc(OC)c3[nH]2)cc1[N+](=O)[O-] ZINC000587265224 EF Annotated Bother COCCNc1ccc(-c2nc3ccc(C)nc3[nH]2)cc1[N+](=O)[O-] ZINC000587265273 EF Annotated Bother N#Cc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1C#N ZINC000587265428 EF Annotated Mild CC(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587265631 EF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(C)(C)C)nc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265664 EF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(C)(C)C)nc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265668 EF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(C)(C)C)nc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265671 EF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(C)(C)C)nc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265674 EF Annotated Bother COCCNc1ccc(-c2nc3c(C)nccc3[nH]2)cc1[N+](=O)[O-] ZINC000587265741 EF Annotated Bother COCCOc1ccc(-c2nc3cncc(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000587265910 EF Annotated Bother Cc1c(F)ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12 ZINC000587265923 EF Annotated Bother COCCNc1ccc(-c2nc3cccc(O)c3[nH]2)cc1[N+](=O)[O-] ZINC000587266002 EF Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587266066 EF Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(O)nc(O)nc3[nH]2)o1 ZINC000587266216 EF Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(N)ccnc2[nH]1 ZINC000587266345 EF Annotated Bother Cc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1F ZINC000587266395 EF Annotated Bother COCCNc1ccc(-c2nc3cncc(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000587266478 EF Annotated Bother COCCOc1ccc(-c2nc3c(C)ccnc3[nH]2)cc1[N+](=O)[O-] ZINC000587266486 EF Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cncnc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587266877 EF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587266957 EF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587266959 EF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587267058 EF Annotated Mild Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587267061 EF Annotated Mild Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587267182 EF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587267184 EF Annotated Bother Cc1cc2[nH]c([C@@H](C)n3ncc([N+](=O)[O-])c3C)nc2cc1[N+](=O)[O-] ZINC000587267225 EF Annotated Bother Cc1cc2[nH]c([C@H](C)n3ncc([N+](=O)[O-])c3C)nc2cc1[N+](=O)[O-] ZINC000587267226 EF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587267478 EF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587267479 EF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587267484 EF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587267485 EF Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ncc[nH]c-3n2)c(C)c1[N+](=O)[O-] ZINC000587267494 EF Annotated Bother COc1cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1OC ZINC000587267564 EF Annotated Bother COc1cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1OC ZINC000587267565 EF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587267584 EF Annotated Bother Nc1ncc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587267586 EF Annotated Bother COC(=O)c1cccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c12 ZINC000587267590 EF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587267593 EF Annotated Bother Nc1ncc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000587267689 EF Annotated Bother Cc1nc2[nH]c(-c3cnc(N)c([N+](=O)[O-])c3)nc2cc1Br ZINC000587267737 EF Annotated Bother Nc1ncc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1[N+](=O)[O-] ZINC000587267839 EF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587267922 EF Annotated Bother COc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1F ZINC000587267935 EF Annotated Bother Nc1ncc(-c2nc3ccc(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587267954 EF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587267966 EF Annotated Bother CCOC(=O)c1ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587267998 EF Annotated Bother CCOC(=O)c1ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587267999 EF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587268054 EF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587268086 EF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc(C(=O)O)c2[nH]1 ZINC000587268138 EF Annotated Bother Nc1ncc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000587268177 EF Annotated Bother COc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1OC ZINC000587268186 EF Annotated Bother Nc1ncc(-c2nc3cccc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587268198 EF Annotated Bother COc1cc(OC)c2[nH]c([C@@H](C)n3ncc([N+](=O)[O-])c3C)nc2c1 ZINC000587268249 EF Annotated Bother COc1cc(OC)c2[nH]c([C@H](C)n3ncc([N+](=O)[O-])c3C)nc2c1 ZINC000587268250 EF Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cnncc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587268280 EF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587268313 EF Annotated Mild COC(=O)c1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c1 ZINC000587268324 EF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc3c(cc2[nH]1)OCO3 ZINC000587268328 EF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587268330 EF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587268331 EF Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(-c3cnc(N)c([N+](=O)[O-])c3)nc2c1 ZINC000587268348 EF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587268368 EF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587268394 EF Annotated Mild Nc1ncc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1[N+](=O)[O-] ZINC000587268405 EF Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2c(Br)ccnc2[nH]1 ZINC000587268408 EF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587268429 EF Annotated Bother COc1cc(OC)c2[nH]c(Cc3c([N+](=O)[O-])cnn3C(C)C)nc2c1 ZINC000587268459 EF Annotated Bother Nc1ncc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000587268473 EF Annotated Bother Cc1cc2[nH]c(CNc3ncccc3[N+](=O)[O-])nc2cc1[N+](=O)[O-] ZINC000587268613 EF Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2ccc(Br)nc2[nH]1 ZINC000587268619 EF Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Cl)cnc4[nH]3)nn2)c1 ZINC000587268804 EF Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cncc(Cl)c4[nH]3)nn2)c1 ZINC000587268809 EF Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(O)ncnc4[nH]3)c2)c1 ZINC000587268813 EF Annotated Bother Cc1cc2[nH]c(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc2c(C)n1 ZINC000587268819 EF Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587268837 EF Annotated Bother COC(=O)c1ccc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2c1OC ZINC000587268839 EF Annotated Bother N#Cc1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 ZINC000587268850 EF Annotated Mild O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccnc(Cl)c4[nH]3)nn2)c1 ZINC000587268955 EF Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccnc(O)c3[nH]2)c1 ZINC000587269029 EF Annotated Bother COc1cccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c12 ZINC000587269081 EF Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2cncc(Br)c2[nH]1 ZINC000587269088 EF Annotated Bother COc1cccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 ZINC000587269101 EF Annotated Bother COC(=O)c1cc2nc(-c3cc([N+](=O)[O-])c(C)o3)[nH]c2cc1OC ZINC000587269169 EF Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587269177 EF Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587269244 EF Annotated Bother COc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1F ZINC000587269433 EF Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Cl)ncc2[nH]1 ZINC000587269454 EF Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587269470 EF Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587269479 EF Annotated Bother Cc1cc2[nH]c([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)nc2cc1[N+](=O)[O-] ZINC000587269533 EF Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587269543 EF Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587269584 EF Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2ccnc(Br)c2[nH]1 ZINC000587269627 EF Annotated Bother O=[N+]([O-])c1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1F ZINC000587269632 EF Annotated Bother Cc1oc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1[N+](=O)[O-] ZINC000587269637 EF Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2cc(Br)ncc2[nH]1 ZINC000587269661 EF Annotated Bother CCOC(=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 ZINC000587269698 EF Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Cl)ncc4[nH]3)nn2)c1 ZINC000587269701 EF Annotated Bother N#Cc1cccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 ZINC000587269724 EF Annotated Mild O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587269785 EF Annotated Bother N#Cc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1C#N ZINC000587269934 EF Annotated Mild COc1cc(OC)c2[nH]c([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000587269955 EF Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000587269972 EF Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587269981 EF Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4c(Cl)ccnc4[nH]3)nn2)c1 ZINC000587270180 EF Annotated Bother Nc1ncnc2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc12 ZINC000587270225 EF Annotated Bother COc1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 ZINC000587270226 EF Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1 ZINC000587270312 EF Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2c(Cl)ccnc2[nH]1 ZINC000587270331 EF Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cccc(C(=O)O)c2[nH]1 ZINC000587270346 EF Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cnnc(O)c4[nH]3)c2)c1 ZINC000587270387 EF Annotated Bother N[C@@H](N=O)c1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000587270412 EF Annotated Bother N[C@H](N=O)c1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000587270413 EF Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccnc(Cl)c2[nH]1 ZINC000587270421 EF Annotated Bother Nc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1N ZINC000587270425 EF Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Cl)cnc2[nH]1 ZINC000587270431 EF Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cncc(Cl)c2[nH]1 ZINC000587270455 EF Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587270523 EF Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587270526 EF Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(F)cc(F)c4[nH]3)nn2)c1 ZINC000587270565 EF Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(Cl)nc4[nH]3)nn2)c1 ZINC000587270608 EF Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587270656 EF Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(F)c(F)cc4[nH]3)nn2)c1 ZINC000587270696 EF Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(F)c(F)c4[nH]3)nn2)c1 ZINC000587270699 EF Annotated Bother CC(=O)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 ZINC000587270724 EF Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc5cn[nH]c5cc4[nH]3)nn2)c1 ZINC000587270744 EF Annotated Bother COc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1OC ZINC000587270793 EF Annotated Bother N#Cc1nc(Cl)cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587270807 EF Annotated Mild N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587270824 EF Annotated Bother O=C1COc2cc3[nH]c(CCc4cccc([N+](=O)[O-])c4)nc3cc2N1 ZINC000587270968 EF Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587271011 EF Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587271046 EF Annotated Bother Cc1cc2[nH]c([C@H](C)Cn3cc([N+](=O)[O-])cn3)nc2cc1[N+](=O)[O-] ZINC000587272831 EF Annotated Bother Cc1cc2[nH]c([C@@H](C)Cn3cc([N+](=O)[O-])cn3)nc2cc1[N+](=O)[O-] ZINC000587272833 EF Annotated Bother CC(C)(C)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2n1 ZINC000587272879 EF Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3cc(F)c(F)c(F)c3[nH]2)n1 ZINC000587272934 EF Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587272935 EF Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cccc(Br)c2[nH]1 ZINC000587273016 EF Annotated Bother O=C(C[C@H]1CCCO1)c1c(CO)oc2cc(Br)cnc12 ZINC000587273155 EF Annotated Anodyne Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587273158 EF Annotated Bother O=C(C[C@@H]1CCCO1)c1c(CO)oc2cc(Br)cnc12 ZINC000587273160 EF Annotated Anodyne COC1(C(=O)c2c(CO)oc3cc(Br)cnc23)CCC1 ZINC000587273185 EF Annotated Anodyne C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587273241 EF Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587273244 EF Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587273247 EF Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587273249 EF Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587273388 EF Annotated Bother Cc1cc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2cc1Br ZINC000587273481 EF Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587273492 EF Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587273567 EF Annotated Bother O=C(Cl)/C=C/C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273587 EF Annotated Reactive O=C(Cl)/C=C\C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273589 EF Annotated Reactive Cc1cc(Br)c2[nH]c(-c3cc([N+](=O)[O-])nn3C)nc2c1 ZINC000587273616 EF Annotated Bother CCOC(=O)c1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000587273661 EF Annotated Bother CCOC(=O)c1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000587273665 EF Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587273691 EF Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587273719 EF Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587273720 EF Annotated Bother Cc1cc(Br)cc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c12 ZINC000587274337 EF Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)n1 ZINC000587274391 EF Annotated Bother N#Cc1cc(Cl)c2[nH]c(CCCn3ccc([N+](=O)[O-])n3)nc2c1 ZINC000587274427 EF Annotated Mild Cc1cc2[nH]c(CCCn3ccc([N+](=O)[O-])n3)nc2cc1[N+](=O)[O-] ZINC000587274454 EF Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3cc(C(F)(F)F)cnc3[nH]2)n1 ZINC000587274509 EF Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587274565 EF Annotated Bother O=C(CBr)c1c(CO)oc2cc(Br)cnc12 ZINC000587274634 EF Annotated Reactive O=[N+]([O-])c1ccn(CCCc2nc3cc(C(F)(F)F)ncc3[nH]2)n1 ZINC000587274635 EF Annotated Bother O=C(Cl)CCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587274637 EF Annotated Reactive Cc1ncc([N+](=O)[O-])n1Cc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587274677 EF Annotated Bother COc1cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2cc1Cl ZINC000587274708 EF Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587274732 EF Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587274759 EF Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587274761 EF Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587274778 EF Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587274802 EF Annotated Bother Cc1c(Br)ccc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c12 ZINC000587274832 EF Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587274882 EF Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587274884 EF Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587274897 EF Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587274914 EF Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587275005 EF Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587275006 EF Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587275045 EF Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587275076 EF Annotated Mild Cn1nc([N+](=O)[O-])cc1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587275138 EF Annotated Mild Cn1nc([N+](=O)[O-])cc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587275152 EF Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587275202 EF Annotated Bother C[C@@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587275245 EF Annotated Bother C[C@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587275246 EF Annotated Bother Cc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)on1 ZINC000587275429 EF Annotated Anodyne Cc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)no1 ZINC000587275532 EF Annotated Anodyne Cc1oncc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587275601 EF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)n3cc([N+](=O)[O-])cn3)nc2c1 ZINC000587275632 EF Annotated Bother COC(=O)c1cc(Cl)c2[nH]c([C@H](C)n3cc([N+](=O)[O-])cn3)nc2c1 ZINC000587275634 EF Annotated Bother O=C(c1cscn1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275906 EF Annotated Anodyne O=C(c1c(CO)oc2cc(Br)cnc12)C1CCOCC1 ZINC000587275923 EF Annotated Anodyne C[C@H](c1nc2c(Cl)cnc(Cl)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276019 EF Annotated Bother C[C@@H](c1nc2c(Cl)cnc(Cl)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276020 EF Annotated Bother C[C@@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)n1cc([N+](=O)[O-])cn1 ZINC000587276507 EF Annotated Bother C[C@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)n1cc([N+](=O)[O-])cn1 ZINC000587276508 EF Annotated Bother O=C(c1ccncc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276645 EF Annotated Anodyne O=C(c1nccs1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276759 EF Annotated Anodyne C[C@@H](c1nc2cc(C(F)(F)F)cnc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276853 EF Annotated Bother C[C@H](c1nc2cc(C(F)(F)F)cnc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276854 EF Annotated Bother O=C(c1cccnc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587277069 EF Annotated Anodyne C[C@H](c1nc2cc(Cl)c(Cl)nc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277204 EF Annotated Bother C[C@@H](c1nc2cc(Cl)c(Cl)nc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277205 EF Annotated Bother C[C@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277258 EF Annotated Bother C[C@@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277259 EF Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587277280 EF Annotated Mild C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587277281 EF Annotated Mild C[C@@H](c1nc2c(F)c(F)c(F)c(F)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277310 EF Annotated Bother C[C@H](c1nc2c(F)c(F)c(F)c(F)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277311 EF Annotated Bother C[C@H](c1nc2cc(Cl)nc(Cl)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277332 EF Annotated Bother C[C@@H](c1nc2cc(Cl)nc(Cl)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277333 EF Annotated Bother C[C@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277386 EF Annotated Bother C[C@@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277387 EF Annotated Bother C[C@@H](c1nc2cc(C(F)(F)F)ncc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277542 EF Annotated Bother C[C@H](c1nc2cc(C(F)(F)F)ncc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277543 EF Annotated Bother CS(=O)(=O)c1cccc(C(=O)c2coc3cc(C#N)ccc23)c1 ZINC000587277614 EF Annotated Mild N#Cc1ccc2c(C(=O)c3ccc(N4CCOCC4)nc3)coc2c1 ZINC000587277678 EF Annotated Mild N#Cc1ccc2c(C(=O)CN3C(=O)c4ccccc4C3=O)coc2c1 ZINC000587278108 EF Annotated Mild N#Cc1ccc2c(C(=O)c3cccc(N4C(=O)C=CC4=O)c3)coc2c1 ZINC000587278465 EF Annotated Mild CS(=O)(=O)N1CCC(C(=O)c2coc3ccc(Cl)cc23)CC1 ZINC000587279411 EF Annotated Anodyne N#Cc1ccc2c(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)coc2c1 ZINC000587279498 EF Annotated Mild Cn1cc(C(=O)Cl)c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)n1 ZINC000587279820 EF Annotated Reactive Cc1cc([N+](=O)[O-])nn1CC(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279941 EF Annotated Bother O=C1OC(=O)c2cc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)ccc21 ZINC000587280019 EF Annotated Reactive CC(C)(C(=O)c1coc2cc([N+](=O)[O-])ccc12)S(=O)(=O)Cl ZINC000587280225 EF Annotated Unstable CCn1cc([N+](=O)[O-])c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)n1 ZINC000587280280 EF Annotated Bother CCn1ncc([N+](=O)[O-])c1C(=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280409 EF Annotated Bother CS(=O)(=O)c1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 ZINC000587280463 EF Annotated Bother Cn1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c(C(=O)Cl)n1 ZINC000587280533 EF Annotated Reactive CN(C)S(=O)(=O)c1ccc(C(=O)c2coc3ccccc23)cc1 ZINC000587280899 EF Annotated Anodyne C=C1C=C(C(F)F)N2N=C(C(=O)c3coc4ccccc34)NC2=N1 ZINC000587280903 EF Annotated Anodyne CN(C)S(=O)(=O)c1cccc(C(=O)c2coc3ccccc23)c1 ZINC000587280927 EF Annotated Anodyne CC(=O)NC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331036 EF Annotated Anodyne CC(=O)NC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331038 EF Annotated Anodyne CC(=O)NC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331040 EF Annotated Anodyne CC(=O)NC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331041 EF Annotated Anodyne CNC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331098 EF Annotated Anodyne CNC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331099 EF Annotated Anodyne CNC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331101 EF Annotated Anodyne CNC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331103 EF Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCNC[C@H]2F)[C@H]1c1ccc(F)cc1 ZINC000587333726 EF Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCNC[C@H]2F)[C@@H]1c1ccc(F)cc1 ZINC000587333738 EF Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCNC[C@@H]2F)[C@H]1c1ccc(F)cc1 ZINC000587334097 EF Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCNC[C@@H]2F)[C@@H]1c1ccc(F)cc1 ZINC000587334098 EF Annotated Anodyne C[C@@]1(CC(N)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335649 EF Annotated Anodyne C[C@]1(CC(N)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335657 EF Annotated Anodyne C[C@]1(CC(N)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335667 EF Annotated Anodyne C[C@@]1(CC(N)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335670 EF Annotated Anodyne CN1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338016 EF Annotated Anodyne CN1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338018 EF Annotated Anodyne CN1CC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338022 EF Annotated Anodyne CN1CC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338024 EF Annotated Anodyne N#C[C@@H]1COC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587339469 EF Annotated Mild N#C[C@@H]1COC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587339479 EF Annotated Mild N#C[C@@H]1COC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587339483 EF Annotated Mild N#C[C@@H]1COC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587339485 EF Annotated Mild CN(C)C(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341482 EF Annotated Anodyne CN(C)C(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341487 EF Annotated Anodyne CN(C)C(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341490 EF Annotated Anodyne CN(C)C(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341493 EF Annotated Anodyne CC[C@@]1(C(N)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341607 EF Annotated Anodyne CC[C@@]1(C(N)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341609 EF Annotated Anodyne CC[C@]1(C(N)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341611 EF Annotated Anodyne CC[C@]1(C(N)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341612 EF Annotated Anodyne COC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346288 EF Annotated Anodyne COC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346290 EF Annotated Anodyne COC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346292 EF Annotated Anodyne COC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346294 EF Annotated Anodyne C[C@@]1(c2nc[nH]n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347740 EF Annotated Anodyne C[C@@]1(c2nc[nH]n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347752 EF Annotated Anodyne C[C@]1(c2nc[nH]n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347755 EF Annotated Anodyne C[C@]1(c2nc[nH]n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347758 EF Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CN3CC[C@H]2C3)[C@@H]1c1ccc(F)cc1 ZINC000587349978 EF Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CN3CC[C@H]2C3)[C@H]1c1ccc(F)cc1 ZINC000587349981 EF Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CN3CC[C@H]2C3)[C@@H]1c1ccc(F)cc1 ZINC000587349988 EF Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CN3CC[C@H]2C3)[C@H]1c1ccc(F)cc1 ZINC000587349992 EF Annotated Anodyne O=C1C[C@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350184 EF Annotated Anodyne O=C1C[C@@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350198 EF Annotated Anodyne O=C1C[C@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350203 EF Annotated Anodyne O=C1C[C@@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350208 EF Annotated Anodyne COCC1(COC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352788 EF Annotated Anodyne COCC1(COC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352789 EF Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=COCC2=O)[C@H]1c1ccc(F)cc1 ZINC000587355611 EF Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=COCC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587355616 EF Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=COCC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587355619 EF Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=COCC2=O)[C@H]1c1ccc(F)cc1 ZINC000587355621 EF Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(COC=CC2=O)[C@H]1c1ccc(F)cc1 ZINC000587355872 EF Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(COC=CC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587355873 EF Annotated Mild O=C1c2ccc(O)cc2O[C@]2(COC=CC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587355875 EF Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(COC=CC2=O)[C@H]1c1ccc(F)cc1 ZINC000587355876 EF Annotated Mild C[C@@H]1COC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587360417 EF Annotated Anodyne C[C@@H]1COC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587360419 EF Annotated Anodyne C[C@@H]1COC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587360421 EF Annotated Anodyne C[C@@H]1COC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587360423 EF Annotated Anodyne Cc1[nH]c(C(=O)[C@@H](C)Cl)c(C)c1-c1ccc2c(O)nc(O)nc2n1 ZINC000587365047 EF Annotated Reactive Cc1[nH]c(C(=O)[C@H](C)Cl)c(C)c1-c1ccc2c(O)nc(O)nc2n1 ZINC000587365048 EF Annotated Reactive Oc1nc(O)c2ccc(-c3cccc(Br)c3O)nc2n1 ZINC000587365074 EF Annotated Anodyne Oc1nc(O)c2ccc([C@H](Br)c3ccccc3)nc2n1 ZINC000587365088 EF Annotated Reactive Oc1nc(O)c2ccc([C@@H](Br)c3ccccc3)nc2n1 ZINC000587365089 EF Annotated Reactive Cc1cc(Br)cnc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587365271 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1c(Br)cccc1C3 ZINC000587365297 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1ccc(Br)cc1CC3 ZINC000587365321 EF Annotated Anodyne Oc1nc(O)c2ccc(Cc3ccc(Br)cc3)nc2n1 ZINC000587365373 EF Annotated Anodyne Oc1nc(O)c2ccc(Cc3ccccc3Br)nc2n1 ZINC000587365702 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1cc(Br)ccc1C3 ZINC000587365746 EF Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Br)cc1O ZINC000587365829 EF Annotated Anodyne Oc1nc(O)c2ccc(-c3c(O)cccc3Br)nc2n1 ZINC000587365910 EF Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(Br)ccc3O)nc2n1 ZINC000587365920 EF Annotated Anodyne COc1cc(Br)ccc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587366172 EF Annotated Anodyne COc1cccc(Br)c1-c1ccc2c(O)nc(O)nc2n1 ZINC000587366209 EF Annotated Anodyne CCc1c(C(=O)CCl)[nH]c(C)c1-c1ccc2c(O)nc(O)nc2n1 ZINC000587366229 EF Annotated Reactive Oc1nc(O)c2cc(Cc3ccc(Br)cc3)cnc2n1 ZINC000587366282 EF Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(CBr)cc3)nc2n1 ZINC000587366312 EF Annotated Reactive COc1ccc(-c2ccc3c(O)nc(O)nc3n2)c(Br)c1 ZINC000587366391 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1ccc(Br)cc1C3 ZINC000587366430 EF Annotated Anodyne COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1Br ZINC000587366473 EF Annotated Anodyne Cc1cc(O)c(-c2ccc3c(O)nc(O)nc3n2)cc1Br ZINC000587366648 EF Annotated Anodyne COc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1Br ZINC000587366651 EF Annotated Anodyne COc1ccc(Br)c(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587366654 EF Annotated Anodyne COc1ccc(Br)cc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587366681 EF Annotated Anodyne Oc1nc(O)c2ccc(CCc3ccc(Br)cc3)nc2n1 ZINC000587366690 EF Annotated Anodyne Oc1nc(O)c2cc(Cc3ccccc3)c(CBr)nc2n1 ZINC000587366702 EF Annotated Reactive Cc1cc(-c2ccc3c(O)nc(O)nc3n2)ncc1Br ZINC000587366872 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1cccc(Br)c1CC3 ZINC000587367098 EF Annotated Anodyne C[C@@H](Cl)C(=O)Nc1ccccc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587367103 EF Annotated Reactive C[C@H](Cl)C(=O)Nc1ccccc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587367104 EF Annotated Reactive Oc1nc(O)c2ccc(Cc3cccc(Br)c3)nc2n1 ZINC000587367152 EF Annotated Anodyne Cc1cc(Br)cc(-c2ccc3c(O)nc(O)nc3n2)c1O ZINC000587367159 EF Annotated Anodyne Oc1ccc(-c2ccc3c(O)nc(O)nc3n2)c(Br)c1 ZINC000587367160 EF Annotated Anodyne C[C@@H](Cl)C(=O)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587367161 EF Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587367163 EF Annotated Reactive Oc1nc(O)c2cc3c(nc2n1)Cc1ccc(Br)cc1C3 ZINC000587367223 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)C[C@@H]3c1cccc(Br)c1 ZINC000587367309 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)C[C@H]3c1cccc(Br)c1 ZINC000587367312 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1c(Br)cccc1CC3 ZINC000587367485 EF Annotated Anodyne COc1c(Br)cccc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587367522 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1cccc(Br)c1C3 ZINC000587367523 EF Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(Br)cc3O)nc2n1 ZINC000587367525 EF Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1-c1cc(Br)ccc1O ZINC000587367528 EF Annotated Anodyne C[C@@H](Cl)C(=O)Nc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587367554 EF Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587367555 EF Annotated Reactive Oc1nc(O)c2cc3c(nc2n1)C[C@@H]3c1ccc(Br)cc1 ZINC000587367565 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)C[C@H]3c1ccc(Br)cc1 ZINC000587367566 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1cc(Br)ccc1CC3 ZINC000587367572 EF Annotated Anodyne Cn1nc(C(F)(F)F)c(-c2ccc3c(O)nc(O)nc3n2)c1Cl ZINC000587367944 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1cc(OC(F)(F)F)ccc1C3 ZINC000587367949 EF Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(F)cc3N3CCCC3)nc2n1 ZINC000587368009 EF Annotated Anodyne O=C(c1ccc(C(F)(F)F)cc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587368032 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)[C@H](F)C[C@@H](OCc1ccccc1)C3 ZINC000587368043 EF Annotated Anodyne COC(=O)c1cc(Cl)ccc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587368044 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)[C@@H](F)C[C@@H](OCc1ccccc1)C3 ZINC000587368045 EF Annotated Anodyne O=C(CCCl)Nc1ccccc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587368051 EF Annotated Reactive Cc1c(Cl)cc(-c2ccc3c(O)nc(O)nc3n2)c(O)c1[N+](=O)[O-] ZINC000587368072 EF Annotated Bother Oc1nc(O)c2ccc(-c3cnn(-c4ccccc4Cl)c3)nc2n1 ZINC000587368077 EF Annotated Anodyne COc1cc(OC)c(-c2ccc3c(O)nc(O)nc3n2)cc1Cl ZINC000587368101 EF Annotated Anodyne Oc1nc(O)c2ccc(-c3c(F)c(F)c(F)c(F)c3F)nc2n1 ZINC000587368126 EF Annotated Anodyne Cc1c(Cl)cccc1NC(=O)Cc1ccc2c(O)nc(O)nc2n1 ZINC000587368147 EF Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(OC(F)(F)F)ccc3O)nc2n1 ZINC000587368150 EF Annotated Anodyne Cc1cc(Cl)c2c(c1)-c1nc3nc(O)nc(O)c3cc1CCO2 ZINC000587368160 EF Annotated Anodyne O=C(Cc1ccc2c(O)nc(O)nc2n1)c1ccc(C(F)(F)F)cc1 ZINC000587368216 EF Annotated Anodyne O=C(c1cccc(C(F)(F)F)c1)c1ccc2c(O)nc(O)nc2n1 ZINC000587368234 EF Annotated Anodyne Oc1nc(O)c2cc(Cc3ccc(OC(F)(F)F)cc3)cnc2n1 ZINC000587368248 EF Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(N4CCCC4)c(F)c3)nc2n1 ZINC000587368274 EF Annotated Anodyne O=C(O)CCCc1cc2c(O)nc(O)nc2nc1-c1ccc(F)cc1 ZINC000587368287 EF Annotated Anodyne COc1ccc(-c2nc3nc(O)nc(O)c3cc2CCCl)cc1 ZINC000587368295 EF Annotated Reactive Cc1nc2nc(O)nc(O)c2cc1Cc1ccc(OC(F)F)cc1 ZINC000587368317 EF Annotated Anodyne Oc1nc(O)c2cc(Cc3ccc(F)c(OC(F)F)c3)cnc2n1 ZINC000587368321 EF Annotated Anodyne Oc1nc(O)c2ccc(-c3cccc4nc(CCl)oc34)nc2n1 ZINC000587368325 EF Annotated Reactive Oc1nc(O)c2ccc(Cc3ccc(OC(F)(F)F)cc3)nc2n1 ZINC000587368339 EF Annotated Anodyne Oc1nc(O)c2ccc(-c3cnn(-c4ccc(Cl)cc4)c3)nc2n1 ZINC000587368354 EF Annotated Anodyne COc1cc(Cl)cc(-c2ccc3c(O)nc(O)nc3n2)c1OC ZINC000587368358 EF Annotated Anodyne Oc1nc(O)c2cc(CCCl)c(-c3cc(F)ccc3O)nc2n1 ZINC000587368366 EF Annotated Reactive O=[N+]([O-])c1cc(Cl)ccc1Cc1ccc2c(O)nc(O)nc2n1 ZINC000587368369 EF Annotated Bother Cc1cccc(Cl)c1NC(=O)Cc1ccc2c(O)nc(O)nc2n1 ZINC000587368386 EF Annotated Anodyne COc1c(-c2ccc3c(O)nc(O)nc3n2)cc(Cl)cc1[N+](=O)[O-] ZINC000587368400 EF Annotated Bother Oc1nc(O)c2ccc(C(F)(F)C(F)(F)C(F)(F)F)nc2n1 ZINC000587368463 EF Annotated Mild Oc1nc(O)c2ccc(CCc3ccc(OC(F)F)cc3)nc2n1 ZINC000587368542 EF Annotated Anodyne Cc1cc(Cl)cc2c1OCCc1cc3c(O)nc(O)nc3nc1-2 ZINC000587368550 EF Annotated Anodyne O=C1Cc2nc3nc(O)nc(O)c3cc2[C@H](c2ccccc2Cl)C1 ZINC000587368564 EF Annotated Anodyne O=C1Cc2nc3nc(O)nc(O)c3cc2[C@@H](c2ccccc2Cl)C1 ZINC000587368565 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1c(Cl)cc(Cl)nc1CC3 ZINC000587368567 EF Annotated Anodyne Cn1c(-c2ccc3c(O)nc(O)nc3n2)nc2ccc(Cl)cc21 ZINC000587368587 EF Annotated Anodyne O=C1Cc2nc3nc(O)nc(O)c3cc2[C@@H](c2cccc(Cl)c2)C1 ZINC000587368600 EF Annotated Anodyne O=C1Cc2nc3nc(O)nc(O)c3cc2[C@H](c2cccc(Cl)c2)C1 ZINC000587368601 EF Annotated Anodyne Oc1nc(O)c2cc(Cc3ccc(OC(F)F)c(F)c3)cnc2n1 ZINC000587368669 EF Annotated Anodyne Oc1nc(O)c2ccc(-c3nc4ccccc4n3C(F)F)nc2n1 ZINC000587368701 EF Annotated Anodyne COc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1OCC(F)F ZINC000587368714 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1cc(C(F)(F)F)cnc1CC3 ZINC000587368761 EF Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(OCCCCl)cc3O)nc2n1 ZINC000587368871 EF Annotated Reactive Cc1c(-c2ccc3c(O)nc(O)nc3n2)cnn1-c1ccc(F)cc1 ZINC000587368906 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1c(Br)cc(F)cc1C3 ZINC000587368944 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1c(Br)ccc(F)c1C3 ZINC000587368990 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1cc(Br)c(F)cc1C3 ZINC000587369008 EF Annotated Anodyne Oc1nc(O)c2ccc(C=C(C(F)(F)F)C(F)(F)F)nc2n1 ZINC000587369051 EF Annotated Anodyne Cn1c(-c2ccc3c(O)nc(O)nc3n2)nc2cc(Cl)ccc21 ZINC000587369060 EF Annotated Anodyne C[C@@H](C(=O)O)c1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)cc1 ZINC000587369068 EF Annotated Anodyne C[C@H](C(=O)O)c1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)cc1 ZINC000587369069 EF Annotated Anodyne Cc1ccc(NC(=O)Cc2ccc3c(O)nc(O)nc3n2)cc1Cl ZINC000587369077 EF Annotated Anodyne O=C(CCCl)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587369098 EF Annotated Reactive O=C(c1cc(Cl)cc(Cl)c1)c1ccc2c(O)nc(O)nc2n1 ZINC000587369107 EF Annotated Anodyne COc1cc(OC)c(-c2ccc3c(O)nc(O)nc3n2)cc1CCl ZINC000587369116 EF Annotated Reactive Cc1ccc(NC(=O)Cc2ccc3c(O)nc(O)nc3n2)c(Cl)c1 ZINC000587369252 EF Annotated Anodyne O=C1Cc2nc3nc(O)nc(O)c3cc2[C@@H](c2ccc(Cl)cc2)C1 ZINC000587369292 EF Annotated Anodyne O=C1Cc2nc3nc(O)nc(O)c3cc2[C@H](c2ccc(Cl)cc2)C1 ZINC000587369293 EF Annotated Anodyne Cc1cc(Cl)ccc1NC(=O)Cc1ccc2c(O)nc(O)nc2n1 ZINC000587369295 EF Annotated Anodyne CC(C)NC(=O)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587369405 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1cc(F)cc(Br)c1C3 ZINC000587369543 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1cc(Br)cc(F)c1C3 ZINC000587369897 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1c(F)cc(Br)cc1C3 ZINC000587369929 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1cnn(-c2ccc(F)cc2)c1CC3 ZINC000587370047 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cncnc1)O2 ZINC000587370332 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cncnc1)O2 ZINC000587370334 EF Annotated Reactive Oc1nc(O)c2cc3c(nc2n1)-c1c(F)ccc(Br)c1C3 ZINC000587370370 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(Br)n1C)O2 ZINC000587370601 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(Br)n1C)O2 ZINC000587370604 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C(=O)O)co1)O2 ZINC000587370762 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C(=O)O)co1)O2 ZINC000587370765 EF Annotated Reactive CCOC(=O)CC[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587370770 EF Annotated Reactive CCOC(=O)CC[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587370775 EF Annotated Reactive C[C@]1(C(N)=S)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371187 EF Annotated Anodyne C[C@@]1(C(N)=S)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371192 EF Annotated Anodyne C[C@@]1(C(N)=S)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371194 EF Annotated Anodyne C[C@]1(C(N)=S)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371196 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc([N+](=O)[O-])c[nH]1)O2 ZINC000587371210 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc([N+](=O)[O-])c[nH]1)O2 ZINC000587371213 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)nn1C)O2 ZINC000587371466 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)nn1C)O2 ZINC000587371467 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](NC(=O)CCl)C(C)C)O2 ZINC000587371506 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](NC(=O)CCl)C(C)C)O2 ZINC000587371507 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](NC(=O)CCl)C(C)C)O2 ZINC000587371509 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](NC(=O)CCl)C(C)C)O2 ZINC000587371512 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nn(C)cc1Br)O2 ZINC000587371564 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nn(C)cc1Br)O2 ZINC000587371567 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)ncn1C)O2 ZINC000587371931 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)ncn1C)O2 ZINC000587371932 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)CCC[C@H]1Br ZINC000587371947 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)CCC[C@H]1Br ZINC000587371948 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)CCC[C@@H]1Br ZINC000587371949 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)CCC[C@@H]1Br ZINC000587371950 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncc(Br)cn1)O2 ZINC000587372334 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncc(Br)cn1)O2 ZINC000587372336 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cnccn1)O2 ZINC000587372440 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cnccn1)O2 ZINC000587372442 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(Br)nc1)O2 ZINC000587372447 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(Br)nc1)O2 ZINC000587372448 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H](Br)C1=O)O2 ZINC000587373442 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H](Br)C1=O)O2 ZINC000587373444 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H](Br)C1=O)O2 ZINC000587373445 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H](Br)C1=O)O2 ZINC000587373446 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)([C@@H]1CCOC1)O2 ZINC000587373563 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)([C@H]1CCOC1)O2 ZINC000587373571 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)([C@@H]1CCOC1)O2 ZINC000587373572 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)([C@H]1CCOC1)O2 ZINC000587373573 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C(N)=O)oc1C)O2 ZINC000587373819 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C(N)=O)oc1C)O2 ZINC000587373823 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncc(Br)n1C)O2 ZINC000587374044 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncc(Br)n1C)O2 ZINC000587374045 EF Annotated Anodyne CCOC(=O)[C@@H](Cl)[C@@]1(CC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374279 EF Annotated Reactive CCOC(=O)[C@H](Cl)[C@@]1(CC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374283 EF Annotated Reactive CCOC(=O)[C@H](Cl)[C@]1(CC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374286 EF Annotated Reactive CCOC(=O)[C@@H](Cl)[C@]1(CC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374288 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccncn1)O2 ZINC000587375425 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccncn1)O2 ZINC000587375426 EF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](/C(Br)=C/N(C)C)O2 ZINC000587375445 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](/C(Br)=C/N(C)C)O2 ZINC000587375446 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cnn1C)O2 ZINC000587377496 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)cnn1C)O2 ZINC000587377498 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1nc(Cl)nc1Cl)O2 ZINC000587378330 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1nc(Cl)nc1Cl)O2 ZINC000587378338 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)ncnc1N(C)C)O2 ZINC000587379018 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ncnc1N(C)C)O2 ZINC000587379023 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)nc(=N)[nH]c1Cl)O2 ZINC000587379374 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)nc(=N)[nH]c1Cl)O2 ZINC000587379376 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(S(C)(=O)=O)c1)O2 ZINC000587380990 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(S(C)(=O)=O)c1)O2 ZINC000587380991 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(CC(F)(F)F)CC1)O2 ZINC000587381104 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1cc(F)ccc1F)O2 ZINC000587381529 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1cc(F)ccc1F)O2 ZINC000587381532 EF Annotated Anodyne COC(=O)[C@]1(c2ccc(F)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381905 EF Annotated Anodyne COC(=O)[C@@]1(c2ccc(F)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381908 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1ccc(F)c(F)c1)O2 ZINC000587382117 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1ccc(F)c(F)c1)O2 ZINC000587382118 EF Annotated Anodyne COC(=O)C[C@]1(C2CC(F)(F)C2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382263 EF Annotated Anodyne COC(=O)C[C@@]1(C2CC(F)(F)C2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587382264 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn3ccc(Cl)nc13)O2 ZINC000587382448 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn3ccc(Cl)nc13)O2 ZINC000587382459 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3ccc(Cl)nn13)O2 ZINC000587382591 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3ccc(Cl)nn13)O2 ZINC000587382592 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC=Cn3c1nc(Cl)cc3=O)O2 ZINC000587382702 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC=Cn3c1nc(Cl)cc3=O)O2 ZINC000587382712 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)(F)F)nn(C)c1O)O2 ZINC000587383329 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)(F)F)nn(C)c1O)O2 ZINC000587383330 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(Cl)c2ccccc21 ZINC000587383337 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(Cl)c2ccccc21 ZINC000587383338 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc(F)cc1)(C(=O)O)O2 ZINC000587383394 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc(F)cc1)(C(=O)O)O2 ZINC000587383399 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)Oc3cc(F)ccc31)O2 ZINC000587383481 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)Oc3cc(F)ccc31)O2 ZINC000587383485 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(C)c2ccc(F)cc21 ZINC000587383727 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(C)c2ccc(F)cc21 ZINC000587383728 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(C)c2cc(F)ccc21 ZINC000587383994 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(C)c2cc(F)ccc21 ZINC000587383996 EF Annotated Anodyne COc1ccc(F)cc1[C@@]1(C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384202 EF Annotated Anodyne COc1ccc(F)cc1[C@]1(C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587384205 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(C)(=O)=O)c(F)c1)O2 ZINC000587384208 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(C)(=O)=O)c(F)c1)O2 ZINC000587384210 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(C)cc(F)cc21 ZINC000587384551 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(C)cc(F)cc21 ZINC000587384552 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1nc[nH]n1)O2 ZINC000587384578 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1nc[nH]n1)O2 ZINC000587384579 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1cccc(F)c1)(C(=O)O)O2 ZINC000587384741 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1cccc(F)c1)(C(=O)O)O2 ZINC000587384742 EF Annotated Anodyne CCN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(F)ccc21 ZINC000587384804 EF Annotated Anodyne CCN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(F)ccc21 ZINC000587384806 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(C)(=O)=O)cc1F)O2 ZINC000587384872 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(C)(=O)=O)cc1F)O2 ZINC000587384873 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(F)cc(C)cc21 ZINC000587385284 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(F)cc(C)cc21 ZINC000587385285 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(F)cc(F)c21 ZINC000587385292 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(F)cc(F)c21 ZINC000587385293 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(F)c(F)cc21 ZINC000587385329 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(F)c(F)cc21 ZINC000587385330 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1cnn[nH]1)O2 ZINC000587385363 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1cnn[nH]1)O2 ZINC000587385370 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)NCc1ccco1)O2 ZINC000587385454 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)NCc1ccco1)O2 ZINC000587385456 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c1ccc(F)c2C ZINC000587385505 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c1ccc(F)c2C ZINC000587385509 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(F)ccc(F)c21 ZINC000587385636 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(F)ccc(F)c21 ZINC000587385638 EF Annotated Anodyne CCOC(=O)[C@]1(c2cccnc2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385653 EF Annotated Anodyne CCOC(=O)[C@@]1(c2cccnc2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385655 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)ccc1S(C)(=O)=O)O2 ZINC000587385782 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)ccc1S(C)(=O)=O)O2 ZINC000587385784 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)Oc3ccc(F)cc31)O2 ZINC000587385924 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)Oc3ccc(F)cc31)O2 ZINC000587385927 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1(NC(=O)OC(C)(C)C)CC1)O2 ZINC000587386051 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C1(NC(=O)OC(C)(C)C)CC1)O2 ZINC000587386058 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(C)ccc(F)c21 ZINC000587386132 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(C)ccc(F)c21 ZINC000587386135 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c1ccc(F)c2F ZINC000587386292 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c1ccc(F)c2F ZINC000587386297 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)CCO)cc1)O2 ZINC000587386369 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)CCO)cc1)O2 ZINC000587386374 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1cc(F)ccc1C)O2 ZINC000587386639 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1cc(F)ccc1C)O2 ZINC000587386644 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(F)ccc(C)c21 ZINC000587387250 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(F)ccc(C)c21 ZINC000587387251 EF Annotated Anodyne CCOC(=O)[C@@H](CCC#N)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387539 EF Annotated Mild CCOC(=O)[C@@H](CCC#N)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387540 EF Annotated Mild CCOC(=O)[C@H](CCC#N)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387541 EF Annotated Mild CCOC(=O)[C@H](CCC#N)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387542 EF Annotated Mild COCCN(C)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587387950 EF Annotated Anodyne COCCN(C)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587387951 EF Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@@]1(CC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388172 EF Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@@]1(CC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388173 EF Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(CC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388174 EF Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(CC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388175 EF Annotated Anodyne C/C(=C\[C@@]1(c2cnccn2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C ZINC000587388176 EF Annotated Anodyne C/C(=C\[C@]1(c2cnccn2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C ZINC000587388177 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](CCCNC(=O)C1CCCC1)O2 ZINC000587388198 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCCNC(=O)C1CCCC1)O2 ZINC000587388199 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2CC3C[C@H]1CC(C(N)=O)(C3)C2 ZINC000587388306 EF Annotated Anodyne COC(=O)c1ccc(N)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587388378 EF Annotated Anodyne COC(=O)c1ccc(N)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587388384 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CC(NC(=O)OC(C)(C)C)C1)O2 ZINC000587388386 EF Annotated Anodyne COc1ccc([N+](=O)[O-])c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587388424 EF Annotated Bother COc1ccc([N+](=O)[O-])c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587388426 EF Annotated Bother CC(=O)Nn1c(C)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587388560 EF Annotated Anodyne CC(=O)Nn1c(C)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587388562 EF Annotated Anodyne COc1ccc(OC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1N ZINC000587388629 EF Annotated Anodyne COc1ccc(OC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1N ZINC000587388630 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)c(O)c([N+](=O)[O-])c1)O2 ZINC000587388659 EF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)c(O)c([N+](=O)[O-])c1)O2 ZINC000587388660 EF Annotated Clean CC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388675 EF Annotated Bother CC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388676 EF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1cccnc1)O2 ZINC000587388706 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1cccnc1)O2 ZINC000587388707 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@]3(C(N)=O)CC[C@@]1(C)C3(C)C)O2 ZINC000587388755 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@]3(C(N)=O)CC[C@@]1(C)C3(C)C)O2 ZINC000587388756 EF Annotated Anodyne COC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n(C)c1C ZINC000587388803 EF Annotated Anodyne COC(=O)c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n(C)c1C ZINC000587388805 EF Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c([N+](=O)[O-])c1 ZINC000587388806 EF Annotated Bother COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c([N+](=O)[O-])c1 ZINC000587388819 EF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3c(cc1N)OCO3)O2 ZINC000587388852 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3c(cc1N)OCO3)O2 ZINC000587388861 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)c3oc(=N)[nH]c3c1)O2 ZINC000587388896 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)c3oc(=N)[nH]c3c1)O2 ZINC000587388898 EF Annotated Anodyne COc1cc([N+](=O)[O-])cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O ZINC000587388966 EF Annotated Bother COc1cc([N+](=O)[O-])cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O ZINC000587388967 EF Annotated Bother COC(=O)c1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cn1C ZINC000587389116 EF Annotated Anodyne COC(=O)c1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cn1C ZINC000587389127 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)c(O)cc1[N+](=O)[O-])O2 ZINC000587389157 EF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)c(O)cc1[N+](=O)[O-])O2 ZINC000587389158 EF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C=O)cc([N+](=O)[O-])c1O)O2 ZINC000587389174 EF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C=O)cc([N+](=O)[O-])c1O)O2 ZINC000587389182 EF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)(c1nccn1C)O2 ZINC000587389231 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)(c1nccn1C)O2 ZINC000587389232 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COC(=O)c1ccccc1N)O2 ZINC000587389235 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1C(=O)O)O2 ZINC000587389237 EF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COC(=O)c1ccccc1N)O2 ZINC000587389238 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])cc1C(=O)O)O2 ZINC000587389240 EF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](c1nccn1C)(C1CCOCC1)O2 ZINC000587389302 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1nccn1C)(C1CCOCC1)O2 ZINC000587389303 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3c(cc1N)OCCO3)O2 ZINC000587389529 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3c(cc1N)OCCO3)O2 ZINC000587389532 EF Annotated Anodyne COc1ccc2c(c1)OC=C(N)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389557 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(N)ccc1[N+](=O)[O-])O2 ZINC000587389558 EF Annotated Bother COc1ccc2c(c1)OC=C(N)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389559 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(N)ccc1[N+](=O)[O-])O2 ZINC000587389569 EF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(N)=O)cc1)O2 ZINC000587389573 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(N)=O)cc1)O2 ZINC000587389579 EF Annotated Anodyne COc1c(O)ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1[N+](=O)[O-] ZINC000587389675 EF Annotated Bother COc1c(O)ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1[N+](=O)[O-] ZINC000587389676 EF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1nc(C)c([N+](=O)[O-])c1C)O2 ZINC000587389824 EF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1nc(C)c([N+](=O)[O-])c1C)O2 ZINC000587389838 EF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3nc[nH]c(=N)c31)O2 ZINC000587389959 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3nc[nH]c(=N)c31)O2 ZINC000587389973 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C=O)c(O)c([N+](=O)[O-])c1)O2 ZINC000587389980 EF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C=O)c(O)c([N+](=O)[O-])c1)O2 ZINC000587389983 EF Annotated Bother COc1c([N+](=O)[O-])ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O ZINC000587390021 EF Annotated Bother COc1c([N+](=O)[O-])ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O ZINC000587390023 EF Annotated Bother COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1O ZINC000587390056 EF Annotated Bother COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1O ZINC000587390058 EF Annotated Bother CCOc1ccc([C@@]2(CN)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587390085 EF Annotated Anodyne CCOc1ccc([C@]2(CN)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587390086 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(Cc3ccccc3)nn1)O2 ZINC000587390214 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(Cc3ccccc3)nn1)O2 ZINC000587390217 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H]1Cn1cncn1)O2 ZINC000587390256 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@@H]1Cn1cncn1)O2 ZINC000587390258 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@H]1Cn1cncn1)O2 ZINC000587390259 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H]1Cn1cncn1)O2 ZINC000587390260 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1cnn(C)c1C)O2 ZINC000587390385 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1cnn(C)c1C)O2 ZINC000587390401 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1cnn(C)c1C)O2 ZINC000587390403 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1cnn(C)c1C)O2 ZINC000587390405 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(O[C@@H](C)C(N)=O)c1)O2 ZINC000587390594 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(O[C@H](C)C(N)=O)c1)O2 ZINC000587390595 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(O[C@@H](C)C(N)=O)c1)O2 ZINC000587390596 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(O[C@H](C)C(N)=O)c1)O2 ZINC000587390597 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCCC(N)=O)O2 ZINC000587390609 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCCC(N)=O)O2 ZINC000587390610 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3nc(=N)[nH]cc31)O2 ZINC000587390642 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3nc(=N)[nH]cc31)O2 ZINC000587390643 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cnn(C)c1)(c1ccccc1O)O2 ZINC000587390715 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cnn(C)c1)(c1ccccc1O)O2 ZINC000587390716 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(N)cc1)(c1nccn1C)O2 ZINC000587390767 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(N)cc1)(c1nccn1C)O2 ZINC000587390770 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N)c([N+](=O)[O-])c1)O2 ZINC000587390876 EF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N)c([N+](=O)[O-])c1)O2 ZINC000587390878 EF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](COc1ccc([N+](=O)[O-])cc1)O2 ZINC000587390932 EF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](COc1ccc([N+](=O)[O-])cc1)O2 ZINC000587390933 EF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)O2 ZINC000587390970 EF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)O2 ZINC000587390971 EF Annotated Bother COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc2[nH]c(=N)oc12 ZINC000587391023 EF Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc2[nH]c(=N)oc12 ZINC000587391024 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@H]1NC(=O)OC(C)(C)C)O2 ZINC000587391037 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]1NC(=O)OC(C)(C)C)O2 ZINC000587391038 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]1NC(=O)OC(C)(C)C)O2 ZINC000587391039 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]1NC(=O)OC(C)(C)C)O2 ZINC000587391040 EF Annotated Anodyne COC(=O)[C@@H](C)n1cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391061 EF Annotated Anodyne COC(=O)[C@@H](C)n1cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391062 EF Annotated Anodyne COC(=O)[C@H](C)n1cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391063 EF Annotated Anodyne COC(=O)[C@H](C)n1cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391064 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-n3cnnc3)c1C)O2 ZINC000587391419 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-n3cnnc3)c1C)O2 ZINC000587391424 EF Annotated Anodyne COCCn1nc(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587391547 EF Annotated Anodyne COCCn1nc(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587391550 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O[C@@H](C)C(N)=O)cc1)O2 ZINC000587391596 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O[C@H](C)C(N)=O)cc1)O2 ZINC000587391597 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O[C@@H](C)C(N)=O)cc1)O2 ZINC000587391599 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O[C@H](C)C(N)=O)cc1)O2 ZINC000587391601 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc([N+](=O)[O-])ccc1N)O2 ZINC000587391663 EF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc([N+](=O)[O-])ccc1N)O2 ZINC000587391664 EF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)(C[N+](=O)[O-])O2 ZINC000587391699 EF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)(C[N+](=O)[O-])O2 ZINC000587391701 EF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])c(O)cc1O)O2 ZINC000587391731 EF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])c(O)cc1O)O2 ZINC000587391732 EF Annotated Bother COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])cc1O ZINC000587391803 EF Annotated Bother COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])cc1O ZINC000587391805 EF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](C)C[C@H]1n1cncn1)O2 ZINC000587391824 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](C)C[C@H]1n1cncn1)O2 ZINC000587391829 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](C)C[C@@H]1n1cncn1)O2 ZINC000587391836 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](C)C[C@@H]1n1cncn1)O2 ZINC000587391840 EF Annotated Anodyne CC[C@@]1(c2cc(C(=O)OC)n(C)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391881 EF Annotated Anodyne CC[C@]1(c2cc(C(=O)OC)n(C)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391883 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1cn(C)nc1C)O2 ZINC000587392245 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1cn(C)nc1C)O2 ZINC000587392246 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1cn(C)nc1C)O2 ZINC000587392247 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1cn(C)nc1C)O2 ZINC000587392248 EF Annotated Anodyne CCn1cc([C@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587392271 EF Annotated Anodyne CCn1cc([C@@]2(/C=C\N(C)C)CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587392274 EF Annotated Anodyne CCn1cc([C@@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587392275 EF Annotated Anodyne CCn1cc([C@]2(/C=C\N(C)C)CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587392276 EF Annotated Anodyne C=CCOc1c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)nn1C ZINC000587392358 EF Annotated Mild C=CCOc1c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)nn1C ZINC000587392372 EF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(c1nccn1C)O2 ZINC000587392384 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(c1nccn1C)O2 ZINC000587392386 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(Cc3ccncc3)CC1)O2 ZINC000587392551 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CC(N)=O)c3ccccc13)O2 ZINC000587392603 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CC(N)=O)c3ccccc13)O2 ZINC000587392606 EF Annotated Anodyne CCOC(=O)Cn1cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392607 EF Annotated Anodyne CCOC(=O)Cn1cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392608 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587392807 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587392812 EF Annotated Anodyne CCOC(=O)c1ncccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393073 EF Annotated Anodyne CCn1ccc([C@]2(/C=C\N(C)C)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587393075 EF Annotated Anodyne CCn1ccc([C@@]2(/C=C\N(C)C)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587393076 EF Annotated Anodyne CCn1ccc([C@@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587393077 EF Annotated Anodyne CCn1ccc([C@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587393079 EF Annotated Anodyne CCOC(=O)c1ncccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393087 EF Annotated Anodyne CCn1nccc1[C@]1(/C=C\N(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393165 EF Annotated Anodyne CCn1nccc1[C@@]1(/C=C\N(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393167 EF Annotated Anodyne CCn1nccc1[C@@]1(/C=C/N(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393168 EF Annotated Anodyne CCn1nccc1[C@]1(/C=C/N(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393170 EF Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)n1 ZINC000587393254 EF Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)n1 ZINC000587393255 EF Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)nc1OC ZINC000587393270 EF Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)nc1OC ZINC000587393271 EF Annotated Anodyne CCOC(=O)c1ccnc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587393509 EF Annotated Anodyne CCOC(=O)c1ccnc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587393511 EF Annotated Anodyne CCOC(=O)C[C@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393731 EF Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393732 EF Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)nc1OC ZINC000587393772 EF Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)nc1OC ZINC000587393773 EF Annotated Anodyne CCOC(=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)nc1 ZINC000587393802 EF Annotated Anodyne CCOC(=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)nc1 ZINC000587393803 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc3c(C#N)cnn3c1C)O2 ZINC000587393891 EF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc3c(C#N)cnn3c1C)O2 ZINC000587393896 EF Annotated Mild CCOC(=O)[C@@]1(c2ncccc2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393944 EF Annotated Anodyne CCOC(=O)[C@]1(c2ncccc2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393947 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1ncccc1C(=O)O)O2 ZINC000587394051 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ncccc1C(=O)O)O2 ZINC000587394052 EF Annotated Anodyne COC(=O)c1ccnc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587394053 EF Annotated Anodyne COC(=O)c1ccnc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587394054 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc3nc(C)nn3c1C)O2 ZINC000587394077 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc3nc(C)nn3c1C)O2 ZINC000587394088 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccccn1)O2 ZINC000587394100 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccccn1)O2 ZINC000587394105 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C(=O)O)c(O)nc1C)O2 ZINC000587394155 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C(=O)O)c(O)nc1C)O2 ZINC000587394157 EF Annotated Anodyne CCOC(=O)c1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587394259 EF Annotated Anodyne CCOC(=O)c1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587394260 EF Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c(OC)n1 ZINC000587394668 EF Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c(OC)n1 ZINC000587394669 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)n2ccnc21 ZINC000587394672 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)n2ccnc21 ZINC000587394673 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)N1C[C@H](C)O[C@H](C)C1)O2 ZINC000587394898 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)N1C[C@H](C)O[C@@H](C)C1)O2 ZINC000587394899 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)N1C[C@H](C)O[C@H](C)C1)O2 ZINC000587394900 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)N1C[C@@H](C)O[C@H](C)C1)O2 ZINC000587394903 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(c1ccncn1)O2 ZINC000587394914 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(c1ccncn1)O2 ZINC000587394915 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCn3c(O)nc4cccc1c43)O2 ZINC000587394951 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCn3c(O)nc4cccc1c43)O2 ZINC000587394952 EF Annotated Anodyne CCOC(=O)C[C@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587394954 EF Annotated Anodyne CCOC(=O)C[C@@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587394955 EF Annotated Anodyne CCOC(=O)C[C@]1(c2ccncc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395131 EF Annotated Anodyne CCOC(=O)C[C@@]1(c2ccncc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395133 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(Cc3ccccn3)CC1)O2 ZINC000587395472 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccncc1)O2 ZINC000587395787 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccncc1)O2 ZINC000587395788 EF Annotated Anodyne CCOC(=O)c1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)on1 ZINC000587395836 EF Annotated Anodyne CCOC(=O)c1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)on1 ZINC000587395839 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CCN1C(=O)OC(C)(C)C)O2 ZINC000587395948 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1CCN1C(=O)OC(C)(C)C)O2 ZINC000587395949 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CCN1C(=O)OC(C)(C)C)O2 ZINC000587395950 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1CCN1C(=O)OC(C)(C)C)O2 ZINC000587395951 EF Annotated Anodyne COC(=O)c1noc(C)c1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396071 EF Annotated Anodyne COC(=O)c1noc(C)c1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396072 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN3Cc4ccccc4N[C@@H]31)O2 ZINC000587396095 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN3Cc4ccccc4N[C@H]31)O2 ZINC000587396096 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN3Cc4ccccc4N[C@@H]31)O2 ZINC000587396097 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN3Cc4ccccc4N[C@H]31)O2 ZINC000587396098 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N2CCCc3cccc1c32 ZINC000587396169 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N2CCCc3cccc1c32 ZINC000587396171 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(Cc3ccccc3)C1=O)O2 ZINC000587396249 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(Cc3ccccc3)C1=O)O2 ZINC000587396250 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)[C@@H]1C)O2 ZINC000587396408 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)[C@H]1C)O2 ZINC000587396409 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)[C@H]1C)O2 ZINC000587396410 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)[C@@H]1C)O2 ZINC000587396411 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCC(O)CC3)o1)O2 ZINC000587396512 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCC(O)CC3)o1)O2 ZINC000587396514 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1[nH]c(C)c(CC(=O)O)c1C)O2 ZINC000587396569 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1[nH]c(C)c(CC(=O)O)c1C)O2 ZINC000587396571 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)O2 ZINC000587396621 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C1CN(C(=O)OC(C)(C)C)C1)O2 ZINC000587396622 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C[C@@H]3CCCO3)C[C@@H]1C)O2 ZINC000587396655 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C[C@H]3CCCO3)C[C@@H]1C)O2 ZINC000587396657 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C[C@@H]3CCCO3)C[C@H]1C)O2 ZINC000587396658 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C[C@H]3CCCO3)C[C@H]1C)O2 ZINC000587396659 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(Cc3cccnc3)CC1)O2 ZINC000587396794 EF Annotated Anodyne CCOC(=O)N1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1(C)C ZINC000587397251 EF Annotated Anodyne CCOC(=O)N1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1(C)C ZINC000587397252 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCOCC3)o1)O2 ZINC000587397439 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCOCC3)o1)O2 ZINC000587397442 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1n[nH]c3cc(C(=O)O)ccc13)O2 ZINC000587397455 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1n[nH]c3cc(C(=O)O)ccc13)O2 ZINC000587397457 EF Annotated Anodyne CC[C@]1(c2c[nH]c(C(=O)OC)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397548 EF Annotated Anodyne CC[C@@]1(c2c[nH]c(C(=O)OC)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397549 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1cnc3ccccc3c1=O)O2 ZINC000587397993 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1cnc3ccccc3c1=O)O2 ZINC000587397994 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnc(N3CCOCC3)c1)O2 ZINC000587397997 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnc(N3CCOCC3)c1)O2 ZINC000587398000 EF Annotated Anodyne COc1ccc2c(n1)NCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398081 EF Annotated Anodyne COc1ccc2c(n1)NCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398082 EF Annotated Anodyne CCOC(=O)[C@@H](CC)[C@@]1(COC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398089 EF Annotated Anodyne CCOC(=O)[C@@H](CC)[C@]1(COC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398090 EF Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(COC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398091 EF Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(COC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398092 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)N[C@H](c3ccccc3)C1)O2 ZINC000587398141 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)N[C@H](c3ccccc3)C1)O2 ZINC000587398142 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)N[C@@H](c3ccccc3)C1)O2 ZINC000587398143 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)N[C@@H](c3ccccc3)C1)O2 ZINC000587398145 EF Annotated Anodyne COc1cc(C(=O)O)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587398152 EF Annotated Anodyne COc1cc(C(=O)O)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587398153 EF Annotated Anodyne COC(=O)C1C[C@@H]2CC[C@H](C1)C21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398154 EF Annotated Anodyne COC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1O ZINC000587398175 EF Annotated Anodyne COC(=O)c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1O ZINC000587398177 EF Annotated Anodyne CCO/C=C(/C(=O)OCC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398260 EF Annotated Anodyne CCO/C=C(/C(=O)OCC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398261 EF Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398262 EF Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398263 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CN3CCOCC3)o1)O2 ZINC000587398379 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CN3CCOCC3)o1)O2 ZINC000587398380 EF Annotated Anodyne COC(=O)COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587398403 EF Annotated Anodyne COC(=O)COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587398405 EF Annotated Anodyne COC(=O)c1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1O ZINC000587398648 EF Annotated Anodyne COC(=O)c1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1O ZINC000587398651 EF Annotated Anodyne COC(=O)c1ccc(O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587398653 EF Annotated Anodyne COC(=O)c1ccc(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587398655 EF Annotated Anodyne CCOC(=O)C(=O)[C@H]1CCCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398675 EF Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398676 EF Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398677 EF Annotated Anodyne CCOC(=O)C(=O)[C@H]1CCCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398679 EF Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398701 EF Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398704 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2N(C)C(=O)[C@H]1C#N ZINC000587398800 EF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2N(C)C(=O)[C@@H]1C#N ZINC000587398804 EF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2N(C)C(=O)[C@H]1C#N ZINC000587398807 EF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2N(C)C(=O)[C@@H]1C#N ZINC000587398809 EF Annotated Mild CCc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2C ZINC000587398817 EF Annotated Anodyne CCc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2C ZINC000587398818 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccn1)([C@@H]1CCCNC1)O2 ZINC000587398879 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccn1)([C@H]1CCCNC1)O2 ZINC000587398883 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccn1)([C@@H]1CCCNC1)O2 ZINC000587398885 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccn1)([C@H]1CCCNC1)O2 ZINC000587398886 EF Annotated Anodyne COC(=O)c1ccc(C=O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587399051 EF Annotated Anodyne COC(=O)c1ccc(C=O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587399053 EF Annotated Anodyne CCC[C@]1(CC(=O)C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399179 EF Annotated Anodyne CCC[C@@]1(CC(=O)C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399180 EF Annotated Anodyne CCOc1ccc2c(c1)NC(=O)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399236 EF Annotated Anodyne CCOc1ccc2c(c1)NC(=O)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399237 EF Annotated Anodyne COC(=O)COc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399452 EF Annotated Anodyne COC(=O)COc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399455 EF Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CO ZINC000587399495 EF Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CO ZINC000587399500 EF Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(=O)O ZINC000587399559 EF Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(=O)O ZINC000587399561 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CN1Cc3ccccc3C1=O)O2 ZINC000587399637 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CN1Cc3ccccc3C1=O)O2 ZINC000587399638 EF Annotated Anodyne CCOC(=O)[C@@H](CCOC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399742 EF Annotated Anodyne CCOC(=O)[C@@H](CCOC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399743 EF Annotated Anodyne CCOC(=O)[C@H](CCOC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399744 EF Annotated Anodyne CCOC(=O)[C@H](CCOC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399745 EF Annotated Anodyne COC(=O)Cc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399776 EF Annotated Anodyne COC(=O)Cc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399780 EF Annotated Anodyne COC(=O)Cc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587399960 EF Annotated Anodyne COC(=O)Cc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587399961 EF Annotated Anodyne COC(=O)[C@@H]1c2ccccc2C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587399970 EF Annotated Anodyne COC(=O)[C@@H]1c2ccccc2C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587399971 EF Annotated Anodyne COC(=O)[C@H]1c2ccccc2C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587399972 EF Annotated Anodyne COC(=O)[C@H]1c2ccccc2C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587399973 EF Annotated Anodyne COc1ccc(C(=O)O)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400212 EF Annotated Anodyne COc1ccc(C(=O)O)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400215 EF Annotated Anodyne COC(=O)Cc1ccc(O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587400255 EF Annotated Anodyne COC(=O)Cc1ccc(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587400257 EF Annotated Anodyne C=CCN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587400547 EF Annotated Mild C=CCN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587400548 EF Annotated Mild COc1ccccc1[C@@]1(C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400718 EF Annotated Anodyne COc1ccccc1[C@]1(C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400721 EF Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c(O)c1O ZINC000587400722 EF Annotated Clean COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c(O)c1O ZINC000587400725 EF Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)OCC(=O)N3)O2 ZINC000587400778 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)OCC(=O)N3)O2 ZINC000587400780 EF Annotated Anodyne CCOc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2 ZINC000587400812 EF Annotated Anodyne CCOc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2 ZINC000587400813 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCOCC3)nc1)O2 ZINC000587400880 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCOCC3)nc1)O2 ZINC000587400882 EF Annotated Anodyne COc1ccccc1C[C@@]1(C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400995 EF Annotated Anodyne COc1ccccc1C[C@]1(C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400997 EF Annotated Anodyne COC(=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C=O)c1 ZINC000587401064 EF Annotated Anodyne COC(=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C=O)c1 ZINC000587401065 EF Annotated Anodyne COc1cc([C@]2([C@H](C)O)CC(=O)c3cc(C)cc(N)c3O2)ccc1O ZINC000587401071 EF Annotated Anodyne COc1cc([C@]2([C@@H](C)O)CC(=O)c3cc(C)cc(N)c3O2)ccc1O ZINC000587401074 EF Annotated Anodyne COc1cc([C@@]2([C@H](C)O)CC(=O)c3cc(C)cc(N)c3O2)ccc1O ZINC000587401076 EF Annotated Anodyne COc1cc([C@@]2([C@@H](C)O)CC(=O)c3cc(C)cc(N)c3O2)ccc1O ZINC000587401077 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCN(C)CC3)o1)O2 ZINC000587401088 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCN(C)CC3)o1)O2 ZINC000587401094 EF Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(=O)O)c1 ZINC000587401125 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1N1CCNCC1)O2 ZINC000587401127 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1N1CCNCC1)O2 ZINC000587401129 EF Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(=O)O)c1 ZINC000587401130 EF Annotated Anodyne COC(=O)COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587401164 EF Annotated Anodyne COC(=O)COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587401166 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCNCC3)cc1)O2 ZINC000587401187 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCNCC3)cc1)O2 ZINC000587401188 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)NC(=O)CO3)O2 ZINC000587401549 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)NC(=O)CO3)O2 ZINC000587401550 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccnc1N1CCOCC1)O2 ZINC000587401611 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccnc1N1CCOCC1)O2 ZINC000587401612 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3c(c1)OCCN3C)O2 ZINC000587401623 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3c(c1)OCCN3C)O2 ZINC000587401624 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC(N3CCOCC3)CC1)O2 ZINC000587401653 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)C(OC(C)C)=C1OC(C)C ZINC000587401913 EF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)C(OC(C)C)=C1OC(C)C ZINC000587401914 EF Annotated Mild COc1ccc(C)c2c1NC(=O)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401986 EF Annotated Anodyne COc1ccc(C)c2c1NC(=O)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401987 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(N3CCOCC3)n1)O2 ZINC000587402138 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(N3CCOCC3)n1)O2 ZINC000587402140 EF Annotated Anodyne COc1ccc([C@@]2(C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587402155 EF Annotated Anodyne COc1ccc([C@]2(C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587402157 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCC(=O)O)cc1)O2 ZINC000587402327 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCC(=O)O)cc1)O2 ZINC000587402328 EF Annotated Anodyne COc1cc(C)c2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2 ZINC000587402467 EF Annotated Anodyne COc1cc(C)c2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2 ZINC000587402470 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(=O)O)cc1)O2 ZINC000587402480 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(=O)O)cc1)O2 ZINC000587402481 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1[C@@H](O)C(=O)O)O2 ZINC000587402627 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1[C@H](O)C(=O)O)O2 ZINC000587402628 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1[C@H](O)C(=O)O)O2 ZINC000587402629 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1[C@@H](O)C(=O)O)O2 ZINC000587402631 EF Annotated Anodyne COc1cccc(C[C@@]2(C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587402677 EF Annotated Anodyne COc1cccc(C[C@]2(C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587402679 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2CC=C[C@H]1C[C@H](C(=O)O)C2 ZINC000587403348 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2CC=C[C@H]1C[C@@H](C(=O)O)C2 ZINC000587403349 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2CC=C[C@H]1C[C@H](C(=O)O)C2 ZINC000587403350 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2CC=C[C@H]1C[C@@H](C(=O)O)C2 ZINC000587403351 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C=O)cc(C=O)c1O)O2 ZINC000587403607 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C=O)cc(C=O)c1O)O2 ZINC000587403608 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC(=O)O)(c1ccc(O)cc1)O2 ZINC000587403891 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC(=O)O)(c1ccc(O)cc1)O2 ZINC000587403892 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C=O)c(O)c(C=O)c1)O2 ZINC000587404496 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C=O)c(O)c(C=O)c1)O2 ZINC000587404497 EF Annotated Anodyne Cc1cc(C)c([C@]2(C(O)O)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587405530 EF Annotated Anodyne Cc1cc(C)c([C@@]2(C(O)O)CC(=O)c3cc(C)cc(N)c3O2)c(C)c1 ZINC000587405537 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C=O)c(O)c(C)c1O)O2 ZINC000587405799 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C=O)c(O)c(C)c1O)O2 ZINC000587405804 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CS(=O)(=O)c1ccccc1)O2 ZINC000587406240 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CS(=O)(=O)c1ccccc1)O2 ZINC000587406241 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC(CCCC(=O)O)(CCCC(=O)O)O2 ZINC000587406369 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3cc4c(cc31)OCO4)O2 ZINC000587406689 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3cc4c(cc31)OCO4)O2 ZINC000587406697 EF Annotated Anodyne CCOC(=O)C[C@@]1(c2ccco2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587407504 EF Annotated Anodyne CCOC(=O)C[C@]1(c2ccco2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587407505 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1NS(C)(=O)=O)O2 ZINC000587407661 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1NS(C)(=O)=O)O2 ZINC000587407663 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(C(=O)O)=COc2ccccc21 ZINC000587407730 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C(=O)O)=COc2ccccc21 ZINC000587407731 EF Annotated Anodyne COc1cccc2c1OC[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C2 ZINC000587407757 EF Annotated Anodyne COc1cccc2c1OC[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C2 ZINC000587407762 EF Annotated Anodyne CCOC(=O)C[C@@]1(C[C@H]2CCCO2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587407874 EF Annotated Anodyne CCOC(=O)C[C@]1(C[C@@H]2CCCO2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587407877 EF Annotated Anodyne CCOC(=O)C[C@@]1(C[C@@H]2CCCO2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587407880 EF Annotated Anodyne CCOC(=O)C[C@]1(C[C@H]2CCCO2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587407882 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(C)(=O)=O)cc1)O2 ZINC000587408086 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(C)(=O)=O)cc1)O2 ZINC000587408087 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CC4(C[C@H]3C1)OCCO4)O2 ZINC000587408208 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CC4(C[C@H]3C1)OCCO4)O2 ZINC000587408211 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(S(C)(=O)=O)c1)O2 ZINC000587408449 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(S(C)(=O)=O)c1)O2 ZINC000587408451 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCc1ccccc1)(C(=O)O)O2 ZINC000587409016 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCc1ccccc1)(C(=O)O)O2 ZINC000587409017 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(NS(C)(=O)=O)cc1)O2 ZINC000587409071 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(NS(C)(=O)=O)cc1)O2 ZINC000587409086 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(C)(=O)=O)cc1)O2 ZINC000587409576 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(C)(=O)=O)cc1)O2 ZINC000587409578 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)nc(O)nc1S)O2 ZINC000587410070 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)nc(O)nc1S)O2 ZINC000587410071 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(C(=O)O)Oc3ccccc31)O2 ZINC000587410113 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(C(=O)O)Oc3ccccc31)O2 ZINC000587410116 EF Annotated Anodyne C=CN1CC[C@@H]([C@@]2(CSC)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587410376 EF Annotated Anodyne C=CN1CC[C@@H]([C@]2(CSC)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587410377 EF Annotated Anodyne C=CN1CC[C@H]([C@]2(CSC)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587410378 EF Annotated Anodyne C=CN1CC[C@H]([C@@]2(CSC)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587410379 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(NS(C)(=O)=O)c1)O2 ZINC000587410614 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(NS(C)(=O)=O)c1)O2 ZINC000587410615 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(C)(=O)=O)s1)O2 ZINC000587410633 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(C)(=O)=O)s1)O2 ZINC000587410634 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1S(C)(=O)=O)O2 ZINC000587410680 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1S(C)(=O)=O)O2 ZINC000587410681 EF Annotated Anodyne COC[C@]1(CCCCC2OCCO2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410870 EF Annotated Anodyne COC[C@@]1(CCCCC2OCCO2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410872 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(C3OCCO3)s1)O2 ZINC000587410941 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(C3OCCO3)s1)O2 ZINC000587410944 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3nnc(C)s3)CC1)O2 ZINC000587410985 EF Annotated Anodyne CCOC(=O)c1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587411095 EF Annotated Anodyne CCOC(=O)c1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)s1 ZINC000587411096 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCNCC3)s1)O2 ZINC000587411191 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCNCC3)s1)O2 ZINC000587411196 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncc(C3OCCO3)s1)O2 ZINC000587411227 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncc(C3OCCO3)s1)O2 ZINC000587411230 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCS(=O)(=O)c3ccccc31)O2 ZINC000587411735 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCS(=O)(=O)c3ccccc31)O2 ZINC000587411736 EF Annotated Anodyne CC(=O)N(C)c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 ZINC000587412177 EF Annotated Anodyne CC(=O)N(C)c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 ZINC000587412182 EF Annotated Anodyne CCOC(=O)C[C@]1(C2CCOCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587412311 EF Annotated Anodyne CCOC(=O)C[C@@]1(C2CCOCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587412312 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1n[nH]c(C)c1Br)[C@@H](C2)C3=O ZINC000587412602 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1n[nH]c(C)c1Br)[C@@H](C2)C3=O ZINC000587412609 EF Annotated Anodyne CCO[C@@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C12CCOCC2 ZINC000587412804 EF Annotated Anodyne CCO[C@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C12CCOCC2 ZINC000587412805 EF Annotated Anodyne CCO[C@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C12CCOCC2 ZINC000587412806 EF Annotated Anodyne CCO[C@@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C12CCOCC2 ZINC000587412807 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Br)cnn1C)[C@@H](C2)C3=O ZINC000587412956 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Br)cnn1C)[C@@H](C2)C3=O ZINC000587412957 EF Annotated Anodyne CCOC(=O)[C@H]1CCSCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587413358 EF Annotated Anodyne CCOC(=O)[C@H]1CCSCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587413360 EF Annotated Anodyne CCOC(=O)[C@@H]1CCSCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587413361 EF Annotated Anodyne CCOC(=O)[C@@H]1CCSCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587413363 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1nc[nH]n1)(c1cccs1)O2 ZINC000587413465 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1nc[nH]n1)(c1cccs1)O2 ZINC000587413466 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)OC(C)(C)C)(C1=COCC1)O2 ZINC000587413498 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)OC(C)(C)C)(C1=COCC1)O2 ZINC000587413501 EF Annotated Anodyne CC[C@@]1(C2(C(=O)OC)CCOCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413532 EF Annotated Anodyne CC[C@]1(C2(C(=O)OC)CCOCC2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413533 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1n[nH]cc1Br)[C@@H](C2)C3=O ZINC000587413767 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1n[nH]cc1Br)[C@@H](C2)C3=O ZINC000587413769 EF Annotated Anodyne COc1nc(N(C)C)sc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413854 EF Annotated Anodyne COc1nc(N(C)C)sc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413855 EF Annotated Anodyne CCOC(=O)C[C@]1(c2nccs2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413860 EF Annotated Anodyne CCOC(=O)C[C@@]1(c2nccs2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413861 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(N3CCOCC3)s1)O2 ZINC000587414271 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(N3CCOCC3)s1)O2 ZINC000587414272 EF Annotated Anodyne CCOC(=O)c1csc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587414729 EF Annotated Anodyne CCOC(=O)c1csc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587414730 EF Annotated Anodyne CCOC(=O)c1scnc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587414853 EF Annotated Anodyne CCOC(=O)c1scnc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587414855 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1nccs1)O2 ZINC000587415121 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1nccs1)O2 ZINC000587415122 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1nccs1)O2 ZINC000587415123 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1nccs1)O2 ZINC000587415124 EF Annotated Anodyne C=C1Nn2c(nc(C)c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)S1 ZINC000587415231 EF Annotated Anodyne C=C1Nn2c(nc(C)c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)S1 ZINC000587415235 EF Annotated Anodyne CCOC(=O)C[C@@]1(c2ccoc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415284 EF Annotated Anodyne CCOC(=O)C[C@]1(c2ccoc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415285 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)(c1c[nH][nH]c1=N)O2 ZINC000587415369 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccs1)(c1c[nH][nH]c1=N)O2 ZINC000587415370 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc3ncnn3c1C)O2 ZINC000587415532 EF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc3ncnn3c1C)O2 ZINC000587415535 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](/C(Br)=C/N(C)C)[C@@H](C2)C3=O ZINC000587415536 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](/C(Br)=C/N(C)C)[C@@H](C2)C3=O ZINC000587415538 EF Annotated Anodyne CCOC(=O)[C@H]1CSCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587415562 EF Annotated Anodyne CCOC(=O)[C@@H]1CSCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587415563 EF Annotated Anodyne CCOC(=O)[C@H]1CSCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587415564 EF Annotated Anodyne CCOC(=O)[C@@H]1CSCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587415565 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ncc(Br)cn1)[C@@H](C2)C3=O ZINC000587416418 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ncc(Br)cn1)[C@@H](C2)C3=O ZINC000587416419 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)no1)[C@@H](C2)C3=O ZINC000587416538 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)no1)[C@@H](C2)C3=O ZINC000587416544 EF Annotated Anodyne CCOC(=O)[C@@H](Cl)[C@@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416555 EF Annotated Reactive CCOC(=O)[C@H](Cl)[C@@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416558 EF Annotated Reactive CCOC(=O)[C@@H](Cl)[C@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416560 EF Annotated Reactive CCOC(=O)[C@H](Cl)[C@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416562 EF Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(Br)nn1C)[C@@H](C2)C3=O ZINC000587416766 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)nn1C)[C@@H](C2)C3=O ZINC000587416767 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nn(C)cc1Br)[C@@H](C2)C3=O ZINC000587416813 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nn(C)cc1Br)[C@@H](C2)C3=O ZINC000587416814 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(Br)n1C)[C@@H](C2)C3=O ZINC000587416912 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(Br)n1C)[C@@H](C2)C3=O ZINC000587416913 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Br)ncn1C)[C@@H](C2)C3=O ZINC000587417300 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Br)ncn1C)[C@@H](C2)C3=O ZINC000587417302 EF Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(CC(F)(F)F)CC1)[C@@H](C2)C3=O ZINC000587418084 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc4ccc(Cl)nn14)[C@@H](C2)C3=O ZINC000587418085 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc4ccc(Cl)nn14)[C@@H](C2)C3=O ZINC000587418086 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)ncc1C(=O)O)[C@@H](C2)C3=O ZINC000587418170 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ncc1C(=O)O)[C@@H](C2)C3=O ZINC000587418171 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1ccc(O)c(O)c1)[C@@H](C2)C3=O ZINC000587418196 EF Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(O)c(O)c1)[C@@H](C2)C3=O ZINC000587418199 EF Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ncc(Br)n1C)[C@@H](C2)C3=O ZINC000587418255 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ncc(Br)n1C)[C@@H](C2)C3=O ZINC000587418257 EF Annotated Anodyne CCOC(=O)CC[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418290 EF Annotated Reactive CCOC(=O)CC[C@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418292 EF Annotated Reactive COc1cc2c3c(c1)O[C@](CO)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587418521 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CO)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587418523 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(CC(F)F)nc1C)[C@@H](C2)C3=O ZINC000587418662 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(CC(F)F)nc1C)[C@@H](C2)C3=O ZINC000587418663 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(C(F)F)[C@@H](C2)C3=O ZINC000587418731 EF Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(C(F)F)[C@@H](C2)C3=O ZINC000587418740 EF Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cnn4ccc(Cl)nc14)[C@@H](C2)C3=O ZINC000587418925 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn4ccc(Cl)nc14)[C@@H](C2)C3=O ZINC000587418929 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(Cl)c4ccccc41)[C@@H](C2)C3=O ZINC000587418970 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(Cl)c4ccccc41)[C@@H](C2)C3=O ZINC000587418973 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccn(CC(F)(F)F)n1)[C@@H](C2)C3=O ZINC000587419409 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccn(CC(F)(F)F)n1)[C@@H](C2)C3=O ZINC000587419418 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn(CCCl)c1C)[C@@H](C2)C3=O ZINC000587419534 EF Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cnn(CCCl)c1C)[C@@H](C2)C3=O ZINC000587419543 EF Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1nccc(C(F)(F)F)n1)[C@@H](C2)C3=O ZINC000587419613 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nccc(C(F)(F)F)n1)[C@@H](C2)C3=O ZINC000587419616 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(Br)nc1)[C@@H](C2)C3=O ZINC000587419723 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(Br)nc1)[C@@H](C2)C3=O ZINC000587419724 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](CN)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587419936 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CN)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587419947 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnn(C)c1C(F)(F)F)[C@@H](C2)C3=O ZINC000587420088 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn(C)c1C(F)(F)F)[C@@H](C2)C3=O ZINC000587420098 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(Cl)cccc41)[C@@H](C2)C3=O ZINC000587420188 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(Cl)cccc41)[C@@H](C2)C3=O ZINC000587420189 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(CCCl)nc1C)[C@@H](C2)C3=O ZINC000587420307 EF Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cn(CCCl)nc1C)[C@@H](C2)C3=O ZINC000587420308 EF Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587420602 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587420606 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1c(C)nn(C)c1C)(C(F)F)[C@@H](C2)C3=O ZINC000587420700 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1c(C)nn(C)c1C)(C(F)F)[C@@H](C2)C3=O ZINC000587420708 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nccn1CC(F)(F)F)[C@@H](C2)C3=O ZINC000587420823 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nccn1CC(F)(F)F)[C@@H](C2)C3=O ZINC000587420827 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cnn(C)c1C)(C(F)F)[C@@H](C2)C3=O ZINC000587420860 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cnn(C)c1C)(C(F)F)[C@@H](C2)C3=O ZINC000587420868 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)ncnc1N(C)C)[C@@H](C2)C3=O ZINC000587420921 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)ncnc1N(C)C)[C@@H](C2)C3=O ZINC000587420923 EF Annotated Anodyne COC1=COC(CCl)=C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587420961 EF Annotated Reactive COC1=COC(CCl)=C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587420966 EF Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cnn(CC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587421343 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn(CC(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587421344 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)nn1C)[C@@H](C2)C3=O ZINC000587421433 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)nn1C)[C@@H](C2)C3=O ZINC000587421436 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](CO)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587421658 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CO)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587421660 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)C(Cl)=C1OC(C)C)[C@@H](C2)C3=O ZINC000587421741 EF Annotated Mild COc1cc2c3c(c1)O[C@@]1(C(=O)C(Cl)=C1OC(C)C)[C@@H](C2)C3=O ZINC000587421747 EF Annotated Mild COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C(=O)O)co1)[C@@H](C2)C3=O ZINC000587421867 EF Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C(=O)O)co1)[C@@H](C2)C3=O ZINC000587421876 EF Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cn(C)nc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587422126 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C)nc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587422127 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cn(C)nc1C)(C(F)F)[C@@H](C2)C3=O ZINC000587422129 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cn(C)nc1C)(C(F)F)[C@@H](C2)C3=O ZINC000587422131 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587422581 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587422585 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(C(F)(F)F)nc1)[C@@H](C2)C3=O ZINC000587422648 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(C(F)(F)F)nc1)[C@@H](C2)C3=O ZINC000587422649 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1cc([N+](=O)[O-])c[nH]1)[C@@H](C2)C3=O ZINC000587422717 EF Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc([N+](=O)[O-])c[nH]1)[C@@H](C2)C3=O ZINC000587422722 EF Annotated Reactive COc1cc2c3c(c1)O[C@@H](C(=O)c1cc(F)ccc1F)[C@@H](C2)C3=O ZINC000587423030 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](C(=O)c1cc(F)ccc1F)[C@@H](C2)C3=O ZINC000587423033 EF Annotated Anodyne CCn1cc([C@]2(C(F)F)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587423821 EF Annotated Anodyne CCn1cc([C@@]2(C(F)F)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587423835 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)C(OC(C)C)=C1Cl)[C@@H](C2)C3=O ZINC000587423842 EF Annotated Mild COc1cc2c3c(c1)O[C@]1(C(=O)C(OC(C)C)=C1Cl)[C@@H](C2)C3=O ZINC000587423845 EF Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cc(C(=O)CCl)c[nH]1)[C@@H](C2)C3=O ZINC000587423857 EF Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(C(=O)CCl)c[nH]1)[C@@H](C2)C3=O ZINC000587423858 EF Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1c(C(F)F)nn(C)c1O)[C@@H](C2)C3=O ZINC000587424083 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(F)F)nn(C)c1O)[C@@H](C2)C3=O ZINC000587424087 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnn(CC(F)F)c1C)[C@@H](C2)C3=O ZINC000587424186 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn(CC(F)F)c1C)[C@@H](C2)C3=O ZINC000587424188 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1c[nH]c(C=O)c1)[C@@H](C2)C3=O ZINC000587424264 EF Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1c[nH]c(C=O)c1)[C@@H](C2)C3=O ZINC000587424266 EF Annotated Reactive COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cccc(Cl)c41)[C@@H](C2)C3=O ZINC000587424289 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cccc(Cl)c41)[C@@H](C2)C3=O ZINC000587424290 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)nc(OC)n1C)[C@@H](C2)C3=O ZINC000587424437 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)nc(OC)n1C)[C@@H](C2)C3=O ZINC000587424445 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C=O)(c1ccc(F)c(C)c1)[C@@H](C2)C3=O ZINC000587424701 EF Annotated Mild COc1cc2c3c(c1)O[C@@](C=O)(c1ccc(F)c(C)c1)[C@@H](C2)C3=O ZINC000587424702 EF Annotated Mild COc1cc2c3c(c1)O[C@@H](c1c(F)ccc([N+](=O)[O-])c1O)[C@@H](C2)C3=O ZINC000587424745 EF Annotated Bother COc1cc2c3c(c1)O[C@H](c1c(F)ccc([N+](=O)[O-])c1O)[C@@H](C2)C3=O ZINC000587424746 EF Annotated Bother COc1cc2c3c(c1)O[C@](C=O)(c1cc(F)ccc1F)[C@@H](C2)C3=O ZINC000587424777 EF Annotated Mild COc1cc2c3c(c1)O[C@@](C=O)(c1cc(F)ccc1F)[C@@H](C2)C3=O ZINC000587424778 EF Annotated Mild COc1cc2c3c(c1)O[C@](C(=O)O)(c1cc(F)ccc1F)[C@@H](C2)C3=O ZINC000587424885 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)(c1cc(F)ccc1F)[C@@H](C2)C3=O ZINC000587424886 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C(=O)c1ccc(F)c(F)c1)[C@@H](C2)C3=O ZINC000587425532 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](C(=O)c1ccc(F)c(F)c1)[C@@H](C2)C3=O ZINC000587425533 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)(c1ccccc1F)[C@@H](C2)C3=O ZINC000587425657 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccccc1F)[C@@H](C2)C3=O ZINC000587425664 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c1ccc(F)c4C)[C@@H](C2)C3=O ZINC000587425718 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c1ccc(F)c4C)[C@@H](C2)C3=O ZINC000587425721 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(F)cc(C)cc41)[C@@H](C2)C3=O ZINC000587426263 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(F)cc(C)cc41)[C@@H](C2)C3=O ZINC000587426265 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(F)cc(F)c41)[C@@H](C2)C3=O ZINC000587426528 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(F)cc(F)c41)[C@@H](C2)C3=O ZINC000587426532 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccccn1)[C@@H](C2)C3=O ZINC000587426628 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccccn1)[C@@H](C2)C3=O ZINC000587426635 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCCNC(=O)C1CCCC1)[C@@H](C2)C3=O ZINC000587426713 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCCNC(=O)C1CCCC1)[C@@H](C2)C3=O ZINC000587426715 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(N)c1)[C@@H](C2)C3=O ZINC000587426896 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(N)c1)[C@@H](C2)C3=O ZINC000587426897 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C1(NC(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587426993 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](C1(NC(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587426996 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(=O)Oc4cc(F)ccc41)[C@@H](C2)C3=O ZINC000587427151 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(=O)Oc4cc(F)ccc41)[C@@H](C2)C3=O ZINC000587427157 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CN(C)C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587427261 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](CN(C)C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587427269 EF Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(N)c1 ZINC000587427532 EF Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(N)c1 ZINC000587427533 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)(c1cc(F)ccc1C)[C@@H](C2)C3=O ZINC000587427595 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)(c1cc(F)ccc1C)[C@@H](C2)C3=O ZINC000587427597 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427624 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587427626 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4cc(O)c(F)cc41)[C@@H](C2)C3=O ZINC000587427702 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4cc(O)c(F)cc41)[C@@H](C2)C3=O ZINC000587427703 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C=O)(c1ccc(F)c(F)c1)[C@@H](C2)C3=O ZINC000587427717 EF Annotated Mild COc1cc2c3c(c1)O[C@@](C=O)(c1ccc(F)c(F)c1)[C@@H](C2)C3=O ZINC000587427718 EF Annotated Mild COc1cc2c3c(c1)O[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587427784 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587427785 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587427787 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587427789 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N(C)C)cc1O)[C@@H](C2)C3=O ZINC000587427838 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)C)cc1O)[C@@H](C2)C3=O ZINC000587427840 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](CO)(c1ccc(F)cc1F)[C@@H](C2)C3=O ZINC000587427869 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CO)(c1ccc(F)cc1F)[C@@H](C2)C3=O ZINC000587427871 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(C)ccc(F)c41)[C@@H](C2)C3=O ZINC000587427915 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(C)ccc(F)c41)[C@@H](C2)C3=O ZINC000587427917 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(=O)Oc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587428049 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(=O)Oc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587428051 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)(c1ccc(F)c(F)c1)[C@@H](C2)C3=O ZINC000587428216 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccc(F)c(F)c1)[C@@H](C2)C3=O ZINC000587428218 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1ccc4c(c1)OCO4)[C@@H](C2)C3=O ZINC000587428258 EF Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1ccc4c(c1)OCO4)[C@@H](C2)C3=O ZINC000587428262 EF Annotated Mild CCOC(=O)[C@H](CCC#N)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428279 EF Annotated Mild CCOC(=O)[C@H](CCC#N)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428281 EF Annotated Mild CCOC(=O)[C@@H](CCC#N)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428283 EF Annotated Mild CCOC(=O)[C@@H](CCC#N)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428284 EF Annotated Mild COc1cc2c3c(c1)O[C@H](CCNC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587428286 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCNC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587428288 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(C)cc(F)cc41)[C@@H](C2)C3=O ZINC000587428534 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(C(=O)N(C)C)c1)[C@@H](C2)C3=O ZINC000587428546 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(C(=O)N(C)C)c1)[C@@H](C2)C3=O ZINC000587428547 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(C)cc(F)cc41)[C@@H](C2)C3=O ZINC000587428668 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(NC(C)C)nc1)[C@@H](C2)C3=O ZINC000587428904 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(NC(C)C)nc1)[C@@H](C2)C3=O ZINC000587428905 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(F)ccc(C)c41)[C@@H](C2)C3=O ZINC000587428982 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(F)ccc(C)c41)[C@@H](C2)C3=O ZINC000587428983 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c1ccc(F)c4F)[C@@H](C2)C3=O ZINC000587429094 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c1ccc(F)c4F)[C@@H](C2)C3=O ZINC000587429097 EF Annotated Anodyne C=CC(=O)NC(C)(C)C[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429166 EF Annotated Anodyne C=CC(=O)NC(C)(C)C[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429167 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(F)ccc(F)c41)[C@@H](C2)C3=O ZINC000587429275 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(F)ccc(F)c41)[C@@H](C2)C3=O ZINC000587429278 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccc(F)cc1)(C(=O)O)[C@@H](C2)C3=O ZINC000587429518 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccc(F)cc1)(C(=O)O)[C@@H](C2)C3=O ZINC000587429519 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1cccc(F)c1)(C(=O)O)[C@@H](C2)C3=O ZINC000587429530 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1cccc(F)c1)(C(=O)O)[C@@H](C2)C3=O ZINC000587429531 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccncc1)[C@@H](C2)C3=O ZINC000587429573 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccncc1)[C@@H](C2)C3=O ZINC000587429574 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccncc1)(c1nccn1C)[C@@H](C2)C3=O ZINC000587429606 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccncc1)(c1nccn1C)[C@@H](C2)C3=O ZINC000587429607 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(F)c(F)cc41)[C@@H](C2)C3=O ZINC000587429618 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(F)c(F)cc41)[C@@H](C2)C3=O ZINC000587429619 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4c1ccc(O)c4F)[C@@H](C2)C3=O ZINC000587429624 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4c1ccc(O)c4F)[C@@H](C2)C3=O ZINC000587429625 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cccnc1)[C@@H](C2)C3=O ZINC000587429638 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cccnc1)[C@@H](C2)C3=O ZINC000587429639 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(-n4cncn4)cc1)[C@@H](C2)C3=O ZINC000587429926 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(-n4cncn4)cc1)[C@@H](C2)C3=O ZINC000587429932 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CO)(Cc1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587429980 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](CO)(Cc1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587429987 EF Annotated Anodyne COC(=O)[C@@H](C)n1cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430010 EF Annotated Anodyne COC(=O)[C@H](C)n1cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430011 EF Annotated Anodyne COC(=O)[C@H](C)n1cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430012 EF Annotated Anodyne COC(=O)[C@@H](C)n1cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430014 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1[nH]nc4ncc(F)cc14)[C@@H](C2)C3=O ZINC000587430155 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(O)c(CN(C)C)c1)[C@@H](C2)C3=O ZINC000587430157 EF Annotated Clean COc1cc2c3c(c1)O[C@H](c1[nH]nc4ncc(F)cc14)[C@@H](C2)C3=O ZINC000587430158 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(O)c(CN(C)C)c1)[C@@H](C2)C3=O ZINC000587430162 EF Annotated Clean COc1cc2c3c(c1)O[C@@](c1ccco1)(c1nccn1C)[C@@H](C2)C3=O ZINC000587430208 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccco1)(c1nccn1C)[C@@H](C2)C3=O ZINC000587430220 EF Annotated Anodyne CCn1cc([C@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 ZINC000587430457 EF Annotated Mild CCn1cc([C@@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 ZINC000587430458 EF Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)CCO)cc1)[C@@H](C2)C3=O ZINC000587430500 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N(C)CCO)cc1)[C@@H](C2)C3=O ZINC000587430501 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ncccn1)[C@@H](C2)C3=O ZINC000587430633 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1ncccn1)[C@@H](C2)C3=O ZINC000587430637 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc([N+](=O)[O-])ccc1N)[C@@H](C2)C3=O ZINC000587430669 EF Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1cc([N+](=O)[O-])ccc1N)[C@@H](C2)C3=O ZINC000587430670 EF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(O)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587430694 EF Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(O)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587430695 EF Annotated Clean COc1cc2c3c(c1)O[C@@](C)(c1ccncc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587430744 EF Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1ccncc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587430763 EF Annotated Bother COc1cc2c3c(c1)O[C@@H](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587430765 EF Annotated Bother COc1cc2c3c(c1)O[C@H](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587430767 EF Annotated Bother COc1cc2c3c(c1)O[C@H](c1cccc(-n4cncn4)c1)[C@@H](C2)C3=O ZINC000587430796 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(-n4cncn4)c1)[C@@H](C2)C3=O ZINC000587430797 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C)nc1-c1ccncc1)[C@@H](C2)C3=O ZINC000587430798 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C)nc1-c1ccncc1)[C@@H](C2)C3=O ZINC000587430800 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587430817 EF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(N)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587430818 EF Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1cccc4[nH]c(=N)oc14)[C@@H](C2)C3=O ZINC000587430827 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc4[nH]c(=N)oc14)[C@@H](C2)C3=O ZINC000587430833 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-n4cncn4)cc1)[C@@H](C2)C3=O ZINC000587430856 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-n4cncn4)cc1)[C@@H](C2)C3=O ZINC000587430858 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CNC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587430879 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CNC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587430882 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C#N)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587430914 EF Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(C#N)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587430943 EF Annotated Mild COc1cc2c3c(c1)O[C@@]1(Cc4cccc([N+](=O)[O-])c4C1)[C@@H](C2)C3=O ZINC000587430972 EF Annotated Bother COc1cc2c3c(c1)O[C@]1(Cc4cccc([N+](=O)[O-])c4C1)[C@@H](C2)C3=O ZINC000587430988 EF Annotated Bother C=CC[C@@]1(CNC(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431032 EF Annotated Mild C=CC[C@]1(CNC(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431033 EF Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(-n4ccnc4)nc1)[C@@H](C2)C3=O ZINC000587431045 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-n4ccnc4)nc1)[C@@H](C2)C3=O ZINC000587431047 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc4c(c1)c(C)nn4C)[C@@H](C2)C3=O ZINC000587431131 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc4c(c1)c(C)nn4C)[C@@H](C2)C3=O ZINC000587431132 EF Annotated Anodyne C=CCOc1c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)nn1C ZINC000587431175 EF Annotated Mild C=CCOc1c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)nn1C ZINC000587431181 EF Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccc(C#N)cc1)([C@@H](C)O)[C@@H](C2)C3=O ZINC000587431205 EF Annotated Mild COc1cc2c3c(c1)O[C@](c1ccc(C#N)cc1)([C@@H](C)O)[C@@H](C2)C3=O ZINC000587431208 EF Annotated Mild COc1cc2c3c(c1)O[C@](c1ccc(C#N)cc1)([C@H](C)O)[C@@H](C2)C3=O ZINC000587431210 EF Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccc(C#N)cc1)([C@H](C)O)[C@@H](C2)C3=O ZINC000587431212 EF Annotated Mild CCOC(=O)Cn1cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431244 EF Annotated Anodyne CCOC(=O)Cn1cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431249 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccncc4)c1)[C@@H](C2)C3=O ZINC000587431300 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccncc4)c1)[C@@H](C2)C3=O ZINC000587431303 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc4oc(=N)[nH]c14)[C@@H](C2)C3=O ZINC000587431357 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc4oc(=N)[nH]c14)[C@@H](C2)C3=O ZINC000587431360 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(OC)c1N)[C@@H](C2)C3=O ZINC000587431382 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(OC)c1N)[C@@H](C2)C3=O ZINC000587431387 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)n(NC(C)=O)c1C)[C@@H](C2)C3=O ZINC000587431423 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)n(NC(C)=O)c1C)[C@@H](C2)C3=O ZINC000587431425 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4oc(=N)[nH]c4c1)[C@@H](C2)C3=O ZINC000587431441 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4oc(=N)[nH]c4c1)[C@@H](C2)C3=O ZINC000587431443 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](COc1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587431446 EF Annotated Bother COc1cc2c3c(c1)O[C@@H](COc1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587431447 EF Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1ccc(N)c(OC)c1)[C@@H](C2)C3=O ZINC000587431451 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(N)c(OC)c1)[C@@H](C2)C3=O ZINC000587431456 EF Annotated Anodyne CCOc1ccc([C@@]2(CN)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587431539 EF Annotated Anodyne CCOc1ccc([C@]2(CN)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587431540 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC#N)(c1c(C)nn(C)c1C)[C@@H](C2)C3=O ZINC000587431663 EF Annotated Mild COc1cc2c3c(c1)O[C@](CC#N)(c1c(C)nn(C)c1C)[C@@H](C2)C3=O ZINC000587431667 EF Annotated Mild CCO[C@H](C)n1nccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431762 EF Annotated Anodyne CCO[C@@H](C)n1nccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431764 EF Annotated Anodyne CCO[C@@H](C)n1nccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431766 EF Annotated Anodyne CCO[C@H](C)n1nccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431768 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ncccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587431783 EF Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1ncccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587431784 EF Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1cccc(O)c1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587431785 EF Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1cccc(O)c1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587431786 EF Annotated Bother COc1cc2c3c(c1)OC1(CC(NC(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587431917 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccn1-c1cnccn1)[C@@H](C2)C3=O ZINC000587431963 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cnccn1)[C@@H](C2)C3=O ZINC000587431964 EF Annotated Anodyne COc1cc2c3c(c1)OC1(CCC(n4cnnc4)CC1)[C@@H](C2)C3=O ZINC000587431971 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=N)N)c1)[C@@H](C2)C3=O ZINC000587432005 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=N)N)c1)[C@@H](C2)C3=O ZINC000587432007 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnc4c(c1)ncn4C)[C@@H](C2)C3=O ZINC000587432101 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnc4c(c1)ncn4C)[C@@H](C2)C3=O ZINC000587432102 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H](C)C[C@@H]1n1cncn1)[C@@H](C2)C3=O ZINC000587432135 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H](C)C[C@H]1n1cncn1)[C@@H](C2)C3=O ZINC000587432136 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H](C)C[C@@H]1n1cncn1)[C@@H](C2)C3=O ZINC000587432137 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H](C)C[C@H]1n1cncn1)[C@@H](C2)C3=O ZINC000587432138 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1-n1cncn1)[C@@H](C2)C3=O ZINC000587432153 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1-n1cncn1)[C@@H](C2)C3=O ZINC000587432154 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1O)[C@@H](C2)C3=O ZINC000587432206 EF Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1O)[C@@H](C2)C3=O ZINC000587432208 EF Annotated Bother COc1cc2c3c(c1)O[C@H](c1cccn1[C@@H](C)C(=O)O)[C@@H](C2)C3=O ZINC000587432305 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1[C@@H](C)C(=O)O)[C@@H](C2)C3=O ZINC000587432314 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])cc1O)[C@@H](C2)C3=O ZINC000587432319 EF Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])cc1O)[C@@H](C2)C3=O ZINC000587432320 EF Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587432341 EF Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587432343 EF Annotated Bother COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1cccnc1)[C@@H](C2)C3=O ZINC000587432362 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccc1)(C[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587432364 EF Annotated Bother COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1cccnc1)[C@@H](C2)C3=O ZINC000587432365 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(C[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587432366 EF Annotated Bother COC(=O)c1ccc(N)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587432387 EF Annotated Anodyne COC(=O)c1ccc(N)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587432388 EF Annotated Anodyne COC(=O)c1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n(C)c1C ZINC000587432645 EF Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n(C)c1C ZINC000587432646 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccnc1)(c1nccn1C)[C@@H](C2)C3=O ZINC000587432659 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccnc1)(c1nccn1C)[C@@H](C2)C3=O ZINC000587432660 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])c(O)cc1O)[C@@H](C2)C3=O ZINC000587432684 EF Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])c(O)cc1O)[C@@H](C2)C3=O ZINC000587432685 EF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(O)ccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587432692 EF Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(O)ccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587432693 EF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cn(C)nc1-c1cccnc1)[C@@H](C2)C3=O ZINC000587432795 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C)nc1-c1cccnc1)[C@@H](C2)C3=O ZINC000587432799 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC(C)C)(c1ncnn1C)[C@@H](C2)C3=O ZINC000587432910 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](CC(C)C)(c1ncnn1C)[C@@H](C2)C3=O ZINC000587432911 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(OC)ccc(OC)c1N)[C@@H](C2)C3=O ZINC000587433029 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(OC)ccc(OC)c1N)[C@@H](C2)C3=O ZINC000587433030 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(Cc4ccc([N+](=O)[O-])cc4C1)[C@@H](C2)C3=O ZINC000587433086 EF Annotated Bother COc1cc2c3c(c1)O[C@]1(Cc4ccc([N+](=O)[O-])cc4C1)[C@@H](C2)C3=O ZINC000587433087 EF Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(C#N)ccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587433116 EF Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cc(C#N)ccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587433117 EF Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1ncc(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587433126 EF Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1ncc(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587433127 EF Annotated Bother CCO[C@@H](C)n1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587433147 EF Annotated Anodyne CCO[C@@H](C)n1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587433148 EF Annotated Anodyne CCO[C@H](C)n1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587433149 EF Annotated Anodyne CCO[C@H](C)n1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587433150 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccccn4)c1)[C@@H](C2)C3=O ZINC000587433167 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccccn4)c1)[C@@H](C2)C3=O ZINC000587433168 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccccc4)n1)[C@@H](C2)C3=O ZINC000587433242 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccccc4)n1)[C@@H](C2)C3=O ZINC000587433243 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(N)cc1OC)[C@@H](C2)C3=O ZINC000587433267 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(N)cc1OC)[C@@H](C2)C3=O ZINC000587433268 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1Cn1cncn1)[C@@H](C2)C3=O ZINC000587433379 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1Cn1cncn1)[C@@H](C2)C3=O ZINC000587433380 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1Cn1cncn1)[C@@H](C2)C3=O ZINC000587433381 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1Cn1cncn1)[C@@H](C2)C3=O ZINC000587433382 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(N)=O)cc1)[C@@H](C2)C3=O ZINC000587433675 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(N)=O)cc1)[C@@H](C2)C3=O ZINC000587433676 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC(=O)NCc1ccco1)[C@@H](C2)C3=O ZINC000587433701 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC(=O)NCc1ccco1)[C@@H](C2)C3=O ZINC000587433702 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc4c(cc1N)OCO4)[C@@H](C2)C3=O ZINC000587433753 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc4c(cc1N)OCO4)[C@@H](C2)C3=O ZINC000587433754 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H]1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587433808 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@H]1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587433809 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@@H]1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587433810 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587433811 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C[N+](=O)[O-])(c1ccccc1)[C@@H](C2)C3=O ZINC000587434042 EF Annotated Bother COc1cc2c3c(c1)O[C@@](C[N+](=O)[O-])(c1ccccc1)[C@@H](C2)C3=O ZINC000587434043 EF Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434118 EF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434119 EF Annotated Bother COc1cc2c3c(c1)O[C@@]1(CCc4ccc(OC)c(N)c41)[C@@H](C2)C3=O ZINC000587434258 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4ccc(OC)c(N)c41)[C@@H](C2)C3=O ZINC000587434261 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C=O)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434330 EF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(C=O)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434335 EF Annotated Bother COc1cc2c3c(c1)O[C@H](c1cccc([N+](=O)[O-])c1O)[C@@H](C2)C3=O ZINC000587434366 EF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cccc([N+](=O)[O-])c1O)[C@@H](C2)C3=O ZINC000587434369 EF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(O)c(O)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434386 EF Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(O)c(O)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434387 EF Annotated Clean COc1cc2c3c(c1)O[C@](C)(c1ccc(N)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434420 EF Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1ccc(N)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434421 EF Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])c(O)c1)[C@@H](C2)C3=O ZINC000587434504 EF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])c(O)c1)[C@@H](C2)C3=O ZINC000587434505 EF Annotated Bother COc1cc2c3c(c1)O[C@@](C)(CC(=O)N1CCCC[C@@H]1C)[C@@H](C2)C3=O ZINC000587434599 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC(=O)N1CCCC[C@@H]1C)[C@@H](C2)C3=O ZINC000587434600 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC(=O)N1CCCC[C@H]1C)[C@@H](C2)C3=O ZINC000587434601 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC(=O)N1CCCC[C@H]1C)[C@@H](C2)C3=O ZINC000587434602 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(O)cc([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434626 EF Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(O)cc([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434627 EF Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(C=O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434700 EF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(C=O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434701 EF Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1cc(N)ccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434718 EF Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1cc(N)ccc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587434719 EF Annotated Bother CCc1ccc2c(c1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)N2C ZINC000587434730 EF Annotated Anodyne CCc1ccc2c(c1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)N2C ZINC000587434731 EF Annotated Anodyne CCOC(=O)c1ncccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434765 EF Annotated Anodyne CCOC(=O)c1ncccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434810 EF Annotated Anodyne C=C1NC(C)=Cn2nc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc21 ZINC000587435302 EF Annotated Anodyne C=C1NC(C)=Cn2nc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc21 ZINC000587435304 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587435343 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587435345 EF Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(C(=O)C4CCC4)CC1)[C@@H](C2)C3=O ZINC000587435372 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCc1ccc(CC#N)cn1)[C@@H](C2)C3=O ZINC000587435409 EF Annotated Mild COc1cc2c3c(c1)O[C@@H](CCc1ccc(CC#N)cn1)[C@@H](C2)C3=O ZINC000587435410 EF Annotated Mild COc1cc2c3c(c1)O[C@@H](CCc1ccnc(OC)c1)[C@@H](C2)C3=O ZINC000587435413 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCc1ccnc(OC)c1)[C@@H](C2)C3=O ZINC000587435414 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(OC)n1)[C@@H](C2)C3=O ZINC000587435419 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(OC)n1)[C@@H](C2)C3=O ZINC000587435420 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)oc(=O)n4C)[C@@H](C2)C3=O ZINC000587435429 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)oc(=O)n4C)[C@@H](C2)C3=O ZINC000587435430 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cc1ncccc1C(=O)O)[C@@H](C2)C3=O ZINC000587435443 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cc1ncccc1C(=O)O)[C@@H](C2)C3=O ZINC000587435444 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(C#N)c(O)nc1C)[C@@H](C2)C3=O ZINC000587435477 EF Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1cc(C#N)c(O)nc1C)[C@@H](C2)C3=O ZINC000587435478 EF Annotated Mild COc1cc2c3c(c1)OC1(C[C@@H]4CC[C@H](C1)N4C1CC1)[C@@H](C2)C3=O ZINC000587435479 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OC)n1)[C@@H](C2)C3=O ZINC000587435480 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OC)n1)[C@@H](C2)C3=O ZINC000587435482 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](C(C)(C)N1C[C@@H](C)O[C@H](C)C1)[C@@H](C2)C3=O ZINC000587435560 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](C(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@@H](C2)C3=O ZINC000587435562 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](C(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@@H](C2)C3=O ZINC000587435563 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@@H](C2)C3=O ZINC000587435564 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc4ccc(C#N)cn14)[C@@H](C2)C3=O ZINC000587435884 EF Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cnc4ccc(C#N)cn14)[C@@H](C2)C3=O ZINC000587435886 EF Annotated Mild COc1cc2c3c(c1)O[C@]1(CCn4c(O)nc5cccc1c54)[C@@H](C2)C3=O ZINC000587435964 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCn4c(O)nc5cccc1c54)[C@@H](C2)C3=O ZINC000587435965 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(=O)N(C)c4ccccc41)[C@@H](C2)C3=O ZINC000587436021 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(=O)N(C)c4ccccc41)[C@@H](C2)C3=O ZINC000587436022 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(OC)cncc1OC)[C@@H](C2)C3=O ZINC000587436299 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(OC)cncc1OC)[C@@H](C2)C3=O ZINC000587436301 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cnc4ccnn4c1C)[C@@H](C2)C3=O ZINC000587436337 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cnc4ccnn4c1C)[C@@H](C2)C3=O ZINC000587436338 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(C)c4c(C)cccc41)[C@@H](C2)C3=O ZINC000587436429 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(C)c4c(C)cccc41)[C@@H](C2)C3=O ZINC000587436430 EF Annotated Anodyne CCOC(=O)c1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)on1 ZINC000587436523 EF Annotated Anodyne CCOC(=O)c1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)on1 ZINC000587436524 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)nc1OC)[C@@H](C2)C3=O ZINC000587436640 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)nc1OC)[C@@H](C2)C3=O ZINC000587436641 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587436672 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587436673 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1[nH]c(C)c(C(=O)O)c1C)[C@@H](C2)C3=O ZINC000587436738 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1[nH]c(C)c(C(=O)O)c1C)[C@@H](C2)C3=O ZINC000587436743 EF Annotated Anodyne CCOC(=O)c1[nH]ccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436758 EF Annotated Anodyne CCOC(=O)c1[nH]ccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436760 EF Annotated Anodyne CCOC(=O)c1[nH]c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C ZINC000587436881 EF Annotated Anodyne CCOC(=O)c1[nH]c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C ZINC000587436882 EF Annotated Anodyne CCOC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nc1 ZINC000587436904 EF Annotated Anodyne CCOC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nc1 ZINC000587436905 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(C)c4ccc(C)cc41)[C@@H](C2)C3=O ZINC000587436943 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(C)c4ccc(C)cc41)[C@@H](C2)C3=O ZINC000587436944 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4cc(C#N)cnc41)[C@@H](C2)C3=O ZINC000587437078 EF Annotated Mild COc1cc2c3c(c1)O[C@@]1(CCCc4cc(C#N)cnc41)[C@@H](C2)C3=O ZINC000587437082 EF Annotated Mild COc1cncc(CC[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587437085 EF Annotated Anodyne COc1cncc(CC[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587437086 EF Annotated Anodyne CCOC(=O)c1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587437203 EF Annotated Anodyne CCOC(=O)c1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587437204 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccn1)([C@@H]1CCCO1)[C@@H](C2)C3=O ZINC000587437219 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccn1)([C@H]1CCCO1)[C@@H](C2)C3=O ZINC000587437220 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccn1)([C@H]1CCCO1)[C@@H](C2)C3=O ZINC000587437221 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccn1)([C@@H]1CCCO1)[C@@H](C2)C3=O ZINC000587437222 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccccn1)[C@@H](C2)C3=O ZINC000587437232 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccccn1)[C@@H](C2)C3=O ZINC000587437233 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cc1cccc(OC)n1)[C@@H](C2)C3=O ZINC000587437234 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cc1cccc(OC)n1)[C@@H](C2)C3=O ZINC000587437235 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)nc1OC)[C@@H](C2)C3=O ZINC000587437246 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)nc1OC)[C@@H](C2)C3=O ZINC000587437247 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C(C)(C)O)nc1)[C@@H](C2)C3=O ZINC000587437268 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C(C)(C)O)nc1)[C@@H](C2)C3=O ZINC000587437269 EF Annotated Anodyne COC(=O)c1ccnc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587437270 EF Annotated Anodyne COC(=O)c1ccnc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587437271 EF Annotated Anodyne CCOC(=O)c1ccnc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587437287 EF Annotated Anodyne CCOC(=O)c1ccnc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587437289 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccnc1)(c1ccncn1)[C@@H](C2)C3=O ZINC000587437303 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccnc1)(c1ccncn1)[C@@H](C2)C3=O ZINC000587437309 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccncc1)[C@@H](C2)C3=O ZINC000587437333 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccncc1)[C@@H](C2)C3=O ZINC000587437334 EF Annotated Anodyne C=CCN1C(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587437406 EF Annotated Mild C=CCN1C(=O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587437407 EF Annotated Mild CCOC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[nH]1 ZINC000587437472 EF Annotated Anodyne CCOC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[nH]1 ZINC000587437474 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN4Cc5ccccc5N[C@H]41)[C@@H](C2)C3=O ZINC000587437486 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN4Cc5ccccc5N[C@@H]41)[C@@H](C2)C3=O ZINC000587437488 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN4Cc5ccccc5N[C@@H]41)[C@@H](C2)C3=O ZINC000587437489 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN4Cc5ccccc5N[C@H]41)[C@@H](C2)C3=O ZINC000587437490 EF Annotated Anodyne CCOC(=O)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c[nH]1 ZINC000587437509 EF Annotated Anodyne CCOC(=O)c1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c[nH]1 ZINC000587437511 EF Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(c4ccncc4)CC1)[C@@H](C2)C3=O ZINC000587437619 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1nc[nH]n1)[C@@H](C2)C3=O ZINC000587437840 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1nc[nH]n1)[C@@H](C2)C3=O ZINC000587437842 EF Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)N2 ZINC000587437873 EF Annotated Anodyne CCc1ccc2c(c1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)N2 ZINC000587437877 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(C)ccc(C)c41)[C@@H](C2)C3=O ZINC000587437914 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(C)ccc(C)c41)[C@@H](C2)C3=O ZINC000587437917 EF Annotated Anodyne CC[C@]1(c2c[nH]c(C(=O)O)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438002 EF Annotated Anodyne CC[C@@]1(c2c[nH]c(C(=O)O)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438003 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N4CCCc5cccc1c54)[C@@H](C2)C3=O ZINC000587438012 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N4CCCc5cccc1c54)[C@@H](C2)C3=O ZINC000587438013 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccn1)(c1ncc[nH]1)[C@@H](C2)C3=O ZINC000587438026 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccn1)(c1ncc[nH]1)[C@@H](C2)C3=O ZINC000587438027 EF Annotated Anodyne CCc1cccc2c1[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)N2 ZINC000587438067 EF Annotated Anodyne CCc1cccc2c1[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)N2 ZINC000587438069 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(-c4cccnc4)[nH]n1)[C@@H](C2)C3=O ZINC000587438142 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(-c4cccnc4)[nH]n1)[C@@H](C2)C3=O ZINC000587438147 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](C)Nc4ccccc41)[C@@H](C2)C3=O ZINC000587438150 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](C)Nc4ccccc41)[C@@H](C2)C3=O ZINC000587438152 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](C)Nc4ccccc41)[C@@H](C2)C3=O ZINC000587438155 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](C)Nc4ccccc41)[C@@H](C2)C3=O ZINC000587438156 EF Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(C(=O)C(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587438235 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1cccnc1)[C@@H](C2)C3=O ZINC000587438241 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1cccnc1)[C@@H](C2)C3=O ZINC000587438243 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nn1)[C@@H](C2)C3=O ZINC000587438280 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nn1)[C@@H](C2)C3=O ZINC000587438282 EF Annotated Anodyne CC[C@]1(c2c[nH]c(C(=O)OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438339 EF Annotated Anodyne CC[C@@]1(c2c[nH]c(C(=O)OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438340 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CO)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587438358 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](CO)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587438359 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1[nH]nnc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587438377 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1[nH]nnc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587438378 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587438391 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O ZINC000587438394 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(Cc4ccccc4)C1=O)[C@@H](C2)C3=O ZINC000587438435 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(Cc4ccccc4)C1=O)[C@@H](C2)C3=O ZINC000587438438 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccccc4)nn1)[C@@H](C2)C3=O ZINC000587438448 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccccc4)nn1)[C@@H](C2)C3=O ZINC000587438451 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccncc1)(c1ncc[nH]1)[C@@H](C2)C3=O ZINC000587438507 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccncc1)(c1ncc[nH]1)[C@@H](C2)C3=O ZINC000587438510 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC[C@@H]1c1nc(C)no1)[C@@H](C2)C3=O ZINC000587438627 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@H]1c1nc(C)no1)[C@@H](C2)C3=O ZINC000587438633 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1c1nc(C)no1)[C@@H](C2)C3=O ZINC000587438635 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC[C@H]1c1nc(C)no1)[C@@H](C2)C3=O ZINC000587438636 EF Annotated Anodyne COC(=O)c1[nH]cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587438697 EF Annotated Anodyne COC(=O)c1[nH]cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587438698 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccnc1)(c1ncc[nH]1)[C@@H](C2)C3=O ZINC000587438705 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccnc1)(c1ncc[nH]1)[C@@H](C2)C3=O ZINC000587438706 EF Annotated Anodyne CCc1cccc2c1NC(=O)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438866 EF Annotated Anodyne CCc1cccc2c1NC(=O)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438868 EF Annotated Anodyne CCOC(=O)c1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[nH]c1C ZINC000587438911 EF Annotated Anodyne CCOC(=O)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[nH]c1C ZINC000587438912 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)[C@H]1C)[C@@H](C2)C3=O ZINC000587438984 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)[C@@H]1C)[C@@H](C2)C3=O ZINC000587438985 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)[C@@H]1C)[C@@H](C2)C3=O ZINC000587438986 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)[C@H]1C)[C@@H](C2)C3=O ZINC000587438987 EF Annotated Anodyne CCc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439080 EF Annotated Anodyne CCc1ccc2c(c1)NC(=O)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439081 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C1CN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587439107 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](C1CN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587439108 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4ccccc4N[C@@H]1C)[C@@H](C2)C3=O ZINC000587439167 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccccc4N[C@@H]1C)[C@@H](C2)C3=O ZINC000587439169 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4ccccc4N[C@H]1C)[C@@H](C2)C3=O ZINC000587439170 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccccc4N[C@H]1C)[C@@H](C2)C3=O ZINC000587439172 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1[nH]c(C)c(CC(=O)O)c1C)[C@@H](C2)C3=O ZINC000587439294 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1[nH]c(C)c(CC(=O)O)c1C)[C@@H](C2)C3=O ZINC000587439296 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc[nH]1)[C@@H](C2)C3=O ZINC000587439340 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc[nH]1)[C@@H](C2)C3=O ZINC000587439343 EF Annotated Anodyne C=CC[C@@H](C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439345 EF Annotated Mild C=CC[C@@H](C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439348 EF Annotated Mild C=CC[C@H](C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439351 EF Annotated Mild C=CC[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439354 EF Annotated Mild CCC[C@]1(CC(=O)C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439371 EF Annotated Anodyne CCC[C@@]1(CC(=O)C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439377 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCCO)[C@@H](C2)C3=O ZINC000587439431 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OCCO)[C@@H](C2)C3=O ZINC000587439434 EF Annotated Anodyne COC(=O)c1c(C)[nH]c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587439558 EF Annotated Anodyne COC(=O)c1c(C)[nH]c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587439564 EF Annotated Anodyne COC(=O)c1[nH]c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C ZINC000587439618 EF Annotated Anodyne COC(=O)c1[nH]c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C ZINC000587439619 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccccc1-n1ccnn1)[C@@H](C2)C3=O ZINC000587439640 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccccc1-n1ccnn1)[C@@H](C2)C3=O ZINC000587439644 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(-c4ccccn4)[nH]n1)[C@@H](C2)C3=O ZINC000587439694 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccccn4)[nH]n1)[C@@H](C2)C3=O ZINC000587439695 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H]1CCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587439714 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H]1CCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587439716 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H]1CCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587439717 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H]1CCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587439719 EF Annotated Anodyne CCOC(=O)N1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1(C)C ZINC000587439807 EF Annotated Anodyne CCOC(=O)N1CC[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1(C)C ZINC000587439809 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4nc(O)[nH]c4c1)[C@@H](C2)C3=O ZINC000587439857 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4nc(O)[nH]c4c1)[C@@H](C2)C3=O ZINC000587439858 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cn1nnc4ccccc41)[C@@H](C2)C3=O ZINC000587439899 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cn1nnc4ccccc41)[C@@H](C2)C3=O ZINC000587439900 EF Annotated Anodyne CCOC(=O)C[C@]1(C2CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439980 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c1ccc(C)c4C)[C@@H](C2)C3=O ZINC000587439994 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c1ccc(C)c4C)[C@@H](C2)C3=O ZINC000587439997 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H]4NCCc5cccc1c54)[C@@H](C2)C3=O ZINC000587440013 EF Annotated Anodyne C=CCOC(=O)N1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440023 EF Annotated Mild COc1cc2c3c(c1)O[C@@]1(C[C@H]4NCCc5cccc1c54)[C@@H](C2)C3=O ZINC000587440028 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H]4NCCc5cccc1c54)[C@@H](C2)C3=O ZINC000587440031 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H]4NCCc5cccc1c54)[C@@H](C2)C3=O ZINC000587440032 EF Annotated Anodyne CCOC(=O)c1cc[nH]c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440075 EF Annotated Anodyne CCOC(=O)c1cc[nH]c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440076 EF Annotated Anodyne COc1cc2c3c(c1)OC1(CC(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587440119 EF Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440164 EF Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440166 EF Annotated Anodyne CCOC(=O)C[C@@]1(C2CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440231 EF Annotated Anodyne CCCC(=O)N1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440355 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCC(=O)O)c1)[C@@H](C2)C3=O ZINC000587440416 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OCC(=O)O)c1)[C@@H](C2)C3=O ZINC000587440430 EF Annotated Anodyne COC(=O)Cc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440551 EF Annotated Anodyne COC(=O)Cc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440591 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)cc(OC)c1O)[C@@H](C2)C3=O ZINC000587440687 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)cc(OC)c1O)[C@@H](C2)C3=O ZINC000587440696 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCOCC4)o1)[C@@H](C2)C3=O ZINC000587440763 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCOCC4)o1)[C@@H](C2)C3=O ZINC000587440773 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)OCC(=O)N4)[C@@H](C2)C3=O ZINC000587440799 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)OCC(=O)N4)[C@@H](C2)C3=O ZINC000587440802 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(C)cc(C)c41)[C@@H](C2)C3=O ZINC000587440812 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(C)cc(C)c41)[C@@H](C2)C3=O ZINC000587440816 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(O)cc1O)[C@@H](C2)C3=O ZINC000587440826 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(O)cc1O)[C@@H](C2)C3=O ZINC000587440831 EF Annotated Anodyne CCOC(=O)CC[C@]1(C2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440908 EF Annotated Anodyne CCOC(=O)CC[C@@]1(C2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440910 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(O)c(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587441033 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(O)c(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587441035 EF Annotated Anodyne COC(=O)C[C@H]1CCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441038 EF Annotated Anodyne COC(=O)C[C@@H]1CCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441041 EF Annotated Anodyne COC(=O)C[C@@H]1CCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441043 EF Annotated Anodyne COC(=O)C[C@H]1CCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441046 EF Annotated Anodyne CCOc1ccc([C@@]2(C=O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587441167 EF Annotated Mild CCOc1ccc([C@]2(C=O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587441202 EF Annotated Mild CCO/C=C(\C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441241 EF Annotated Anodyne CCO/C=C(\C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441249 EF Annotated Anodyne CCO/C=C(/C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441251 EF Annotated Anodyne CCO/C=C(/C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441253 EF Annotated Anodyne CCOC(=O)C1([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CCC1 ZINC000587441289 EF Annotated Anodyne CCOC(=O)C1([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CCC1 ZINC000587441290 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCNc4nc(OC)ccc41)[C@@H](C2)C3=O ZINC000587441347 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCNc4nc(OC)ccc41)[C@@H](C2)C3=O ZINC000587441359 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(N4CCCC4)nc1)[C@@H](C2)C3=O ZINC000587441490 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(N4CCCC4)nc1)[C@@H](C2)C3=O ZINC000587441492 EF Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O ZINC000587441567 EF Annotated Anodyne COC(=O)c1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O ZINC000587441569 EF Annotated Anodyne CCOC(=O)[C@@H]1CCC[C@]2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441633 EF Annotated Anodyne CCOC(=O)[C@H]1CCC[C@]2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441637 EF Annotated Anodyne CCOC(=O)[C@@H]1CCC[C@@]2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441641 EF Annotated Anodyne CCOC(=O)[C@H]1CCC[C@@]2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441645 EF Annotated Anodyne CCOC(=O)[C@@H]1CCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441664 EF Annotated Anodyne CCOC(=O)[C@@H]1CCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441666 EF Annotated Anodyne CCOC(=O)[C@H]1CCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441668 EF Annotated Anodyne CCOC(=O)[C@H]1CCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441671 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(C(=O)O)c1)[C@@H](C2)C3=O ZINC000587441692 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(C(=O)O)c1)[C@@H](C2)C3=O ZINC000587441696 EF Annotated Anodyne COc1cc(C(=O)O)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587441746 EF Annotated Anodyne COc1cc(C(=O)O)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587441748 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(=O)N[C@H](c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587441939 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(=O)N[C@@H](c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587441940 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(=O)N[C@@H](c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587441941 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(=O)N[C@H](c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587441942 EF Annotated Anodyne CC[C@@]1(C2(C(=O)OC)CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442209 EF Annotated Anodyne CC[C@]1(C2(C(=O)OC)CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442211 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)NC(=O)CO4)[C@@H](C2)C3=O ZINC000587442434 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)NC(=O)CO4)[C@@H](C2)C3=O ZINC000587442435 EF Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442531 EF Annotated Anodyne CCOC(=O)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442532 EF Annotated Anodyne COC(=O)[C@@H]1CCCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587442714 EF Annotated Anodyne COC(=O)[C@@H]1CCCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587442716 EF Annotated Anodyne COC(=O)[C@H]1CCCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587442718 EF Annotated Anodyne COC(=O)[C@H]1CCCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587442720 EF Annotated Anodyne COC(=O)CC1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587442831 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(C)cc(C)cc41)[C@@H](C2)C3=O ZINC000587442923 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(C)cc(C)cc41)[C@@H](C2)C3=O ZINC000587442925 EF Annotated Anodyne COCCOC[C@@]1(C(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443120 EF Annotated Anodyne COCCOC[C@]1(C(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443123 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC(=O)N1CCCCCC1)[C@@H](C2)C3=O ZINC000587443216 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC(=O)N1CCCCCC1)[C@@H](C2)C3=O ZINC000587443220 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(CO)c1)[C@@H](C2)C3=O ZINC000587443294 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(CO)c1)[C@@H](C2)C3=O ZINC000587443295 EF Annotated Anodyne COC(=O)Cc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443320 EF Annotated Anodyne COC(=O)Cc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443321 EF Annotated Anodyne COC(=O)C[C@@H]1CC[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H]1C ZINC000587443343 EF Annotated Anodyne COC(=O)C[C@@H]1CC[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H]1C ZINC000587443344 EF Annotated Anodyne COC(=O)C[C@@H]1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H]1C ZINC000587443345 EF Annotated Anodyne COC(=O)C[C@@H]1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H]1C ZINC000587443346 EF Annotated Anodyne CCOC(=O)C[C@@]1(CC2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443390 EF Annotated Anodyne CCOC(=O)C[C@]1(CC2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443391 EF Annotated Anodyne CCOC(=O)C[C@H]1CCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443485 EF Annotated Anodyne CCOC(=O)C[C@@H]1CCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443487 EF Annotated Anodyne CCOC(=O)C[C@@H]1CCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443492 EF Annotated Anodyne CCOC(=O)C[C@H]1CCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443495 EF Annotated Anodyne COc1ccc(OC[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587443658 EF Annotated Anodyne COc1ccc(OC[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587443662 EF Annotated Anodyne CCOC(=O)C1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443664 EF Annotated Anodyne COC(=O)[C@@H]1CCC[C@]2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443697 EF Annotated Anodyne COC(=O)[C@H]1CCC[C@]2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443701 EF Annotated Anodyne COC(=O)[C@@H]1CCC[C@@]2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443706 EF Annotated Anodyne COC(=O)[C@H]1CCC[C@@]2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443712 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(O)cc(OC)cc1OC)[C@@H](C2)C3=O ZINC000587443717 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(O)cc(OC)cc1OC)[C@@H](C2)C3=O ZINC000587443720 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OC)c1O)[C@@H](C2)C3=O ZINC000587443734 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OC)c1O)[C@@H](C2)C3=O ZINC000587443738 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C(=O)O)ccc1OC)[C@@H](C2)C3=O ZINC000587443796 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C(=O)O)ccc1OC)[C@@H](C2)C3=O ZINC000587443798 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(OC)cc(O)cc1OC)[C@@H](C2)C3=O ZINC000587443847 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(OC)cc(O)cc1OC)[C@@H](C2)C3=O ZINC000587443851 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587443915 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587443916 EF Annotated Anodyne COC(=O)C1CC2(C1)CC1(C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443924 EF Annotated Anodyne CCOC(=O)C[C@@]1(C2(C)CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443973 EF Annotated Anodyne CCOC(=O)C[C@]1(C2(C)CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443974 EF Annotated Anodyne CCOC(=O)[C@@H]1[C@H](C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443977 EF Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443978 EF Annotated Anodyne CCOC(=O)[C@@H]1[C@H](C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443979 EF Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443980 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)cc1O)[C@@H](C2)C3=O ZINC000587444162 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)cc1O)[C@@H](C2)C3=O ZINC000587444164 EF Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1(C)C ZINC000587444250 EF Annotated Anodyne CCOC(=O)[C@@H]1[C@H]([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1(C)C ZINC000587444254 EF Annotated Anodyne CCOC(=O)[C@@H]1[C@H]([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1(C)C ZINC000587444256 EF Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1(C)C ZINC000587444260 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587444264 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587444268 EF Annotated Anodyne COC(=O)[C@@H]1CC[C@@H]([C@H]2Oc3cc(OC)cc4c3C(=O)[C@@H]2C4)CC1 ZINC000587444696 EF Annotated Anodyne COC(=O)[C@@H]1CC[C@@H]([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@@H]2C4)CC1 ZINC000587444698 EF Annotated Anodyne COC(=O)C1C[C@@H]2CC[C@H](C1)C21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444726 EF Annotated Anodyne COc1cccc(OC[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587444737 EF Annotated Anodyne COc1cccc(OC[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587444739 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(O)c(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587445144 EF Annotated Clean COc1cc2c3c(c1)O[C@@H](c1cc(O)c(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587445147 EF Annotated Clean COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(CO)c1)[C@@H](C2)C3=O ZINC000587445151 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(CO)c1)[C@@H](C2)C3=O ZINC000587445154 EF Annotated Anodyne COC(=O)c1ccc(O)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587445162 EF Annotated Anodyne COC(=O)c1ccc(O)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587445164 EF Annotated Anodyne COC(=O)C1(C)CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587445435 EF Annotated Anodyne COC(=O)C[C@]1(C2CCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445476 EF Annotated Anodyne COC(=O)C[C@@]1(C2CCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445478 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCc1ccccc1)(C(=O)O)[C@@H](C2)C3=O ZINC000587446754 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](CCc1ccccc1)(C(=O)O)[C@@H](C2)C3=O ZINC000587446755 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(S(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587447552 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(S(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587447553 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc([S@@](C)=O)cc1)[C@@H](C2)C3=O ZINC000587448352 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc([S@](C)=O)cc1)[C@@H](C2)C3=O ZINC000587448359 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc([S@](C)=O)cc1)[C@@H](C2)C3=O ZINC000587448360 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc([S@@](C)=O)cc1)[C@@H](C2)C3=O ZINC000587448362 EF Annotated Anodyne COc1cc2c3c(c1)OC1([C@H]4CC[C@H]1CC(C(=O)O)C4)[C@@H](C2)C3=O ZINC000587448494 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CP(=O)(OC)OC)[C@@H](C2)C3=O ZINC000587448590 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CP(=O)(OC)OC)[C@@H](C2)C3=O ZINC000587448591 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H]4C[C@@H](C4(C)C)[C@]1(C)O)[C@@H](C2)C3=O ZINC000587448811 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H]4C[C@@H](C4(C)C)[C@@]1(C)O)[C@@H](C2)C3=O ZINC000587448812 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H]4C[C@@H](C4(C)C)[C@]1(C)O)[C@@H](C2)C3=O ZINC000587448813 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H]4C[C@H](C4(C)C)[C@@]1(C)O)[C@@H](C2)C3=O ZINC000587448814 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H]4C[C@H](C4(C)C)[C@@]1(C)O)[C@@H](C2)C3=O ZINC000587448815 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H]4C[C@@H](C4(C)C)[C@@]1(C)O)[C@@H](C2)C3=O ZINC000587448816 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H]4C[C@@H](C4(C)C)[C@]1(C)O)[C@@H](C2)C3=O ZINC000587448817 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H]4C[C@@H](C4(C)C)[C@]1(C)O)[C@@H](C2)C3=O ZINC000587448818 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4c(C(=O)O)cccc41)[C@@H](C2)C3=O ZINC000587448849 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4c(C(=O)O)cccc41)[C@@H](C2)C3=O ZINC000587448850 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C(=O)O)ccc1O)[C@@H](C2)C3=O ZINC000587448866 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C(=O)O)ccc1O)[C@@H](C2)C3=O ZINC000587448867 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](CC(=O)O)(c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587448868 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC(=O)O)(c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587448869 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C#CCO)s1)[C@@H](C2)C3=O ZINC000587448993 EF Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(C#CCO)s1)[C@@H](C2)C3=O ZINC000587448998 EF Annotated Mild CCOC(=O)c1csc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587449061 EF Annotated Anodyne CCOC(=O)c1csc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587449062 EF Annotated Anodyne COCCc1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587449164 EF Annotated Anodyne COCCc1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587449166 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C#CCCO)cc1)[C@@H](C2)C3=O ZINC000587449333 EF Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(C#CCCO)cc1)[C@@H](C2)C3=O ZINC000587449337 EF Annotated Mild COc1cc2c3c(c1)O[C@@H](c1cc(C=O)c(O)c(C)c1O)[C@@H](C2)C3=O ZINC000587449896 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C=O)c(O)c(C)c1O)[C@@H](C2)C3=O ZINC000587449897 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4cc(C(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587449911 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4cc(C(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587449912 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](C(=O)O)c4ccccc41)[C@@H](C2)C3=O ZINC000587449926 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](C(=O)O)c4ccccc41)[C@@H](C2)C3=O ZINC000587449929 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](C(=O)O)c4ccccc41)[C@@H](C2)C3=O ZINC000587449931 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](C(=O)O)c4ccccc41)[C@@H](C2)C3=O ZINC000587449932 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4ccc(C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587449995 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4ccc(C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587449997 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H]4C[C@@H](C(=O)O)C[C@@H]4C1)[C@@H](C2)C3=O ZINC000587450027 EF Annotated Anodyne COc1cc2c3c(c1)OC1(C[C@@H]4CC(C(=O)O)C[C@H]4C1)[C@@H](C2)C3=O ZINC000587450028 EF Annotated Anodyne COc1cc2c3c(c1)OC1(C[C@H]4CC(C(=O)O)C[C@@H]4C1)[C@@H](C2)C3=O ZINC000587450029 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H]4CC5(C[C@H]4C1)OCCO5)[C@@H](C2)C3=O ZINC000587450119 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H]4CC5(C[C@H]4C1)OCCO5)[C@@H](C2)C3=O ZINC000587450121 EF Annotated Anodyne CCOC(=O)[C@@]1(c2cccs2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450312 EF Annotated Anodyne CCOC(=O)[C@]1(c2cccs2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450314 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C=O)cc(C=O)c1O)[C@@H](C2)C3=O ZINC000587450470 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C=O)cc(C=O)c1O)[C@@H](C2)C3=O ZINC000587450471 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CSc1nncs1)[C@@H](C2)C3=O ZINC000587450586 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CSc1nncs1)[C@@H](C2)C3=O ZINC000587450593 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4sc(=N)[nH]c41)[C@@H](C2)C3=O ZINC000587450711 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587450749 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587450750 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4sc(=N)[nH]c41)[C@@H](C2)C3=O ZINC000587451046 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(CC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587451179 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(CC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587451180 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H]1C[C@H](C(=O)O)C1(C)C)[C@@H](C2)C3=O ZINC000587451209 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@H]1C[C@H](C(=O)O)C1(C)C)[C@@H](C2)C3=O ZINC000587451210 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C(=O)O)cc1O)[C@@H](C2)C3=O ZINC000587451214 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C(=O)O)cc1O)[C@@H](C2)C3=O ZINC000587451215 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ncc(CN(C)C)s1)[C@@H](C2)C3=O ZINC000587451367 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ncc(CN(C)C)s1)[C@@H](C2)C3=O ZINC000587451368 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1nc[nH]n1)(c1cccs1)[C@@H](C2)C3=O ZINC000587451454 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1nc[nH]n1)(c1cccs1)[C@@H](C2)C3=O ZINC000587451460 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4c(cc1OC)OCO4)[C@@H](C2)C3=O ZINC000587451524 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4c(cc1OC)OCO4)[C@@H](C2)C3=O ZINC000587451531 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C(N)=S)(c1ccccc1)[C@@H](C2)C3=O ZINC000587451651 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(N)=S)(c1ccccc1)[C@@H](C2)C3=O ZINC000587451652 EF Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(c4nccs4)CC1)[C@@H](C2)C3=O ZINC000587451700 EF Annotated Anodyne CCOC(=O)c1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587451894 EF Annotated Anodyne CCOC(=O)c1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587451896 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4c(cc1O)OCO4)[C@@H](C2)C3=O ZINC000587452090 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4c(cc1O)OCO4)[C@@H](C2)C3=O ZINC000587452092 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1cccs1)(C(=O)O)[C@@H](C2)C3=O ZINC000587452117 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1cccs1)(C(=O)O)[C@@H](C2)C3=O ZINC000587452125 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccnc(SC)n1)[C@@H](C2)C3=O ZINC000587452269 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccnc(SC)n1)[C@@H](C2)C3=O ZINC000587452274 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(=O)Oc4ccc(C)cc41)[C@@H](C2)C3=O ZINC000587452291 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(=O)Oc4ccc(C)cc41)[C@@H](C2)C3=O ZINC000587452294 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@H]4C[C@H]5C[C@@H]1C[C@@](O)(C5)C4)[C@@H](C2)C3=O ZINC000587452325 EF Annotated Anodyne COc1cc2c3c(c1)OC1([C@H]4CC5C[C@H]1CC(O)(C5)C4)[C@@H](C2)C3=O ZINC000587452326 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@H]4C[C@H]5C[C@@H]1C[C@@](O)(C5)C4)[C@@H](C2)C3=O ZINC000587452327 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(O)cc(O)c(C)c1O)[C@@H](C2)C3=O ZINC000587452373 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(O)cc(O)c(C)c1O)[C@@H](C2)C3=O ZINC000587452375 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1scnc1C(=O)O)[C@@H](C2)C3=O ZINC000587452389 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1scnc1C(=O)O)[C@@H](C2)C3=O ZINC000587452391 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(O)c(C(=O)O)c1)[C@@H](C2)C3=O ZINC000587452442 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(O)c(C(=O)O)c1)[C@@H](C2)C3=O ZINC000587452443 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4[nH]c(=N)sc41)[C@@H](C2)C3=O ZINC000587452511 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4[nH]c(=N)sc41)[C@@H](C2)C3=O ZINC000587452514 EF Annotated Anodyne C=C1Nn2c(nc(C)c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)S1 ZINC000587452526 EF Annotated Anodyne C=C1Nn2c(nc(C)c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)S1 ZINC000587452528 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(COc4ccc(C)cc4OC1)[C@@H](C2)C3=O ZINC000587452540 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(COc4ccc(C)cc4OC1)[C@@H](C2)C3=O ZINC000587452543 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ncc(C4OCCO4)s1)[C@@H](C2)C3=O ZINC000587452547 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ncc(C4OCCO4)s1)[C@@H](C2)C3=O ZINC000587452548 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ncc(C(=O)O)s1)[C@@H](C2)C3=O ZINC000587452609 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ncc(C(=O)O)s1)[C@@H](C2)C3=O ZINC000587452610 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@H]4CC=C[C@H]1C[C@H](C(=O)O)C4)[C@@H](C2)C3=O ZINC000587452857 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@H]4CC=C[C@H]1C[C@@H](C(=O)O)C4)[C@@H](C2)C3=O ZINC000587452860 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@H]4CC=C[C@H]1C[C@H](C(=O)O)C4)[C@@H](C2)C3=O ZINC000587452862 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@H]4CC=C[C@H]1C[C@@H](C(=O)O)C4)[C@@H](C2)C3=O ZINC000587452866 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(O)ccc4c1OCO4)[C@@H](C2)C3=O ZINC000587452906 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(O)ccc4c1OCO4)[C@@H](C2)C3=O ZINC000587452909 EF Annotated Anodyne CCO[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@]12CCCO2 ZINC000587452947 EF Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@]12CCCO2 ZINC000587452951 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C=O)c(O)c(C=O)c1)[C@@H](C2)C3=O ZINC000587453076 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C=O)c(O)c(C=O)c1)[C@@H](C2)C3=O ZINC000587453077 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(NC(C)=O)n1)[C@@H](C2)C3=O ZINC000587453147 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc(NC(C)=O)n1)[C@@H](C2)C3=O ZINC000587453148 EF Annotated Anodyne COC(=O)Cc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587453177 EF Annotated Anodyne COC(=O)Cc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587453178 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1csc(N(C)C(C)=O)n1)[C@@H](C2)C3=O ZINC000587453183 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1csc(N(C)C(C)=O)n1)[C@@H](C2)C3=O ZINC000587453184 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1nccs1)[C@@H](C2)C3=O ZINC000587453360 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1nccs1)[C@@H](C2)C3=O ZINC000587453364 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1nccs1)[C@@H](C2)C3=O ZINC000587453366 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1nccs1)[C@@H](C2)C3=O ZINC000587453367 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(=O)Oc4cc(C)ccc41)[C@@H](C2)C3=O ZINC000587453414 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(=O)Oc4cc(C)ccc41)[C@@H](C2)C3=O ZINC000587453418 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c4c(c1)OCO4)[C@@H](C2)C3=O ZINC000587453451 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c4c(c1)OCO4)[C@@H](C2)C3=O ZINC000587453455 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sc(N(C)C)nc1OC)[C@@H](C2)C3=O ZINC000587453781 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1sc(N(C)C)nc1OC)[C@@H](C2)C3=O ZINC000587453782 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(C4OCCO4)s1)[C@@H](C2)C3=O ZINC000587453852 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(C4OCCO4)s1)[C@@H](C2)C3=O ZINC000587453853 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(OC)nc4sccn14)[C@@H](C2)C3=O ZINC000587453969 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(OC)nc4sccn14)[C@@H](C2)C3=O ZINC000587453971 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC4(C[C@H]1C)OCCO4)[C@@H](C2)C3=O ZINC000587454115 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC4(C[C@@H]1C)OCCO4)[C@@H](C2)C3=O ZINC000587454116 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1sc4ncnn4c1C)[C@@H](C2)C3=O ZINC000587454143 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1sc4ncnn4c1C)[C@@H](C2)C3=O ZINC000587454145 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC4(C[C@@H]1C)OCCO4)[C@@H](C2)C3=O ZINC000587454202 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC4(C[C@H]1C)OCCO4)[C@@H](C2)C3=O ZINC000587454204 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C#CCO)cs1)[C@@H](C2)C3=O ZINC000587454209 EF Annotated Mild COc1cc2c3c(c1)O[C@H](c1cc(C#CCO)cs1)[C@@H](C2)C3=O ZINC000587454211 EF Annotated Mild COc1cc2c3c(c1)O[C@@H]([C@H]1COC4(CCCCC4)O1)[C@@H](C2)C3=O ZINC000587454317 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H]1COC4(CCCCC4)O1)[C@@H](C2)C3=O ZINC000587454320 EF Annotated Anodyne CCOC(=O)c1scnc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454373 EF Annotated Anodyne CCOC(=O)c1scnc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454375 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOC4(CCOCC4)C1)[C@@H](C2)C3=O ZINC000587454597 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOC4(CCOCC4)C1)[C@@H](C2)C3=O ZINC000587454602 EF Annotated Anodyne COCC[C@@]1(C2CCOCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454660 EF Annotated Anodyne COCC[C@]1(C2CCOCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454661 EF Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C12CCOCC2 ZINC000587454797 EF Annotated Anodyne CCO[C@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C12CCOCC2 ZINC000587454798 EF Annotated Anodyne CCO[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C12CCOCC2 ZINC000587454799 EF Annotated Anodyne CCO[C@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C12CCOCC2 ZINC000587454800 EF Annotated Anodyne COC(=O)c1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)oc1C ZINC000587454966 EF Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)oc1C ZINC000587454972 EF Annotated Anodyne CCOC(=O)C[C@@]1(c2ccco2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587455020 EF Annotated Anodyne CCOC(=O)C[C@]1(c2ccco2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587455023 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C4OCCO4)o1)[C@@H](C2)C3=O ZINC000587455117 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(C4OCCO4)o1)[C@@H](C2)C3=O ZINC000587455118 EF Annotated Anodyne COC(=O)c1coc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587455159 EF Annotated Anodyne COC(=O)c1coc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587455160 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(COC(C)=O)o1)[C@@H](C2)C3=O ZINC000587455279 EF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(COC(C)=O)o1)[C@@H](C2)C3=O ZINC000587455280 EF Annotated Anodyne CCOC(=O)C[C@]1(c2ccoc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587455536 EF Annotated Anodyne CCOC(=O)C[C@@]1(c2ccoc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587455538 EF Annotated Anodyne CCOC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)o1 ZINC000587455664 EF Annotated Anodyne CCOC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)o1 ZINC000587455665 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(COc4c(cccc4OC)C1)[C@@H](C2)C3=O ZINC000587455724 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(COc4c(cccc4OC)C1)[C@@H](C2)C3=O ZINC000587455725 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4occ(C(=O)O)c41)[C@@H](C2)C3=O ZINC000587456198 EF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4occ(C(=O)O)c41)[C@@H](C2)C3=O ZINC000587456199 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(C(=O)O)CC2=O ZINC000587456574 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(C(=O)O)CC2=O ZINC000587456575 EF Annotated Reactive CCOC(=O)c1coc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587456919 EF Annotated Anodyne CCOC(=O)c1coc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587456923 EF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccco1)[C@@H](C2)C3=O ZINC000587457156 EF Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccco1)[C@@H](C2)C3=O ZINC000587457157 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(CC(=O)OC)CC2=O ZINC000587457731 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(CC(=O)OC)CC2=O ZINC000587457732 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cl)C(=O)OC)CC2=O ZINC000587458229 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cl)C(=O)OC)CC2=O ZINC000587458230 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cl)C(=O)OC)CC2=O ZINC000587458231 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)([C@H](Cl)C(=O)OC)CC2=O ZINC000587458232 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@H]([C@H](Cl)C(=O)OCC)CC2=O ZINC000587458243 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@@H]([C@H](Cl)C(=O)OCC)CC2=O ZINC000587458244 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@H]([C@@H](Cl)C(=O)OCC)CC2=O ZINC000587458245 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@@H]([C@@H](Cl)C(=O)OCC)CC2=O ZINC000587458246 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(COC(C)=O)CC2=O ZINC000587458249 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(COC(C)=O)CC2=O ZINC000587458250 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cnn(C)n1)CC2=O ZINC000587458297 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cnn(C)n1)CC2=O ZINC000587458299 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(CNC(=O)[C@@H](C)Cl)CC2=O ZINC000587458457 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(CNC(=O)[C@H](C)Cl)CC2=O ZINC000587458462 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(CNC(=O)[C@H](C)Cl)CC2=O ZINC000587458464 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(CNC(=O)[C@@H](C)Cl)CC2=O ZINC000587458465 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)nc[nH]c1=N)CC2=O ZINC000587458689 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)nc[nH]c1=N)CC2=O ZINC000587458694 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1cnnn1C)CC2=O ZINC000587458810 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cnnn1C)CC2=O ZINC000587458811 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cnc(Cl)[nH]c1=NC)CC2=O ZINC000587459025 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(Cl)[nH]c1=NC)CC2=O ZINC000587459032 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cl)C(=O)N(C)C)CC2=O ZINC000587459257 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cl)C(=O)N(C)C)CC2=O ZINC000587459261 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cl)C(=O)N(C)C)CC2=O ZINC000587459262 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)([C@H](Cl)C(=O)N(C)C)CC2=O ZINC000587459263 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)([C@@]1(Cl)CCOC1=O)CC2=O ZINC000587460219 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@]1(Cl)CCOC1=O)CC2=O ZINC000587460223 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@]1(Cl)CCOC1=O)CC2=O ZINC000587460226 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@]1(Cl)CCOC1=O)CC2=O ZINC000587460228 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(CCl)OCC1=O)CC2=O ZINC000587461865 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(C=C(CCl)OCC1=O)CC2=O ZINC000587461870 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@](CC)(CNC(=O)CCl)CC2=O ZINC000587462302 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CC)(CNC(=O)CCl)CC2=O ZINC000587462303 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cnc(O)[nH]1)CC2=O ZINC000587462396 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cnc(O)[nH]1)CC2=O ZINC000587462398 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(COC(CCl)=CC1=O)CC2=O ZINC000587462494 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(COC(CCl)=CC1=O)CC2=O ZINC000587462498 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(C(O)O)CC2=O ZINC000587465518 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(C(O)O)CC2=O ZINC000587465523 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(C(=O)OCC)CC2=O ZINC000587467096 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(C(=O)OCC)CC2=O ZINC000587467097 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](/C(=C\N(C)C)C(=O)OCC)CC2=O ZINC000587467167 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](/C(=C/N(C)C)C(=O)OCC)CC2=O ZINC000587467168 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](/C(=C/N(C)C)C(=O)OCC)CC2=O ZINC000587467169 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](/C(=C\N(C)C)C(=O)OCC)CC2=O ZINC000587467170 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC(=O)/C1=C\N(C)C)CC2=O ZINC000587467500 EF Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCC(=O)/C1=C/N(C)C)CC2=O ZINC000587467505 EF Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CCC(=O)/C1=C/N(C)C)CC2=O ZINC000587467507 EF Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CCC(=O)/C1=C\N(C)C)CC2=O ZINC000587467509 EF Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC)([C@@H](N=O)C(=O)OC)CC2=O ZINC000587467625 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)([C@H](N=O)C(=O)OC)CC2=O ZINC000587467626 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)([C@@H](N=O)C(=O)OC)CC2=O ZINC000587467629 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)([C@H](N=O)C(=O)OC)CC2=O ZINC000587467631 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(/C(=C/N(C)C)C(=O)OC)CC2=O ZINC000587467669 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(/C(=C\N(C)C)C(=O)OC)CC2=O ZINC000587467671 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(/C(=C\N(C)C)C(=O)OC)CC2=O ZINC000587467673 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(/C(=C/N(C)C)C(=O)OC)CC2=O ZINC000587467676 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(C(OC)OC)CC2=O ZINC000587467732 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(C(OC)OC)CC2=O ZINC000587467735 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(C(OC)OC)CC2=O ZINC000587467736 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(C(OC)OC)CC2=O ZINC000587467740 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(=N)[nH]cc31)CC2=O ZINC000587468782 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(=N)[nH]cc31)CC2=O ZINC000587468787 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c(=N)nc1C)CC2=O ZINC000587468798 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c(=N)nc1C)CC2=O ZINC000587468799 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1CNC=O)CC2=O ZINC000587469106 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1CNC=O)CC2=O ZINC000587469107 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1CNC=O)CC2=O ZINC000587469108 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1CNC=O)CC2=O ZINC000587469109 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])nn1C)CC2=O ZINC000587469316 EF Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])nn1C)CC2=O ZINC000587469318 EF Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)([C@@H](N=O)C(=O)OCC)CC2=O ZINC000587469626 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](N=O)C(=O)OCC)CC2=O ZINC000587469628 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](N=O)C(=O)OCC)CC2=O ZINC000587469630 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](N=O)C(=O)OCC)CC2=O ZINC000587469631 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nccn1CCOC)CC2=O ZINC000587469817 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nccn1CCOC)CC2=O ZINC000587469818 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(N)=O)n(C)c1)CC2=O ZINC000587469841 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(N)=O)n(C)c1)CC2=O ZINC000587469842 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1CC(=O)O)CC2=O ZINC000587470171 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1CC(=O)O)CC2=O ZINC000587470173 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CNC(=O)C1CCCC1)CC2=O ZINC000587470420 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CNC(=O)C1CCCC1)CC2=O ZINC000587470421 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccnc(N(C)C)n1)CC2=O ZINC000587470626 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccnc(N(C)C)n1)CC2=O ZINC000587470627 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])n(C)n1)CC2=O ZINC000587470895 EF Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])n(C)n1)CC2=O ZINC000587470897 EF Annotated Bother CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CC[C@H]1CC(C(N)=O)C2 ZINC000587471069 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc([N+](=O)[O-])nn1C)CC2=O ZINC000587471159 EF Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1cc([N+](=O)[O-])nn1C)CC2=O ZINC000587471160 EF Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1nn(C)cc1[N+](=O)[O-])CC2=O ZINC000587471466 EF Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1nn(C)cc1[N+](=O)[O-])CC2=O ZINC000587471467 EF Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(Cn1ccc([N+](=O)[O-])n1)CC2=O ZINC000587471797 EF Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(Cn1ccc([N+](=O)[O-])n1)CC2=O ZINC000587471798 EF Annotated Bother CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1cccn1C)CC2=O ZINC000587472102 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1cccn1C)CC2=O ZINC000587472103 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC#N)(c1nccn1C)CC2=O ZINC000587472133 EF Annotated Mild CCCc1c(O)ccc2c1O[C@](CC#N)(c1nccn1C)CC2=O ZINC000587472140 EF Annotated Mild CCCc1c(O)ccc2c1O[C@H](CCCNC(=O)C1CC1)CC2=O ZINC000587472150 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCCNC(=O)C1CC1)CC2=O ZINC000587472151 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cn1cc([N+](=O)[O-])cn1)CC2=O ZINC000587472247 EF Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(Cn1cc([N+](=O)[O-])cn1)CC2=O ZINC000587472248 EF Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1c([N+](=O)[O-])cnn1C)CC2=O ZINC000587472887 EF Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1c([N+](=O)[O-])cnn1C)CC2=O ZINC000587472889 EF Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(CCN1CCOCC1)CC2=O ZINC000587473661 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCN1CCOCC1)CC2=O ZINC000587473672 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ncnn1C)(C(C)C)CC2=O ZINC000587474039 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ncnn1C)(C(C)C)CC2=O ZINC000587474040 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CCO)nc1C)CC2=O ZINC000587474074 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CCO)nc1C)CC2=O ZINC000587474075 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C(C)(C)N1CCOCC1)CC2=O ZINC000587474351 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C(C)(C)N1CCOCC1)CC2=O ZINC000587474441 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(CCO)c1C)CC2=O ZINC000587474477 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(CCO)c1C)CC2=O ZINC000587474486 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCN1CCN(C)CC1)CC2=O ZINC000587474824 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCN1CCN(C)CC1)CC2=O ZINC000587474826 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C3CC3)C(=O)C1)CC2=O ZINC000587474880 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C3CC3)C(=O)C1)CC2=O ZINC000587474884 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cn1cncn1)(C1CC1)CC2=O ZINC000587474885 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cn1cncn1)(C1CC1)CC2=O ZINC000587474886 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cn1cncn1)(C(C)C)CC2=O ZINC000587475167 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cn1cncn1)(C(C)C)CC2=O ZINC000587475169 EF Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C(OC)=CC(=O)C=C1OC ZINC000587475575 EF Annotated Mild CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1cnn(CC)c1)CC2=O ZINC000587475705 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1cnn(CC)c1)CC2=O ZINC000587475707 EF Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(CCOC)CC1)CC2=O ZINC000587476031 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(CCOC)c1)CC2=O ZINC000587476193 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(CCOC)c1)CC2=O ZINC000587476195 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COC)(c1ccnn1C)CC2=O ZINC000587476450 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COC)(c1ccnn1C)CC2=O ZINC000587476453 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(/C=C/N1CCOCC1)CC2=O ZINC000587476527 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(/C=C/N1CCOCC1)CC2=O ZINC000587476529 EF Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(C(=O)OC)CC1)CC2=O ZINC000587476543 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccco1)(C(=O)O)CC2=O ZINC000587477299 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccco1)(C(=O)O)CC2=O ZINC000587477300 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)OCCOC)CC2=O ZINC000587477564 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)OCCOC)CC2=O ZINC000587477572 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCC)C1)CC2=O ZINC000587478320 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCC)C1)CC2=O ZINC000587478324 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccc(O)cc1)CC2=O ZINC000587478413 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccc(O)cc1)CC2=O ZINC000587478435 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(C(O)O)CC2=O ZINC000587478612 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(C(O)O)CC2=O ZINC000587478637 EF Annotated Anodyne CCCc1c(O)ccc2c1OC1(C=C(OC)C(=O)C(OC)=C1)CC2=O ZINC000587478987 EF Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1C(=O)C(=O)OC)CC2=O ZINC000587479253 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1C(=O)C(=O)OC)CC2=O ZINC000587479254 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1C(=O)C(=O)OC)CC2=O ZINC000587479255 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1C(=O)C(=O)OC)CC2=O ZINC000587479257 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C(\C)OC)(C(=O)OC)CC2=O ZINC000587480273 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C(\C)OC)(C(=O)OC)CC2=O ZINC000587480274 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCOC)(CC(=O)OC)CC2=O ZINC000587480381 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCOC)(CC(=O)OC)CC2=O ZINC000587480382 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COC)(CC(=O)OCC)CC2=O ZINC000587480476 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COC)(CC(=O)OCC)CC2=O ZINC000587480478 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3nnnn3c1)CC2=O ZINC000587480614 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc3nnnn3c1)CC2=O ZINC000587480617 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(OC)C[C@@H]1C(=O)OC)CC2=O ZINC000587480952 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(OC)C[C@H]1C(=O)OC)CC2=O ZINC000587480954 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(OC)C[C@@H]1C(=O)OC)CC2=O ZINC000587480958 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(OC)C[C@H]1C(=O)OC)CC2=O ZINC000587480961 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)O)OC=C1OC)CC2=O ZINC000587481147 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)O)OC=C1OC)CC2=O ZINC000587481151 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1S(C)(=O)=O)CC2=O ZINC000587481332 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1S(C)(=O)=O)CC2=O ZINC000587481334 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(C1CC1)CC2=O ZINC000587481677 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(C1CC1)CC2=O ZINC000587481678 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OCC)n[nH]1)CC2=O ZINC000587481835 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OCC)n[nH]1)CC2=O ZINC000587481836 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)O)OC1(C)C)CC2=O ZINC000587481939 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)O)OC1(C)C)CC2=O ZINC000587481940 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ncnn1C)(C1CC1)CC2=O ZINC000587482142 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ncnn1C)(C1CC1)CC2=O ZINC000587482144 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)C(OCC)=C1OCC ZINC000587482440 EF Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)C(OCC)=C1OCC ZINC000587482448 EF Annotated Mild CCCc1c(O)ccc2c1O[C@](CC)(CC(=O)C(=O)OCC)CC2=O ZINC000587482477 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(CC(=O)C(=O)OCC)CC2=O ZINC000587482480 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CS(=O)(=O)CC)CC2=O ZINC000587482669 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CS(=O)(=O)CC)CC2=O ZINC000587482694 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(C(C)C)CC2=O ZINC000587483410 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(C(C)C)CC2=O ZINC000587483415 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)C(=O)OCC)CC2=O ZINC000587483447 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)C(=O)OCC)CC2=O ZINC000587483451 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CS(C)(=O)=O)(C1CC1)CC2=O ZINC000587483858 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CS(C)(=O)=O)(C1CC1)CC2=O ZINC000587483859 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COCC)(CC(=O)OC)CC2=O ZINC000587484120 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COCC)(CC(=O)OC)CC2=O ZINC000587484122 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(OC)C(=O)C=C1OC)CC2=O ZINC000587484130 EF Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(C=C(OC)C(=O)C=C1OC)CC2=O ZINC000587484131 EF Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)O)no1)CC2=O ZINC000587485194 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)O)no1)CC2=O ZINC000587485201 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CNC(=O)C[C@@H]2C1 ZINC000587485593 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CNC(=O)C[C@H]2C1 ZINC000587485595 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC(=O)NC[C@@H]2C1 ZINC000587485597 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CNC(=O)C[C@H]2C1 ZINC000587485599 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOC[C@]1(C)C(=O)OC)CC2=O ZINC000587485744 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOC[C@@]1(C)C(=O)OC)CC2=O ZINC000587485745 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOC[C@@]1(C)C(=O)OC)CC2=O ZINC000587485747 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOC[C@]1(C)C(=O)OC)CC2=O ZINC000587485750 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOC[C@@H]1C(=O)OCC)CC2=O ZINC000587485832 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCOC[C@H]1C(=O)OCC)CC2=O ZINC000587485834 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOC[C@@H]1C(=O)OCC)CC2=O ZINC000587485836 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCOC[C@H]1C(=O)OCC)CC2=O ZINC000587485839 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(COCC[C@@H]1C(=O)OCC)CC2=O ZINC000587485840 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(COCC[C@H]1C(=O)OCC)CC2=O ZINC000587485842 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(COCC[C@@H]1C(=O)OCC)CC2=O ZINC000587485844 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(COCC[C@H]1C(=O)OCC)CC2=O ZINC000587485847 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc[nH]c1C(=O)OCC)CC2=O ZINC000587486138 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc[nH]c1C(=O)OCC)CC2=O ZINC000587486142 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1n[nH]cc1C(=O)OCC)CC2=O ZINC000587486630 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1n[nH]cc1C(=O)OCC)CC2=O ZINC000587486632 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1C(=O)OC)CC2=O ZINC000587486725 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1C(=O)OC)CC2=O ZINC000587486735 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1C(=O)OCC)CC2=O ZINC000587487320 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1C(=O)OCC)CC2=O ZINC000587487324 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)O)[nH]n1)CC2=O ZINC000587487419 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)O)[nH]n1)CC2=O ZINC000587487428 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nc(O)nc1O)CC2=O ZINC000587487453 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nc(O)nc1O)CC2=O ZINC000587487466 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc3c(C#N)cnn3c1)CC2=O ZINC000587487891 EF Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cnc3c(C#N)cnn3c1)CC2=O ZINC000587487892 EF Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cnc(OC)nc1OC)CC2=O ZINC000587488088 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(OC)nc1OC)CC2=O ZINC000587488090 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(O)ccc21 ZINC000587488445 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(O)ccc21 ZINC000587488447 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2[C@H]3C[C@@H]1[C@H](C(=O)O)[C@H]32 ZINC000587488476 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2[C@H]3C[C@@H]1[C@H](C(=O)O)[C@H]32 ZINC000587488477 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(OC)ncnc1OC)CC2=O ZINC000587488792 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OC)ncnc1OC)CC2=O ZINC000587488793 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1cccnc1)CC2=O ZINC000587488824 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1cccnc1)CC2=O ZINC000587488826 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnc(C(=O)O)cn1)CC2=O ZINC000587488862 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnc(C(=O)O)cn1)CC2=O ZINC000587488871 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2C=C[C@H]1C[C@H]2C(=O)O ZINC000587489393 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2C=C[C@H]1C[C@H]2C(=O)O ZINC000587489394 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2C=C[C@H]1C[C@@H]2C(=O)O ZINC000587489396 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2C=C[C@H]1C[C@@H]2C(=O)O ZINC000587489398 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2COC[C@@H](C1)N2C ZINC000587489895 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2COC[C@@H](C1)N2C ZINC000587489896 EF Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C[C@H]2COC[C@@H](C1)N2C ZINC000587489897 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1S(C)(=O)=O)CC2=O ZINC000587490230 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1S(C)(=O)=O)CC2=O ZINC000587490234 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1S(C)(=O)=O)CC2=O ZINC000587490237 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1S(C)(=O)=O)CC2=O ZINC000587490240 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(COC)nc1)CC2=O ZINC000587491483 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(COC)nc1)CC2=O ZINC000587491484 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(C(=O)OC)cn1)CC2=O ZINC000587491521 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(C(=O)OC)cn1)CC2=O ZINC000587491522 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(OC)cc(OC)n1)CC2=O ZINC000587491525 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(OC)cc(OC)n1)CC2=O ZINC000587491526 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1C[C@H](OC)O[C@H]1OC)CC2=O ZINC000587491687 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1C[C@H](OC)O[C@@H]1OC)CC2=O ZINC000587491689 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1C[C@@H](OC)O[C@@H]1OC)CC2=O ZINC000587491690 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1C[C@@H](OC)O[C@H]1OC)CC2=O ZINC000587491691 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccs1)(C(O)O)CC2=O ZINC000587493441 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccs1)(C(O)O)CC2=O ZINC000587493442 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](C(=O)OCC)OC1)CC2=O ZINC000587493719 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](C(=O)OCC)OC1)CC2=O ZINC000587493721 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)OCC)OC1)CC2=O ZINC000587493724 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)OCC)OC1)CC2=O ZINC000587493727 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CSC[C@@H]1C(=O)OC)CC2=O ZINC000587494178 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CSC[C@H]1C(=O)OC)CC2=O ZINC000587494184 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CSC[C@@H]1C(=O)OC)CC2=O ZINC000587494187 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CSC[C@H]1C(=O)OC)CC2=O ZINC000587494189 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cc1nc(=NC)s[nH]1)CC2=O ZINC000587494679 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cc1nc(=NC)s[nH]1)CC2=O ZINC000587494697 EF Annotated Anodyne CN(C)C(=O)[C@@H](Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587494782 EF Annotated Reactive CN(C)C(=O)[C@H](Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587494788 EF Annotated Reactive CN(C)C(=O)[C@@H](Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587494789 EF Annotated Reactive CN(C)C(=O)[C@H](Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587494793 EF Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cnc(SC)[nH]c1=N)CC2=O ZINC000587494865 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(SC)[nH]c1=N)CC2=O ZINC000587494869 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(O)nc(S)n1)CC2=O ZINC000587494880 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(O)nc(S)n1)CC2=O ZINC000587494882 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCS[C@H]1C(=O)OC)CC2=O ZINC000587494929 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCS[C@@H]1C(=O)OC)CC2=O ZINC000587494946 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCS[C@H]1C(=O)OC)CC2=O ZINC000587494948 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCS[C@@H]1C(=O)OC)CC2=O ZINC000587494950 EF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CS)(CC(=O)OCC)CC2=O ZINC000587495043 EF Annotated Mild CCCc1c(O)ccc2c1O[C@@](CS)(CC(=O)OCC)CC2=O ZINC000587495068 EF Annotated Mild O=C1C[C@]2(COC(CCl)=CC2=O)Oc2c1ccc1c2CCCC1 ZINC000587496453 EF Annotated Reactive O=C1C[C@@]2(COC(CCl)=CC2=O)Oc2c1ccc1c2CCCC1 ZINC000587496458 EF Annotated Reactive Cn1ncc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587497156 EF Annotated Reactive Cn1ncc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587497158 EF Annotated Reactive O=C1C[C@@]2(C=C(CCl)OCC2=O)Oc2c1ccc1c2CCCC1 ZINC000587497698 EF Annotated Reactive O=C1C[C@]2(C=C(CCl)OCC2=O)Oc2c1ccc1c2CCCC1 ZINC000587497699 EF Annotated Reactive Cn1nncc1[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499460 EF Annotated Reactive Cn1nncc1[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499462 EF Annotated Reactive CC[C@@]1([C@H](N=O)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501910 EF Annotated Anodyne CC[C@]1([C@@H](N=O)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501912 EF Annotated Anodyne CC[C@]1([C@H](N=O)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501914 EF Annotated Anodyne CC[C@@]1([C@@H](N=O)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501916 EF Annotated Anodyne O=C1C[C@](CBr)(C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587502027 EF Annotated Reactive O=C1C[C@@](CBr)(C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587502041 EF Annotated Reactive O=C1CC2(CN(C(=O)C(F)(F)F)C2)Oc2c1ccc1c2CCCC1 ZINC000587502358 EF Annotated Anodyne CCN1N=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](Cl)C1=O ZINC000587503165 EF Annotated Reactive CCN1N=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](Cl)C1=O ZINC000587503168 EF Annotated Reactive CCN1N=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](Cl)C1=O ZINC000587503169 EF Annotated Reactive CCN1N=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](Cl)C1=O ZINC000587503172 EF Annotated Reactive O=C1C[C@](c2ccc(F)cc2)(C(O)O)Oc2c1ccc1c2CCCC1 ZINC000587503948 EF Annotated Anodyne O=C1C[C@@](c2ccc(F)cc2)(C(O)O)Oc2c1ccc1c2CCCC1 ZINC000587503950 EF Annotated Anodyne CC(=O)N(C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(C)=O ZINC000587506308 EF Annotated Anodyne CC(=O)N(C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(C)=O ZINC000587506311 EF Annotated Anodyne CCOC(=O)[C@@H](N=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507789 EF Annotated Anodyne CCOC(=O)[C@H](N=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507790 EF Annotated Anodyne CCOC(=O)[C@@H](N=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507792 EF Annotated Anodyne CCOC(=O)[C@H](N=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507793 EF Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509646 EF Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509652 EF Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509654 EF Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509655 EF Annotated Anodyne N=c1nc2c(c[nH]1)[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510574 EF Annotated Anodyne N=c1nc2c(c[nH]1)[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510579 EF Annotated Anodyne Cn1nc([N+](=O)[O-])cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510580 EF Annotated Bother Cn1nc([N+](=O)[O-])cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510587 EF Annotated Bother Cn1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(N)=O ZINC000587511033 EF Annotated Anodyne Cn1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(N)=O ZINC000587511040 EF Annotated Anodyne COC(OC)[C@]1(/C=C\N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511786 EF Annotated Anodyne COC(OC)[C@]1(/C=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511787 EF Annotated Anodyne COC(OC)[C@@]1(/C=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511788 EF Annotated Anodyne COc1ncnc(N)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512093 EF Annotated Anodyne COc1ncnc(N)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512095 EF Annotated Anodyne C[C@@]1(CC(=O)N2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512552 EF Annotated Anodyne C[C@]1(CC(=O)N2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512553 EF Annotated Anodyne CCOC(=O)C(=[N+]=[N-])[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512565 EF Annotated Clean CCOC(=O)C(=[N+]=[N-])[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512566 EF Annotated Clean COC(OC)[C@@]1(/C=C\N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512630 EF Annotated Anodyne COC(=O)/C(=C\N(C)C)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512647 EF Annotated Anodyne COC(=O)/C(=C/N(C)C)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512649 EF Annotated Anodyne COC(=O)/C(=C/N(C)C)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512650 EF Annotated Anodyne COC(=O)/C(=C\N(C)C)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512652 EF Annotated Anodyne CCOC(=O)[C@]1(/C=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512718 EF Annotated Anodyne CCOC(=O)[C@@]1(/C=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512720 EF Annotated Anodyne CN1CCN(CC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587512800 EF Annotated Anodyne CN1CCN(CC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587512801 EF Annotated Anodyne Cn1cccc1[C@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512954 EF Annotated Anodyne Cn1cccc1[C@@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512956 EF Annotated Anodyne COC(=O)c1cnc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587513123 EF Annotated Anodyne COC(=O)c1cnc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587513130 EF Annotated Anodyne C[C@@]1(c2cnc(C(=O)O)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513353 EF Annotated Anodyne C[C@]1(c2cnc(C(=O)O)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513356 EF Annotated Anodyne Cn1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587513956 EF Annotated Bother Cn1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] ZINC000587513957 EF Annotated Bother CN1CCN(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587514091 EF Annotated Anodyne CN1CCN(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587514098 EF Annotated Anodyne Cc1nc(O)nc(O)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514851 EF Annotated Anodyne Cc1nc(O)nc(O)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514853 EF Annotated Anodyne Cc1nn(CCO)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516477 EF Annotated Anodyne Cc1nn(CCO)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516478 EF Annotated Anodyne CCn1cc([C@]2(C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587517059 EF Annotated Anodyne CCn1cc([C@@]2(C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587517060 EF Annotated Anodyne CN1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](CCO)C1 ZINC000587517178 EF Annotated Anodyne CN1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](CCO)C1 ZINC000587517179 EF Annotated Anodyne CN1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](CCO)C1 ZINC000587517180 EF Annotated Anodyne CN1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](CCO)C1 ZINC000587517181 EF Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CCN1C)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517248 EF Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CCN1C)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517249 EF Annotated Anodyne COC(=O)[C@H]1C[C@]2(CCN1C)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517250 EF Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CCN1C)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517251 EF Annotated Anodyne COC[C@]1(c2ccnn2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517370 EF Annotated Anodyne COC[C@@]1(c2ccnn2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517371 EF Annotated Anodyne CN1[C@H]2COC[C@H]1CC1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587518603 EF Annotated Anodyne CN1[C@@H]2COC[C@H]1C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587518604 EF Annotated Anodyne CN1[C@@H]2COC[C@H]1C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587518605 EF Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)N(CO)c1ccccc12 ZINC000587518677 EF Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)N(CO)c1ccccc12 ZINC000587518678 EF Annotated Anodyne COCCOC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520405 EF Annotated Anodyne COCCOC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520406 EF Annotated Anodyne CCOC(=O)C[C@]1(COC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520426 EF Annotated Anodyne CCOC(=O)C[C@@]1(COC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520427 EF Annotated Anodyne COC(=O)[C@@]1(/C=C(\C)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521873 EF Annotated Anodyne COC(=O)[C@]1(/C=C(\C)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521880 EF Annotated Anodyne COC(=O)c1n[nH]cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521986 EF Annotated Anodyne COC(=O)c1n[nH]cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521993 EF Annotated Anodyne O=C1C[C@](c2cccnc2)(c2nc[nH]n2)Oc2c1ccc1c2CCCC1 ZINC000587522052 EF Annotated Anodyne O=C1C[C@@](c2cccnc2)(c2nc[nH]n2)Oc2c1ccc1c2CCCC1 ZINC000587522062 EF Annotated Anodyne COC(=O)[C@@H]1CC(OC)=C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587522567 EF Annotated Anodyne COC(=O)[C@@H]1CC(OC)=C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587522579 EF Annotated Anodyne COC(=O)[C@H]1CC(OC)=C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587522582 EF Annotated Anodyne COC(=O)[C@H]1CC(OC)=C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587522590 EF Annotated Anodyne COC1=CC(=O)C=C(OC)C12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523570 EF Annotated Mild C=C1C=C(C)N2NC([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)=NC2=N1 ZINC000587524643 EF Annotated Anodyne C=C1C=C(C)N2NC([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)=NC2=N1 ZINC000587524694 EF Annotated Anodyne O=C1C[C@@H]2C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@@H]2CN1 ZINC000587524940 EF Annotated Anodyne O=C1C[C@@H]2C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H]2CN1 ZINC000587524941 EF Annotated Anodyne O=C1C[C@@H]2C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@@H]2CN1 ZINC000587524942 EF Annotated Anodyne O=C1C[C@@H]2C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H]2CN1 ZINC000587524944 EF Annotated Anodyne COCC[C@@]1(CC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525189 EF Annotated Anodyne COCC[C@]1(CC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525191 EF Annotated Anodyne COC1=CC2(C=C(OC)C1=O)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525567 EF Annotated Mild CCOC[C@@]1(CC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525612 EF Annotated Anodyne CCOC[C@]1(CC(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525613 EF Annotated Anodyne COC(=O)C(=O)C[C@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525659 EF Annotated Anodyne COC(=O)C(=O)C[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587525664 EF Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526006 EF Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526008 EF Annotated Anodyne COC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(OC)=CC1=O ZINC000587526064 EF Annotated Mild COC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(OC)=CC1=O ZINC000587526066 EF Annotated Mild CCOC(=O)CC[C@@]1([C@H](C)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527030 EF Annotated Anodyne CCOC(=O)CC[C@]1([C@H](C)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527056 EF Annotated Anodyne CCOC(=O)CC[C@@]1([C@@H](C)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527058 EF Annotated Anodyne CCOC(=O)CC[C@]1([C@@H](C)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527060 EF Annotated Anodyne COC(=O)C(=O)[C@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587527573 EF Annotated Anodyne COC(=O)C(=O)[C@@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587527574 EF Annotated Anodyne COC(=O)C(=O)[C@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587527576 EF Annotated Anodyne COC(=O)C(=O)[C@@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587527578 EF Annotated Anodyne C[C@]1(c2cc(C(=O)O)[nH]n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527740 EF Annotated Anodyne C[C@@]1(c2cc(C(=O)O)[nH]n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527741 EF Annotated Anodyne C[C@@]1(c2ccc3nnnn3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527774 EF Annotated Anodyne C[C@]1(c2ccc3nnnn3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527775 EF Annotated Anodyne O=C(O)CCC[C@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528905 EF Annotated Anodyne O=C(O)CCC[C@@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528907 EF Annotated Anodyne C[C@H](/C=C/C(=O)O)[C@@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529238 EF Annotated Anodyne C[C@H](/C=C/C(=O)O)[C@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529239 EF Annotated Anodyne C[C@@H](/C=C/C(=O)O)[C@@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529240 EF Annotated Anodyne C[C@@H](/C=C/C(=O)O)[C@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529241 EF Annotated Anodyne CS(=O)(=O)n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530076 EF Annotated Anodyne CS(=O)(=O)n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530088 EF Annotated Anodyne CS(=O)(=O)[C@@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587530835 EF Annotated Anodyne CS(=O)(=O)[C@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587530836 EF Annotated Anodyne CS(=O)(=O)[C@@H]1CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587530837 EF Annotated Anodyne CS(=O)(=O)[C@H]1CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587530839 EF Annotated Anodyne O=C(O)CCC1(CCC(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530989 EF Annotated Anodyne CS(=O)(=O)C[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531740 EF Annotated Anodyne CS(=O)(=O)C[C@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531743 EF Annotated Anodyne O=C1C[C@@](c2cccs2)(C(O)O)Oc2c1ccc1c2CCCC1 ZINC000587531972 EF Annotated Anodyne O=C1C[C@](c2cccs2)(C(O)O)Oc2c1ccc1c2CCCC1 ZINC000587531997 EF Annotated Anodyne CCOC(=O)[C@@H]1COCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587534574 EF Annotated Anodyne CCOC(=O)[C@@H]1COCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587534577 EF Annotated Anodyne CCOC(=O)[C@H]1COCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587534579 EF Annotated Anodyne CCOC(=O)[C@H]1COCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587534582 EF Annotated Anodyne COC1(OC)CCOC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587535451 EF Annotated Anodyne COC1(OC)CCOC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587535453 EF Annotated Anodyne CCOC(=O)[C@@H]1CCOC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536049 EF Annotated Anodyne CCOC(=O)[C@@H]1CCOC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536050 EF Annotated Anodyne CCOC(=O)[C@H]1CCOC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536051 EF Annotated Anodyne CCOC(=O)[C@H]1CCOC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536052 EF Annotated Anodyne COC1=COC(C(=O)O)=C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536199 EF Annotated Anodyne COC1=COC(C(=O)O)=C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536200 EF Annotated Anodyne CO[C@@H]1C[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](OC)O1 ZINC000587536221 EF Annotated Anodyne CO[C@@H]1C[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](OC)O1 ZINC000587536222 EF Annotated Anodyne CO[C@@H]1C[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](OC)O1 ZINC000587536223 EF Annotated Anodyne CO[C@@H]1C[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](OC)O1 ZINC000587536224 EF Annotated Anodyne COC(=O)[C@]1(C)COCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536716 EF Annotated Anodyne COC(=O)[C@@]1(C)COCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536718 EF Annotated Anodyne COC(=O)[C@]1(C)COCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536719 EF Annotated Anodyne COC(=O)[C@@]1(C)COCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536720 EF Annotated Anodyne COC1=COC(CO)=C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536796 EF Annotated Anodyne COC1=COC(CO)=C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587536797 EF Annotated Anodyne COC(=O)[C@@H]1CSC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587537053 EF Annotated Anodyne COC(=O)[C@H]1CSC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587537059 EF Annotated Anodyne COC(=O)[C@@H]1CSC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587537061 EF Annotated Anodyne COC(=O)[C@H]1CSC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587537062 EF Annotated Anodyne COC(=O)[C@H]1SCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587537452 EF Annotated Anodyne COC(=O)[C@@H]1SCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587537453 EF Annotated Anodyne COC(=O)[C@H]1SCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587537454 EF Annotated Anodyne COC(=O)[C@@H]1SCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587537455 EF Annotated Anodyne CN=c1nc(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)[nH]s1 ZINC000587540076 EF Annotated Anodyne CN=c1nc(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)[nH]s1 ZINC000587540077 EF Annotated Anodyne COC(=O)[C@H](Cl)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541315 EF Annotated Reactive COC(=O)[C@H](Cl)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541316 EF Annotated Reactive COC(=O)[C@H](Cl)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541317 EF Annotated Reactive COC(=O)[C@H](Cl)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541318 EF Annotated Reactive COC[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542107 EF Annotated Reactive COC[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542115 EF Annotated Reactive COC[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542117 EF Annotated Reactive COC[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542119 EF Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C(=O)C(F)(F)F ZINC000587545190 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C(=O)C(F)(F)F ZINC000587545193 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C(=O)C(F)(F)F ZINC000587545194 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C(=O)C(F)(F)F ZINC000587545195 EF Annotated Anodyne CC(C)(c1ccc([N+](=O)[O-])cc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587552652 EF Annotated Bother Cc1cc(C)c(NC(=O)Cc2ccc3c(O)nc(O)nc3n2)c(C)c1 ZINC000587552706 EF Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(Oc4ncccn4)cc3)nc2n1 ZINC000587553476 EF Annotated Anodyne CCc1cc(-c2ccc3c(O)nc(O)nc3n2)c(OC)c([N+](=O)[O-])c1 ZINC000587553710 EF Annotated Bother Cc1cc2c(O)nc(O)nc2nc1-c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000587554169 EF Annotated Bother Oc1nc(O)c2ccc(-c3cccc(Oc4ncccn4)c3)nc2n1 ZINC000587554175 EF Annotated Anodyne O=[N+]([O-])c1cccc(/C=C2/CCc3cc4c(O)nc(O)nc4nc32)c1 ZINC000587554187 EF Annotated Bother O=[N+]([O-])c1cccc(/C=C2\CCc3cc4c(O)nc(O)nc4nc32)c1 ZINC000587554190 EF Annotated Bother Cc1nn2c3ccccc3n(C)c2c1-c1ccc2c(O)nc(O)nc2n1 ZINC000587554234 EF Annotated Anodyne CC(=O)c1cccc2ccc(-c3ccc4c(O)nc(O)nc4n3)nc12 ZINC000587554778 EF Annotated Anodyne COc1ccc2[nH]c3c(c2c1)-c1nc2nc(O)nc(O)c2cc1CC3 ZINC000587554999 EF Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCc1cc2c(O)nc(O)nc2nc1-3 ZINC000587555075 EF Annotated Anodyne CC(C)c1ccc(NC(=O)Cc2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587555111 EF Annotated Anodyne COC(C)(Cc1ccccc1-c1ccc2c(O)nc(O)nc2n1)OC ZINC000587555543 EF Annotated Anodyne CCCC(=O)Nc1ccc(O)c(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587555616 EF Annotated Anodyne O=[N+]([O-])c1ccccc1C[C@@H]1CCc2cc3c(O)nc(O)nc3nc21 ZINC000587555788 EF Annotated Bother O=[N+]([O-])c1ccccc1C[C@H]1CCc2cc3c(O)nc(O)nc3nc21 ZINC000587555794 EF Annotated Bother CCc1cc2c(O)nc(O)nc2nc1[C@@H](C)NC(=O)OC(C)(C)C ZINC000587556593 EF Annotated Anodyne CCc1cc2c(O)nc(O)nc2nc1[C@H](C)NC(=O)OC(C)(C)C ZINC000587556596 EF Annotated Anodyne CC(C)c1ccccc1NC(=O)Cc1ccc2c(O)nc(O)nc2n1 ZINC000587556634 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCCc2cc3c(O)nc(O)nc3nc21 ZINC000587556672 EF Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCCCc2cc3c(O)nc(O)nc3nc21 ZINC000587556674 EF Annotated Anodyne CC(=O)c1ccc2cccc(-c3ccc4c(O)nc(O)nc4n3)c2n1 ZINC000587556717 EF Annotated Anodyne Cc1[nH]c(C(=O)O)c(C(C)C)c1-c1ccc2c(O)nc(O)nc2n1 ZINC000587556767 EF Annotated Anodyne C[C@@H]1C[C@@H](C)CN([C@H]2CCCc3cc4c(O)nc(O)nc4nc32)C1 ZINC000587557029 EF Annotated Anodyne C[C@@H]1C[C@@H](C)CN([C@@H]2CCCc3cc4c(O)nc(O)nc4nc32)C1 ZINC000587557030 EF Annotated Anodyne C[C@H]1C[C@@H](C)CN([C@@H]2CCCc3cc4c(O)nc(O)nc4nc32)C1 ZINC000587557031 EF Annotated Anodyne C[C@H]1C[C@@H](C)CN([C@H]2CCCc3cc4c(O)nc(O)nc4nc32)C1 ZINC000587557032 EF Annotated Anodyne COCCn1cc(-c2ccc3c(O)nc(O)nc3n2)c2ccccc21 ZINC000587557264 EF Annotated Anodyne Nc1ccc(N2CCCCC2)cc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587557500 EF Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1-c1ccc2c(O)nc(O)nc2n1 ZINC000587557533 EF Annotated Anodyne CC1(C)c2nc3nc(O)nc(O)c3cc2CCN1Cc1ccccc1 ZINC000587557631 EF Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H](c2ccc3c(O)nc(O)nc3n2)C1 ZINC000587558072 EF Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc3c(O)nc(O)nc3n2)C1 ZINC000587558073 EF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1c1nc3nc(O)nc(O)c3cc12 ZINC000587558339 EF Annotated Anodyne Nc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1N1CCCCC1 ZINC000587558498 EF Annotated Anodyne COC(=O)Oc1ccc(-c2nc3nc(O)nc(O)c3cc2C)cc1 ZINC000587558576 EF Annotated Anodyne CCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)c(OCC)c1 ZINC000587558663 EF Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc2c(O)nc(O)nc2n1 ZINC000587558775 EF Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc2c(O)nc(O)nc2n1 ZINC000587558778 EF Annotated Anodyne COc1ccc([C@@H](C)c2ccc3c(O)nc(O)nc3n2)cc1OC ZINC000587559211 EF Annotated Anodyne COc1ccc([C@H](C)c2ccc3c(O)nc(O)nc3n2)cc1OC ZINC000587559212 EF Annotated Anodyne CC/C=C\C[C@@H]1c2nc3nc(O)nc(O)c3cc2C[C@H]1CC(=O)OC ZINC000587559214 EF Annotated Anodyne CC/C=C/C[C@@H]1c2nc3nc(O)nc(O)c3cc2C[C@@H]1CC(=O)OC ZINC000587559215 EF Annotated Anodyne CC/C=C\C[C@@H]1c2nc3nc(O)nc(O)c3cc2C[C@@H]1CC(=O)OC ZINC000587559216 EF Annotated Anodyne CC/C=C/C[C@@H]1c2nc3nc(O)nc(O)c3cc2C[C@H]1CC(=O)OC ZINC000587559218 EF Annotated Anodyne CCOc1ccc(OCC)c(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587559220 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)[C@@H]1CN(Cc2ccccc2)C[C@H]1CC3 ZINC000587559319 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)[C@@H]1CN(Cc2ccccc2)C[C@@H]1CC3 ZINC000587559320 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)[C@H]1CN(Cc2ccccc2)C[C@@H]1CC3 ZINC000587559321 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)[C@H]1CN(Cc2ccccc2)C[C@H]1CC3 ZINC000587559322 EF Annotated Anodyne CCOc1cccc(OCC)c1-c1ccc2c(O)nc(O)nc2n1 ZINC000587559547 EF Annotated Anodyne CCCCC[C@H]1c2nc3nc(O)nc(O)c3cc2C[C@H]1CC(=O)OC ZINC000587559581 EF Annotated Anodyne CCCCC[C@@H]1c2nc3nc(O)nc(O)c3cc2C[C@H]1CC(=O)OC ZINC000587559582 EF Annotated Anodyne CCCCC[C@@H]1c2nc3nc(O)nc(O)c3cc2C[C@@H]1CC(=O)OC ZINC000587559583 EF Annotated Anodyne CCCCC[C@H]1c2nc3nc(O)nc(O)c3cc2C[C@@H]1CC(=O)OC ZINC000587559584 EF Annotated Anodyne CCOC(=O)/C(=C/c1ccccc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587559710 EF Annotated Anodyne CCOC(=O)/C(=C\c1ccccc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587559711 EF Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)Cc2cc3c(O)nc(O)nc3nc21 ZINC000587559899 EF Annotated Anodyne CCOC(=O)[C@H]1C[C@H](C(C)(C)C)Cc2cc3c(O)nc(O)nc3nc21 ZINC000587559900 EF Annotated Anodyne CCOC(=O)[C@H]1C[C@@H](C(C)(C)C)Cc2cc3c(O)nc(O)nc3nc21 ZINC000587559901 EF Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H](C(C)(C)C)Cc2cc3c(O)nc(O)nc3nc21 ZINC000587559902 EF Annotated Anodyne CCOc1cc(OCC)cc(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587559974 EF Annotated Anodyne CCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1OCC ZINC000587560005 EF Annotated Anodyne CCOC(=O)Cc1nc2nc(O)nc(O)c2cc1C1CCCCC1 ZINC000587560228 EF Annotated Anodyne CC/C=C\C[C@@H]1c2nc3nc(O)nc(O)c3cc2C[C@H]1CC(=O)O ZINC000587560648 EF Annotated Anodyne CC/C=C/C[C@@H]1c2nc3nc(O)nc(O)c3cc2C[C@H]1CC(=O)O ZINC000587560658 EF Annotated Anodyne O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1cccc2ccccc12 ZINC000587560734 EF Annotated Anodyne CCCCC[C@H]1c2nc3nc(O)nc(O)c3cc2C[C@@H]1CC(=O)O ZINC000587561022 EF Annotated Anodyne Cc1cc(C)cc(-c2nc3nc(O)nc(O)c3cc2CCC(=O)O)c1 ZINC000587561085 EF Annotated Anodyne Cc1ccc(-c2nc3nc(O)nc(O)c3cc2CCCC(=O)O)cc1 ZINC000587561499 EF Annotated Anodyne CCCc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)cc1 ZINC000587561830 EF Annotated Anodyne O=C(O)CCCc1cc2c(O)nc(O)nc2nc1-c1ccccc1 ZINC000587561840 EF Annotated Anodyne CC1(C)OCc2cc(-c3ccc4c(O)nc(O)nc4n3)ccc2O1 ZINC000587561861 EF Annotated Anodyne CCc1ccc(-c2nc3nc(O)nc(O)c3cc2CCC(=O)O)cc1 ZINC000587561913 EF Annotated Anodyne CC(C)c1cc2c(O)nc(O)nc2nc1C1C(=O)CC(C)(C)CC1=O ZINC000587562185 EF Annotated Anodyne O=C(Cc1ccc2c(O)nc(O)nc2n1)C12CC3CC(CC(C3)C1)C2 ZINC000587562382 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1cc2c(cc1OCC3)CCCC2 ZINC000587562455 EF Annotated Anodyne CCCCc1cc2c(O)nc(O)nc2nc1CP(=O)(OC)OC ZINC000587562510 EF Annotated Anodyne COc1ccc2c(c1)C=C(c1nc3nc(O)nc(O)c3cc1C)CO2 ZINC000587562587 EF Annotated Anodyne CC(C)Oc1cc2nc(COCC(=O)O)[nH]c2cc1Br ZINC000587562659 EF Annotated Anodyne CSc1ccc(C(=O)Cc2cc3c(O)nc(O)nc3nc2C)cc1 ZINC000587562697 EF Annotated Anodyne CCCOc1cc2nc(COCC(=O)O)[nH]c2cc1Br ZINC000587562718 EF Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1CSc1ccccc1[N+](=O)[O-] ZINC000587562735 EF Annotated Bother CSc1ccc(C(=O)CCc2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587562901 EF Annotated Anodyne C=C1CC(c2nc3nc(O)nc(O)c3cc2CCCC2OCCO2)C1 ZINC000587562927 EF Annotated Mild CCCOc1cc2nc(CC(=O)COC)[nH]c2cc1Br ZINC000587562929 EF Annotated Anodyne CSc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(C)=O)cc1 ZINC000587563021 EF Annotated Anodyne N=c1[nH]c(-c2ccccc2)c(-c2ccc3c(O)nc(O)nc3n2)s1 ZINC000587563121 EF Annotated Anodyne Cc1cc(C)c2c(N)c(-c3ccc4c(O)nc(O)nc4n3)sc2n1 ZINC000587563124 EF Annotated Anodyne COc1ccc2c(c1)-c1nc3nc(O)nc(O)c3cc1CCS2 ZINC000587563147 EF Annotated Anodyne COCC(=O)Cc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587563182 EF Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(CN4CCCC4)cs3)nc2n1 ZINC000587563331 EF Annotated Anodyne Cc1nc(-c2ccccn2)sc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587563403 EF Annotated Anodyne Cc1nc(-c2ccncc2)sc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587563505 EF Annotated Anodyne CCOP(=O)(Cc1nc2nc(O)nc(O)c2cc1C)OCC ZINC000587563610 EF Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(OC4CCOCC4)cc3)nc2n1 ZINC000587563684 EF Annotated Anodyne CC(=O)[C@H](SCc1ccccc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587563686 EF Annotated Anodyne CC(=O)[C@@H](SCc1ccccc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587563687 EF Annotated Anodyne CC(=O)C(=C1SCCCS1)c1ccc2c(O)nc(O)nc2n1 ZINC000587563955 EF Annotated Mild CCCCN=c1[nH]c(C)c(-c2ccc3c(O)nc(O)nc3n2)s1 ZINC000587564006 EF Annotated Anodyne O=[N+]([O-])c1ccccc1SCc1ccc2c(O)nc(O)nc2n1 ZINC000587564130 EF Annotated Bother C#CCOc1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000587564363 EF Annotated Mild COc1cc(C)ccc1OCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587564389 EF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1sc(-c2cccnc2)nc1CC3 ZINC000587564450 EF Annotated Anodyne COc1cc(C)ccc1OCc1nc2nc(Br)c[nH]c-2n1 ZINC000587564469 EF Annotated Anodyne Oc1nc(O)c2ccc(-c3cnc(Nc4cccnc4)s3)nc2n1 ZINC000587564528 EF Annotated Anodyne COc1cc(C)ccc1OCc1nc2c(S)nc(S)nc2[nH]1 ZINC000587564624 EF Annotated Anodyne COc1cc(C)ccc1OCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587565143 EF Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3c(O)nc(=N)[nH]c3[nH]2)cc1 ZINC000587565382 EF Annotated Anodyne Cc1ccc(OCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 ZINC000587565643 EF Annotated Anodyne CC(C)COc1cccc(OCc2nc3nc(C#N)c(C#N)nc3[nH]2)c1 ZINC000587565681 EF Annotated Mild CC(C)COc1cccc(OCc2nc3c(O)nc(S)nc3[nH]2)c1 ZINC000587565854 EF Annotated Anodyne Cc1ccc(OCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 ZINC000587565899 EF Annotated Anodyne CC(C)COc1cccc(OCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 ZINC000587566039 EF Annotated Anodyne Brc1c[nH]c2nc(CCOCc3ccccc3)nc-2n1 ZINC000587566057 EF Annotated Anodyne O=Cc1ccc(OCCc2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000587566195 EF Annotated Anodyne O=Cc1ccc(OCCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 ZINC000587566268 EF Annotated Anodyne O=S(=O)(O)c1ccc2nc(CCOCc3ccccc3)[nH]c2c1 ZINC000587566307 EF Annotated Anodyne O=Cc1ccc(OCCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000587566410 EF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cccc(F)c2[nH]1 ZINC000587566459 EF Annotated Anodyne O=Cc1ccc(OCCc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000587566487 EF Annotated Anodyne N#Cc1nc(Cl)cc2nc(CCOc3ccc(C=O)cc3)[nH]c12 ZINC000587566524 EF Annotated Mild O=Cc1ccc(OCCc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 ZINC000587566550 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOC[C@@H]2F ZINC000587567507 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOC[C@@H]2F ZINC000587567509 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOC[C@H]2F ZINC000587567510 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOC[C@H]2F ZINC000587567512 EF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cccc(C)c2[nH]1 ZINC000587568847 EF Annotated Anodyne CN(C)/C=C(\C#N)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572129 EF Annotated Reactive CN(C)/C=C(/C#N)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572130 EF Annotated Reactive CN(C)/C=C(\C#N)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572131 EF Annotated Reactive CN(C)/C=C(\C#N)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572132 EF Annotated Reactive CN(C)/C=C(\C#N)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572133 EF Annotated Reactive CN(C)/C=C(/C#N)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572134 EF Annotated Reactive CC(=O)N[C@H](C)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572407 EF Annotated Anodyne CC(=O)N[C@H](C)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572408 EF Annotated Anodyne CC(=O)N[C@H](C)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572409 EF Annotated Anodyne CC(=O)N[C@H](C)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572410 EF Annotated Anodyne CN(C)C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572829 EF Annotated Anodyne CN(C)C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572831 EF Annotated Anodyne CN(C)C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572833 EF Annotated Anodyne CN(C)C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572834 EF Annotated Anodyne N=c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587572870 EF Annotated Anodyne N=c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587572874 EF Annotated Anodyne N=c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587572876 EF Annotated Anodyne N=c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587572877 EF Annotated Anodyne C[C@@]1(c2nccnc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573415 EF Annotated Anodyne C[C@@]1(c2nccnc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573416 EF Annotated Anodyne C[C@]1(c2nccnc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573418 EF Annotated Anodyne C[C@]1(c2nccnc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573420 EF Annotated Anodyne CO/C(=C\N(C)C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573635 EF Annotated Anodyne CO/C(=C/N(C)C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573636 EF Annotated Anodyne CO/C(=C/N(C)C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573637 EF Annotated Anodyne CO/C(=C\N(C)C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573638 EF Annotated Anodyne CC(=O)NCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574619 EF Annotated Anodyne CC(=O)NCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574620 EF Annotated Anodyne CC(=O)NCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574621 EF Annotated Anodyne CC(=O)NCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574622 EF Annotated Anodyne Cc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(=N)[nH]1 ZINC000587574657 EF Annotated Anodyne Cc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(=N)[nH]1 ZINC000587574658 EF Annotated Anodyne Cc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(=N)[nH]1 ZINC000587574659 EF Annotated Anodyne Cc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(=N)[nH]1 ZINC000587574660 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc[n+]([O-])cc1 ZINC000587574765 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc[n+]([O-])cc1 ZINC000587574769 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc[n+]([O-])cc1 ZINC000587574770 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc[n+]([O-])cc1 ZINC000587574771 EF Annotated Anodyne N=c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc[nH]1 ZINC000587575995 EF Annotated Anodyne N=c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc[nH]1 ZINC000587575996 EF Annotated Anodyne N=c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc[nH]1 ZINC000587575997 EF Annotated Anodyne N=c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc[nH]1 ZINC000587575999 EF Annotated Anodyne C[C@]1(c2c[nH]c(=N)o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576595 EF Annotated Anodyne C[C@@]1(c2c[nH]c(=N)o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576600 EF Annotated Anodyne C[C@@]1(c2c[nH]c(=N)o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576602 EF Annotated Anodyne C[C@]1(c2c[nH]c(=N)o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576603 EF Annotated Anodyne N=c1cc[nH]cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577234 EF Annotated Anodyne N=c1cc[nH]cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577235 EF Annotated Anodyne N=c1cc[nH]cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577290 EF Annotated Anodyne N=c1cc[nH]cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577292 EF Annotated Anodyne N[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587577880 EF Annotated Anodyne N[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587577885 EF Annotated Anodyne N[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587577886 EF Annotated Anodyne N[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587577887 EF Annotated Anodyne CCn1ncnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581429 EF Annotated Anodyne CCn1ncnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581431 EF Annotated Anodyne CCn1ncnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581433 EF Annotated Anodyne CCn1ncnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581435 EF Annotated Anodyne Cc1cnn(C[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587581462 EF Annotated Anodyne Cc1cnn(C[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587581463 EF Annotated Anodyne Cc1cnn(C[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587581464 EF Annotated Anodyne Cc1cnn(C[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587581465 EF Annotated Anodyne C[C@@H]1C[C@@]2(CN1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581998 EF Annotated Anodyne C[C@@H]1C[C@@]2(CN1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582000 EF Annotated Anodyne C[C@@H]1C[C@]2(CN1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582002 EF Annotated Anodyne C[C@@H]1C[C@]2(CN1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582004 EF Annotated Anodyne CN=c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587582209 EF Annotated Anodyne CN=c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587582214 EF Annotated Anodyne CN=c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587582215 EF Annotated Anodyne CN=c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587582216 EF Annotated Anodyne CN1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582315 EF Annotated Anodyne CN1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582318 EF Annotated Anodyne C[C@@H]1CN(C)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582448 EF Annotated Anodyne C[C@@H]1CN(C)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582449 EF Annotated Anodyne C[C@@H]1CN(C)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582450 EF Annotated Anodyne C[C@@H]1CN(C)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582451 EF Annotated Anodyne C#CCN1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583798 EF Annotated Mild C#CCN1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583799 EF Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC=Cn1ncnc12 ZINC000587585318 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC=Cn1ncnc12 ZINC000587585319 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC=Cn1ncnc12 ZINC000587585320 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC=Cn1ncnc12 ZINC000587585321 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)ncn1 ZINC000587586275 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)ncn1 ZINC000587586276 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)ncn1 ZINC000587586278 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)ncn1 ZINC000587586279 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CN1CCC2CC1 ZINC000587586806 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CN1CCC2CC1 ZINC000587586808 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CN1CCC2CC1 ZINC000587586810 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CN1CCC2CC1 ZINC000587586811 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(CO)n1 ZINC000587587474 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(CO)n1 ZINC000587587484 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(CO)n1 ZINC000587587487 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(CO)n1 ZINC000587587488 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)nn1 ZINC000587588915 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)nn1 ZINC000587588916 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)nn1 ZINC000587588917 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)nn1 ZINC000587588918 EF Annotated Anodyne Cc1[nH]nc(O)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588994 EF Annotated Anodyne Cc1[nH]nc(O)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588997 EF Annotated Anodyne Cc1[nH]nc(O)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588999 EF Annotated Anodyne Cc1[nH]nc(O)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589001 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN1CCC[C@H]12 ZINC000587589156 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN1CCC[C@@H]12 ZINC000587589161 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN1CCC[C@@H]12 ZINC000587589163 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN1CCC[C@H]12 ZINC000587589165 EF Annotated Anodyne Cc1nonc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589324 EF Annotated Anodyne Cc1nonc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589326 EF Annotated Anodyne Cc1nonc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589328 EF Annotated Anodyne Cc1nonc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589330 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(CO)ccn1 ZINC000587590057 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(CO)ccn1 ZINC000587590058 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(CO)ccn1 ZINC000587590059 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(CO)ccn1 ZINC000587590060 EF Annotated Anodyne COC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590147 EF Annotated Anodyne COC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590148 EF Annotated Anodyne COC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590149 EF Annotated Anodyne COC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590150 EF Annotated Anodyne COC(=O)[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590180 EF Annotated Anodyne COC(=O)[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590188 EF Annotated Anodyne COC(=O)[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590190 EF Annotated Anodyne COC(=O)[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590192 EF Annotated Anodyne C[C@@H]1CNCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587590779 EF Annotated Anodyne C[C@@H]1CNCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587590780 EF Annotated Anodyne C[C@@H]1CNCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587590781 EF Annotated Anodyne C[C@@H]1CNCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587590782 EF Annotated Anodyne COC(=O)C[C@H](C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591466 EF Annotated Anodyne COC(=O)C[C@H](C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591470 EF Annotated Anodyne COC(=O)C[C@H](C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591474 EF Annotated Anodyne COC(=O)C[C@H](C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591477 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN1CC[C@H]2C1 ZINC000587591970 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN1CC[C@H]2C1 ZINC000587591972 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCN1CC[C@H]2C1 ZINC000587591975 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCN1CC[C@H]2C1 ZINC000587591977 EF Annotated Anodyne COC(=O)[C@H](C)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593225 EF Annotated Anodyne COC(=O)[C@H](C)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593227 EF Annotated Anodyne COC(=O)[C@H](C)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593228 EF Annotated Anodyne COC(=O)[C@H](C)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593230 EF Annotated Anodyne COC(OC)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593240 EF Annotated Anodyne COC(OC)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593245 EF Annotated Anodyne COC(OC)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593247 EF Annotated Anodyne COC(OC)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593248 EF Annotated Anodyne COCOCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593318 EF Annotated Anodyne COCOCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593320 EF Annotated Anodyne COCOCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593322 EF Annotated Anodyne COCOCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593324 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCNCC2 ZINC000587593345 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCNCC2 ZINC000587593352 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCNCC2 ZINC000587593354 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCNCC2 ZINC000587593355 EF Annotated Anodyne CC[C@@]1(C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593652 EF Annotated Anodyne CC[C@]1(C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593653 EF Annotated Anodyne CC[C@]1(C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593656 EF Annotated Anodyne CC[C@@]1(C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593658 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12[C@H]1CC[C@H]2CNC1 ZINC000587594041 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12[C@H]1CC[C@H]2CNC1 ZINC000587594051 EF Annotated Anodyne COC(=O)C1CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587594191 EF Annotated Anodyne COC(=O)C1CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587594194 EF Annotated Anodyne COC(=O)CC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594271 EF Annotated Anodyne COC(=O)CC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594272 EF Annotated Anodyne COC(=O)CC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594273 EF Annotated Anodyne COC(=O)CC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594274 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1CCNCC1 ZINC000587594939 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1CCNCC1 ZINC000587594943 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1CCNCC1 ZINC000587594947 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1CCNCC1 ZINC000587594951 EF Annotated Anodyne CC(=O)OC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595017 EF Annotated Anodyne CC(=O)OC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595020 EF Annotated Anodyne CC(=O)OC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595021 EF Annotated Anodyne CC(=O)OC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595023 EF Annotated Anodyne COC(=O)C(C)(C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595296 EF Annotated Anodyne COC(=O)C(C)(C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595297 EF Annotated Anodyne COC(=O)C(C)(C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595298 EF Annotated Anodyne COC(=O)C(C)(C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595299 EF Annotated Anodyne C[C@]1([C@H]2CCNC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595467 EF Annotated Anodyne C[C@]1([C@@H]2CCNC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595469 EF Annotated Anodyne C[C@]1([C@@H]2CCNC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595471 EF Annotated Anodyne C[C@]1([C@H]2CCNC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595473 EF Annotated Anodyne CN1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587595713 EF Annotated Anodyne CN1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587595714 EF Annotated Anodyne CN1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587595715 EF Annotated Anodyne CN1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587595716 EF Annotated Anodyne CCOC(=O)[C@H](C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596031 EF Annotated Anodyne CCOC(=O)[C@H](C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596033 EF Annotated Anodyne CCOC(=O)[C@H](C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596036 EF Annotated Anodyne CCOC(=O)[C@H](C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596038 EF Annotated Anodyne C[C@@H]1C[C@]2(CCN1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596277 EF Annotated Anodyne C[C@@H]1C[C@]2(CCN1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596278 EF Annotated Anodyne C[C@@H]1C[C@@]2(CCN1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596279 EF Annotated Anodyne C[C@@H]1C[C@@]2(CCN1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596280 EF Annotated Anodyne C[C@]1([C@@H]2CCCN2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596720 EF Annotated Anodyne C[C@]1([C@H]2CCCN2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596721 EF Annotated Anodyne C[C@]1([C@H]2CCCN2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596722 EF Annotated Anodyne C[C@]1([C@@H]2CCCN2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596723 EF Annotated Anodyne CCOC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597247 EF Annotated Anodyne CCOC(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597248 EF Annotated Anodyne CCOC(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597249 EF Annotated Anodyne CCOC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597250 EF Annotated Anodyne CC(=O)OC1CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587599819 EF Annotated Anodyne CC(=O)OC1CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587599820 EF Annotated Anodyne O=C(O)[C@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587601832 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H](C(=O)O)C2 ZINC000587601834 EF Annotated Anodyne O=C(O)[C@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587601835 EF Annotated Anodyne O=C(O)[C@@H]1CC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587601836 EF Annotated Anodyne O=C(O)[C@H]1CC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587601837 EF Annotated Anodyne O=C(O)[C@H]1CC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587601839 EF Annotated Anodyne O=C(O)[C@@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587601841 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@@H](C(=O)O)C2 ZINC000587601843 EF Annotated Anodyne CC[C@]1(CC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602004 EF Annotated Anodyne CC[C@]1(CC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602005 EF Annotated Anodyne CC[C@@]1(CC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602006 EF Annotated Anodyne CC[C@@]1(CC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602007 EF Annotated Anodyne COC[C@H](C)OC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602168 EF Annotated Anodyne COC[C@@H](C)OC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602169 EF Annotated Anodyne COC[C@@H](C)OC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602170 EF Annotated Anodyne COC[C@H](C)OC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602171 EF Annotated Anodyne COC[C@@H](C)OC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602172 EF Annotated Anodyne COC[C@@H](C)OC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602173 EF Annotated Anodyne COC[C@H](C)OC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602174 EF Annotated Anodyne COC[C@H](C)OC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602175 EF Annotated Anodyne C[C@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603311 EF Annotated Anodyne C[C@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603312 EF Annotated Anodyne C[C@@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603313 EF Annotated Anodyne C[C@@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603314 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)C1CC1 ZINC000587604274 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)C1CC1 ZINC000587604275 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)C1CC1 ZINC000587604276 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)C1CC1 ZINC000587604277 EF Annotated Anodyne CCC[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605046 EF Annotated Anodyne CCC[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605048 EF Annotated Anodyne CCC[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605049 EF Annotated Anodyne CCC[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605051 EF Annotated Anodyne CC(C)[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605320 EF Annotated Anodyne CC(C)[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605321 EF Annotated Anodyne CC(C)[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605323 EF Annotated Anodyne CC(C)[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605325 EF Annotated Anodyne C[C@H](O)[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605595 EF Annotated Anodyne C[C@H](O)[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605596 EF Annotated Anodyne C[C@H](O)[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605597 EF Annotated Anodyne C[C@H](O)[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605598 EF Annotated Anodyne CC1(C)OCC2(CO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587605717 EF Annotated Anodyne CC1(C)OCC2(CO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587605728 EF Annotated Anodyne O=C(O)C1CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587605977 EF Annotated Anodyne O=C(O)C1CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587605978 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1=COCCO1 ZINC000587606502 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1=COCCO1 ZINC000587606503 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1=COCCO1 ZINC000587606504 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1=COCCO1 ZINC000587606505 EF Annotated Anodyne CC1(C)OC[C@@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 ZINC000587606805 EF Annotated Anodyne CC1(C)OC[C@@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 ZINC000587606806 EF Annotated Anodyne CC1(C)OC[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 ZINC000587606807 EF Annotated Anodyne CC1(C)OC[C@@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 ZINC000587606808 EF Annotated Anodyne CC1(C)OC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 ZINC000587606809 EF Annotated Anodyne CC1(C)OC[C@@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 ZINC000587606810 EF Annotated Anodyne CC1(C)OC[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 ZINC000587606811 EF Annotated Anodyne CC1(C)OC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 ZINC000587606812 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1(C(=O)O)CC1 ZINC000587607067 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1(C(=O)O)CC1 ZINC000587607068 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1(C(=O)O)CC1 ZINC000587607069 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1(C(=O)O)CC1 ZINC000587607070 EF Annotated Anodyne C[C@@]1(C2(C(=O)O)CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607281 EF Annotated Anodyne C[C@]1(C2(C(=O)O)CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607282 EF Annotated Anodyne C[C@]1(C2(C(=O)O)CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607283 EF Annotated Anodyne C[C@@]1(C2(C(=O)O)CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607284 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C[C@H]1CO[C@@H](C2)O1 ZINC000587608607 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C[C@H]1CO[C@@H](C2)O1 ZINC000587608620 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1CO[C@@H](C2)O1 ZINC000587608621 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H]1CO[C@@H](C2)O1 ZINC000587608622 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CO[C@H]1CCOC1 ZINC000587608648 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CO[C@@H]1CCOC1 ZINC000587608653 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CO[C@@H]1CCOC1 ZINC000587608655 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CO[C@H]1CCOC1 ZINC000587608657 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CO[C@@H]1CCOC1 ZINC000587608659 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CO[C@@H]1CCOC1 ZINC000587608660 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CO[C@H]1CCOC1 ZINC000587608661 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CO[C@H]1CCOC1 ZINC000587608662 EF Annotated Anodyne C[C@]1([C@H]2CCOC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609124 EF Annotated Anodyne C[C@]1([C@@H]2CCOC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609126 EF Annotated Anodyne C[C@]1([C@H]2CCOC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609127 EF Annotated Anodyne C[C@]1([C@@H]2CCOC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609128 EF Annotated Anodyne CC1(CO)CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587612457 EF Annotated Anodyne CC1(CO)CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587612459 EF Annotated Anodyne CC1(C(=O)O)CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587612774 EF Annotated Anodyne CC1(C(=O)O)CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587612775 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCS(=O)CC2 ZINC000587615198 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCS(=O)CC2 ZINC000587615199 EF Annotated Anodyne CO[C@@H]1COCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587615220 EF Annotated Anodyne CO[C@@H]1COCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587615221 EF Annotated Anodyne CO[C@@H]1COCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587615222 EF Annotated Anodyne CO[C@@H]1COCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587615223 EF Annotated Anodyne C[C@@H]1OC(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H]1C ZINC000587615224 EF Annotated Anodyne C[C@@H]1OC(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H]1C ZINC000587615225 EF Annotated Anodyne C[C@@H]1OC(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H]1C ZINC000587615226 EF Annotated Anodyne C[C@@H]1OC(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H]1C ZINC000587615227 EF Annotated Anodyne CC1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)CO1 ZINC000587615761 EF Annotated Anodyne CC1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)CO1 ZINC000587615762 EF Annotated Anodyne CC1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)CO1 ZINC000587615763 EF Annotated Anodyne CC1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)CO1 ZINC000587615764 EF Annotated Anodyne N=c1[nH]cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587616063 EF Annotated Anodyne N=c1[nH]cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587616066 EF Annotated Anodyne N=c1[nH]cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587616067 EF Annotated Anodyne N=c1[nH]cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587616068 EF Annotated Anodyne C[C@@H]1OC=CC(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587616213 EF Annotated Mild C[C@@H]1OC=CC(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587616221 EF Annotated Mild C[C@@H]1OC=CC(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587616223 EF Annotated Mild C[C@@H]1OC=CC(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587616226 EF Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csnn1 ZINC000587616368 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csnn1 ZINC000587616369 EF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csnn1 ZINC000587616370 EF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csnn1 ZINC000587616371 EF Annotated Anodyne C[C@@H]1OC=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587616873 EF Annotated Anodyne C[C@@H]1OC=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587616874 EF Annotated Anodyne C[C@@H]1OC=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587616875 EF Annotated Anodyne C[C@@H]1OC=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587616876 EF Annotated Anodyne CC1=CC(=O)[C@]2(CO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617045 EF Annotated Mild CC1=CC(=O)[C@]2(CO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617046 EF Annotated Mild CC1=CC(=O)[C@@]2(CO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617047 EF Annotated Mild CC1=CC(=O)[C@@]2(CO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617048 EF Annotated Mild C[C@@H]1C[C@]2(CC(=O)O1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617477 EF Annotated Anodyne C[C@@H]1C[C@@]2(CC(=O)O1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617478 EF Annotated Anodyne C[C@@H]1C[C@@]2(CC(=O)O1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617479 EF Annotated Anodyne C[C@@H]1C[C@]2(CC(=O)O1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617480 EF Annotated Anodyne CC1(C)COC(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587618507 EF Annotated Anodyne CC1(C)COC(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587618508 EF Annotated Anodyne CC1(C)COC(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587618509 EF Annotated Anodyne CC1(C)COC(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587618510 EF Annotated Anodyne N#C[C@@H]1CSC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587620361 EF Annotated Mild N#C[C@@H]1CSC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587620363 EF Annotated Mild N#C[C@@H]1CSC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587620364 EF Annotated Mild N#C[C@@H]1CSC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587620365 EF Annotated Mild CCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1cncn1 ZINC000587622468 EF Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cn1cncn1 ZINC000587622686 EF Annotated Anodyne Cc1c(-c2ncnn2C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622820 EF Annotated Anodyne Cc1c(Cn2cncn2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622908 EF Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1C(=O)CCC1=O ZINC000587623177 EF Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CN1CCOCC1 ZINC000587623233 EF Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1CCN(C)CC1 ZINC000587623263 EF Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1CCOCC1 ZINC000587623725 EF Annotated Anodyne COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccn(C)n1 ZINC000587627136 EF Annotated Anodyne COC(=O)C(=O)c1c(-c2ccn(C)n2)[nH]c2c(C)cc(Cl)cc12 ZINC000587627140 EF Annotated Anodyne COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccnn1C ZINC000587627202 EF Annotated Anodyne COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1cnn(C)c1 ZINC000587627333 EF Annotated Anodyne COC(=O)C(=O)c1c(-c2cnn(C)c2)[nH]c2c(C)cc(Cl)cc12 ZINC000587627411 EF Annotated Anodyne COC(=O)C(=O)c1c(-c2ccnn2C)[nH]c2c(C)cc(Cl)cc12 ZINC000587627477 EF Annotated Anodyne Nc1c(O)cccc1-c1[nH]c2cc(Cl)c(F)cc2c1[C@H](N)C(=O)O ZINC000587631282 EF Annotated Anodyne Nc1c(O)cccc1-c1[nH]c2cc(Cl)c(F)cc2c1[C@@H](N)C(=O)O ZINC000587631285 EF Annotated Anodyne COC(=O)C(=O)c1c(-c2ccnn2C)[nH]c2ccc(F)c(Cl)c12 ZINC000587631519 EF Annotated Anodyne COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1cnn(C)c1 ZINC000587631530 EF Annotated Anodyne COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccnn1C ZINC000587631671 EF Annotated Anodyne Nc1c(O)cccc1-c1[nH]c2ccc(F)c(Cl)c2c1[C@H](N)C(=O)O ZINC000587631851 EF Annotated Anodyne Nc1c(O)cccc1-c1[nH]c2ccc(F)c(Cl)c2c1[C@@H](N)C(=O)O ZINC000587631852 EF Annotated Anodyne COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccn(C)n1 ZINC000587631903 EF Annotated Anodyne COC(=O)C(=O)c1c(-c2ccn(C)n2)[nH]c2cc(Cl)c(F)cc12 ZINC000587631916 EF Annotated Anodyne COC(=O)C(=O)c1c(-c2cnn(C)c2)[nH]c2ccc(F)c(Cl)c12 ZINC000587631941 EF Annotated Anodyne COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1cnn(C)c1 ZINC000587631946 EF Annotated Anodyne COC(=O)C(=O)c1c(-c2cnn(C)c2)[nH]c2cc(Cl)c(F)cc12 ZINC000587632158 EF Annotated Anodyne COC(=O)C(=O)c1c(-c2ccnn2C)[nH]c2cc(Cl)c(F)cc12 ZINC000587632428 EF Annotated Anodyne COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccnn1C ZINC000587632507 EF Annotated Anodyne COC(=O)C(=O)c1c(-c2ccn(C)n2)[nH]c2ccc(F)c(Cl)c12 ZINC000587632522 EF Annotated Anodyne COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccn(C)n1 ZINC000587632554 EF Annotated Anodyne COC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1c(C)nn(C)c1C ZINC000587634892 EF Annotated Anodyne COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1c(C)nn(C)c1C ZINC000587634897 EF Annotated Anodyne COC(=O)C(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2cccc(F)c12 ZINC000587635408 EF Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2cc(F)ccc2c1CN1CCOCC1 ZINC000587635862 EF Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2cccc(F)c2c1CN1CCOCC1 ZINC000587636123 EF Annotated Anodyne COC(=O)C(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2cc(F)ccc12 ZINC000587636311 EF Annotated Anodyne COC(=O)c1[nH]c2cc(F)ccc2c1N1C(=O)c2ccccc2C1=O ZINC000587636761 EF Annotated Anodyne CCOC(=O)c1c(CBr)[nH]c2c(C(=O)O)cccc12 ZINC000587636901 EF Annotated Reactive COC(=O)c1[nH]c2cccc(F)c2c1N1C(=O)c2ccccc2C1=O ZINC000587636927 EF Annotated Anodyne CC(C)(C)OC(=O)Cc1[nH]c2c(C(=O)O)cccc2c1[C@H](O)CC#N ZINC000587637365 EF Annotated Mild C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c(C(=O)O)cccc12 ZINC000587637416 EF Annotated Anodyne C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c(C(=O)O)cccc12 ZINC000587637417 EF Annotated Anodyne C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c(C(=O)O)cccc12 ZINC000587637418 EF Annotated Anodyne C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c(C(=O)O)cccc12 ZINC000587637419 EF Annotated Anodyne COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(C#N)cc1 ZINC000587637673 EF Annotated Mild COC(=O)[C@@H](N=O)c1c(-c2cccnc2)[nH]c2c(C(=O)O)cccc12 ZINC000587637930 EF Annotated Anodyne COC(=O)[C@H](N=O)c1c(-c2cccnc2)[nH]c2c(C(=O)O)cccc12 ZINC000587637931 EF Annotated Anodyne O=CNc1ccccc1-c1[nH]c2c(C(=O)O)cccc2c1CC(=O)O ZINC000587638169 EF Annotated Anodyne Cn1cc(C(=O)c2c(C(F)(F)F)[nH]c3c(C(=O)O)cccc23)cn1 ZINC000587638371 EF Annotated Anodyne CC(C)(C)OC(=O)c1c(C[C@H](O)CC#N)[nH]c2c(C(=O)O)cccc12 ZINC000587638507 EF Annotated Mild CCOC(=O)C(=O)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587638529 EF Annotated Anodyne COC(=O)C(=O)c1c(-c2ccc(C#N)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587638589 EF Annotated Mild COC(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2c(C(=O)O)cccc12 ZINC000587638697 EF Annotated Anodyne CCOC(=O)/C(=C/N(C)C)c1[nH]c2c(C(=O)O)cccc2c1CC ZINC000587638885 EF Annotated Anodyne CCOC(=O)/C(=C\N(C)C)c1[nH]c2c(C(=O)O)cccc2c1CC ZINC000587638886 EF Annotated Anodyne CCn1cc(-c2[nH]c3c(C(=O)O)cccc3c2N2CCOCC2)cn1 ZINC000587638981 EF Annotated Anodyne CCOC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccccn1 ZINC000587639033 EF Annotated Anodyne CCOC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)C(F)(F)F ZINC000587639154 EF Annotated Anodyne Cn1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c(C(=O)O)cccc23)n1 ZINC000587639223 EF Annotated Anodyne CCOC(=O)c1c(-c2cc(C)nn2C)[nH]c2c(C(=O)O)cccc12 ZINC000587639252 EF Annotated Anodyne CCOC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1cccnc1 ZINC000587639361 EF Annotated Anodyne CCOC(=O)c1c(-c2cnn(CC)c2)[nH]c2c(C(=O)O)cccc12 ZINC000587639437 EF Annotated Anodyne CCOC(=O)C(=O)c1c(-c2ccccn2)[nH]c2c(C(=O)O)cccc12 ZINC000587639461 EF Annotated Anodyne COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc(C#N)cc1 ZINC000587646647 EF Annotated Mild CC(C)(C)OC(=O)Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@H](O)CC#N ZINC000587646715 EF Annotated Mild O=CNc1ccccc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1CC(=O)O ZINC000587646895 EF Annotated Bother CC(C)(C)OC(=O)Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@H](O)CC#N ZINC000587646946 EF Annotated Mild O=CNc1ccccc1-c1[nH]c2cccc([N+](=O)[O-])c2c1CC(=O)O ZINC000587647049 EF Annotated Bother COC(=O)C(=O)c1c(-c2ccc(C#N)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587647060 EF Annotated Mild CC(C)(C)OC(=O)c1c(C[C@H](O)CC#N)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587647123 EF Annotated Mild COC(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587647248 EF Annotated Bother CCOC(=O)c1c(-c2cc(C)nn2C)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587647314 EF Annotated Bother CCn1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2N2CCOCC2)cn1 ZINC000587647335 EF Annotated Bother CCn1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2N2CCOCC2)cn1 ZINC000587647399 EF Annotated Bother Cc1nn(C)cc1-c1[nH]c2cccc([N+](=O)[O-])c2c1N1CCOCC1 ZINC000587647402 EF Annotated Bother CC(C)(C)OC(=O)c1c(C[C@H](O)CC#N)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587647497 EF Annotated Mild CC(C)(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1-n1cc(C(=O)O)nn1 ZINC000587647676 EF Annotated Bother CC(C)(C)c1[nH]c2cccc([N+](=O)[O-])c2c1-n1cc(C(=O)O)nn1 ZINC000587647783 EF Annotated Bother Cc1nn(C)cc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1N1CCOCC1 ZINC000587647982 EF Annotated Bother COc1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CC(=O)O)ccn1 ZINC000587648530 EF Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1-n1c(=O)oc(=O)c2ccccc21 ZINC000587648546 EF Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-n1c(=O)oc(=O)c2ccccc21 ZINC000587648553 EF Annotated Bother CCOC(=O)C(=O)c1c(-c2cccnc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587648751 EF Annotated Bother CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccccn1 ZINC000587648789 EF Annotated Bother CCOC(=O)C(=O)c1c(-c2ccccn2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587648855 EF Annotated Bother COC(=O)c1c(C2CC(F)(F)C2)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587648947 EF Annotated Anodyne CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cccnc1 ZINC000587649097 EF Annotated Bother Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-n1nc(Cl)nc1Cl ZINC000587649721 EF Annotated Anodyne CCn1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C#N)c(C)n1 ZINC000587650695 EF Annotated Mild Cc1nn(-c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)c(C)c1[N+](=O)[O-] ZINC000587650867 EF Annotated Bother Cc1c(CNC(=O)OC(C)(C)C)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650987 EF Annotated Anodyne Cc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)n(C(F)F)n1 ZINC000587651050 EF Annotated Anodyne Cc1nn(CC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1Cl ZINC000587651092 EF Annotated Anodyne O=C(COc1ccccc1F)n1ncc2ccc(Cl)cc2c1=O ZINC000587651110 EF Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccc(C(F)(F)F)nn1 ZINC000587651193 EF Annotated Anodyne CCc1c(-c2c[nH]c(C(=O)O)c2)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587651224 EF Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)N1CCCC[C@H]1C ZINC000587651241 EF Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)N1CCCC[C@@H]1C ZINC000587651242 EF Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nnc(C(F)(F)F)s1 ZINC000587651345 EF Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccnc(C(F)(F)F)n1 ZINC000587651505 EF Annotated Anodyne O=C([C@@H]1Cc2ccccc2O1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651582 EF Annotated Anodyne O=C([C@H]1Cc2ccccc2O1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651584 EF Annotated Anodyne CN(C)c1cccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1 ZINC000587651628 EF Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ncc(Br)cn1 ZINC000587651640 EF Annotated Anodyne O=C(CCn1cc(Cl)cn1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651709 EF Annotated Anodyne CC(=O)Nc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587651734 EF Annotated Anodyne Cc1ccc(NC(=O)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587651815 EF Annotated Anodyne O=C(CCc1ccc(O)c(O)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651852 EF Annotated Clean O=C(c1ccc2c(c1)OCCO2)n1ncc2ccc(Cl)cc2c1=O ZINC000587651913 EF Annotated Anodyne O=C([C@@H]1COc2ccccc2O1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651949 EF Annotated Anodyne O=C([C@H]1COc2ccccc2O1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651953 EF Annotated Anodyne CCn1cc(Cl)c(C(=O)n2ncc3ccc(Cl)cc3c2=O)n1 ZINC000587652026 EF Annotated Anodyne O=C(CNc1ccccc1F)n1ncc2ccc(Cl)cc2c1=O ZINC000587652034 EF Annotated Anodyne O=C(CNc1ccc(F)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652046 EF Annotated Anodyne O=C(COCc1ccccc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652109 EF Annotated Anodyne Cc1nnc(-n2ncc3ccc(Cl)cc3c2=O)n1-c1ccccc1 ZINC000587652218 EF Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nccc(C(F)(F)F)n1 ZINC000587652241 EF Annotated Anodyne O=C(COc1cccc(F)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652249 EF Annotated Anodyne C[C@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)n1cc(Cl)cn1 ZINC000587652254 EF Annotated Anodyne C[C@@H](C(=O)n1ncc2ccc(Cl)cc2c1=O)n1cc(Cl)cn1 ZINC000587652255 EF Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000587652267 EF Annotated Bother Cc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)nn1C(F)F ZINC000587652269 EF Annotated Anodyne Cc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1[N+](=O)[O-] ZINC000587652315 EF Annotated Bother O=C(c1ccc2c(c1)CCO2)n1ncc2ccc(Cl)cc2c1=O ZINC000587652337 EF Annotated Anodyne O=C(c1ccccc1[N+](=O)[O-])n1ncc2ccc(Cl)cc2c1=O ZINC000587652374 EF Annotated Bother Cc1noc2ncc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc12 ZINC000587652428 EF Annotated Anodyne CN(C)c1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587652498 EF Annotated Anodyne O=C(COc1ccc(F)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652641 EF Annotated Anodyne O=C(c1cn2cc(F)ccc2n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652659 EF Annotated Anodyne O=C(c1ccc2nccnc2c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652669 EF Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)n1ncc2ccc(Cl)cc2c1=O ZINC000587652717 EF Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nncc(-c2ccccc2)n1 ZINC000587652778 EF Annotated Anodyne O=C(c1ccc([N+](=O)[O-])cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652863 EF Annotated Bother O=C(Nc1ccc(CCO)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652864 EF Annotated Anodyne O=C(c1cccc([N+](=O)[O-])c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652880 EF Annotated Bother Cc1c(C(=O)n2ncc3ccc(Cl)cc3c2=O)cccc1[N+](=O)[O-] ZINC000587652882 EF Annotated Bother Cc1cc(C)n(CCC(=O)n2ncc3ccc(Cl)cc3c2=O)n1 ZINC000587653088 EF Annotated Anodyne Cc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)ccc1[N+](=O)[O-] ZINC000587653191 EF Annotated Bother Cn1cnc2cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)ccc21 ZINC000587653210 EF Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nccc(-c2cccnc2)n1 ZINC000587653231 EF Annotated Anodyne O=C(O)c1ccc(NC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587653353 EF Annotated Anodyne O=C(Cc1cn2ccsc2n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653426 EF Annotated Anodyne O=C(Cc1ccc([N+](=O)[O-])cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653436 EF Annotated Bother CCN(CC)c1ccnc(-n2ncc3ccc(Cl)cc3c2=O)n1 ZINC000587653494 EF Annotated Anodyne CC(C)(C)OC(=O)N1CC(n2ncc3ccc(Cl)cc3c2=O)C1 ZINC000587653536 EF Annotated Anodyne Cn1c(-c2ccccc2)nnc1-n1ncc2ccc(Cl)cc2c1=O ZINC000587653558 EF Annotated Anodyne O=C(Cc1cn2ccccc2n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653564 EF Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587653643 EF Annotated Bother O=c1c2cc(Cl)ccc2cnn1-c1nnc(-c2ccccn2)s1 ZINC000587653863 EF Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1C(=S)NCc1ccccc1 ZINC000587654082 EF Annotated Anodyne CC(C)(C)c1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)[nH]n1 ZINC000587654135 EF Annotated Anodyne Cc1ccn2cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)nc2c1 ZINC000587654140 EF Annotated Anodyne O=C(CSc1ccccn1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654183 EF Annotated Anodyne Cc1nc2ccccn2c1C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587654499 EF Annotated Anodyne Nc1c(C(=O)n2ncc3ccc(Cl)cc3c2=O)[nH]c2ccccc12 ZINC000587654539 EF Annotated Anodyne O=C(NCCc1cccs1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654575 EF Annotated Anodyne Cc1nc2sccn2c1C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587654618 EF Annotated Anodyne O=C(c1cc(-c2ccco2)[nH]n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654858 EF Annotated Anodyne O=C(Cc1nc2ccccc2[nH]1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654868 EF Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1nn2cnnc2c2ccccc12 ZINC000587654890 EF Annotated Anodyne Cc1n[nH]c(C)c1CCC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587654935 EF Annotated Anodyne CSc1ncccc1C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587655131 EF Annotated Anodyne C[C@H](CN1CCCCC1)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587655187 EF Annotated Anodyne C[C@@H](CN1CCCCC1)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587655188 EF Annotated Anodyne COc1ccc(NC(=S)n2ncc3ccc(Cl)cc3c2=O)cn1 ZINC000587655205 EF Annotated Anodyne Cc1cccc2nc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cn12 ZINC000587655249 EF Annotated Anodyne CC(C)(O)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655479 EF Annotated Anodyne CN(C)CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655632 EF Annotated Anodyne C[C@H](O)CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656885 EF Annotated Anodyne C[C@@H](O)CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656887 EF Annotated Anodyne O=C(CCCO)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657132 EF Annotated Anodyne COCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657348 EF Annotated Anodyne CC(C)(O)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657895 EF Annotated Anodyne CNC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658007 EF Annotated Anodyne O=C(CCCO)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658165 EF Annotated Anodyne O=C(CS)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658211 EF Annotated Mild CO[C@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658517 EF Annotated Anodyne CO[C@@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658518 EF Annotated Anodyne CCOCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659748 EF Annotated Anodyne O=C(c1cnccn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659860 EF Annotated Anodyne O=C(c1cnco1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659882 EF Annotated Anodyne O=C(c1ccon1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659896 EF Annotated Anodyne O=C(c1cccnn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659917 EF Annotated Anodyne Cn1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 ZINC000587660014 EF Annotated Anodyne O=C(c1cocn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660021 EF Annotated Anodyne CN(C)CCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660094 EF Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(O)ncn1 ZINC000587660162 EF Annotated Anodyne O=C(Cn1cccn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660187 EF Annotated Anodyne O=C(c1cc[nH]n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660292 EF Annotated Anodyne Cc1n[nH]cc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660320 EF Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccnc(O)n1 ZINC000587660488 EF Annotated Anodyne O=C(c1ccncn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660612 EF Annotated Anodyne O=C(c1cn[nH]c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660913 EF Annotated Anodyne COc1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nn1 ZINC000587660995 EF Annotated Anodyne Cn1ccnc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661012 EF Annotated Anodyne O=C(c1ncccn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661223 EF Annotated Anodyne O=C(Cc1cc[nH]n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661225 EF Annotated Anodyne CCNCCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661279 EF Annotated Anodyne O=C([C@@H]1CCOC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661308 EF Annotated Anodyne O=C([C@H]1CCOC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661309 EF Annotated Anodyne CN(C)C(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661610 EF Annotated Anodyne CCNC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661623 EF Annotated Anodyne Cc1nc[nH]c1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661908 EF Annotated Anodyne Cn1nccc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662042 EF Annotated Anodyne Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n[nH]1 ZINC000587662179 EF Annotated Anodyne O=C(c1cnc[nH]1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662283 EF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C=O)c(=O)c3ccccc23)c(O)c1 ZINC000587664684 EF Annotated Anodyne CCOc1ccc(-c2nn(C=O)c(=O)c3ccccc23)cc1OCC ZINC000587669434 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNC[C@H]2F)N1 ZINC000587737740 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNC[C@@H]2F)N1 ZINC000587737741 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNC[C@@H]2F)N1 ZINC000587737742 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNC[C@H]2F)N1 ZINC000587737743 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNC[C@@H]2F)N1 ZINC000587738675 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNC[C@H]2F)N1 ZINC000587738676 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNC[C@H]2F)N1 ZINC000587738677 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNC[C@@H]2F)N1 ZINC000587738678 EF Annotated Anodyne CC(=O)N[C@@H]1CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587739553 EF Annotated Anodyne CC(=O)N[C@@H]1CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587739554 EF Annotated Anodyne CC(=O)N[C@@H]1CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587739555 EF Annotated Anodyne CC(=O)N[C@@H]1CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587739556 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)N(C)C)N1 ZINC000587742865 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)N(C)C)N1 ZINC000587742869 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)N(C)C)N1 ZINC000587742870 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)N(C)C)N1 ZINC000587742871 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)N(C)C)N1 ZINC000587742900 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)N(C)C)N1 ZINC000587742901 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)N(C)C)N1 ZINC000587742902 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)N(C)C)N1 ZINC000587742903 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccnc2N)N1 ZINC000587743009 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccnc2N)N1 ZINC000587743015 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccnc2N)N1 ZINC000587743016 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccnc2N)N1 ZINC000587743018 EF Annotated Anodyne CC(=O)N[C@@H]1CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587743039 EF Annotated Anodyne CC(=O)N[C@@H]1CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587743040 EF Annotated Anodyne CC(=O)N[C@@H]1CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587743041 EF Annotated Anodyne CC(=O)N[C@@H]1CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587743042 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c(=N)o2)N1 ZINC000587744674 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c(=N)o2)N1 ZINC000587744693 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c(=N)o2)N1 ZINC000587744696 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c(=N)o2)N1 ZINC000587744698 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccnc2N)N1 ZINC000587745068 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccnc2N)N1 ZINC000587745070 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccnc2N)N1 ZINC000587745071 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccnc2N)N1 ZINC000587745072 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c(=N)o2)N1 ZINC000587745406 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c(=N)o2)N1 ZINC000587745409 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c(=N)o2)N1 ZINC000587745411 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c(=N)o2)N1 ZINC000587745414 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc[n+]([O-])cc2)N1 ZINC000587748606 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc[n+]([O-])cc2)N1 ZINC000587748607 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc[n+]([O-])cc2)N1 ZINC000587748608 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc[n+]([O-])cc2)N1 ZINC000587748609 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc[n+]([O-])cc2)N1 ZINC000587750636 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc[n+]([O-])cc2)N1 ZINC000587750637 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc[n+]([O-])cc2)N1 ZINC000587750639 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc[n+]([O-])cc2)N1 ZINC000587750642 EF Annotated Anodyne CC(=O)N[C@H](C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753589 EF Annotated Anodyne CC(=O)N[C@H](C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753604 EF Annotated Anodyne CC(=O)N[C@H](C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753605 EF Annotated Anodyne CC(=O)N[C@H](C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753607 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CNC(=O)C2CC2)N1 ZINC000587754137 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CNC(=O)C2CC2)N1 ZINC000587754139 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CNC(=O)C2CC2)N1 ZINC000587754141 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CNC(=O)C2CC2)N1 ZINC000587754143 EF Annotated Anodyne CC(=O)N[C@H](C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755065 EF Annotated Anodyne CC(=O)N[C@H](C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755067 EF Annotated Anodyne CC(=O)N[C@H](C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755069 EF Annotated Anodyne CC(=O)N[C@H](C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755071 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CNC(=O)C2CC2)N1 ZINC000587755853 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CNC(=O)C2CC2)N1 ZINC000587755854 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CNC(=O)C2CC2)N1 ZINC000587755855 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CNC(=O)C2CC2)N1 ZINC000587755856 EF Annotated Anodyne CCn1ncnc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757244 EF Annotated Anodyne CCn1ncnc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757248 EF Annotated Anodyne CCn1ncnc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757250 EF Annotated Anodyne CCn1ncnc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757251 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncnn2C)N1 ZINC000587759638 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncnn2C)N1 ZINC000587759639 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncnn2C)N1 ZINC000587759640 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncnn2C)N1 ZINC000587759641 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C)C[C@H]2C)N1 ZINC000587759914 EF Annotated Anodyne C[C@H]1CN(C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587759915 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C)C[C@H]2C)N1 ZINC000587759916 EF Annotated Anodyne C[C@H]1CN(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587759917 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncnn2C)N1 ZINC000587761207 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncnn2C)N1 ZINC000587761208 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncnn2C)N1 ZINC000587761209 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncnn2C)N1 ZINC000587761210 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C)C[C@H]2C)N1 ZINC000587761533 EF Annotated Anodyne C[C@H]1CN(C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761534 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C)C[C@H]2C)N1 ZINC000587761535 EF Annotated Anodyne C[C@H]1CN(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587761536 EF Annotated Anodyne CCn1ncnc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762089 EF Annotated Anodyne CCn1ncnc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762090 EF Annotated Anodyne CCn1ncnc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762092 EF Annotated Anodyne CCn1ncnc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762094 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C=O)CC2)N1 ZINC000587765844 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C=O)CC2)N1 ZINC000587765863 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C)C(=O)C2)N1 ZINC000587769782 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C)C(=O)C2)N1 ZINC000587769784 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C)C(=O)C2)N1 ZINC000587769786 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C)C(=O)C2)N1 ZINC000587769787 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(C)C(=O)C2)N1 ZINC000587770109 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(C)C(=O)C2)N1 ZINC000587770122 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(C)C(=O)C2)N1 ZINC000587770124 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(C)C(=O)C2)N1 ZINC000587770125 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C)C(=O)C2)N1 ZINC000587771086 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C)C(=O)C2)N1 ZINC000587771088 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C)C(=O)C2)N1 ZINC000587771089 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C)C(=O)C2)N1 ZINC000587771092 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C=O)CC2)N1 ZINC000587771122 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C=O)CC2)N1 ZINC000587771124 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=CN(C)C2=O)N1 ZINC000587772381 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=CN(C)C2=O)N1 ZINC000587772383 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=CN(C)C2=O)N1 ZINC000587772387 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=CN(C)C2=O)N1 ZINC000587772390 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(C)C(=O)C2)N1 ZINC000587772535 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(C)C(=O)C2)N1 ZINC000587772541 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(C)C(=O)C2)N1 ZINC000587772544 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(C)C(=O)C2)N1 ZINC000587772546 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=CN(C)C2=O)N1 ZINC000587776257 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=CN(C)C2=O)N1 ZINC000587776258 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=CN(C)C2=O)N1 ZINC000587776259 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=CN(C)C2=O)N1 ZINC000587776260 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)ncn2)N1 ZINC000587777388 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)ncn2)N1 ZINC000587777391 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)ncn2)N1 ZINC000587777392 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)ncn2)N1 ZINC000587777393 EF Annotated Anodyne CCOCCOCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587777837 EF Annotated Bother CCOc1ccc(OCC)c(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 ZINC000587777843 EF Annotated Anodyne CCOCCOCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587777871 EF Annotated Anodyne CCCOc1cccc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000587778057 EF Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3c(O)nc(S)nc3[nH]2)c1 ZINC000587778117 EF Annotated Anodyne CCOCCOCc1nc2cccc(I)c2[nH]1 ZINC000587778157 EF Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3nc(C#N)c(C#N)nc3[nH]2)c1 ZINC000587778319 EF Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)ncn2)N1 ZINC000587778633 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)ncn2)N1 ZINC000587778634 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)ncn2)N1 ZINC000587778635 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)ncn2)N1 ZINC000587778636 EF Annotated Anodyne CCOCCOCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587778792 EF Annotated Anodyne CCOCCOCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587779242 EF Annotated Anodyne CCOCCOCc1nc2ccc(I)cc2[nH]1 ZINC000587779262 EF Annotated Anodyne CCOCCOCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587779286 EF Annotated Bother CCOCCOCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587779307 EF Annotated Anodyne CCOc1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)ccc1C ZINC000587779868 EF Annotated Anodyne CCOc1ccccc1OCc1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000587780479 EF Annotated Anodyne CCOc1ccccc1OCc1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000587780566 EF Annotated Anodyne C(=C\c1ccccc1)\COCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587780808 EF Annotated Anodyne C(=C/c1ccccc1)\COCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587780809 EF Annotated Anodyne COc1cc2nc(CC(=O)OCc3ccccc3)[nH]c2cc1OC ZINC000587781049 EF Annotated Anodyne O=C(Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)OCc1ccccc1 ZINC000587781050 EF Annotated Bother CN(C)C(=O)c1ccc2nc(CC(=O)OCc3ccccc3)[nH]c2c1 ZINC000587781059 EF Annotated Anodyne O=C(Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)OCc1ccccc1 ZINC000587781062 EF Annotated Anodyne O=C(Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)OCc1ccccc1 ZINC000587781276 EF Annotated Anodyne O=C(Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)OCc1ccccc1 ZINC000587781382 EF Annotated Anodyne CCOc1ccccc1OCc1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587781521 EF Annotated Anodyne CCOc1ccccc1OCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587781528 EF Annotated Anodyne CCOc1ccccc1OCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587781546 EF Annotated Anodyne CCOc1ccccc1OCc1nc2c(S)nc(S)nc2[nH]1 ZINC000587781672 EF Annotated Anodyne N=c1[nH]cc2nc(-c3cc(OCc4ccccc4)ccc3O)nc-2[nH]1 ZINC000587781692 EF Annotated Anodyne COc1cc(OC)c2[nH]c(CC(=O)OCc3ccccc3)nc2c1 ZINC000587781722 EF Annotated Anodyne CCOc1ccccc1OCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587781952 EF Annotated Anodyne O=C1CCc2cc3nc(CC(=O)OCc4ccccc4)[nH]c3cc2N1 ZINC000587782227 EF Annotated Anodyne Nc1ncnc2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc12 ZINC000587782859 EF Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587782979 EF Annotated Mild COC(=O)C[C@H](C)Cc1nc2c(C)c(Br)cnc2[nH]1 ZINC000587783030 EF Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(CCOCC3CC3)nc-2[nH]1 ZINC000587783281 EF Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587783297 EF Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587783339 EF Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587783477 EF Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587783498 EF Annotated Anodyne Ic1cnc2[nH]c(CCOCC3CC3)nc2c1 ZINC000587783512 EF Annotated Anodyne O=S(=O)(c1ccc2nc(CCOCC3CC3)[nH]c2c1)C(F)(F)F ZINC000587783567 EF Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587783573 EF Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2cc(Br)c(C)nc2[nH]1 ZINC000587783584 EF Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587783598 EF Annotated Mild COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 ZINC000587784067 EF Annotated Bother COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 ZINC000587784068 EF Annotated Bother COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 ZINC000587784069 EF Annotated Bother COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 ZINC000587784070 EF Annotated Bother O=C(O)c1cc(Br)cc2nc(CCOCC3CC3)[nH]c12 ZINC000587784385 EF Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587784495 EF Annotated Anodyne COc1cc(/C=C\c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc(O)c1O ZINC000587784862 EF Annotated Clean COc1cc(/C=C/c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc(O)c1O ZINC000587784863 EF Annotated Clean COc1cc(/C=C\c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc(O)c1O ZINC000587784864 EF Annotated Clean COc1cc(/C=C/c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc(O)c1O ZINC000587784865 EF Annotated Clean COc1cc(/C=C\c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc(O)c1O ZINC000587785168 EF Annotated Clean COc1cc(/C=C/c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc(O)c1O ZINC000587785169 EF Annotated Clean COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCCO4)cc(O)c1O ZINC000587785199 EF Annotated Clean COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCCO4)cc(O)c1O ZINC000587785201 EF Annotated Clean COC(=O)c1cccc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c12 ZINC000587785275 EF Annotated Clean COC(=O)c1cccc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c12 ZINC000587785276 EF Annotated Clean COc1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc(OC)c1O ZINC000587785469 EF Annotated Anodyne COc1ccc(C=O)c(-c2nc3cc(CCO)ccc3[nH]2)c1OC ZINC000587785501 EF Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587785606 EF Annotated Anodyne COc1ccc(C=O)c(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)c1OC ZINC000587785731 EF Annotated Anodyne COc1ccc(-c2cccc(-c3nc4c[nH]c(=N)[nH]c-4n3)c2)cc1O ZINC000587785751 EF Annotated Anodyne COc1ccc(C=O)cc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587785766 EF Annotated Anodyne COc1cc(/C=C\c2nc3ccc(C(=O)O)cc3[nH]2)cc(O)c1O ZINC000587785847 EF Annotated Clean COc1cc(/C=C/c2nc3ccc(C(=O)O)cc3[nH]2)cc(O)c1O ZINC000587785848 EF Annotated Clean COc1cc(OC)c2[nH]c(-c3cc(OC)c(O)c(OC)c3)nc2c1 ZINC000587785892 EF Annotated Anodyne COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCO4)cc(O)c1O ZINC000587785901 EF Annotated Clean COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCO4)cc(O)c1O ZINC000587785907 EF Annotated Clean COc1ccc(C)cc1C(=O)CCc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587785912 EF Annotated Bother COc1cc(/C=C/c2nc3ccc(CCO)cc3[nH]2)cc(O)c1O ZINC000587785954 EF Annotated Clean COc1cc(/C=C\c2nc3ccc(CCO)cc3[nH]2)cc(O)c1O ZINC000587785955 EF Annotated Clean COC(=O)c1ccc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2c1 ZINC000587785956 EF Annotated Clean COC(=O)c1ccc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2c1 ZINC000587785957 EF Annotated Clean COc1cc(/C=C\c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc(O)c1O ZINC000587786002 EF Annotated Clean COc1cc(/C=C\c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc(O)c1O ZINC000587786005 EF Annotated Clean COc1cc(/C=C/c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc(O)c1O ZINC000587786006 EF Annotated Clean COc1cc(/C=C/c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc(O)c1O ZINC000587786007 EF Annotated Clean COc1ccc(C=O)cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587786062 EF Annotated Bother COc1ccc(C=O)c(-c2nc3cc4c(cc3[nH]2)OCCO4)c1OC ZINC000587786082 EF Annotated Anodyne COc1ccc(-c2cccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)c2)cc1O ZINC000587786100 EF Annotated Anodyne COc1cc(/C=C\c2nc3c(S)nc(S)nc3[nH]2)cc(O)c1O ZINC000587786219 EF Annotated Clean COc1cc(/C=C/c2nc3c(S)nc(S)nc3[nH]2)cc(O)c1O ZINC000587786226 EF Annotated Clean COc1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc(OC)c1O ZINC000587786235 EF Annotated Anodyne COc1ccc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(OC)c1C ZINC000587786255 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccc(OC)c(C)c3OC)nc12 ZINC000587786309 EF Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(C#N)nc(Cl)cc3[nH]2)c1OC ZINC000587786634 EF Annotated Mild COc1cc(/C=C\c2nc3cc(C#N)c(C#N)cc3[nH]2)cc(O)c1O ZINC000587786706 EF Annotated Mild COc1cc(/C=C/c2nc3cc(C#N)c(C#N)cc3[nH]2)cc(O)c1O ZINC000587786709 EF Annotated Mild COc1cc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc(OC)c1O ZINC000587786975 EF Annotated Anodyne COc1cc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc(OC)c1O ZINC000587786977 EF Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(OC)c3O)[nH]c2c1OC ZINC000587787046 EF Annotated Anodyne COc1ccc(C=O)c(-c2nc3cc(C#N)c(C#N)cc3[nH]2)c1OC ZINC000587787227 EF Annotated Mild COc1ccc(C=O)c(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)c1OC ZINC000587787299 EF Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587787390 EF Annotated Anodyne COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3ncnc(Cl)c3[nH]2)cc1 ZINC000587787436 EF Annotated Anodyne COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3ncnc(Cl)c3[nH]2)cc1 ZINC000587787437 EF Annotated Anodyne COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3ncnc(Cl)c3[nH]2)cc1 ZINC000587787439 EF Annotated Anodyne COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3ncnc(Cl)c3[nH]2)cc1 ZINC000587787440 EF Annotated Anodyne COc1cccc(C)c1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587787449 EF Annotated Anodyne COc1ccc(C=O)c(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)c1OC ZINC000587787678 EF Annotated Anodyne COc1ccc(C=O)c(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)c1OC ZINC000587787682 EF Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(C=O)ccc3OC)[nH]c2c1OC ZINC000587787781 EF Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587787847 EF Annotated Bother COc1ccc(C=O)c(-c2nc3cc4c(cc3[nH]2)OCO4)c1OC ZINC000587787923 EF Annotated Anodyne COc1ccc(C=O)cc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587787935 EF Annotated Anodyne COc1cc(-c2nc3cc(Cl)nc(C#N)c3[nH]2)cc(OC)c1O ZINC000587788054 EF Annotated Mild COC(=O)c1cc2[nH]c(-c3cc(C=O)ccc3OC)nc2cc1OC ZINC000587788188 EF Annotated Anodyne COc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)c(OC)c1C ZINC000587788267 EF Annotated Anodyne COc1ccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(OC)c1C ZINC000587788308 EF Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(OC)c(C)c3OC)[nH]c2n1 ZINC000587788328 EF Annotated Anodyne COCC1(COC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789341 EF Annotated Anodyne COCC1(COC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789353 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN3CC[C@H]2C3)N1 ZINC000587789501 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CN3CC[C@H]2C3)N1 ZINC000587789503 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN3CC[C@H]2C3)N1 ZINC000587789505 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN3CC[C@H]2C3)N1 ZINC000587789507 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CC[C@H]2CNC1 ZINC000587789655 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CC[C@H]2CNC1 ZINC000587789665 EF Annotated Anodyne CC(=O)OC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790216 EF Annotated Anodyne CC(=O)OC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790218 EF Annotated Anodyne CC(=O)OC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790219 EF Annotated Anodyne CC(=O)OC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790220 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc[nH]n2)N1 ZINC000587790374 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc[nH]n2)N1 ZINC000587790376 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc[nH]n2)N1 ZINC000587790377 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc[nH]n2)N1 ZINC000587790379 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CC[C@H]2CNC1 ZINC000587790403 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CC[C@H]2CNC1 ZINC000587790405 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN3CC[C@H]2C3)N1 ZINC000587790931 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CN3CC[C@H]2C3)N1 ZINC000587790932 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN3CC[C@H]2C3)N1 ZINC000587790933 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN3CC[C@H]2C3)N1 ZINC000587790934 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc[nH]n2)N1 ZINC000587791072 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc[nH]n2)N1 ZINC000587791073 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc[nH]n2)N1 ZINC000587791075 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc[nH]n2)N1 ZINC000587791077 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)NC2(C)C)N1 ZINC000587791480 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)NC2(C)C)N1 ZINC000587791482 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)NC2(C)C)N1 ZINC000587791483 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)NC2(C)C)N1 ZINC000587791485 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCNC2)N1 ZINC000587791533 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCNC2)N1 ZINC000587791535 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCNC2)N1 ZINC000587791537 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCNC2)N1 ZINC000587791540 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCNC2)N1 ZINC000587791597 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCNC2)N1 ZINC000587791600 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCNC2)N1 ZINC000587791604 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCNC2)N1 ZINC000587791606 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=Cn3ncnc32)N1 ZINC000587792472 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=Cn3ncnc32)N1 ZINC000587792473 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=Cn3ncnc32)N1 ZINC000587792474 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=Cn3ncnc32)N1 ZINC000587792475 EF Annotated Anodyne COC(OC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792759 EF Annotated Anodyne COC(OC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792763 EF Annotated Anodyne COC(OC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792764 EF Annotated Anodyne COC(OC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792765 EF Annotated Anodyne CC(=O)OC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792848 EF Annotated Anodyne CC(=O)OC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792851 EF Annotated Anodyne CC(=O)OC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792855 EF Annotated Anodyne CC(=O)OC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792856 EF Annotated Anodyne COCC1(COC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793302 EF Annotated Anodyne COCC1(COC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793303 EF Annotated Anodyne COCC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793374 EF Annotated Anodyne COCC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793377 EF Annotated Anodyne COCC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793379 EF Annotated Anodyne COCC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793381 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=Cn3ncnc32)N1 ZINC000587794442 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=Cn3ncnc32)N1 ZINC000587794445 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=Cn3ncnc32)N1 ZINC000587794447 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=Cn3ncnc32)N1 ZINC000587794449 EF Annotated Anodyne COC(OC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795009 EF Annotated Anodyne COC(OC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795011 EF Annotated Anodyne COC(OC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795013 EF Annotated Anodyne COC(OC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795015 EF Annotated Anodyne COCC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795656 EF Annotated Anodyne COCC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795657 EF Annotated Anodyne COCC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795658 EF Annotated Anodyne COCC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795659 EF Annotated Anodyne COc1ccc(C=O)c(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)c1OC ZINC000587796111 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNC[C@H]2C)N1 ZINC000587796654 EF Annotated Anodyne C[C@H]1CNCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587796655 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNC[C@H]2C)N1 ZINC000587796656 EF Annotated Anodyne C[C@H]1CNCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587796657 EF Annotated Anodyne COC[C@@]1(CC(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796748 EF Annotated Anodyne COC[C@]1(CC(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796750 EF Annotated Anodyne COC[C@@]1(CC(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796751 EF Annotated Anodyne COC[C@]1(CC(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796752 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)nn2)N1 ZINC000587796809 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)nn2)N1 ZINC000587796811 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)nn2)N1 ZINC000587796812 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)nn2)N1 ZINC000587796813 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)nn2)N1 ZINC000587796824 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)nn2)N1 ZINC000587796825 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)nn2)N1 ZINC000587796826 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)nn2)N1 ZINC000587796827 EF Annotated Anodyne COc1ccc(C=O)c(-c2nc3c([N+](=O)[O-])cccc3[nH]2)c1OC ZINC000587796902 EF Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNC[C@H]2C)N1 ZINC000587797326 EF Annotated Anodyne C[C@H]1CNCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587797328 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNC[C@H]2C)N1 ZINC000587797329 EF Annotated Anodyne C[C@H]1CNCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587797330 EF Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797654 EF Annotated Anodyne CCOC(=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797655 EF Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797656 EF Annotated Anodyne CCOC(=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797657 EF Annotated Anodyne COC[C@@]1(CC(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797828 EF Annotated Anodyne COC[C@]1(CC(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797829 EF Annotated Anodyne COC[C@@]1(CC(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797830 EF Annotated Anodyne COC[C@]1(CC(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797831 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)NC2(C)C)N1 ZINC000587797906 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)NC2(C)C)N1 ZINC000587797907 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)NC2(C)C)N1 ZINC000587797908 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)NC2(C)C)N1 ZINC000587797909 EF Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800480 EF Annotated Anodyne CCOC(=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800481 EF Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800482 EF Annotated Anodyne CCOC(=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800483 EF Annotated Anodyne COC(=O)/C=C/[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803482 EF Annotated Anodyne COC(=O)/C=C/[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803485 EF Annotated Anodyne COC(=O)/C=C/[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803486 EF Annotated Anodyne COC(=O)/C=C/[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803488 EF Annotated Anodyne COC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804649 EF Annotated Anodyne COC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804652 EF Annotated Anodyne COC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804655 EF Annotated Anodyne COC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804657 EF Annotated Anodyne CC[C@]1(C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806008 EF Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806009 EF Annotated Anodyne CC[C@]1(C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806010 EF Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806012 EF Annotated Anodyne Cc1[nH]nc(O)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806138 EF Annotated Anodyne Cc1[nH]nc(O)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806139 EF Annotated Anodyne Cc1[nH]nc(O)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806140 EF Annotated Anodyne Cc1[nH]nc(O)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806141 EF Annotated Anodyne COC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807158 EF Annotated Anodyne COC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807160 EF Annotated Anodyne COC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807162 EF Annotated Anodyne COC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807164 EF Annotated Anodyne COC(=O)C1CC2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587807597 EF Annotated Anodyne COC(=O)C1CC2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587807598 EF Annotated Anodyne Cc1[nH]nc(O)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808316 EF Annotated Anodyne Cc1[nH]nc(O)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808317 EF Annotated Anodyne Cc1[nH]nc(O)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808318 EF Annotated Anodyne Cc1[nH]nc(O)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808319 EF Annotated Anodyne COC(=O)C1CC2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809084 EF Annotated Anodyne COC(=O)C1CC2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809085 EF Annotated Anodyne COC(=O)/C=C/[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810657 EF Annotated Anodyne COC(=O)/C=C/[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810659 EF Annotated Anodyne COC(=O)/C=C/[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810662 EF Annotated Anodyne COC(=O)/C=C/[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810665 EF Annotated Anodyne CC[C@]1(C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810738 EF Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810740 EF Annotated Anodyne CC[C@]1(C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810742 EF Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810743 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(C2CC2)N1 ZINC000587825290 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(C2CC2)N1 ZINC000587825291 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(C2CC2)N1 ZINC000587825392 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(C2CC2)N1 ZINC000587825393 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCC(=O)C(=O)O)N1 ZINC000587825418 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCC(=O)C(=O)O)N1 ZINC000587825419 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCC(=O)C(=O)O)N1 ZINC000587825420 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCC(=O)C(=O)O)N1 ZINC000587825421 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(C(=O)O)C2)N1 ZINC000587825675 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(C(=O)O)C2)N1 ZINC000587825676 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(C2CC2)N1 ZINC000587827254 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(C2CC2)N1 ZINC000587827255 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(C2CC2)N1 ZINC000587827256 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(C2CC2)N1 ZINC000587827257 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(C(=O)O)C2)N1 ZINC000587827480 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(C(=O)O)C2)N1 ZINC000587827481 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCC(=O)C(=O)O)N1 ZINC000587830209 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCC(=O)C(=O)O)N1 ZINC000587830210 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCC(=O)C(=O)O)N1 ZINC000587830211 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCC(=O)C(=O)O)N1 ZINC000587830212 EF Annotated Anodyne C[C@@H]1OC=CC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587830412 EF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C=CO[C@@H]2C ZINC000587830444 EF Annotated Mild C[C@@H]1OC=CC(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587830445 EF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C=CO[C@@H]2C ZINC000587830446 EF Annotated Mild C[C@@H]1OC=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587831643 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CO[C@H](C)C2=O)N1 ZINC000587831644 EF Annotated Anodyne C[C@@H]1OC=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587831645 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CO[C@H](C)C2=O)N1 ZINC000587831646 EF Annotated Anodyne C[C@@H]1OC(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1C ZINC000587832490 EF Annotated Anodyne C[C@@H]1OC(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]1C ZINC000587832498 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)O[C@H](C)[C@@H]2C ZINC000587832500 EF Annotated Anodyne C[C@@H]1[C@@H](C)OC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587832501 EF Annotated Anodyne C[C@@H]1OC=CC(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587833475 EF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C=CO[C@@H]2C ZINC000587833478 EF Annotated Mild C[C@@H]1OC=CC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587833481 EF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C=CO[C@@H]2C ZINC000587833484 EF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)OCC2(C)C ZINC000587833538 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)OCC2(C)C ZINC000587833541 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)OCC2(C)C ZINC000587833544 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)OCC2(C)C ZINC000587833547 EF Annotated Anodyne CC1=CC(=O)[C@]2(CO1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587833550 EF Annotated Mild CC1=CC(=O)[C@@]2(CO1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587833556 EF Annotated Mild CC1=CC(=O)[C@@]2(CO1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587833557 EF Annotated Mild CC1=CC(=O)[C@]2(CO1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587833560 EF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)OC[C@@H]2C ZINC000587833657 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)OC[C@@H]2C ZINC000587833658 EF Annotated Anodyne C[C@@H]1COC(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833659 EF Annotated Anodyne C[C@@H]1COC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833660 EF Annotated Anodyne C[C@@H]1OC=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587833676 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CO[C@H](C)C2=O)N1 ZINC000587833677 EF Annotated Anodyne C[C@@H]1OC=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587833679 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CO[C@H](C)C2=O)N1 ZINC000587833680 EF Annotated Anodyne C[C@@H]1OC(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1C ZINC000587833805 EF Annotated Anodyne C[C@@H]1OC(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]1C ZINC000587833816 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)O[C@H](C)[C@@H]2C ZINC000587833819 EF Annotated Anodyne C[C@@H]1[C@@H](C)OC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833821 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CO[C@H]2CCOC2)N1 ZINC000587834663 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CO[C@H]2CCOC2)N1 ZINC000587834664 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CO[C@@H]2CCOC2)N1 ZINC000587834666 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CO[C@@H]2CCOC2)N1 ZINC000587834667 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CO[C@H]2CCOC2)N1 ZINC000587834669 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CO[C@@H]2CCOC2)N1 ZINC000587834670 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CO[C@H]2CCOC2)N1 ZINC000587834672 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CO[C@@H]2CCOC2)N1 ZINC000587834673 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)OCC2(C)C ZINC000587835216 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)OCC2(C)C ZINC000587835218 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)OCC2(C)C ZINC000587835220 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)OCC2(C)C ZINC000587835222 EF Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)CO1 ZINC000587835535 EF Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)CO1 ZINC000587835536 EF Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)CO1 ZINC000587835537 EF Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)CO1 ZINC000587835538 EF Annotated Anodyne CO[C@@H]1COCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587835824 EF Annotated Anodyne CO[C@@H]1COCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587835826 EF Annotated Anodyne CO[C@@H]1COCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587835827 EF Annotated Anodyne CO[C@@H]1COCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587835829 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)OC[C@@H]2C ZINC000587835831 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)OC[C@@H]2C ZINC000587835832 EF Annotated Anodyne C[C@@H]1COC(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587835834 EF Annotated Anodyne C[C@@H]1COC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587835835 EF Annotated Anodyne CC1=CC(=O)[C@@]2(CO1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587835859 EF Annotated Mild CC1=CC(=O)[C@]2(CO1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587835860 EF Annotated Mild CC1=CC(=O)[C@]2(CO1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587835861 EF Annotated Mild CC1=CC(=O)[C@@]2(CO1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587835862 EF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCOC2=O)N1 ZINC000587835873 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCOC2=O)N1 ZINC000587835874 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCOC2=O)N1 ZINC000587835875 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCOC2=O)N1 ZINC000587835876 EF Annotated Anodyne CO[C@@H]1COCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587836413 EF Annotated Anodyne CO[C@@H]1COCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587836414 EF Annotated Anodyne CO[C@@H]1COCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587836415 EF Annotated Anodyne CO[C@@H]1COCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587836416 EF Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)CO1 ZINC000587836490 EF Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)CO1 ZINC000587836491 EF Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)CO1 ZINC000587836492 EF Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)CO1 ZINC000587836494 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](COC2COC2)N1 ZINC000587836631 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](COC2COC2)N1 ZINC000587836632 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](COC2COC2)N1 ZINC000587836633 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](COC2COC2)N1 ZINC000587836634 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](COC2COC2)N1 ZINC000587836671 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](COC2COC2)N1 ZINC000587836672 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](COC2COC2)N1 ZINC000587836673 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](COC2COC2)N1 ZINC000587836674 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CO[C@H]2CCOC2)N1 ZINC000587836861 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CO[C@H]2CCOC2)N1 ZINC000587836862 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CO[C@@H]2CCOC2)N1 ZINC000587836863 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CO[C@@H]2CCOC2)N1 ZINC000587836864 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CO[C@H]2CCOC2)N1 ZINC000587836865 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CO[C@@H]2CCOC2)N1 ZINC000587836866 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CO[C@H]2CCOC2)N1 ZINC000587836867 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CO[C@@H]2CCOC2)N1 ZINC000587836868 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCOC2=O)N1 ZINC000587836885 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCOC2=O)N1 ZINC000587836886 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCOC2=O)N1 ZINC000587836887 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCOC2=O)N1 ZINC000587836888 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=COC2=O)N1 ZINC000587837435 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=COC2=O)N1 ZINC000587837436 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=COC2=O)N1 ZINC000587837437 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=COC2=O)N1 ZINC000587837438 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=COC2=O)N1 ZINC000587837447 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=COC2=O)N1 ZINC000587837448 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=COC2=O)N1 ZINC000587837449 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=COC2=O)N1 ZINC000587837450 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@H]3CO[C@@H]2O3)N1 ZINC000587838799 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@H]3CO[C@@H]2O3)N1 ZINC000587838800 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@H]3CO[C@@H]2O3)N1 ZINC000587838801 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@H]3CO[C@@H]2O3)N1 ZINC000587838802 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@H]3CO[C@@H]2O3)N1 ZINC000587839034 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@H]3CO[C@@H]2O3)N1 ZINC000587839035 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@H]3CO[C@@H]2O3)N1 ZINC000587839036 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@H]3CO[C@@H]2O3)N1 ZINC000587839037 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CO[C@@H](C2)O3)N1 ZINC000587842091 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CO[C@@H](C2)O3)N1 ZINC000587842093 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CO[C@@H](C2)O3)N1 ZINC000587842096 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CO[C@@H](C2)O3)N1 ZINC000587842098 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@H]3CO[C@H]2O3)N1 ZINC000587842146 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@H]3CO[C@H]2O3)N1 ZINC000587842148 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@H]3CO[C@H]2O3)N1 ZINC000587842150 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@H]3CO[C@H]2O3)N1 ZINC000587842152 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@H]3CO[C@H]2O3)N1 ZINC000587842166 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@H]3CO[C@H]2O3)N1 ZINC000587842169 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@H]3CO[C@H]2O3)N1 ZINC000587842171 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@H]3CO[C@H]2O3)N1 ZINC000587842172 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CO[C@@H](C2)O3)N1 ZINC000587844291 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CO[C@@H](C2)O3)N1 ZINC000587844292 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CO[C@@H](C2)O3)N1 ZINC000587844293 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CO[C@@H](C2)O3)N1 ZINC000587844295 EF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCS(=O)CC2)N1 ZINC000587845665 EF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCS(=O)CC2)N1 ZINC000587845669 EF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCS(=O)CC2)N1 ZINC000587847349 EF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCS(=O)CC2)N1 ZINC000587847350 EF Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nncn1N ZINC000587860070 EF Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NN ZINC000587861192 EF Annotated Anodyne CCOC(=O)C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587861860 EF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCCO ZINC000587862211 EF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C[C@@H](C)O ZINC000587862382 EF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C[C@H](C)O ZINC000587862383 EF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(C)(C)O ZINC000587862452 EF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnc[nH]1 ZINC000587863297 EF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc[nH]n1 ZINC000587863524 EF Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCO ZINC000587863857 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccon1 ZINC000587867363 EF Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NN ZINC000587867463 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)OC ZINC000587867521 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)OC ZINC000587867522 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCN(C)C ZINC000587867532 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1(C#N)CC1 ZINC000587867820 EF Annotated Mild CCNCCC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587867872 EF Annotated Anodyne CCOCC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587867883 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnco1 ZINC000587868136 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=N)c1ccncn1 ZINC000587868224 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cocn1 ZINC000587868230 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1cncnc1 ZINC000587868237 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1cnccn1 ZINC000587868260 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(F)cn1 ZINC000587868301 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ncccn1 ZINC000587868417 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CCCO1 ZINC000587868494 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CCCO1 ZINC000587868495 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccnnc1 ZINC000587868662 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1cccnn1 ZINC000587868844 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CCOC1 ZINC000587868880 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CCOC1 ZINC000587868881 EF Annotated Anodyne CCCNC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587868953 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)NC1CC1 ZINC000587868977 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)NCC1CC1 ZINC000587869002 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)N(C)C ZINC000587869294 EF Annotated Anodyne CCNC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587869501 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCS ZINC000587869525 EF Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSC ZINC000587869698 EF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NC1CC1 ZINC000587869728 EF Annotated Anodyne C=CCNC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587869773 EF Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc[nH]1 ZINC000587870102 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cncnc1C ZINC000587870184 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(O)nc1 ZINC000587870217 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(=N)[nH]c1 ZINC000587870417 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cc(Cl)[nH]c(=N)n1 ZINC000587870634 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnc(C)cn1 ZINC000587870704 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CC1(C)OCCO1 ZINC000587870757 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccncc1N ZINC000587870828 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc[nH]c(=N)c1 ZINC000587870851 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)OCCOC ZINC000587871089 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)OCCOC ZINC000587871090 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)n(C)n1 ZINC000587871333 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cn(C)nc1C ZINC000587871397 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccnc(N(C)C)n1 ZINC000587871461 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cc(C)cn1 ZINC000587871632 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccnn1CC ZINC000587871695 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1sc(=N)[nH]c1C ZINC000587871807 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCCCOC ZINC000587871827 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)nn1C ZINC000587871876 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2c1cnn2C ZINC000587871987 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)N[C@H](C)COC ZINC000587872161 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)N[C@@H](C)COC ZINC000587872162 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnn(CC)c1 ZINC000587872271 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c(N)cnn1CC ZINC000587872444 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C(C)(C)n1cncn1 ZINC000587872455 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(CC)cc1N ZINC000587872527 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)N=c1cc[nH]cc1 ZINC000587872533 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1[C@@]1(C)CCS(=O)(=O)C1 ZINC000587872550 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1[C@]1(C)CCS(=O)(=O)C1 ZINC000587872551 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1snnc1C ZINC000587872598 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(CC)n1 ZINC000587872637 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1ccc(C)n1 ZINC000587872657 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnn(C)c1C ZINC000587872727 EF Annotated Anodyne O=C(NCC(=O)n1nc2cc1oc1ccc(F)cc21)c1ccccc1 ZINC000587872982 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1n[nH]c2c1CCC2 ZINC000587873039 EF Annotated Anodyne C=C1C=C(n2nc(-c3cccc(F)c3)cc2OCC)c2nncn2N1 ZINC000587873093 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1nccc1C ZINC000587873145 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1csc(=N)[nH]1 ZINC000587873188 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc2nnc(C)n2n1 ZINC000587873248 EF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1ccccc1=O ZINC000587873258 EF Annotated Anodyne Cn1nc(Br)nc1-n1nc2cc1oc1ccc(F)cc21 ZINC000587873292 EF Annotated Anodyne O=C(c1[nH]nc([N+](=O)[O-])c1Cl)n1nc2cc1oc1ccc(F)cc21 ZINC000587873729 EF Annotated Bother CC(=O)Nc1cncc(C(=O)n2nc3cc2oc2ccc(F)cc32)c1 ZINC000587874202 EF Annotated Anodyne N=c1nc(-c2ccccn2)nc(-n2nc3cc2oc2ccc(F)cc32)[nH]1 ZINC000587874491 EF Annotated Anodyne Cc1nn(C)c(C(=O)n2nc3cc2oc2ccc(F)cc32)c1[N+](=O)[O-] ZINC000587874522 EF Annotated Bother Cc1nn(CC(=O)n2nc3cc2oc2ccc(F)cc32)cc1[N+](=O)[O-] ZINC000587874648 EF Annotated Bother Cc1c([N+](=O)[O-])c(C(=O)n2nc3cc2oc2ccc(F)cc32)nn1C ZINC000587874697 EF Annotated Bother NN=c1[nH]nc(-n2nc3cc2oc2ccc(F)cc32)c2ccccc12 ZINC000587874728 EF Annotated Anodyne C[C@H](CN1CCOCC1)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874908 EF Annotated Anodyne C[C@@H](CN1CCOCC1)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874913 EF Annotated Anodyne CC(C)n1c(O)nc(-n2nc3cc2oc2ccc(F)cc32)cc1=O ZINC000587874919 EF Annotated Anodyne C=CCNCC(=C)C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587875251 EF Annotated Mild Cc1cc([N+](=O)[O-])nn1CC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587875432 EF Annotated Bother O=C(CCn1ccc([N+](=O)[O-])n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875586 EF Annotated Bother CCn1cc([N+](=O)[O-])c(C(=O)n2nc3cc2oc2ccc(F)cc32)n1 ZINC000587875597 EF Annotated Bother CCCn1c(O)nc(-n2nc3cc2oc2ccc(F)cc32)cc1=O ZINC000587875730 EF Annotated Anodyne CCCCn1c(O)nc(-n2nc3cc2oc2ccc(F)cc32)cc1=O ZINC000587875762 EF Annotated Anodyne CC(C)Cn1c(O)nc(-n2nc3cc2oc2ccc(F)cc32)cc1=O ZINC000587875823 EF Annotated Anodyne Fc1ccc2oc3cc(nn3-c3nccc(N4CCOCC4)n3)c2c1 ZINC000587875840 EF Annotated Anodyne C[C@H](C(=O)n1nc2cc1oc1ccc(F)cc21)n1cc([N+](=O)[O-])cn1 ZINC000587875949 EF Annotated Bother C[C@@H](C(=O)n1nc2cc1oc1ccc(F)cc21)n1cc([N+](=O)[O-])cn1 ZINC000587875952 EF Annotated Bother O=C(CCn1cc([N+](=O)[O-])cn1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876085 EF Annotated Bother Cc1nc([N+](=O)[O-])cn1CC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587876086 EF Annotated Bother O=C(Cc1cc(O)nc(S)n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876173 EF Annotated Anodyne NS(=O)(=O)c1cccc(-n2nc3cc2oc2ccc(F)cc32)c1 ZINC000587876218 EF Annotated Anodyne Cc1nnc2n1C[C@@H](C(=O)n1nc3cc1oc1ccc(F)cc31)CC2 ZINC000587876298 EF Annotated Anodyne Cc1nnc2n1C[C@H](C(=O)n1nc3cc1oc1ccc(F)cc31)CC2 ZINC000587876300 EF Annotated Anodyne O=C1CCCCCN1CC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587876337 EF Annotated Anodyne O=C(CCCN1CCOCC1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876345 EF Annotated Anodyne O=C(c1cccc(-n2cnnn2)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876352 EF Annotated Anodyne NS(=O)(=O)c1ccccc1-n1nc2cc1oc1ccc(F)cc21 ZINC000587876573 EF Annotated Anodyne CC(=O)N1CCC[C@@H](C(=O)n2nc3cc2oc2ccc(F)cc32)C1 ZINC000587876955 EF Annotated Anodyne CC(=O)N1CCC[C@H](C(=O)n2nc3cc2oc2ccc(F)cc32)C1 ZINC000587876959 EF Annotated Anodyne O=C(c1ccc(-n2cnnn2)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876971 EF Annotated Anodyne O=S1(=O)N=C(n2nc3cc2oc2ccc(F)cc32)c2ccccc21 ZINC000587877047 EF Annotated Anodyne Nc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587877971 EF Annotated Mild O=Cc1[nH]ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880014 EF Annotated Mild N=c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc[nH]1 ZINC000587881786 EF Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c[nH]c1=N ZINC000587885632 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000587899577 EF Annotated Mild COC(=O)c1cc(N)c(N)c(C#Cc2cc(Cl)ccc2OC)c1 ZINC000587900083 EF Annotated Mild COc1ccc(C#Cc2cc(Cl)ccc2OC)c([C@H](N)C(=O)O)c1 ZINC000587900238 EF Annotated Mild COc1ccc(C#Cc2cc(Cl)ccc2OC)c([C@@H](N)C(=O)O)c1 ZINC000587900239 EF Annotated Mild COc1ccc(C#Cc2cc(Cl)ccc2OC)c(-c2nn[nH]n2)c1 ZINC000587900539 EF Annotated Mild COC(=O)c1ccc(N)c(C#Cc2cc(Cl)ccc2OC)c1O ZINC000587900745 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc([N+](=O)[O-])c1N ZINC000587900822 EF Annotated Mild CCOC(=O)c1nn(C)c(OC)c1C#Cc1cc(Cl)ccc1OC ZINC000587902567 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn(-c2ncccn2)c1N ZINC000587902666 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn(C[C@@H](N)N=O)c1C ZINC000587902703 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn(C[C@H](N)N=O)c1C ZINC000587902704 EF Annotated Mild COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)c(O)nc1C ZINC000587902791 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1N1CCNCC1=O ZINC000587902810 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1-n1cc(CO)nn1 ZINC000587902889 EF Annotated Mild COC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)c(C#N)n1 ZINC000587903033 EF Annotated Mild COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)c(C=O)n1C ZINC000587903035 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1c(N2CCCC2)cnnc1O ZINC000587903093 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1[C@H]1NCCNC1=O ZINC000587903212 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1[C@@H]1NCCNC1=O ZINC000587903213 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1c(OCC2CC2)n[nH]c1C(=O)O ZINC000587903290 EF Annotated Mild C=CCOc1c(C#Cc2cc(Cl)ccc2OC)c(C(=O)O)nn1C ZINC000587903302 EF Annotated Mild CCOC(=O)c1c(C#Cc2cc(Cl)ccc2OC)c(C)nn1C ZINC000587903335 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1c(CN2CCOCC2)n[nH]c1C ZINC000587903405 EF Annotated Mild CCOC(=O)c1c[nH]c(=N)c(C#Cc2cc(Cl)ccc2OC)c1 ZINC000587903535 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1c(OC(C)C)n[nH]c1C(=O)O ZINC000587903659 EF Annotated Mild CCOC(=O)c1[nH]c(=N)ccc1C#Cc1cc(Cl)ccc1OC ZINC000587903793 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccnc(N2CCNCC2)c1 ZINC000587905138 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@H]2CNCCN2)cc1 ZINC000587906367 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@@H]2CNCCN2)cc1 ZINC000587906368 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(O)nc(=N)[nH]c2c1 ZINC000587907171 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1CO)OCC(=O)N2 ZINC000587907234 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2[nH]c3[nH]c(=N)nnc3c2c1 ZINC000587907327 EF Annotated Mild COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)cc2nn[nH]c12 ZINC000587907379 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1[N+](=O)[O-])C(=O)NC2 ZINC000587907504 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1N)OCC(=O)N2 ZINC000587907577 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N2CC[C@@H](O)C2)nc1 ZINC000587907600 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1N)n(C)c(=O)n2C ZINC000587907893 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1c[nH]c(=NCCN(C)C)cc1C ZINC000587908229 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N2CCC(=O)CC2)nc1 ZINC000587908256 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(O[C@H]2CCCNC2)nc1 ZINC000587908300 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(O[C@@H]2CCCNC2)nc1 ZINC000587908302 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1c[nH]c(=NCCCO)cc1C ZINC000587908305 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(=NCCCCN)[nH]c1 ZINC000587908444 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(OC2CCNCC2)nc1 ZINC000587908513 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(Cn2cc(C#N)cn2)c1 ZINC000587908806 EF Annotated Mild CN=c1[nH]cc(C#Cc2cc(Cl)ccc2OC)c(C)c1[N+](=O)[O-] ZINC000587908962 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N2CCNCC2)c(C)c1 ZINC000587909027 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(CC(=O)O)nc1C1CC1 ZINC000587909209 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(Cc2noc(C)n2)c1 ZINC000587909452 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(CC2CCNCC2)c1 ZINC000587909455 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)c(=O)oc(=O)n2C ZINC000587909546 EF Annotated Mild CCOC(=O)Cn1cc(C#Cc2cc(Cl)ccc2OC)c(C)n1 ZINC000587909626 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC)c2c1C(=O)C(=O)N2 ZINC000587909859 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2c(c1C=O)OCCO2 ZINC000587910175 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N)c(N2CCOCC2)n1 ZINC000587910465 EF Annotated Mild CCN(CC)c1nc(C#Cc2cc(Cl)ccc2OC)cnc1N ZINC000587910476 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N)c(Br)n1 ZINC000587910490 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)nc(=N)[nH]1 ZINC000587910541 EF Annotated Mild COC(=O)c1cnc(C#Cc2cc(Cl)ccc2OC)c([N+](=O)[O-])c1 ZINC000587910671 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(Br)c[nH]c1=O ZINC000587910683 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(C(=O)O)ccc1[N+](=O)[O-] ZINC000587910767 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1c[nH]c(=O)c(Br)n1 ZINC000587910856 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2nc(O)oc(=O)c12 ZINC000587910970 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C#N)cnn1-c1ncccn1 ZINC000587911361 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2c(=O)oc(O)nc12 ZINC000587911647 EF Annotated Mild COc1cc(C#Cc2cc(Cl)ccc2OC)c2c(c1)NC(=O)C2=O ZINC000587911661 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1c(OC)ncc2c(=O)cc[nH]c12 ZINC000587911677 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc2nn[nH]c12 ZINC000587911795 EF Annotated Mild COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)c2[nH]nnc2c1 ZINC000587911815 EF Annotated Mild C=C1NC(=O)n2nc(C)c(C#Cc3cc(Cl)ccc3OC)c2N1 ZINC000587911867 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C(=O)N[C@@H](C)C(=O)O)o1 ZINC000587911982 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C(=O)N[C@H](C)C(=O)O)o1 ZINC000587911983 EF Annotated Mild COc1ccc(Cl)cc1C#CC1=C(Br)COC1=O ZINC000587912125 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1[nH]nc2ncc([N+](=O)[O-])cc12 ZINC000587912192 EF Annotated Mild COC(=O)c1nc(C#Cc2cc(Cl)ccc2OC)cn2ccnc12 ZINC000587912215 EF Annotated Mild COc1ccc(Cl)cc1C#CC1=C(Br)C(=O)OC1 ZINC000587912266 EF Annotated Mild COc1ccc(Cl)cc1C#CC1=C[C@H]2O[C@H]2[C@@H]2OC(C)(C)O[C@H]12 ZINC000587912387 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c2nncn2c1 ZINC000587912431 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1c(OC)cnn(C(C)C)c1=O ZINC000587912595 EF Annotated Mild CCN=c1[nH]nc2ccc(C#Cc3cc(Cl)ccc3OC)cn12 ZINC000587912632 EF Annotated Mild COC(=O)c1ccc2ncc(C#Cc3cc(Cl)ccc3OC)n2n1 ZINC000587912735 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(CC(F)(F)F)[nH]c1=N ZINC000587912768 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(C)cn2nc(C(=O)O)cc12 ZINC000587912802 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(Br)c(N)n1 ZINC000587912928 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1nn(C)nc1Br ZINC000587912933 EF Annotated Mild COC(=O)c1cnn2c(C#Cc3cc(Cl)ccc3OC)ccnc12 ZINC000587912985 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)nn(C)c1N ZINC000587912989 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c2nc(C(N)=O)cn2c1 ZINC000587913212 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1[nH][nH]c(=N)c1Br ZINC000587913294 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1nn(C)c(N)c1Br ZINC000587913301 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)[nH][nH]c1=N ZINC000587913554 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1c[nH]c(=N)nc1C(F)(F)F ZINC000587915765 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1c(OC(F)F)n[nH]c1C(=O)O ZINC000587915790 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-n2cnnn2)c(F)c1 ZINC000587916251 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N2CCNCC2)c(F)c1 ZINC000587916547 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1sc(S(N)(=O)=O)cc1C ZINC000587918289 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)ccc1CS(N)(=O)=O ZINC000587918294 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1csc(N2CCNCC2)n1 ZINC000587920357 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N2C(=O)CCC2=O)s1 ZINC000587920597 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1ncsc1C1(O)CCNCC1 ZINC000587920813 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C[C@H](N)C(=O)O)s1 ZINC000587920818 EF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C[C@@H](N)C(=O)O)s1 ZINC000587920824 EF Annotated Mild CCOC(=O)c1[nH]c(=N)sc1C#Cc1cc(Cl)ccc1OC ZINC000587921331 EF Annotated Mild N#Cc1ccc(-c2csc(-c3cccc(S(N)(=O)=O)c3)n2)cc1 ZINC000587921587 EF Annotated Mild CCN(c1ccc(-c2csc(CCOC)n2)cc1)S(C)(=O)=O ZINC000587923016 EF Annotated Anodyne CCN(c1ccc(-c2csc(CCCO)n2)cc1)S(C)(=O)=O ZINC000587923640 EF Annotated Anodyne CN(c1ccc(-c2csc(-c3cncnc3)n2)cc1)S(C)(=O)=O ZINC000587923772 EF Annotated Anodyne CN(c1ccc(-c2csc([C@@H]3CCOC3)n2)cc1)S(C)(=O)=O ZINC000587923957 EF Annotated Anodyne CN(c1ccc(-c2csc([C@H]3CCOC3)n2)cc1)S(C)(=O)=O ZINC000587923958 EF Annotated Anodyne CN(c1ccc(-c2csc(-c3cnco3)n2)cc1)S(C)(=O)=O ZINC000587923992 EF Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(=N)[nH]c3)n2)cc1 ZINC000587924183 EF Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(-c3cccnc3N)n2)cc1 ZINC000587924221 EF Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(-c3cncnc3)n2)cc1 ZINC000587924425 EF Annotated Anodyne CCOc1cc(C(C)=O)c(OCC)n1-c1cc(O)cc(C(=O)O)c1 ZINC000587924833 EF Annotated Anodyne COc1cc(C)ccc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587924916 EF Annotated Anodyne COc1ccc(OC)c(-c2nc3ccc(CCO)cc3[nH]2)c1OC ZINC000587925461 EF Annotated Anodyne COc1ccc(OC)c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1OC ZINC000587925463 EF Annotated Anodyne COc1cc(C2(c3nc4c(O)nc(S)nc4[nH]3)CC2)ccc1C ZINC000587925610 EF Annotated Anodyne COc1cc(C2(c3nc4ccc(-n5cnnn5)cc4[nH]3)CC2)ccc1C ZINC000587925808 EF Annotated Anodyne COc1ccc(CCCc2nc3c(O)nc(S)nc3[nH]2)cc1OC ZINC000587925846 EF Annotated Anodyne COc1cc(C2(c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)CC2)ccc1C ZINC000587925855 EF Annotated Anodyne COc1cc(C2(c3nc4ccc(C(=O)NN)cc4[nH]3)CC2)ccc1C ZINC000587925971 EF Annotated Reactive COc1ccc(-c2cc(O)n(-c3cc(O)cc(C(=O)O)c3)c2O)cc1 ZINC000587926205 EF Annotated Anodyne COc1ccc(OC)c(-c2nc3cc4c(cc3[nH]2)OCO4)c1OC ZINC000587926554 EF Annotated Anodyne CCOc1cc(CC(C)=O)c(OCC)n1-c1cc(O)cc(C(=O)O)c1 ZINC000587926861 EF Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587926911 EF Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587926914 EF Annotated Anodyne O=C(O)c1cc(O)cc(-n2c(O)cc(Cc3ccccc3)c2O)c1 ZINC000587926951 EF Annotated Anodyne COc1ccc(Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1OC ZINC000587927118 EF Annotated Anodyne Nc1ccc(-c2cc(O)n(-c3cc(O)cc(C(=O)O)c3)c2O)cc1 ZINC000587927272 EF Annotated Anodyne COc1ccccc1-c1cc(O)n(-c2cc(O)cc(C(=O)O)c2)c1O ZINC000587927274 EF Annotated Anodyne COc1ccc(Cc2nc3c(S)nc(S)nc3[nH]2)cc1OC ZINC000587927340 EF Annotated Anodyne COc1ccc(OC)c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1OC ZINC000587927386 EF Annotated Bother O=C1Cc2c3c(n(-c4ccc(O)c(-c5ccccc5)c4)c2O1)OC(=O)C3 ZINC000587927532 EF Annotated Anodyne COc1ccc(OC)c(-c2nc3cc(C#N)c(C#N)cc3[nH]2)c1OC ZINC000587927677 EF Annotated Mild COc1ccc(C[C@@H](C)c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1OC ZINC000587927687 EF Annotated Anodyne COc1ccc(C[C@H](C)c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1OC ZINC000587927688 EF Annotated Anodyne COc1ccc(CCCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1OC ZINC000587927912 EF Annotated Anodyne COc1ccc(OC)c(-c2nc3cccc(C(=O)O)c3[nH]2)c1OC ZINC000587928074 EF Annotated Anodyne COc1ccc(OC)c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1OC ZINC000587928238 EF Annotated Bother COc1ccc(OC)c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1OC ZINC000587928243 EF Annotated Anodyne COc1ccc(OC)c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1OC ZINC000587928244 EF Annotated Anodyne COc1ccc(Cc2nc3nc(Br)c[nH]c-3n2)cc1OC ZINC000587928254 EF Annotated Anodyne COc1ccc(CCCc2nc3cc(N)c(N)cc3[nH]2)c(OC)c1 ZINC000587928374 EF Annotated Anodyne COc1ccc(CCCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c(OC)c1 ZINC000587928561 EF Annotated Anodyne COc1ccc(CCCc2nc3c(O)nc(S)nc3[nH]2)c(OC)c1 ZINC000587929082 EF Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587929863 EF Annotated Mild COc1ccccc1[C@@]1(C)C[C@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587929867 EF Annotated Mild COc1ccccc1[C@]1(C)C[C@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587929870 EF Annotated Mild COc1ccccc1[C@]1(C)C[C@@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587929872 EF Annotated Mild COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587929947 EF Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587929949 EF Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587929950 EF Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587929952 EF Annotated Anodyne COc1ccccc1-c1ccc(-c2nc3c(O)nc(=N)[nH]c3[nH]2)cc1 ZINC000587929984 EF Annotated Anodyne COc1cccc(CCc2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587930146 EF Annotated Anodyne COc1ccccc1CC(=O)c1nc2nc(Br)c[nH]c-2n1 ZINC000587930310 EF Annotated Anodyne COc1ccccc1CC(=O)c1nc2nc(C(F)(F)F)ncc2[nH]1 ZINC000587930349 EF Annotated Anodyne COc1cccc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 ZINC000587930480 EF Annotated Bother COc1cc(O)cc(-c2cccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)c2)c1 ZINC000587930507 EF Annotated Anodyne COc1ccccc1CC(=O)c1nc2cc(F)c(C(=O)O)cc2[nH]1 ZINC000587930798 EF Annotated Anodyne COc1ccccc1CC(=O)c1nc2cc3c(cc2[nH]1)CCC(=O)N3 ZINC000587930863 EF Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2c(O)nc(S)nc2[nH]1 ZINC000587930954 EF Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2c(O)nc(S)nc2[nH]1 ZINC000587930957 EF Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2c(O)nc(S)nc2[nH]1 ZINC000587930958 EF Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2c(O)nc(S)nc2[nH]1 ZINC000587930959 EF Annotated Anodyne COc1cccc(Cc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c1 ZINC000587931013 EF Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587931241 EF Annotated Reactive COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587931250 EF Annotated Reactive COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587931251 EF Annotated Reactive COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587931253 EF Annotated Reactive COc1cc(O)cc(-c2cccc(-c3nc4c[nH]c(=N)[nH]c-4n3)c2)c1 ZINC000587931393 EF Annotated Anodyne COc1cccc(C2(c3nc4nc(C#N)c(C#N)nc4[nH]3)CCCC2)c1 ZINC000587931717 EF Annotated Mild COc1ccccc1[C@]1(C)C[C@@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587932247 EF Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587932248 EF Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587932249 EF Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587932250 EF Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4c[nH]c(=N)[nH]c-4n3)c2)c1 ZINC000587932581 EF Annotated Anodyne COc1ccccc1CC(=O)c1nc2c(C#N)nc(Cl)cc2[nH]1 ZINC000587932685 EF Annotated Mild COc1cccc([C@H](C)Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000587932738 EF Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000587932739 EF Annotated Anodyne COc1cccc([C@H](C)Cc2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000587933220 EF Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000587933221 EF Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4c(N)ncnc4[nH]3)c2)c1 ZINC000587933245 EF Annotated Anodyne COc1cccc(C2(c3nc4c(O)nc(O)nc4[nH]3)CCCC2)c1 ZINC000587933867 EF Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)c2)c1 ZINC000587933870 EF Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587934013 EF Annotated Reactive COc1ccc([C@H](O)[C@H](C)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587934064 EF Annotated Bother COc1ccc([C@@H](O)[C@@H](C)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587934066 EF Annotated Bother COc1ccc([C@H](O)[C@@H](C)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587934067 EF Annotated Bother COc1ccc([C@@H](O)[C@H](C)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587934068 EF Annotated Bother COc1ccc2c(c1)CCC=C2Cc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587934256 EF Annotated Mild COc1ccc2cc([C@@H](C)c3nc4c(O)nc(=N)[nH]c4[nH]3)ccc2c1 ZINC000587934632 EF Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587934660 EF Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000587934729 EF Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000587934731 EF Annotated Anodyne COc1ccc(C2(c3nc4c[nH]c(=N)[nH]c-4n3)CC3(CCC3)C2)cc1 ZINC000587934826 EF Annotated Anodyne COc1ccc(-c2cccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)c2)cc1 ZINC000587935602 EF Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2c(O)nc(S)nc2[nH]1 ZINC000587935887 EF Annotated Anodyne COc1cc(C#N)c(OC)n1-c1cccc(C2=NC(C)(C)CO2)c1 ZINC000587936184 EF Annotated Mild COc1ccc([C@H](c2ccccc2)c2nc3c(O)nc(=N)[nH]c3[nH]2)cc1 ZINC000587936302 EF Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3c(O)nc(=N)[nH]c3[nH]2)cc1 ZINC000587936305 EF Annotated Anodyne C=C(C(=O)O)c1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O ZINC000587936819 EF Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3c[nH]c(=N)[nH]c-3n2)cc1 ZINC000587938334 EF Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3c[nH]c(=N)[nH]c-3n2)cc1 ZINC000587938335 EF Annotated Anodyne COC(=O)c1cc2nc([C@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2cn1 ZINC000587938360 EF Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2cn1 ZINC000587938361 EF Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2cn1 ZINC000587938362 EF Annotated Anodyne COC(=O)c1cc2nc([C@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2cn1 ZINC000587938363 EF Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3[nH]c(=N)[nH]c(Cl)c-3n1)CC2 ZINC000587938423 EF Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3[nH]c(=N)[nH]c(Cl)c-3n1)CC2 ZINC000587938424 EF Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000587938499 EF Annotated Bother COc1ccc([C@@H](O)[C@@H](C)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000587938500 EF Annotated Bother COc1ccc([C@@H](O)[C@H](C)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000587938502 EF Annotated Bother COc1ccc([C@H](O)[C@@H](C)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000587938503 EF Annotated Bother COC(=O)c1ccnc2[nH]c([C@H](C)[C@H](O)c3ccc(OC)cc3)nc12 ZINC000587938575 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](C)[C@H](O)c3ccc(OC)cc3)nc12 ZINC000587938576 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](C)[C@@H](O)c3ccc(OC)cc3)nc12 ZINC000587938577 EF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](C)[C@@H](O)c3ccc(OC)cc3)nc12 ZINC000587938578 EF Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000587938692 EF Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000587938693 EF Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000587938694 EF Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000587938695 EF Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2n1 ZINC000587938718 EF Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2n1 ZINC000587938719 EF Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2n1 ZINC000587938720 EF Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2n1 ZINC000587938721 EF Annotated Anodyne O=C(O)Cc1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O ZINC000587939868 EF Annotated Anodyne CCOC(=O)c1cc(C)n(-c2c[nH]cc(Br)c2=O)c1C ZINC000587939900 EF Annotated Anodyne Oc1ccc(O)n1-c1cc(Br)cnc1Br ZINC000587939903 EF Annotated Anodyne COc1cc(C)c(OC)n1-c1cc(C(=O)O)ncc1Br ZINC000587940014 EF Annotated Anodyne CN(C)[C@H](Cn1c(O)ccc1O)c1cccc(Br)c1 ZINC000587940162 EF Annotated Anodyne CN(C)[C@@H](Cn1c(O)ccc1O)c1cccc(Br)c1 ZINC000587940166 EF Annotated Anodyne COc1cc(C(C)=O)c(OC)n1-c1ccnc(Br)c1 ZINC000587940203 EF Annotated Anodyne COc1cc(C(C)=O)c(OC)n1-c1cnc(C)c(Br)n1 ZINC000587940706 EF Annotated Anodyne CCOc1ccc(OCC)n1-c1c[nH]cc(Br)c1=O ZINC000587940733 EF Annotated Anodyne O=[N+]([O-])c1ccc(-c2cc(O)n(-c3ccnc(CCl)n3)c2O)cc1 ZINC000587940879 EF Annotated Reactive CCOc1cc(CC(C)=O)c(OCC)n1-c1ccnc(CCl)n1 ZINC000587941420 EF Annotated Reactive COc1cc(C#N)c(OC)n1NCc1ccccc1Br ZINC000587941654 EF Annotated Mild CC(=O)SCc1cc(O)n(-c2ccnc(Br)c2)c1O ZINC000587941734 EF Annotated Anodyne O=c1c(Br)c[nH]cc1-n1c(O)cc(-c2ccco2)c1O ZINC000587941839 EF Annotated Anodyne CC(C)(C)Oc1ccc(O)n1-c1c[nH]cc(Br)c1=O ZINC000587942325 EF Annotated Anodyne O=C(O)c1cc(O)n(-c2cc(F)c(Br)cc2F)c1O ZINC000587943663 EF Annotated Anodyne O=C(O)Cc1cc(O)n(-c2cc(F)c(Br)cc2F)c1O ZINC000587944050 EF Annotated Anodyne CC(=O)SCc1cc(O)n(-c2n[nH]c(-c3ccccc3F)n2)c1O ZINC000587945174 EF Annotated Anodyne COc1cc(C#N)c(OC)n1[C@H](COc1cc(F)cc(F)c1)N=O ZINC000587945788 EF Annotated Mild COc1cc(C#N)c(OC)n1[C@@H](COc1cc(F)cc(F)c1)N=O ZINC000587945792 EF Annotated Mild COc1cc(C(C)=O)c(OC)n1-c1nc(N2CCCCC2)ncc1F ZINC000587946189 EF Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3c(O)nc(S)nc3[nH]1)CC2 ZINC000587946561 EF Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3c(O)nc(S)nc3[nH]1)CC2 ZINC000587946568 EF Annotated Anodyne COc1cc(C#N)c(OC)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587946826 EF Annotated Mild COc1cc(C(C)=O)c(OC)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587946894 EF Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3ccc(-n4cnnn4)cc3[nH]1)CC2 ZINC000587947284 EF Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3ccc(-n4cnnn4)cc3[nH]1)CC2 ZINC000587947289 EF Annotated Anodyne N=c1nc(O)c2nc(Cc3ccccc3Oc3ccccc3)[nH]c2[nH]1 ZINC000587949188 EF Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccnc(O)c4[nH]1)(C3)C2 ZINC000587949779 EF Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(=N)[nH]cc4[nH]1)(C3)C2 ZINC000587949799 EF Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc[nH]c(=N)c4[nH]1)(C3)C2 ZINC000587949892 EF Annotated Anodyne Oc1nc(S)nc2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc12 ZINC000587950685 EF Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cncc([N+](=O)[O-])c3[nH]2)CC1 ZINC000587950753 EF Annotated Bother CO[C@H](C)COC1CCC(c2nc3cncc([N+](=O)[O-])c3[nH]2)CC1 ZINC000587950754 EF Annotated Bother CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(N)ccnc4[nH]1)(C3)C2 ZINC000587950828 EF Annotated Anodyne COC(=O)c1cc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2cn1 ZINC000587950846 EF Annotated Anodyne COC(=O)c1cc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2cn1 ZINC000587950849 EF Annotated Anodyne N#Cc1nc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2nc1C#N ZINC000587950984 EF Annotated Mild CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(N)c(N)cc4[nH]1)(C3)C2 ZINC000587950989 EF Annotated Anodyne N=c1[nH]c2nc(COC34CC5CC(CC(C5)C3)C4)nc-2c(Cl)[nH]1 ZINC000587951425 EF Annotated Anodyne NNC(=O)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 ZINC000587951476 EF Annotated Reactive COC(=O)c1ccc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2n1 ZINC000587952690 EF Annotated Anodyne COC(=O)c1ccc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2n1 ZINC000587952691 EF Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CC1 ZINC000587952763 EF Annotated Bother CO[C@@H](C)COC1CCC(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CC1 ZINC000587952764 EF Annotated Bother Ic1cnc2[nH]c(C#Cc3ccccc3)nc2c1 ZINC000587953026 EF Annotated Mild CC1=C(c2ccc3nc(C#Cc4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587953031 EF Annotated Mild Cc1ccccc1C(C)(C)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587954830 EF Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587955541 EF Annotated Anodyne N=c1nc(O)c2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2[nH]1 ZINC000587955548 EF Annotated Anodyne N=c1nc(O)c2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2[nH]1 ZINC000587955549 EF Annotated Anodyne CCc1ccc(C(=O)CCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 ZINC000587956384 EF Annotated Anodyne CCc1ccc(C(=O)CCc2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000587957032 EF Annotated Anodyne CCc1ccc(C(=O)CCc2nc3ccc(C(=O)NN)cc3[nH]2)cc1 ZINC000587957125 EF Annotated Reactive O=C(O)Cc1ccc(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 ZINC000587958912 EF Annotated Anodyne NS(=O)(=O)c1ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1 ZINC000587958983 EF Annotated Anodyne Cc1cc2[nH]c(Cc3ccc(CC(=O)O)cc3)nc2cc1[N+](=O)[O-] ZINC000587959876 EF Annotated Bother O=C(O)Cc1ccc(Cc2nc3ccnc(Br)c3[nH]2)cc1 ZINC000587960350 EF Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000587960619 EF Annotated Anodyne CC[C@]1(Cc2nc3c(O)nc(O)nc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960628 EF Annotated Anodyne CC[C@@]1(Cc2nc3c(O)nc(O)nc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960633 EF Annotated Anodyne N#Cc1nc(Cl)cc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c12 ZINC000587960864 EF Annotated Mild NS(=O)(=O)c1cccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c12 ZINC000587961296 EF Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3cc(Br)cnc3[nH]2)cc1 ZINC000587961721 EF Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3c(Br)ccnc3[nH]2)cc1 ZINC000587961747 EF Annotated Anodyne COc1cc(OC)c2[nH]c(Cc3ccc(CC(=O)O)cc3)nc2c1 ZINC000587962042 EF Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000587962089 EF Annotated Bother O=C(O)Cc1ccc(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000587962098 EF Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3ccc(Br)nc3[nH]2)cc1 ZINC000587962107 EF Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3cncc(Br)c3[nH]2)cc1 ZINC000587962122 EF Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000587962186 EF Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587963013 EF Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587963232 EF Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587963233 EF Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587963235 EF Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587963236 EF Annotated Anodyne C[C@H](CCc1nc2c(F)cnc(Br)c2[nH]1)CC(=O)O ZINC000587963312 EF Annotated Anodyne CCCC/C=C/c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587964947 EF Annotated Anodyne CCCC/C=C\c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587964949 EF Annotated Anodyne O=C(O)/C=C/C=C\c1nc2c(C(=O)O)cc(Br)cc2[nH]1 ZINC000587965016 EF Annotated Anodyne O=C(O)/C=C/C=C/c1nc2c(C(=O)O)cc(Br)cc2[nH]1 ZINC000587965017 EF Annotated Anodyne Cc1ccc(C(=O)/C=C/c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000587965243 EF Annotated Mild Cc1ccc(C(=O)/C=C\c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000587965245 EF Annotated Mild O=C(O)/C=C/C=C\c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 ZINC000587966853 EF Annotated Bother O=C(O)/C=C/C=C/c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 ZINC000587966864 EF Annotated Bother O=C(O)/C=C/C=C\c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 ZINC000587966939 EF Annotated Bother O=C(O)/C=C/C=C/c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 ZINC000587966940 EF Annotated Bother O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cnc(C(F)(F)F)[nH]c-4n1)(C3)C2 ZINC000587968626 EF Annotated Anodyne O=C(O)/C=C/C=C\c1nc2c(I)cccc2[nH]1 ZINC000587968658 EF Annotated Anodyne O=C(O)/C=C/C=C/c1nc2c(I)cccc2[nH]1 ZINC000587968659 EF Annotated Anodyne O=C(O)/C=C/C=C\c1nc2cc(I)ccc2[nH]1 ZINC000587968732 EF Annotated Anodyne O=C(O)/C=C/C=C/c1nc2cc(I)ccc2[nH]1 ZINC000587968733 EF Annotated Anodyne O=C1COc2cc3[nH]c([C@@]45C[C@H]6C[C@@H](C4)C(=O)[C@H](C6)C5)nc3cc2N1 ZINC000587969354 EF Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2c1 ZINC000587969711 EF Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587969931 EF Annotated Anodyne O=C(O)[C@H]1C(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@@H]1C(=O)O ZINC000587969933 EF Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@H]1C(=O)O ZINC000587969934 EF Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4nc(Br)c[nH]c-4n1)(C3)C2 ZINC000587970057 EF Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4c(S)nc(S)nc4[nH]1)(C3)C2 ZINC000587970066 EF Annotated Anodyne O=C(O)/C=C/C=C/c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O ZINC000587970117 EF Annotated Clean O=C(O)/C=C/C=C\c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O ZINC000587970130 EF Annotated Clean NNC(=O)c1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2c1 ZINC000587970269 EF Annotated Reactive O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587970834 EF Annotated Anodyne O=C(O)[C@H]1C(c2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@@H]1C(=O)O ZINC000587970835 EF Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@H]1C(=O)O ZINC000587970836 EF Annotated Anodyne N=c1[nH]c2nc(C3(c4ccccc4)CCC(=O)CC3)nc-2c(Cl)[nH]1 ZINC000587971080 EF Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587971288 EF Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@H]1C(=O)O ZINC000587971289 EF Annotated Anodyne O=C(O)[C@H]1C(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@@H]1C(=O)O ZINC000587971290 EF Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@H]1[C@]1(O)C/C(C)=C/CC/C(C)=C/CC[C@@]2(CO)O1 ZINC000059046734 EF Annotated Mild CCCCOC(=O)C1=C(c2c(C)[nH]c3ccccc23)C(=O)N(C)C1=O ZINC000059086450 EF Annotated Anodyne C=C[C@H]1C(C)(C)C(=O)[C@@H]2CC=C3C(=O)O[C@@H]4[C@@H](C(C)=O)[C@@]1(C)[C@H]2[C@H]34 ZINC000059126463 EF Annotated Mild C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)C[C@H](O)C[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000059206137 EF Annotated Mild in-vitro CC(C)(C)c1cc(F)ccc1OC[C@@H]1CCN(C(=O)CC(=O)O)C1 ZINC000059257345 EF Annotated Anodyne CC(C)(C)c1cc(F)ccc1OC[C@H]1CCN(C(=O)CC(=O)O)C1 ZINC000059257346 EF Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/CCOC1=O ZINC000059586318 EF Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@](C)(CO)C(=O)CC[C@@]2(C)[C@@H]1/C=C/C1=COCC1=O ZINC000059586452 EF Annotated Mild in-vitro biogenic Cc1occc1C1=CC[C@H]2[C@@H](CC=C3C[C@@H](O)[C@H](O)C[C@@]32C)C(=O)O1 ZINC000059586616 EF Annotated Anodyne in-vitro biogenic C=C1C=C(C(=O)OCC)Oc2cc3c(c(OC)c21)C[C@@H](C(C)(C)O)O3 ZINC000059589128 EF Annotated Anodyne in-vitro biogenic CO[C@@H]1c2ccc(O)cc2O[C@@H]2c3ccc4c(c3CO[C@@H]12)OCO4 ZINC000059727840 EF Annotated Anodyne C=C1CC[C@H]2O[C@]2(CO)C[C@H]2O[C@@]23[C@H](C(C)(C)O)CC[C@@]3(C)CC1 ZINC000059779223 EF Annotated Mild COCCNC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@H]12 ZINC000059808078 EF Annotated Clean COCCNC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@@H]21 ZINC000059808081 EF Annotated Clean CCN1CCN(C(=O)c2cc(COc3c(C)cccc3C)on2)CC1 ZINC000059924875 EF Annotated Anodyne CN1C(c2ccccc2)=CC(=O)C(O)=C(c2ccccc2)S1(=O)=O ZINC000006001729 EF Annotated Mild O=C1Sc2ccc(Br)cc2C(=O)N2CSC[C@H]12 ZINC000006002951 EF Annotated Anodyne O=C1N/C(=N/N=C/c2c[nH]c3ccccc23)N/C1=C\c1cccs1 ZINC000006009788 EF Annotated Mild COc1ccc(CC(=O)N2CC[C@]3(C)CC(=O)CC=C23)cc1OC ZINC000006009925 EF Annotated Anodyne C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)Nc1cccc(F)c1)C(=O)N2 ZINC000006018324 EF Annotated Anodyne CSc1[nH]c2cc(Br)ccc2c1OS(=O)(=O)O ZINC000006019821 EF Annotated Anodyne in-vitro O=C1CS(=O)(=O)[C@H](c2cccc(Oc3ccccc3)c2)N1C1CC1 ZINC000006040343 EF Annotated Anodyne CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]2CC=CCCC[C@@]12O ZINC000006040517 EF Annotated Anodyne CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]2CC=CCC[C@]12O ZINC000006040519 EF Annotated Anodyne COc1cc(OC)c2c(c1OC)OC[C@@H](Cc1ccc(O)cc1)C2=O ZINC000006041860 EF Annotated Anodyne COC(=O)c1ccc(/C=N/OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000006047371 EF Annotated Mild COC(=O)c1ccc(/C=N/OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000006047373 EF Annotated Mild Cc1ncc(CO)c(/C=N/N=c2/[nH]c(-c3ccccc3)cs2)c1O ZINC000006068765 EF Annotated Mild C=C[C@@]1(C)C[C@@](O)([C@@H](O)C(=C)C)Oc2c1c(=O)oc1cccc(C)c21 ZINC000006071791 EF Annotated Mild COc1ccccc1NC(=O)/C(=N/OCc1ccc(F)cc1)C(C)=O ZINC000006078200 EF Annotated Mild Cc1ncc([N+](=O)[O-])n1CCOC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000006161067 EF Annotated Bother Cc1ccc2nsnc2c1/N=C/c1c(O)nc(O)c(C#N)c1C ZINC000006216641 EF Annotated Mild CCCOn1c(Sc2ccc(C)cc2)c(C(C)C)c(=O)[nH]c1=O ZINC000006380747 EF Annotated Anodyne CCCOn1c(Sc2cccc(C)c2)c(C(C)C)c(=O)[nH]c1=O ZINC000006380749 EF Annotated Anodyne CCCOn1c(Sc2cccc(F)c2)c(C(C)C)c(=O)[nH]c1=O ZINC000006380753 EF Annotated Anodyne CCCOn1c(Sc2ccccc2C)c(C(C)C)c(=O)[nH]c1=O ZINC000006380758 EF Annotated Anodyne CCCOn1c(Sc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O ZINC000006380764 EF Annotated Anodyne CCNc1cccnc1N1CCN(C(=O)c2cccc3[nH]ccc23)CC1 ZINC000006385419 EF Annotated Anodyne CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(O)cc1)[C@H](C)N2 ZINC000006403202 EF Annotated Anodyne CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(O)cc1)[C@@H](C)N2 ZINC000006403205 EF Annotated Anodyne CC[C@H](O)C#CC#C[C@@H](O)/C=C/CCCCCCCCOC(C)=O ZINC000006411617 EF Annotated Mild CC[C@@H](C)C(=O)O[C@@H]1[C@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000006411688 EF Annotated Anodyne CC[C@@H](C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O ZINC000006411690 EF Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O ZINC000006411696 EF Annotated Anodyne CC[C@H](C)C(=O)O[C@@H]1[C@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000006412266 EF Annotated Anodyne CC[C@H](C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O ZINC000006412267 EF Annotated Anodyne CC[C@H](C)C(=O)O[C@H]1[C@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000006412270 EF Annotated Anodyne CC[C@H](C)C(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O ZINC000006412271 EF Annotated Anodyne COc1ccc([C@H](C)c2cc3c(cc2OCCO)OCO3)cc1OC ZINC000006437369 EF Annotated Anodyne C[C@@H]1CC(=O)[C@@H]2CC(CO)=CCC[C@@H]2[C@@]1(C)CC/C(=C/CO)CO ZINC000006437652 EF Annotated Anodyne C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC/C(=C/CO)CO ZINC000006437807 EF Annotated Anodyne CO[C@H](C(=O)O[C@H]1C(=O)N2CC[C@@H]3CCC[C@H]1[C@@]32C)c1ccccc1 ZINC000006442450 EF Annotated Anodyne Oc1ccc(/C=N/N=C(/Nc2ccccn2)c2ccccn2)c(O)c1 ZINC000006475551 EF Annotated Mild C=C1CC[C@H]2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@H]1C/C=C1\CCOC1=O ZINC000006482596 EF Annotated Mild COc1c(O)c2c(c3oc4cccc(O)c4c(=O)c13)[C@@H]1CCO[C@@H]1O2 ZINC000006483461 EF Annotated Bother COC(=O)c1c(O)ccc2c1[C@@H]1COc3cc(OC)ccc3[C@H]1O2 ZINC000006484836 EF Annotated Anodyne COC(=O)c1c(O)ccc2c1[C@@H]1COc3cc(OC)ccc3[C@@H]1O2 ZINC000006484842 EF Annotated Anodyne COC(=O)c1c(O)ccc2c1[C@H]1COc3cc(OC)ccc3[C@H]1O2 ZINC000006484849 EF Annotated Anodyne COC(=O)c1c(O)ccc2c1[C@H]1COc3cc(OC)ccc3[C@@H]1O2 ZINC000006484854 EF Annotated Anodyne C=C1C(=O)O[C@H]2C(=O)[C@H](C)CCC[C@@](C)(O)/C=C/C[C@@]3(C)O[C@@H]3C[C@@H]12 ZINC000006488328 EF Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO)[C@]13C(=O)O ZINC000006488409 EF Annotated Mild C[C@H]1CNC(c2ccc(OCc3ccc(C4=N[C@H](C)CN4)cc3)cc2)=N1 ZINC000006488539 EF Annotated Anodyne C[C@H]1CNC(c2ccc3c(c2)Cc2cc(C4=N[C@H](C)CN4)ccc2-3)=N1 ZINC000006488547 EF Annotated Anodyne C=C[C@]1(C)CC(=O)[C@H]([C@@H](C)C=O)[C@]12C(=O)Oc1cccc(C)c1C2=O ZINC000006491371 EF Annotated Mild Cc1ccccc1NC(=O)c1[nH]cnc1C(=O)NCc1ccccc1 ZINC000006492282 EF Annotated Anodyne C=CCn1c(O)c(C(=O)NCc2ccccc2)c(=O)c2ccccc21 ZINC000006492934 EF Annotated Mild Cc1nn2c(=O)c([N+](=O)[O-])c(/C=C/c3ccc(F)cc3)nc2s1 ZINC000006494206 EF Annotated Bother C[C@H]1CNC(c2ccc(COc3ccc(C4=N[C@@H](C)CN4)cc3)cc2)=N1 ZINC000006495181 EF Annotated Anodyne C[C@H]1CNC(c2ccc3c(c2)Cc2cc(C4=N[C@@H](C)CN4)ccc2-3)=N1 ZINC000006495187 EF Annotated Anodyne CCOC(=O)/C(=C\c1ccc(OC)c(OC)c1)C(=O)c1cccnc1 ZINC000006497359 EF Annotated Mild COc1ccccc1/N=C1\NC(=N)N[C@H](c2ccc(Cl)cc2)N1 ZINC000006498434 EF Annotated Mild COc1ccccc1/N=C1\NC(=N)N[C@@H](c2ccc(Cl)cc2)N1 ZINC000006498435 EF Annotated Mild COCCN(CCOC)Cc1cc(=O)oc2cc(C)c(Cl)cc12 ZINC000060992520 EF Annotated Anodyne CCCOc1ccc(NC(=O)C[C@@H]2C(=O)OC[C@H]3CCCCN32)cc1 ZINC000061879502 EF Annotated Anodyne CCCOc1ccc(NC(=O)C[C@H]2C(=O)OC[C@H]3CCCCN23)cc1 ZINC000061879503 EF Annotated Anodyne CCCOc1ccc(NC(=O)C[C@@H]2C(=O)OC[C@@H]3CCCCN32)cc1 ZINC000061879504 EF Annotated Anodyne CCCOc1ccc(NC(=O)C[C@H]2C(=O)OC[C@@H]3CCCCN32)cc1 ZINC000061879505 EF Annotated Anodyne Cc1ccc(F)c(CNC(=O)[C@]2(C)CCCN2C(=O)C(C)C)c1F ZINC000061895911 EF Annotated Anodyne Cc1ccc(F)c(CNC(=O)[C@@]2(C)CCCN2C(=O)C(C)C)c1F ZINC000061895912 EF Annotated Anodyne CC(C)=CCn1c2ccc(NC(=S)NC3CC3)cc2c(=O)n1C ZINC000061896055 EF Annotated Anodyne CCCNC(=O)[C@]1(C)CCN(C(=O)c2ccc(OC(F)F)cc2)C1 ZINC000061896092 EF Annotated Anodyne CCCNC(=O)[C@@]1(C)CCN(C(=O)c2ccc(OC(F)F)cc2)C1 ZINC000061896093 EF Annotated Anodyne CCOC(=O)[C@]1(C)CCCN1C(=O)c1ccc(C(F)(F)F)nc1C ZINC000061896417 EF Annotated Anodyne CCOC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(C(F)(F)F)nc1C ZINC000061896418 EF Annotated Anodyne COCCNC(=O)[C@@]1(C)CCCN(CCSc2ccccc2)C1 ZINC000061896629 EF Annotated Anodyne COCCNC(=O)[C@]1(C)CCCN(CCSc2ccccc2)C1 ZINC000061896631 EF Annotated Anodyne C[C@]1(C(=O)N2CCCCC2)CCN1C(=O)C1(c2ccccc2)CC1 ZINC000061897092 EF Annotated Anodyne C[C@@]1(C(=O)N2CCCCC2)CCN1C(=O)C1(c2ccccc2)CC1 ZINC000061897093 EF Annotated Anodyne CCCNC(=O)[C@]1(C)CCCN(Cc2ccc(C(=O)OCC)o2)C1 ZINC000061897142 EF Annotated Anodyne CCCNC(=O)[C@@]1(C)CCCN(Cc2ccc(C(=O)OCC)o2)C1 ZINC000061897144 EF Annotated Anodyne CCCNC(=O)[C@]1(C)CCN(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000061897301 EF Annotated Anodyne CCCNC(=O)[C@@]1(C)CCN(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000061897302 EF Annotated Anodyne COCCNc1nc2cc(-c3ccccc3OC)sc2c(=O)n1C ZINC000061897787 EF Annotated Anodyne CSCCNC(=O)[C@@]1(C)CCN1C(=O)C/C=C/c1ccccc1 ZINC000061898582 EF Annotated Anodyne CSCCNC(=O)[C@]1(C)CCN1C(=O)C/C=C/c1ccccc1 ZINC000061898584 EF Annotated Anodyne NC(=O)c1cccc(Nc2nc([C@H](N)C3CCCCC3)cs2)n1 ZINC000061902364 EF Annotated Anodyne NC(=O)c1cccc(Nc2nc([C@@H](N)C3CCCCC3)cs2)n1 ZINC000061902366 EF Annotated Anodyne COc1cc(CN2C(=O)[C@@H](C)ON=C2c2cccs2)cc(OC)c1 ZINC000061902439 EF Annotated Anodyne COc1cc(CN2C(=O)[C@H](C)ON=C2c2cccs2)cc(OC)c1 ZINC000061902441 EF Annotated Anodyne CCCNC(=O)[C@]1(C)CCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000061902509 EF Annotated Anodyne CCCNC(=O)[C@@]1(C)CCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000061902511 EF Annotated Anodyne CC(C)[C@H](N)c1csc(Nc2ccc(S(C)(=O)=O)cc2)n1 ZINC000061902731 EF Annotated Anodyne CC(C)[C@@H](N)c1csc(Nc2ccc(S(C)(=O)=O)cc2)n1 ZINC000061902732 EF Annotated Anodyne Cc1cc(C(=O)N2CCC[C@@]2(C)C(=O)NCC(C)C)nn1C(C)(C)C ZINC000061902800 EF Annotated Anodyne Cc1cc(C(=O)N2CCC[C@]2(C)C(=O)NCC(C)C)nn1C(C)(C)C ZINC000061902801 EF Annotated Anodyne CCOC(=O)[C@]1(C)CCN1C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000061902811 EF Annotated Anodyne CCOC(=O)[C@@]1(C)CCN1C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000061902812 EF Annotated Anodyne Cc1cccc(C)c1Cn1c(C)c(C(=O)NCCC#N)sc1=O ZINC000061902867 EF Annotated Mild CCCCN(C)c1c(C)nc2ccc(C(=O)N(C)CCN(C)C)cn12 ZINC000061903312 EF Annotated Anodyne CCNC(=O)[C@]1(C)CCCN(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000061903685 EF Annotated Anodyne CCNC(=O)[C@@]1(C)CCCN(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000061903686 EF Annotated Anodyne CSc1ccc(Cn2c(C)c(C(=O)NCCC#N)sc2=O)cc1 ZINC000061904212 EF Annotated Mild CCCNC(=O)[C@]1(C)CCCN(C(=O)c2cc(C)n(C(C)(C)C)n2)C1 ZINC000061904251 EF Annotated Anodyne CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2cc(C)n(C(C)(C)C)n2)C1 ZINC000061904252 EF Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)NC(C)C)O3)c1 ZINC000061904474 EF Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@H](C(=O)NC(C)C)O3)c1 ZINC000061904475 EF Annotated Anodyne CCNC(=O)[C@]1(C)CCCN(Cc2cc(-c3ccccc3)n(C)n2)C1 ZINC000061904785 EF Annotated Anodyne CCNC(=O)[C@@]1(C)CCCN(Cc2cc(-c3ccccc3)n(C)n2)C1 ZINC000061904786 EF Annotated Anodyne COCCNc1nc(Oc2ccc(C(N)=O)cc2)c2sccc2n1 ZINC000061904959 EF Annotated Anodyne COc1ccc(C[C@H](N)c2csc(Nc3ncccn3)n2)cc1 ZINC000061905131 EF Annotated Anodyne COc1ccc(C[C@@H](N)c2csc(Nc3ncccn3)n2)cc1 ZINC000061905132 EF Annotated Anodyne C[C@]1(C(=O)NCCC#N)CCN1C(=O)C1(c2ccccc2)CCCC1 ZINC000061905722 EF Annotated Mild C[C@@]1(C(=O)NCCC#N)CCN1C(=O)C1(c2ccccc2)CCCC1 ZINC000061905723 EF Annotated Mild CCCCNC(=O)[C@]1(C)CCN1C(=O)c1ccc2ccccc2n1 ZINC000061906035 EF Annotated Anodyne CCCCNC(=O)[C@@]1(C)CCN1C(=O)c1ccc2ccccc2n1 ZINC000061906036 EF Annotated Anodyne CCCCNC(=O)c1ccc2nc(CC)c(N(CC)CCOC)n2c1 ZINC000061906352 EF Annotated Anodyne CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1ccc(C#N)cc1 ZINC000061906468 EF Annotated Mild CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1ccc(C#N)cc1 ZINC000061906469 EF Annotated Mild COCCNC(=O)[C@@]1(C)CCN(C(=O)c2ccc3sccc3c2)C1 ZINC000061906485 EF Annotated Anodyne COCCNC(=O)[C@]1(C)CCN(C(=O)c2ccc3sccc3c2)C1 ZINC000061906486 EF Annotated Anodyne CCOCCC(=O)Nc1ccc2c(c1)c(=O)n(C)n2CC=C(C)C ZINC000061906885 EF Annotated Anodyne CN(C)C(=O)CNc1ccn2nc(-c3cccc(Cl)c3)cc2n1 ZINC000061906909 EF Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@@H](C(=O)NC(C)C)O3)cc1 ZINC000061907284 EF Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@H](C(=O)NC(C)C)O3)cc1 ZINC000061907285 EF Annotated Anodyne COc1ccccc1CN1C(=O)[C@@H](C)ON=C1c1ccccc1F ZINC000061907318 EF Annotated Anodyne COc1ccccc1CN1C(=O)[C@H](C)ON=C1c1ccccc1F ZINC000061907319 EF Annotated Anodyne CCc1nc2cc(NC(=O)[C@]3(C)CCCN(C(C)=O)C3)ccc2o1 ZINC000061907443 EF Annotated Anodyne CCc1nc2cc(NC(=O)[C@@]3(C)CCCN(C(C)=O)C3)ccc2o1 ZINC000061907444 EF Annotated Anodyne CCC(=O)N1CCC[C@@](C)(C(=O)Nc2nccc3cccnc23)C1 ZINC000061907554 EF Annotated Anodyne CCC(=O)N1CCC[C@](C)(C(=O)Nc2nccc3cccnc23)C1 ZINC000061907555 EF Annotated Anodyne C[C@]1(C(=O)NCc2ccco2)CCN1C(=O)C1(c2ccccc2)CC1 ZINC000061907656 EF Annotated Anodyne C[C@@]1(C(=O)NCc2ccco2)CCN1C(=O)C1(c2ccccc2)CC1 ZINC000061907657 EF Annotated Anodyne COc1cccc(NC(=O)[C@]2(C)CCCN2C(=O)C(C)C)c1OC ZINC000061907758 EF Annotated Anodyne COc1cccc(NC(=O)[C@@]2(C)CCCN2C(=O)C(C)C)c1OC ZINC000061907759 EF Annotated Anodyne CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1cc(C#N)cs1 ZINC000061907862 EF Annotated Mild CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1cc(C#N)cs1 ZINC000061907863 EF Annotated Mild CN(C)CCNc1nc(-c2ccccc2CO)c2sccc2n1 ZINC000061908184 EF Annotated Anodyne COc1ccc(OC)c(/N=C(\O)Nc2nc(CN(C)C)cs2)c1 ZINC000061908213 EF Annotated Mild COCCNC(=O)[C@@]1(C)CCCN(Cc2cn(C)c3ccccc23)C1 ZINC000061908240 EF Annotated Anodyne COCCNC(=O)[C@]1(C)CCCN(Cc2cn(C)c3ccccc23)C1 ZINC000061908241 EF Annotated Anodyne CC(=O)N[C@@H](c1cccc(F)c1)c1nc(-c2cnn(C)c2)cs1 ZINC000061908980 EF Annotated Anodyne CC(=O)N[C@H](c1cccc(F)c1)c1nc(-c2cnn(C)c2)cs1 ZINC000061908981 EF Annotated Anodyne CC(C)(C)OC(=O)N1CCc2onc(-c3ccc(N)cc3)c2C1=O ZINC000061920907 EF Annotated Anodyne CCC[C@H]1NC(=O)c2cccnc2-n2c1nc1cc(C)cc(C)c1c2=O ZINC000061921367 EF Annotated Anodyne CCC[C@@H]1NC(=O)c2cccnc2-n2c1nc1cc(C)cc(C)c1c2=O ZINC000061921368 EF Annotated Anodyne CCC[C@H]1NC(=O)c2cccnc2-n2c1nc1ccc(C)cc1c2=O ZINC000061921373 EF Annotated Anodyne CCC[C@@H]1NC(=O)c2cccnc2-n2c1nc1ccc(C)cc1c2=O ZINC000061921374 EF Annotated Anodyne CCC[C@H]1NC(=O)c2cccnc2-n2c1nc1cc(C)ccc1c2=O ZINC000061921375 EF Annotated Anodyne CCC[C@@H]1NC(=O)c2cccnc2-n2c1nc1cc(C)ccc1c2=O ZINC000061921376 EF Annotated Anodyne CC[C@H]1NC(=O)c2cccnc2-n2c1nc1cc(C)cc(C)c1c2=O ZINC000061921395 EF Annotated Anodyne CC[C@@H]1NC(=O)c2cccnc2-n2c1nc1cc(C)cc(C)c1c2=O ZINC000061921396 EF Annotated Anodyne Cc1ccc2c(=O)n3c(nc2c1)[C@@H](CC(C)C)NC(=O)c1cccnc1-3 ZINC000061921417 EF Annotated Anodyne Cc1ccc2c(=O)n3c(nc2c1)[C@H](CC(C)C)NC(=O)c1cccnc1-3 ZINC000061921418 EF Annotated Anodyne CC(C)C[C@H]1NC(=O)c2cccnc2-n2c1nc1ccccc1c2=O ZINC000061921421 EF Annotated Anodyne CC(C)C[C@@H]1NC(=O)c2cccnc2-n2c1nc1ccccc1c2=O ZINC000061921422 EF Annotated Anodyne C[C@H](NC(=O)c1ncn2c1c(=O)[nH]c1ccccc12)c1ccccc1 ZINC000061922150 EF Annotated Anodyne Nc1ccn(CCCNCC(c2ccccc2)c2ccccc2)c(=O)n1 ZINC000061922395 EF Annotated Anodyne CSc1ncnc2c1ncn2CCCN(C)CCc1ccccn1 ZINC000061922452 EF Annotated Anodyne COc1ncnc2c1ncn2CCCNC[C@H](C)c1ccccc1 ZINC000061922658 EF Annotated Anodyne COc1ncnc2c1ncn2CCCNC[C@@H](C)c1ccccc1 ZINC000061922659 EF Annotated Anodyne O=C(NCc1ccccc1)c1nc[nH]c1C(=O)Nc1ccccc1F ZINC000061922876 EF Annotated Anodyne CNC(=O)C[C@@H]1C(=O)N(c2ccc(Br)cc2)CC1(C)C ZINC000061923208 EF Annotated Anodyne CC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1ccc(-c2cccnc2)cc1 ZINC000061924033 EF Annotated Anodyne N#Cc1ccc(NC(=S)N2Cc3ccccc3-n3nncc3C2)cc1 ZINC000061924046 EF Annotated Mild S=C(NCCc1ccccc1)N1Cc2ccccc2-n2nncc2C1 ZINC000061924140 EF Annotated Anodyne C[C@H](NS(=O)(=O)c1cccc(Cl)c1F)[C@H](O)c1ccccc1 ZINC000061924298 EF Annotated Anodyne C[C@@H](NS(=O)(=O)c1cccc(Cl)c1F)[C@H](O)c1ccccc1 ZINC000061924300 EF Annotated Anodyne CC(C)(C)[S@@](=O)N1C[C@H]2CC(=O)C(c3ccccc3)=C2[C@@H]1CCO ZINC000061924339 EF Annotated Mild CC(C)(C)[S@](=O)N1C[C@H]2CC(=O)C(c3ccccc3)=C2[C@@H]1CCO ZINC000061924341 EF Annotated Mild CC(C)(C)[S@@](=O)N1C[C@@H]2CC(=O)C(c3ccccc3)=C2[C@H]1CCO ZINC000061924350 EF Annotated Mild CC(C)(C)[S@](=O)N1C[C@@H]2CC(=O)C(c3ccccc3)=C2[C@H]1CCO ZINC000061924352 EF Annotated Mild C[C@H]1CN(S(=O)(=O)C(C)(C)C)[C@@H](CCO)/C1=C\c1ccccc1 ZINC000061924363 EF Annotated Anodyne CC1=CCC[C@H]2[C@@]3(C1)OC[C@]2(CC/C(=C/CO)CO)[C@H](C)C[C@@H]3O ZINC000061924480 EF Annotated Anodyne CC(C)C(=O)N1CC[C@@]1(C)C(=O)Nc1ccccc1OC(F)F ZINC000061925605 EF Annotated Anodyne CC(C)C(=O)N1CC[C@]1(C)C(=O)Nc1ccccc1OC(F)F ZINC000061925606 EF Annotated Anodyne COCCNC(=O)c1cccc2c(-c3cccc(C(N)=O)c3)coc12 ZINC000061925620 EF Annotated Anodyne CC(C)(C)c1ccc(C(=O)N2CC[C@]2(C)C(=O)NCCC#N)cc1 ZINC000061925958 EF Annotated Mild CC(C)(C)c1ccc(C(=O)N2CC[C@@]2(C)C(=O)NCCC#N)cc1 ZINC000061925959 EF Annotated Mild COc1ccc(C[C@H](N)c2csc(Nc3cnccn3)n2)cc1 ZINC000061926010 EF Annotated Anodyne COc1ccc(C[C@@H](N)c2csc(Nc3cnccn3)n2)cc1 ZINC000061926011 EF Annotated Anodyne N[C@@H](COCc1ccccc1)c1csc(Nc2ncccn2)n1 ZINC000061926107 EF Annotated Anodyne N[C@H](COCc1ccccc1)c1csc(Nc2ncccn2)n1 ZINC000061926108 EF Annotated Anodyne CCOC(=O)[C@]1(C)CCCCCN1C(=O)c1ccc(C(=O)OC)cc1 ZINC000061926605 EF Annotated Anodyne CCOC(=O)[C@@]1(C)CCCCCN1C(=O)c1ccc(C(=O)OC)cc1 ZINC000061926606 EF Annotated Anodyne CCOC(=O)[C@]1(C)CCN1C(=O)c1ccc(OC)c(C(F)(F)F)c1 ZINC000061926670 EF Annotated Anodyne CCOC(=O)[C@@]1(C)CCN1C(=O)c1ccc(OC)c(C(F)(F)F)c1 ZINC000061926671 EF Annotated Anodyne Cn1c(=O)c2cc(NC(=S)NCc3ccccc3F)ccc2n1C ZINC000061926874 EF Annotated Anodyne CCCNC(=O)[C@]1(C)CCCN(C(=O)c2cc(C)nn2C(C)(C)C)C1 ZINC000061926889 EF Annotated Anodyne CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2cc(C)nn2C(C)(C)C)C1 ZINC000061926890 EF Annotated Anodyne CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1ccc2c(c1)CCO2 ZINC000061927295 EF Annotated Anodyne CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1ccc2c(c1)CCO2 ZINC000061927296 EF Annotated Anodyne CCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000061927330 EF Annotated Anodyne CCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000061927332 EF Annotated Anodyne CCCCN(C)C(=O)c1sc(=O)n(Cc2c(C)noc2C)c1C ZINC000061927770 EF Annotated Anodyne CC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)NCC2CC2)O3)c1 ZINC000061928506 EF Annotated Anodyne CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)NCC2CC2)O3)c1 ZINC000061928508 EF Annotated Anodyne CCc1nc2c(OCCOC)cccn2c1N(C)C(=O)c1ccco1 ZINC000061929187 EF Annotated Anodyne C=Cc1ccc(Cn2c(C)c(C(=O)NCCC#N)sc2=O)cc1 ZINC000061929268 EF Annotated Mild C/C(O)=N\c1cncc(-c2cccc(/C(O)=N/CCN(C)C)c2)n1 ZINC000061929838 EF Annotated Mild O=C(Cn1cc(COc2cc(F)cc(F)c2)nn1)c1ccc(O)cc1 ZINC000061931038 EF Annotated Anodyne C=C[C@@]1(C)CN(Cc2ccco2)S(=O)(=O)c2c(F)cccc2O1 ZINC000061931162 EF Annotated Mild C=C[C@]1(C)CN(Cc2ccco2)S(=O)(=O)c2c(F)cccc2O1 ZINC000061931163 EF Annotated Mild COc1ccc(CN2Cc3cnnn3-c3ccccc3[C@@H]2C#N)cc1 ZINC000061942541 EF Annotated Mild COc1ccc(CN2Cc3cnnn3-c3ccccc3[C@H]2C#N)cc1 ZINC000061942543 EF Annotated Mild Cc1ccccc1C(=O)N1Cc2cnnn2-c2ccccc2[C@@H]1C#N ZINC000061942553 EF Annotated Mild Cc1ccccc1C(=O)N1Cc2cnnn2-c2ccccc2[C@H]1C#N ZINC000061942555 EF Annotated Mild CN1CC[C@@H]2C(=O)N3CCc4ccc(Br)cc4[C@@H]3C[C@@H]21 ZINC000061942580 EF Annotated Anodyne CCOC(=O)[C@@H]1CC2=C(CCCC2=O)N(Cc2ccccc2)C1=O ZINC000061942711 EF Annotated Mild CCOC(=O)[C@H]1CC2=C(CCCC2=O)N(Cc2ccccc2)C1=O ZINC000061942713 EF Annotated Mild COC(=O)[C@H]1CC2=C(CC(C)(C)CC2=O)N(c2ccccc2)C1=O ZINC000061942736 EF Annotated Mild COC(=O)[C@@H]1CC2=C(CC(C)(C)CC2=O)N(c2ccccc2)C1=O ZINC000061942738 EF Annotated Mild CC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1ccccc1Br ZINC000061943031 EF Annotated Anodyne C[C@@H]1CN(S(=O)(=O)C(C)(C)C)[C@@H](CCO)/C1=C\c1ccccc1 ZINC000061943319 EF Annotated Anodyne C=C(C1=CCN(S(=O)(=O)C(C)(C)C)[C@H]1CCO)c1ccccc1 ZINC000061943320 EF Annotated Anodyne C[C@@H]1CN(S(=O)(=O)C(C)(C)C)[C@H](CCO)/C1=C\c1ccccc1 ZINC000061943331 EF Annotated Anodyne C[C@H]1CN(S(=O)(=O)C(C)(C)C)[C@H](CCO)/C1=C\c1ccccc1 ZINC000061943332 EF Annotated Anodyne C=C(C1=CCN(S(=O)(=O)C(C)(C)C)[C@@H]1CCO)c1ccccc1 ZINC000061943333 EF Annotated Anodyne Cc1ccc(Nc2c([N+](=O)[O-])n[n+](-c3ccccc3)n2O)c(C)c1 ZINC000061958031 EF Annotated Bother O=C1CC[C@@H]2C[C@@H](N3CCN(c4ccccc4)CC3)C[C@@H]3CCN1[C@@H]32 ZINC000061958548 EF Annotated Anodyne O=C1CC[C@@H]2C[C@H](N3CCN(c4ccccc4)CC3)C[C@@H]3CCN1[C@@H]32 ZINC000061958550 EF Annotated Anodyne COc1ccc(N[C@@H]2CCN3C(=O)c4ccccc4[C@@H]3C[C@H]2O)cc1 ZINC000061959039 EF Annotated Anodyne O=C1c2ccccc2[C@@H]2C[C@@H](O)[C@H](Nc3cccc(Cl)n3)CCN12 ZINC000061959051 EF Annotated Anodyne N#Cc1ccc(N[C@@H]2CCN3C(=O)c4ccccc4[C@@H]3C[C@H]2O)cc1 ZINC000061959058 EF Annotated Mild CC(=O)C[C@H](O)CC(=O)[C@H]1OC(=O)[C@H](C)CCCCc2ccccc21 ZINC000061959165 EF Annotated Anodyne CC(=O)C[C@@H](O)CC(=O)[C@@H]1OC(=O)[C@H](C)CCCCc2ccccc21 ZINC000061959166 EF Annotated Anodyne CC(=O)C[C@@H](O)CC(=O)[C@H]1OC(=O)[C@H](C)CCCCc2ccccc21 ZINC000061959170 EF Annotated Anodyne CC(=O)C[C@H](O)CC(=O)[C@@H]1OC(=O)[C@H](C)C/C=C\Cc2ccccc21 ZINC000061959174 EF Annotated Anodyne CC(=O)C[C@@H](O)CC(=O)[C@@H]1OC(=O)[C@H](C)C/C=C\Cc2ccccc21 ZINC000061959176 EF Annotated Anodyne CC(=O)C[C@@H](O)CC(=O)[C@H]1OC(=O)[C@H](C)C/C=C\Cc2ccccc21 ZINC000061959178 EF Annotated Anodyne CC(=O)C[C@H](O)CC(=O)[C@H]1OC(=O)[C@@H](C)CCCCc2ccccc21 ZINC000061959180 EF Annotated Anodyne CC(=O)C[C@@H](O)CC(=O)[C@@H]1OC(=O)[C@@H](C)CCCCc2ccccc21 ZINC000061959182 EF Annotated Anodyne CC(=O)C[C@H](O)CC(=O)[C@@H]1OC(=O)[C@@H](C)C/C=C\Cc2ccccc21 ZINC000061959185 EF Annotated Anodyne CC(=O)C[C@H](O)CC(=O)[C@H]1OC(=O)[C@@H](C)C/C=C\Cc2ccccc21 ZINC000061959187 EF Annotated Anodyne CC(=O)C[C@@H](O)CC(=O)[C@@H]1OC(=O)[C@@H](C)C/C=C\Cc2ccccc21 ZINC000061959192 EF Annotated Anodyne CC(=O)C[C@@H](O)CC(=O)[C@H]1OC(=O)[C@@H](C)C/C=C\Cc2ccccc21 ZINC000061959193 EF Annotated Anodyne CC(=O)C[C@H](O)CC(=O)[C@@H]1OC(=O)CCCCCc2ccccc21 ZINC000061959195 EF Annotated Anodyne CC(=O)C[C@H](O)CC(=O)[C@H]1OC(=O)CCCCCc2ccccc21 ZINC000061959197 EF Annotated Anodyne CC(=O)C[C@@H](O)CC(=O)[C@@H]1OC(=O)CCCCCc2ccccc21 ZINC000061959199 EF Annotated Anodyne CC(=O)C[C@@H](O)CC(=O)[C@H]1OC(=O)CCCCCc2ccccc21 ZINC000061959200 EF Annotated Anodyne CCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1cc(OC)ccc1OC ZINC000617955597 EF Annotated Anodyne CCO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1cc(OC)ccc1OC ZINC000617955598 EF Annotated Anodyne CO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000617966485 EF Annotated Anodyne CO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000617966486 EF Annotated Anodyne CCC/N=c1\c(NC(=O)NC[C@@H]2CCCO2)c(O)oc2ccccc12 ZINC000617997050 EF Annotated Anodyne CCC/N=c1\c(NC(=O)NC[C@H]2CCCO2)c(O)oc2ccccc12 ZINC000617997051 EF Annotated Anodyne NCCSSCCCNC(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000618007542 EF Annotated Reactive NCCSSCCCNC(=O)c1oncc1-c1ccccc1 ZINC000618007551 EF Annotated Reactive NCCSSCCCNC(=O)c1ccc(C(F)(F)F)nc1 ZINC000618007613 EF Annotated Reactive CN(C)CCSSCCCNC(=O)CNc1ccccc1 ZINC000618007654 EF Annotated Reactive CN(C)CCSSCCNC(=O)CCCC(=O)C1CCCC1 ZINC000618007761 EF Annotated Reactive CN(C)CCSSCCC(=O)Nc1ccc(F)c(C#N)c1 ZINC000618007768 EF Annotated Reactive NCCSSCCNC(=O)c1cc(F)c(F)c(Cl)c1F ZINC000618007806 EF Annotated Reactive CCOc1ccc(OCC)c(C(=O)NCCSSCCN)c1 ZINC000618007833 EF Annotated Reactive CNc1ccc(C(=O)NCCCSSCCN(C)C)cc1 ZINC000618007860 EF Annotated Reactive Cc1cccc(C(=O)O)c1NC(=O)CCSSCCN(C)C ZINC000618007876 EF Annotated Reactive NCCSSCCNC(=O)Cc1c(Cl)cccc1Cl ZINC000618007885 EF Annotated Reactive Cc1ccc(O)c(C(=O)NCCCSSCCN(C)C)c1 ZINC000618007926 EF Annotated Reactive NCCSSCCCNC(=O)c1cc(-c2ccccc2)ncn1 ZINC000618007944 EF Annotated Reactive CCOc1cc(OCC)cc(C(=O)NCCSSCCN)c1 ZINC000618008143 EF Annotated Reactive CC(=O)c1ccccc1C(=O)NCCSSCCN(C)C ZINC000618008189 EF Annotated Reactive CSc1ncccc1C(=O)NCCCSSCCN(C)C ZINC000618008224 EF Annotated Reactive CN(C)CCSSCCNC(=O)c1nccc2ccccc12 ZINC000618008252 EF Annotated Reactive CN(C)CCSSCCn1cc(COc2ccccc2)nn1 ZINC000618009306 EF Annotated Reactive Cc1ccc(OCC(=O)N(C)CCSSCCN(C)C)cc1 ZINC000618009407 EF Annotated Reactive CN(C)CCSSCCCNC(=O)Cc1ccc(C#N)cc1 ZINC000618009425 EF Annotated Reactive CN(C)CCSSCCCn1cc(-c2ccccc2N)nn1 ZINC000618009612 EF Annotated Reactive CN(C)CCSSCCN(C)C(=O)c1ccc2c[nH]nc2c1 ZINC000618009800 EF Annotated Reactive COc1ccccc1-c1cn(CCSSCCN(C)C)nn1 ZINC000618009853 EF Annotated Reactive CC(=O)c1cccc(C(=O)N(C)CCSSCCN(C)C)c1 ZINC000618010017 EF Annotated Reactive NC(=O)CNC1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)CC1 ZINC000618010084 EF Annotated Anodyne CN(C)CCSSCCn1cc(-c2ccc(CC#N)cc2)nn1 ZINC000618010173 EF Annotated Reactive Cc1ccc(CC(=O)N(C)CCSSCCN(C)C)cc1 ZINC000618010180 EF Annotated Reactive CN(C)CCSSCCCn1cc(-c2ccc(N)cc2)nn1 ZINC000618010334 EF Annotated Reactive CN(C)CCSSCCN(C)C(=O)c1ccc2n[nH]cc2c1 ZINC000618010379 EF Annotated Reactive CN(C)CCSSCCN(C)C(=O)COc1ccc(F)cc1 ZINC000618010451 EF Annotated Reactive CN(C)CCSSCCn1cc(-c2ccc(C#N)cc2)nn1 ZINC000618010505 EF Annotated Reactive CN(C)CCSSCCN(C)C(=O)Cc1cccc(F)c1 ZINC000618010547 EF Annotated Reactive CN(C)CCSSCCCNC(=O)Cc1cccc(F)c1 ZINC000618012454 EF Annotated Reactive CN(C)CCSSCCCNC(=O)Cc1ccc(F)cc1 ZINC000618012459 EF Annotated Reactive Cc1ccc(OCC(=O)NCCCSSCCN(C)C)cc1 ZINC000618012476 EF Annotated Reactive COc1ccc(-c2cn(CCSSCCN(C)C)nn2)cc1 ZINC000618012667 EF Annotated Reactive Cc1ccc(CC(=O)NCCCSSCCN(C)C)cc1 ZINC000618012743 EF Annotated Reactive O=C1N=NC(Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)=N1 ZINC000618012911 EF Annotated Anodyne O=C1N=NC(C(=O)Nc2nc3c(OC(F)F)cccc3s2)=N1 ZINC000618014718 EF Annotated Anodyne Cc1cc(C(=O)NCCCSSCCN(C)C)cc(C)n1 ZINC000618017035 EF Annotated Reactive CN(C)CCSSCCCNC(=O)c1cc(C2CC2)no1 ZINC000618017264 EF Annotated Reactive CN(C)C/C=C/C(=O)NCCCc1ccc(OC(F)(F)F)cc1 ZINC000618017415 EF Annotated Anodyne Cc1nc2ccc(C(=O)NCCSSCCN(C)C)cc2[nH]1 ZINC000618017796 EF Annotated Reactive C=CC(=O)N1CCN(Cc2ccc(OC(F)(F)F)c(F)c2)[C@@H](C)C1 ZINC000618020240 EF Annotated Anodyne CC(C)C[C@H]1n2cncc2CN(Cc2cccs2)S1(=O)=O ZINC000062224233 EF Annotated Anodyne Cc1cc2n[nH]c(=O)n2c2cc(-c3ccc([S@@](C)=O)cc3)ccc12 ZINC000062225181 EF Annotated Anodyne C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@]1(C)C[C@H](O)C[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000062234933 EF Annotated Mild in-man C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@@]1(C)C[C@H](O)C[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000062234936 EF Annotated Mild in-man C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@]1(C)C[C@@H](O)C[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000062234937 EF Annotated Mild in-man C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@@]1(C)C[C@@H](O)C[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000062234939 EF Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000062235956 EF Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]12CCC[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000062235960 EF Annotated Mild in-man N=c1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c[nH]1 ZINC000621428651 EF Annotated Anodyne O=C(NCc1ccccc1)c1ccc(=NCc2ccccc2O)[nH]c1 ZINC000621430172 EF Annotated Clean CCc1c(C)c(C#N)c2nc3ccc(N)cc3n2c1OCCN(C)C ZINC000621431577 EF Annotated Mild N=c1[nH][nH]c2ccc(NC(=O)[C@H](CCN)c3cccc(Cl)c3)cc12 ZINC000621431721 EF Annotated Anodyne N=c1[nH][nH]c2ccc(NC(=O)[C@@H](CCN)c3cccc(Cl)c3)cc12 ZINC000621431722 EF Annotated Anodyne Cc1ccc2c(c1)N([C@H](C)C(=O)N[C@H]1CCCC[C@H]1C)C(=O)CO2 ZINC000621439965 EF Annotated Anodyne Cc1ccc2c(c1)N([C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C)C(=O)CO2 ZINC000621439966 EF Annotated Anodyne CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000621475493 EF Annotated Anodyne CO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1cc(Cl)c(O)c(OC)c1 ZINC000621475494 EF Annotated Anodyne N=c1ccnc(SCC(=O)Nc2ccccc2C(F)(F)F)[nH]1 ZINC000621476403 EF Annotated Anodyne Nc1ccc2c3c(cccc13)C(=O)N(c1cccc(C(=O)O)c1)C2=O ZINC000621476404 EF Annotated Anodyne CCO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1cc(OC)ccc1OC ZINC000621476534 EF Annotated Anodyne CCO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1cc(OC)ccc1OC ZINC000621476537 EF Annotated Anodyne CO[C@](CNC(=O)c1cccnc1)(c1cccs1)C(F)(F)F ZINC000621477644 EF Annotated Anodyne CO[C@@](CNC(=O)c1cccnc1)(c1cccs1)C(F)(F)F ZINC000621477649 EF Annotated Anodyne CC(C)Oc1ccc(C(=O)NCCSSCCN(C)C)cn1 ZINC000621477718 EF Annotated Reactive COc1nc(C2=NO[C@H](c3ccccc3)C2)nc(N2CCCCC2)n1 ZINC000621477876 EF Annotated Anodyne COc1nc(C2=NO[C@@H](c3ccccc3)C2)nc(N2CCCCC2)n1 ZINC000621477877 EF Annotated Anodyne CC1=CN2C(=N[C@@](c3cccn3C)(C(F)(F)F)C(C#N)=C2N)C=C1 ZINC000621477906 EF Annotated Reactive CC1=CN2C(=N[C@](c3cccn3C)(C(F)(F)F)C(C#N)=C2N)C=C1 ZINC000621477907 EF Annotated Reactive Cc1cc(Br)c2c(CP(=O)(O)O)cc(=O)oc2c1 ZINC000621485606 EF Annotated Anodyne CN(C)C[C@@H]1CCC[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]21 ZINC000063528379 EF Annotated Anodyne COc1ccccc1CN/C(N)=N/c1nccc(-c2cccs2)n1 ZINC000063540230 EF Annotated Mild CCS(=O)(=O)c1ccccc1N1CCC(NC2CCCC2)CC1 ZINC000063918629 EF Annotated Anodyne NCCCNCCCCNCCC/N=C1/CCCc2ccccc2N1 ZINC000064437111 EF Annotated Mild CNc1nc2ccn(C)c(=O)c(Cc3cc(C)c(OC)c(C)c3)c-2n1 ZINC000064447768 EF Annotated Anodyne CCO[P@]1(=O)OC(C)=c2sc(Br)cc2=C1C#N ZINC000064447885 EF Annotated Mild CCO[P@@]1(=O)OC(C)=c2sc(Br)cc2=C1C#N ZINC000064447887 EF Annotated Mild COC(=O)/C(=C1/OC(=O)C(c2ccc(OC)cc2)=C1O)c1ccco1 ZINC000064448162 EF Annotated Anodyne CSc1ccc(Cc2nn(CN3CCOCC3)c(=S)o2)cc1 ZINC000064448682 EF Annotated Anodyne O=C1CS/C(=N/N=C/CSc2ccc(Br)cc2)N1 ZINC000064448931 EF Annotated Mild CN(C)C(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCOC3)cc1 ZINC000064448966 EF Annotated Anodyne COC(=O)/C(=C1/OC(=O)C(c2ccc(OC)cc2)=C1O)c1ccoc1 ZINC000064448986 EF Annotated Anodyne CC(C)c1csc(-c2nn(CN3CCN(C)CC3)c(=S)o2)n1 ZINC000064453454 EF Annotated Anodyne Cc1cn2c(CN3CCOCC3)c(-c3ccc(F)cc3)nc2cn1 ZINC000064453560 EF Annotated Anodyne CC(C)c1csc(-c2nn(CN3CCOCC3)c(=S)o2)n1 ZINC000064454295 EF Annotated Anodyne O=S1(=O)N=C(Sc2ccc3c(c2)OCCO3)c2ccccc21 ZINC000064474569 EF Annotated Anodyne C=CCN(CC=C)C(=S)/N=C1\C(=O)Nc2cc(C)c(O)c(C)c21 ZINC000064479884 EF Annotated Mild CCN(CCc1ccccc1)C(=O)CSc1ncccc1C(=O)O ZINC000064491754 EF Annotated Anodyne CCN(CC)Cc1cn(-c2cc(C)nc3ccc(OC)cc23)nn1 ZINC000064499102 EF Annotated Anodyne COc1ccc2c(c1O)OC(C)(C)c1c-2ccc2c1C(=O)N(C)C2=O ZINC000064512505 EF Annotated Anodyne CCOC(=O)N[C@@H]1CCN(C(=O)OC2C3CC4CC(C3)CC2C4)C1 ZINC000064512700 EF Annotated Anodyne CC(C)(C)c1ccc(CN2CCC=C(CCC(=O)NO)C2=O)cc1 ZINC000064527022 EF Annotated Bother COc1ccc2c(c1O)OC(C)(C)c1c-2ccc2c1C(=O)NC2=O ZINC000064527124 EF Annotated Anodyne C[C@@H](N)[C@@H]1CC[C@@H](C)C2(C1)OOC1(C[C@H]([C@@H](C)N)CC[C@H]1C)OO2 ZINC000064527322 EF Annotated Reactive C[C@H](N)[C@@H]1CC[C@@H](C)C2(C1)OOC1(C[C@H]([C@@H](C)N)CC[C@H]1C)OO2 ZINC000064527323 EF Annotated Reactive C[C@H](N)[C@@H]1CC[C@@H](C)C2(C1)OOC1(C[C@H]([C@H](C)N)CC[C@H]1C)OO2 ZINC000064527324 EF Annotated Reactive COc1cc2c(cc1O)C=[N+]1CCc3cc(OC)c(OC)cc3[C@@H]1C2 ZINC000064528071 EF Annotated Anodyne Cc1c/c(=N\C(=O)NC(=O)NCc2ccccc2)c2ccccc2[nH]1 ZINC000064528179 EF Annotated Anodyne Nc1cccc(-c2cn(C[C@@H]3Cc4c([nH]c5ccccc45)CN3)nn2)c1 ZINC000064528295 EF Annotated Anodyne CC(C)(C)c1ccc(CCN2CCC=C(CCC(=O)NO)C2=O)cc1 ZINC000064528329 EF Annotated Bother Cc1ccc(CNCC2(F)CCN(C(=O)c3ccco3)CC2)nc1 ZINC000064539646 EF Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)c3ccoc3)CC2)nc1 ZINC000064540356 EF Annotated Anodyne C[C@](O)(CCl)COC1=C[C@H]2Oc3ccccc3C(=O)[C@@H]2C(O)=C1 ZINC000064552942 EF Annotated Reactive C[C@@](O)(CCl)COC1=C[C@H]2Oc3ccccc3C(=O)[C@@H]2C(O)=C1 ZINC000064552946 EF Annotated Reactive C[C@](O)(CCl)COC1=C[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(O)=C1 ZINC000064552949 EF Annotated Reactive C[C@@](O)(CCl)COC1=C[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(O)=C1 ZINC000064552951 EF Annotated Reactive CC(=O)OC[C@H]1C=C(c2ccc(Br)cc2)C(=O)OC1 ZINC000064559105 EF Annotated Anodyne CC(=O)OC[C@@H]1C=C(c2ccc(Br)cc2)C(=O)OC1 ZINC000064559106 EF Annotated Anodyne S=C1C[C@@H](NCC2CC2)C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 ZINC000064559407 EF Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1C(=O)C(O)=C(CO)[C@@H]2/C=C/C1=CC(=O)OC1 ZINC000064560459 EF Annotated Mild O=C(Cc1cccc2cnccc12)Nc1scnc1-c1nc[nH]n1 ZINC000064560477 EF Annotated Anodyne COCCN1CCC[C@]2(CCN(Cc3ccc(OC)c(F)c3)C2)C1 ZINC000064610058 EF Annotated Anodyne COCCN1CCC[C@@]2(CCN(Cc3ccc(OC)c(F)c3)C2)C1 ZINC000064610059 EF Annotated Anodyne C1CPCCPCCOCCPCCPCCO1 ZINC000064624282 EF Annotated Anodyne in-vitro CCCC[N+]1(C)OI(=O)(O)c2ccccc21 ZINC000064625149 EF Annotated Bother in-vitro C[C@H](OS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000064634094 EF Annotated Mild in-vitro C[C@@H](OS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CC(C)(C)OC1=O ZINC000064634095 EF Annotated Mild in-vitro C[C@H](OS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CC(C)(C)OC1=O ZINC000064634096 EF Annotated Mild in-vitro C[C@@H](OS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CC(C)(C)OC1=O ZINC000064634098 EF Annotated Mild in-vitro O=S(=O)(NCc1ccccc1F)c1ccc(O)c2ncccc12 ZINC000064693644 EF Annotated Anodyne COC(=O)c1oc2cnccc2c1N[C@H]1C=CC2=C(NO)C=CC2=C1 ZINC000064746572 EF Annotated Anodyne Cc1c(N2CCCC2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520763 EF Annotated Anodyne Cc1c(N2CC[C@H](F)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520841 EF Annotated Anodyne Cc1c(N2CC[C@@H](F)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520910 EF Annotated Anodyne Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2CC2CC2)c1 ZINC000006521896 EF Annotated Anodyne Cc1cc(CCCOc2c(C)cc(-n3nnc(C)n3)cc2C)on1 ZINC000006521985 EF Annotated Anodyne in-vivo Cc1cc2nc3c([C@@H](O)CO)nn(-c4ccccc4)c3nc2cc1C ZINC000006522185 EF Annotated Anodyne Cc1ccc2c(=O)c(C(=O)Nn3c(C)csc3=S)c[nH]c2n1 ZINC000006522895 EF Annotated Anodyne Nc1cc(Cl)nc([S@](=O)Cc2cccc(Br)c2)n1 ZINC000006525354 EF Annotated Anodyne Nc1cc(Cl)nc([S@@](=O)Cc2cccc(Br)c2)n1 ZINC000006525355 EF Annotated Anodyne CCc1ccc(S(=O)(=O)NCc2cn3c(C)csc3n2)s1 ZINC000006531069 EF Annotated Anodyne CCOc1ccc(/C(CCC(=O)O)=N/N=C(\S)NC(C)C)cc1 ZINC000006538175 EF Annotated Mild Cn1c(O)c(/N=N\C(=O)CNC(=O)c2ccccc2)c2ccccc21 ZINC000006557261 EF Annotated Clean O=C1Sc2ccc(Br)cc2C(=O)N2CCS[C@H]12 ZINC000006567331 EF Annotated Anodyne O=C1Sc2ccc(Br)cc2C(=O)N2CCS[C@@H]12 ZINC000006567332 EF Annotated Anodyne N#CCCN1C(=O)N(Cc2ccccc2)S(=O)(=O)c2cscc21 ZINC000006579767 EF Annotated Mild O=S(=O)(c1ccccc1)n1ccc([C@H](O)c2ccccc2F)c1 ZINC000006581625 EF Annotated Anodyne O=S(=O)(c1ccccc1)n1ccc([C@@H](O)c2ccccc2F)c1 ZINC000006581643 EF Annotated Anodyne O[C@@H]1O[C@@](Cn2cncn2)(c2ccc(Cl)cc2)c2ccccc21 ZINC000006583387 EF Annotated Anodyne O[C@@H]1O[C@](Cn2cncn2)(c2ccc(Cl)cc2)c2ccccc21 ZINC000006583388 EF Annotated Anodyne O[C@H]1O[C@@](Cn2cncn2)(c2ccc(Cl)cc2)c2ccccc21 ZINC000006583419 EF Annotated Anodyne O[C@H]1O[C@](Cn2cncn2)(c2ccc(Cl)cc2)c2ccccc21 ZINC000006583421 EF Annotated Anodyne C[C@H]1CCC[C@H](NC(=O)Cn2cc(Br)ccc2=O)[C@@H]1C ZINC000006602175 EF Annotated Anodyne C[C@H]1CCC[C@@H](NC(=O)Cn2cc(Br)ccc2=O)[C@@H]1C ZINC000006602177 EF Annotated Anodyne CCOc1ccc2c(c1)=C(c1ccccc1)NN=C(c1ccccc1)N=2 ZINC000006631039 EF Annotated Anodyne CCCc1cc(N2CCN(C3CCCCC3)CC2)n2cnnc2n1 ZINC000006743774 EF Annotated Anodyne Cc1ccc(NC(=O)CCc2c(C)nc3ccc(C)cn3c2=O)nc1 ZINC000006745496 EF Annotated Anodyne COc1ccccc1C1(O)C[C@@H]2CC[C@H](C1)N2c1nccc(C)n1 ZINC000006746506 EF Annotated Anodyne Cc1ccc(NC(=O)Cn2ncn3c(cc4ccccc43)c2=O)c(C)c1 ZINC000006749640 EF Annotated Anodyne CCN1CCC[C@@H]1CNc1nc2ccc(Cl)cc2n2cnnc12 ZINC000006752062 EF Annotated Anodyne CCN1CCC[C@H]1CNc1nc2ccc(Cl)cc2n2cnnc12 ZINC000006752063 EF Annotated Anodyne C[C@@H]1CCCCN1CCNC(=O)Cn1ncc2c(Cl)cccc21 ZINC000006768326 EF Annotated Anodyne C[C@H]1CCCCN1CCNC(=O)Cn1ncc2c(Cl)cccc21 ZINC000006768327 EF Annotated Anodyne Cc1ccc2c(cnn2C(=O)CCC(=O)NCCCOC(C)C)c1 ZINC000006768444 EF Annotated Anodyne O=C(CCC(=O)n1ncc2ccccc21)NCc1ccc(F)cc1 ZINC000006768790 EF Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1C1CCNCC1 ZINC000006769811 EF Annotated Anodyne Cc1ccc(CNC(=O)c2nnn(Cc3cc(C)ccc3C)c2N)cc1 ZINC000006772546 EF Annotated Anodyne O=C(Cn1c(=O)c2cccn2c2ccccc21)NCCc1ccccc1 ZINC000006782249 EF Annotated Anodyne COc1ccc(CN(C)C(=O)Cc2ccsc2)c(OC)c1OC ZINC000006787143 EF Annotated Anodyne CC(C)CCNC(=O)CCCn1c(=O)c2cccn2c2cccnc21 ZINC000006797501 EF Annotated Anodyne CC1CCN(C(=O)CCC(=O)N2C[C@H](C)Oc3ccccc32)CC1 ZINC000006798213 EF Annotated Anodyne CC1CCN(C(=O)CCC(=O)N2C[C@@H](C)Oc3ccccc32)CC1 ZINC000006798214 EF Annotated Anodyne O=C(CCC(=O)N1CCOc2ccccc21)NCCc1ccccc1 ZINC000006798445 EF Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)CCCN1C(=O)CSc2ncccc21 ZINC000006802669 EF Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)CCCN1C(=O)CSc2ncccc21 ZINC000006802671 EF Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)CCCN1C(=O)CSc2ncccc21 ZINC000006802673 EF Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)CCCN1C(=O)CSc2ncccc21 ZINC000006802675 EF Annotated Anodyne Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000006802810 EF Annotated Anodyne Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000006802812 EF Annotated Anodyne Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000006802814 EF Annotated Anodyne Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)N[C@H]1CCCC[C@H]1C ZINC000006802816 EF Annotated Anodyne Cc1ccc2nc(NCc3ccc(C(=O)O)cc3)c3nncn3c2c1 ZINC000006802962 EF Annotated Anodyne CCCNC(=O)C1CCN(c2nnc(-n3c(C)ccc3C)s2)CC1 ZINC000006806093 EF Annotated Anodyne Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)NC(C)C)C2)s1 ZINC000006806164 EF Annotated Anodyne Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)NC(C)C)C2)s1 ZINC000006806165 EF Annotated Anodyne C[C@@H]1CC(=O)N(Cc2ccc(F)cc2)c2ccccc2S1(=O)=O ZINC000006806603 EF Annotated Anodyne C[C@H]1CC(=O)N(Cc2ccc(F)cc2)c2ccccc2S1(=O)=O ZINC000006806604 EF Annotated Anodyne COc1ccccc1CNC(=O)Cn1cc2c(n1)CCCCCC2 ZINC000006806923 EF Annotated Anodyne CC[C@@H](C(=O)NC1CCCC1)n1nc(C)n2c(cc3occc32)c1=O ZINC000006807473 EF Annotated Anodyne CC[C@H](C(=O)NC1CCCC1)n1nc(C)n2c(cc3occc32)c1=O ZINC000006807474 EF Annotated Anodyne O=C(O)CCc1nc2ncccc2c(=O)n1Cc1ccccc1Cl ZINC000006808441 EF Annotated Anodyne Fc1ccccc1-n1ncc2c1ncn1nc(-c3ccncc3)nc21 ZINC000006810148 EF Annotated Anodyne CC(C)CCn1c(=O)c2sccc2n2c(CCCC(=O)O)nnc12 ZINC000006817052 EF Annotated Anodyne NC(=O)[C@@H]1C(=O)NC(c2ccccc2)=C[C@@H]1c1ccc(Cl)cc1 ZINC000006817693 EF Annotated Anodyne NC(=O)[C@@H]1C(=O)NC(c2ccccc2)=C[C@H]1c1ccc(Cl)cc1 ZINC000006817695 EF Annotated Anodyne NC(=O)[C@H]1C(=O)NC(c2ccccc2)=C[C@@H]1c1ccc(Cl)cc1 ZINC000006817697 EF Annotated Anodyne NC(=O)[C@H]1C(=O)NC(c2ccccc2)=C[C@H]1c1ccc(Cl)cc1 ZINC000006817699 EF Annotated Anodyne CCc1ccc(C(=O)NC2=N[C@H](c3ccc(C)cc3)CC(=O)N2)cc1 ZINC000006817800 EF Annotated Clean CCc1ccc(C(=O)NC2=N[C@@H](c3ccc(C)cc3)CC(=O)N2)cc1 ZINC000006817802 EF Annotated Clean CCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1 ZINC000006820807 EF Annotated Anodyne CCCNC(=O)[C@@H](CC)n1nc(CC)n2c(cc3oc(C)cc32)c1=O ZINC000006821539 EF Annotated Anodyne CCCNC(=O)[C@H](CC)n1nc(CC)n2c(cc3oc(C)cc32)c1=O ZINC000006821542 EF Annotated Anodyne c1ccc2c(c1)nc(NCCc1c[nH]c3ccccc13)c1nnnn12 ZINC000006822695 EF Annotated Anodyne Cc1ccc(NC[C@H](O)Cn2nnnc2-c2ccccc2)cc1Cl ZINC000006822709 EF Annotated Anodyne Cc1ccc(NC[C@@H](O)Cn2nnnc2-c2ccccc2)cc1Cl ZINC000006822712 EF Annotated Anodyne O[C@H](CNc1ccc(F)c(Cl)c1)Cn1nnnc1-c1ccccc1 ZINC000006822749 EF Annotated Anodyne O[C@@H](CNc1ccc(F)c(Cl)c1)Cn1nnnc1-c1ccccc1 ZINC000006822751 EF Annotated Anodyne COc1cccc(CNc2nc3ccc(Cl)cc3n3nnnc23)c1 ZINC000006823207 EF Annotated Anodyne CCOC(=O)C1CCN(Cc2nnc(-c3ccccc3C)o2)CC1 ZINC000006823253 EF Annotated Anodyne CC(C)NC(=O)C1CCN(C(=O)N2C[C@@H](C)Oc3ccccc32)CC1 ZINC000006841996 EF Annotated Anodyne CC(C)NC(=O)C1CCN(C(=O)N2C[C@H](C)Oc3ccccc32)CC1 ZINC000006841999 EF Annotated Anodyne CCCNC(=O)C1CCN(C(=O)N2C[C@H](C)Oc3ccccc32)CC1 ZINC000006842002 EF Annotated Anodyne CCCNC(=O)C1CCN(C(=O)N2C[C@@H](C)Oc3ccccc32)CC1 ZINC000006842006 EF Annotated Anodyne Cc1c(Cl)cccc1-n1nc(C)c2c(C)cc(=O)n(CC(=O)O)c21 ZINC000006857906 EF Annotated Anodyne Cc1cc2c(n1-c1ccc(C(=O)NCCN(C)C)cc1)CCCC2 ZINC000006877859 EF Annotated Clean CCCc1cc(O)n2nc(NCc3ccccc3OCC)nc2n1 ZINC000006891242 EF Annotated Anodyne Cc1cc2c(cc3c(SCC(=O)NCc4ccco4)nncn32)o1 ZINC000006894026 EF Annotated Anodyne Cc1cc[nH]/c(=N\S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000006899511 EF Annotated Anodyne Cc1ncc(CO)c(/C=N/Nc2ncc(Cl)cc2Cl)c1O ZINC000006901667 EF Annotated Mild Cc1ccc2nc(S[C@@H](C)C(=O)N3C[C@@H](C)O[C@H](C)C3)[nH]c2c1 ZINC000006908912 EF Annotated Anodyne Cc1ccc2nc(S[C@H](C)C(=O)N3C[C@@H](C)O[C@H](C)C3)[nH]c2c1 ZINC000006908924 EF Annotated Anodyne CNC(=O)CCCN1C(=O)c2cccnc2Sc2ccccc21 ZINC000006917470 EF Annotated Anodyne CCOC(=O)Cn1c(=O)cc(C)c2c(C)nn(-c3cccc(F)c3)c21 ZINC000006917783 EF Annotated Anodyne O=C(CS(=O)(=O)c1ccccc1)c1cc2cc(F)ccc2oc1=O ZINC000006918034 EF Annotated Anodyne Cc1c(C(=O)N2CCOCC2)oc2ccc3c(c12)[C@H](O)CC(C)(C)O3 ZINC000006940550 EF Annotated Anodyne Cc1c(C(=O)N2CCOCC2)oc2ccc3c(c12)[C@@H](O)CC(C)(C)O3 ZINC000006940554 EF Annotated Anodyne COCCNC(=O)c1oc2ccc3c(c2c1C)[C@H](O)CC(C)(C)O3 ZINC000006940624 EF Annotated Anodyne COCCNC(=O)c1oc2ccc3c(c2c1C)[C@@H](O)CC(C)(C)O3 ZINC000006940627 EF Annotated Anodyne Cn1cnnc1CC1CCN(Cc2c(Cl)cncc2Cl)CC1 ZINC000065396038 EF Annotated Anodyne c1cncc(CN2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)c1 ZINC000653106392 EF Annotated Anodyne Cc1cnc(-c2cnn3c(=O)cc(-c4ccc5n[nH]cc5c4)[nH]c23)o1 ZINC000653628363 EF Annotated Anodyne Cc1[nH]nc2ccc(-c3cc(=O)n4ncc(-c5ccccn5)c4[nH]3)cc12 ZINC000653628367 EF Annotated Anodyne OC[C@H](Cc1ccccc1)Nc1ncnc2[nH]c3ccc(O)cc3c12 ZINC000653631639 EF Annotated Anodyne O=c1cc(-c2ccc3nn[nH]c3c2)[nH]c2c(Cc3ccccc3)cnn12 ZINC000653662287 EF Annotated Anodyne COc1ccc(-c2cc(=O)n3ncc(-c4ccccn4)c3[nH]2)c(OC)c1 ZINC000653663526 EF Annotated Anodyne COc1ccc(-c2cc(=O)n3ncc(-c4ccccn4)c3[nH]2)cc1OC ZINC000653663546 EF Annotated Anodyne Cc1c(-c2cc(=O)n3ncc(-c4ccccn4)c3[nH]2)ccc2c1OCO2 ZINC000653663957 EF Annotated Anodyne Cc1nn2c(=O)cc(-c3ccc4n[nH]cc4c3)[nH]c2c1-c1ccccn1 ZINC000653664895 EF Annotated Anodyne Nc1ncc(-c2cc(N3CCC3)nc(C3CC3)n2)cc1OC(F)F ZINC000653665409 EF Annotated Anodyne COc1ccc2c(c1)CCc1c-2[nH]c2c(-c3ccccn3)cnn2c1=O ZINC000653666145 EF Annotated Anodyne Cc1nn2c(=O)cc(-c3ccc4nn[nH]c4c3)[nH]c2c1-c1ccccc1 ZINC000653666146 EF Annotated Anodyne O=c1cc(-c2ccc3n[nH]cc3c2)nc2[nH]c(-c3ccc(F)cc3)nn12 ZINC000653666174 EF Annotated Anodyne Nc1nn2c(=O)cc(-c3ccc(F)cc3F)[nH]c2c1-c1ccccn1 ZINC000653668348 EF Annotated Anodyne O=c1cc(-c2ccc3c(c2)OCCO3)[nH]c2c(-c3cccnc3)cnn12 ZINC000653669532 EF Annotated Anodyne O=c1cc(-c2ccc3c(c2)OCCO3)[nH]c2c(-c3ccccn3)cnn12 ZINC000653669542 EF Annotated Anodyne O=C(N=c1cc[nH]c2[nH]c(-c3cccs3)cc12)[C@@H]1CCCNC1 ZINC000653671425 EF Annotated Anodyne O=C(N=c1cc[nH]c2[nH]c(-c3cccs3)cc12)[C@H]1CCCNC1 ZINC000653671426 EF Annotated Anodyne Cc1noc2cc(-c3cc(=O)n4ncc(-c5ncco5)c4[nH]3)ccc12 ZINC000653672745 EF Annotated Anodyne Cc1nn2c(=O)cc(-c3ccc4c(c3)OCO4)[nH]c2c1-c1cccnc1 ZINC000653677665 EF Annotated Anodyne Nc1nn2c(=O)cc(-c3ccc(Cl)cc3)[nH]c2c1-c1ccccn1 ZINC000653678775 EF Annotated Anodyne N[C@@H]1CC[C@@H](NC(=O)c2ccnc3nc(-c4cccs4)[nH]c23)CC1 ZINC000653680409 EF Annotated Anodyne O=c1cc(-c2ccc3n[nH]cc3c2)[nH]c2c(-c3ccccn3)cnn12 ZINC000653681689 EF Annotated Anodyne Cn1ncc2cc(-c3cc(=O)n4ncc(-c5ccccn5)c4[nH]3)ccc21 ZINC000653681792 EF Annotated Anodyne COc1cc(OC)cc(-c2cc(=O)n3ncc(-c4ccccn4)c3[nH]2)c1 ZINC000653685698 EF Annotated Anodyne CN(/N=C/c1ccc(C(=O)O)cc1)C(=O)c1ccc(N(C)C)cc1 ZINC000653687422 EF Annotated Reactive Nc1nc(C(=O)NCc2cccc3cccnc23)c2cc(F)ccc2n1 ZINC000653687430 EF Annotated Anodyne Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccc(F)cc2n1 ZINC000653687443 EF Annotated Anodyne Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(F)c2n1 ZINC000653687457 EF Annotated Anodyne COC(=O)c1cccc(/C=N/N(C)C(=O)c2ccc(N(C)C)cc2)c1 ZINC000653687490 EF Annotated Reactive N[C@H](Cc1cc(Cl)c(Cl)c(-c2cncc(O)c2)c1)C(=O)O ZINC000653688532 EF Annotated Anodyne N=C1NC(=Nc2cccc(C(=O)C3CC3)c2)NC2(CCCCC2)N1 ZINC000653689399 EF Annotated Mild CCCCOc1c(Nc2cc(OC)cc3cccnc23)c(=O)c1=O ZINC000653690011 EF Annotated Anodyne COC(=O)c1ccc(/C=N/N(C)C(=O)c2ccc(N(C)C)cc2)cc1 ZINC000653691202 EF Annotated Reactive O=C1C=C2C=C(c3ccc4c(c3)OCO4)[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31 ZINC000653696810 EF Annotated Anodyne CN(C)c1cccc(C2=CC3=CC(=O)O[C@@]34C[C@@H]2N2CCCC[C@@H]24)c1 ZINC000653696847 EF Annotated Anodyne Nc1nc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1 ZINC000653696863 EF Annotated Anodyne Cc1cc(C)c(CNC(=O)c2cccc3c2nnn3C(C)C)c(O)n1 ZINC000653697136 EF Annotated Anodyne O=c1[nH]c(Oc2cnn(CC3CCCCC3)c2)nc2cnccc12 ZINC000653699216 EF Annotated Anodyne O[C@@]12CC3CC(NCc4cc(-c5cccs5)on4)(C1)C[C@](O)(C3)C2 ZINC000653702253 EF Annotated Anodyne O=C1c2ccccc2C(=O)N1C/C=N/Nc1nc(CCl)cs1 ZINC000653704196 EF Annotated Reactive O=C([C@H](c1ccccc1)S(=O)(=O)O)N1CCC[C@H]2CCCC[C@H]21 ZINC000653704219 EF Annotated Anodyne O=C([C@H](c1ccccc1)S(=O)(=O)O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000653704220 EF Annotated Anodyne O=C([C@H](c1ccccc1)S(=O)(=O)O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000653704221 EF Annotated Anodyne O=C([C@H](c1ccccc1)S(=O)(=O)O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000653704222 EF Annotated Anodyne O/N=C/c1cn(Cc2cn(-c3ccc(F)cc3)nn2)c2ncccc12 ZINC000653704620 EF Annotated Mild CC1(C)OCc2c(Nc3n[nH]c4ccncc34)nc(-c3cn[nH]c3)nc21 ZINC000653707430 EF Annotated Anodyne COc1c(O)c2c(c3c1[C@@H](CO)OC3=O)CC[C@H]1[C@@H]3C[C@@H]3CC[C@]21C ZINC000653707838 EF Annotated Anodyne NC(=O)c1nnc2c3ccccc3c(Oc3cccc(Cl)c3)nn12 ZINC000653708485 EF Annotated Anodyne NC(=O)c1nnc2c3ccccc3c(Oc3ccc(Cl)cc3)nn12 ZINC000653708513 EF Annotated Anodyne CCOC(=O)c1[nH]c2ccccc2c1/C=N\NC(=O)c1ccncc1 ZINC000653708693 EF Annotated Reactive CN(C)c1ccc(C2=CC3=CC(=O)O[C@@]34C[C@@H]2N2CCCC[C@@H]24)cc1 ZINC000653708767 EF Annotated Clean S=C(NCc1cccnc1)SCCc1nnc(-c2cc[nH]c2)o1 ZINC000653708998 EF Annotated Clean O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1ccc([N+](=O)[O-])cc1O ZINC000653710295 EF Annotated Bother COC(=O)C1=CCCN(CCC(=O)N2CCCC23CCCCC3)C1 ZINC000653711363 EF Annotated Anodyne CC1(C)OCc2c(Nc3n[nH]c4ccccc34)nc(-c3cnn[nH]3)nc21 ZINC000653712990 EF Annotated Anodyne CCCn1c(N)c(-c2nc3ccccc3[nH]2)c2nc(C#N)c(C#N)nc21 ZINC000653714212 EF Annotated Mild O/N=C/c1cn(Cc2cn(-c3ccccc3F)nn2)c2ncccc12 ZINC000653717075 EF Annotated Mild CNC(=O)c1c[nH]c2cc(OC)c(OC)cc2c1=Nc1ccccc1 ZINC000653717459 EF Annotated Anodyne CCNS(=O)(=O)c1ccc(NC2C3CC4CC(C3)CC2C4)c(N)c1 ZINC000653717512 EF Annotated Anodyne CCNS(=O)(=O)c1ccc(NC2CC2)c(NCc2ccncc2)c1 ZINC000653717517 EF Annotated Anodyne C[C@@]1(COc2ccc(OC(F)(F)F)cc2)Cn2cc(CO)nc2O1 ZINC000653719908 EF Annotated Anodyne C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2cc(CO)nc2O1 ZINC000653719909 EF Annotated Anodyne Cc1csc(NNC(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2N)n1 ZINC000653719929 EF Annotated Reactive O=C(O)c1ccnc(CNCc2nccn2C/C=C/c2ccccc2)c1 ZINC000653721478 EF Annotated Anodyne O=C(O)CSc1nnc(NC(=S)Nc2ccccc2)s1 ZINC000653721738 EF Annotated Anodyne O=C(O)CSc1nnc(NC(=S)Nc2cccc(F)c2)s1 ZINC000653721741 EF Annotated Anodyne Cc1ccc(NC(=S)Nc2nnc(SCC(=O)O)s2)cc1 ZINC000653723573 EF Annotated Anodyne CCOC(=O)COc1nc(C)nc2c(-c3ccc(Cl)cc3)n[nH]c12 ZINC000653723628 EF Annotated Anodyne COc1cc(C[C@H](O)c2ccc(C#N)cc2)c([N+](=O)[O-])cc1OC ZINC000653723950 EF Annotated Mild COc1cc(C[C@@H](O)c2ccc(C#N)cc2)c([N+](=O)[O-])cc1OC ZINC000653723952 EF Annotated Mild OC12C[C@H]3C[C@@H](C1)CC(Nc1ncnc4c1nn1ccccc41)(C3)C2 ZINC000653723966 EF Annotated Anodyne CC[C@H]1S/C(=N\N=C/c2cccnc2)N(Cc2ccco2)C1=O ZINC000653724783 EF Annotated Mild CC[C@@H]1S/C(=N\N=C/c2cccnc2)N(Cc2ccco2)C1=O ZINC000653724784 EF Annotated Mild O=C(O)CSc1nnc(NC(=S)Nc2ccc(F)cc2)s1 ZINC000653729352 EF Annotated Anodyne N[C@H]1CC[C@@H](Nc2ccnc(O)c2-c2nc3c([nH]2)CCCC3)CC1 ZINC000653731190 EF Annotated Anodyne O=[N+]([O-])c1cnc2n1C[C@@H](COc1ccc(OC(F)(F)F)cc1)O2 ZINC000653732490 EF Annotated Bother O=[N+]([O-])c1cnc2n1C[C@H](COc1ccc(OC(F)(F)F)cc1)O2 ZINC000653732491 EF Annotated Bother Cc1sc(C(=O)Nc2cnn(C)c2)cc1[C@@H]1C[C@H]1NCC1CC1 ZINC000653732511 EF Annotated Anodyne COC(=O)[C@@H](COC(=O)c1ccccc1OC(C)=O)c1ccccc1 ZINC000653733784 EF Annotated Anodyne COC(=O)[C@H](COC(=O)c1ccccc1OC(C)=O)c1ccccc1 ZINC000653733785 EF Annotated Anodyne C[C@@]1(COc2ccc(OC(F)(F)F)cc2)Cn2cc(C=O)nc2O1 ZINC000653737702 EF Annotated Anodyne C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2cc(C=O)nc2O1 ZINC000653737703 EF Annotated Anodyne COc1cc(C(=O)Nc2nsc3ccc([N+](=O)[O-])cc23)ccn1 ZINC000653745138 EF Annotated Bother CC1=C2C=C3[C@@H](O)C[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3[C@@H](O)[C@H]2OC1=O ZINC000653745730 EF Annotated Anodyne COC(=O)c1cccc(Cn2ccc3cc4c(cc3c2=O)OCO4)c1 ZINC000653748804 EF Annotated Anodyne COc1cc2ccn(Cc3cccc([N+](=O)[O-])c3)c(=O)c2cc1OC ZINC000653751566 EF Annotated Bother O=C(O)c1ccc(CNC(=O)c2coc(-c3ccccc3O)n2)cc1 ZINC000653757248 EF Annotated Anodyne CCNC(=O)Nc1cn(CCOC)c2cc(-c3cccnc3)cnc12 ZINC000653766981 EF Annotated Clean COc1cc(N2CCN(Cc3ccncc3)C2=O)ccc1-c1cn[nH]c1 ZINC000653778459 EF Annotated Anodyne O=C(OC1C2CC3CC(C2)CC1C3)c1cc(N(O)[C@H]2CCCO2)on1 ZINC000653781677 EF Annotated Anodyne O=C(OC1C2CC3CC(C2)CC1C3)c1cc(N(O)[C@@H]2CCCO2)on1 ZINC000653781683 EF Annotated Anodyne CN(Cc1ccc(Cl)cc1)Cc1cn([C@H]2CCCN(C)C2)nn1 ZINC000653782502 EF Annotated Anodyne CN(Cc1ccc(Cl)cc1)Cc1cn([C@@H]2CCCN(C)C2)nn1 ZINC000653782503 EF Annotated Anodyne CN(/N=C/c1cccc(C(=O)O)c1)C(=O)c1ccc(N(C)C)cc1 ZINC000653782526 EF Annotated Reactive COc1nsc(NC(=O)C(=O)c2cn(C(C)C)c3ccccc23)n1 ZINC000653785890 EF Annotated Anodyne Nc1nc(C(=O)NCc2cncc3ccccc23)c2cccc(F)c2n1 ZINC000653786708 EF Annotated Anodyne O=C(Cn1cc(-c2cc3cccnc3[nH]2)nn1)c1c[nH]c2ncccc12 ZINC000653788939 EF Annotated Anodyne c1cnc2[nH]c(-c3cn(CCc4c[nH]c5ncccc45)nn3)cc2c1 ZINC000653788956 EF Annotated Anodyne COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3ccncc23)cn1 ZINC000653791925 EF Annotated Anodyne COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3ncccc23)cn1 ZINC000653791964 EF Annotated Anodyne COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3cnccc23)cn1 ZINC000653791987 EF Annotated Anodyne O=C1CS/C(=N\N=C\c2ccco2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000653792903 EF Annotated Mild CC(C)c1nc(C(=O)NC[C@H]2[C@@H]3CN(C(C)C)C[C@H]23)c2ccccn12 ZINC000653793014 EF Annotated Anodyne C[C@@H]1CN2C[C@H]3CCC4=C5C(=CC[C@@]56C(=O)[C@H]1C[C@@H]2[C@@]36C)[C@@H](O)C4 ZINC000653794088 EF Annotated Anodyne O=C(Cn1nncc1-c1cc2cccnc2[nH]1)c1c[nH]c2ncccc12 ZINC000653794417 EF Annotated Anodyne CC(C)OC(=O)c1cc(=O)c(O)c2oc3cc(N(C)C)ccc3nc1-2 ZINC000653794561 EF Annotated Bother Cc1cc(C)n2ncc(C(=O)NC3[C@H]4CC5C[C@H]3CC(C#N)(C5)C4)c2n1 ZINC000653795379 EF Annotated Mild Cn1cnnc1[C@H]1c2nnc(O)c3cccc(c23)N[C@H]1c1ccccc1 ZINC000653795793 EF Annotated Anodyne Cn1cnnc1[C@@H]1c2nnc(O)c3cccc(c23)N[C@H]1c1ccccc1 ZINC000653795796 EF Annotated Anodyne Cn1cnnc1[C@H]1c2nnc(O)c3cccc(c23)N[C@@H]1c1ccccc1 ZINC000653795797 EF Annotated Anodyne Cn1cnnc1[C@@H]1c2nnc(O)c3cccc(c23)N[C@@H]1c1ccccc1 ZINC000653795798 EF Annotated Anodyne O=C1CS/C(=N\N=C2CCCC2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000653796441 EF Annotated Mild COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3cccnc23)cn1 ZINC000653796562 EF Annotated Anodyne c1cnc2[nH]cc(CCn3nncc3-c3c[nH]c4ncccc34)c2c1 ZINC000653796569 EF Annotated Anodyne O=C(Cn1nncc1-c1c[nH]c2ncccc12)c1c[nH]c2ncccc12 ZINC000653796594 EF Annotated Anodyne COc1ncc(NC(=O)C(=O)c2cn(C(C)C)c3ccccc23)cn1 ZINC000653797761 EF Annotated Anodyne COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3ccccc23)nn1 ZINC000653797762 EF Annotated Anodyne COc1nc(NC(=O)C(=O)c2cn(C(C)C)c3ccccc23)ns1 ZINC000653797874 EF Annotated Anodyne Nc1nc(C(=O)NCc2ccnc3ccccc23)c2cccc(F)c2n1 ZINC000653798047 EF Annotated Anodyne Nc1nc(C(=O)NCc2nccc3ccccc23)c2cccc(F)c2n1 ZINC000653798059 EF Annotated Anodyne Nc1nc(C(=O)NCc2cccc3cc[nH]c23)c2cccc(F)c2n1 ZINC000653798074 EF Annotated Anodyne O=C(NCc1ccccc1C(F)(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC000653799310 EF Annotated Anodyne c1cnc2[nH]c(-c3cnnn3CCc3c[nH]c4ncccc34)cc2c1 ZINC000653799462 EF Annotated Anodyne CC1=C2[C@@H](O)C3=CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3[C@@H](O)[C@H]2OC1=O ZINC000653803777 EF Annotated Anodyne Oc1nnc2c3c(cccc13)N[C@H](c1cccnc1)[C@H]2[C@H]1CCCNC1 ZINC000653803784 EF Annotated Anodyne Oc1nnc2c3c(cccc13)N[C@H](c1cccnc1)[C@@H]2[C@@H]1CCCNC1 ZINC000653803789 EF Annotated Anodyne Oc1nnc2c3c(cccc13)N[C@H](c1cccnc1)[C@@H]2[C@H]1CCCNC1 ZINC000653803791 EF Annotated Anodyne Oc1nnc2c3c(cccc13)N[C@H](c1cccnc1)[C@H]2[C@@H]1CCCNC1 ZINC000653803792 EF Annotated Anodyne CC1=C2[C@@H](O)C3=C([C@@H](O)[C@H]2OC1=O)[C@]1(C)CCCC(C)(C)[C@H]1CC3 ZINC000653803809 EF Annotated Anodyne O=C(O)c1cc2c(s1)C(=O)c1c(Br)cccc1C2=O ZINC000653807562 EF Annotated Clean Nc1ccccc1-c1nc(SCC(=O)Nc2ccccc2)n[nH]1 ZINC000653817041 EF Annotated Anodyne CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc(O)c1O ZINC000653819598 EF Annotated Clean CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cccc(O)c1O ZINC000653819638 EF Annotated Clean O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(F)cc1O ZINC000653823314 EF Annotated Reactive CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(O)cc1O ZINC000653825381 EF Annotated Anodyne C[C@@H](Nc1ncnc2ncc(-c3cnn(C)c3)cc12)c1ccncc1 ZINC000653825941 EF Annotated Anodyne C[C@H](Nc1ncnc2ncc(-c3cnn(C)c3)cc12)c1ccncc1 ZINC000653825942 EF Annotated Anodyne Cc1c(C(=O)CSc2nccs2)[n+](=O)c2ccccc2n1O ZINC000653827658 EF Annotated Clean Cc1c(C(=O)CN(C)C2CCCCC2)[n+](=O)c2ccccc2n1O ZINC000653829399 EF Annotated Anodyne Cc1c(C(=O)CN(C)c2ccc(F)cc2)[n+](=O)c2ccccc2n1O ZINC000653833324 EF Annotated Anodyne Cc1ccc(N(C)CC(=O)c2c(C)n(O)c3ccccc3[n+]2=O)cc1 ZINC000653833450 EF Annotated Anodyne C[C@@H]1CN(C(=O)C(C)(C)C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000653835000 EF Annotated Bother C[C@H]1CN(C(=O)C(C)(C)C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000653835001 EF Annotated Bother C[C@@]12CCC[C@]3(COC1=O)[C@@H]2CC[C@@]12C[C@H](CC[C@]13O)[C@](C)(O)C2 ZINC000653845440 EF Annotated Anodyne COc1ccc(-c2c(C=O)c3cc(C#N)c(C#N)cc3n2OC)cc1 ZINC000653846491 EF Annotated Mild COc1ccc(-c2c(CO)c3cc(C#N)c(C#N)cc3n2OC)cc1 ZINC000653846492 EF Annotated Mild O=C1O[C@]2(C(=O)N(c3ccccc3)C(=O)N2C2CC2)c2ccccc21 ZINC000653847652 EF Annotated Anodyne O=C1O[C@@]2(C(=O)N(c3ccccc3)C(=O)N2C2CC2)c2ccccc21 ZINC000653847653 EF Annotated Anodyne CCN(Cc1cc(=O)n2c(CO)c(C)sc2n1)c1ccc(F)cc1 ZINC000653850978 EF Annotated Anodyne CCCN1C(=O)N(c2ccccc2)C(=O)[C@]12OC(=O)c1ccccc12 ZINC000653851592 EF Annotated Anodyne CCCN1C(=O)N(c2ccccc2)C(=O)[C@@]12OC(=O)c1ccccc12 ZINC000653851593 EF Annotated Anodyne CC(C)CCOCn1c(COCc2ccccc2)cc(O)nc1=O ZINC000653853322 EF Annotated Anodyne Cc1ccc(C(=O)Cc2cc(C(=O)O)c(C(=O)O)cc2[N+](=O)[O-])cc1 ZINC000653854689 EF Annotated Bother C[C@H]1C[C@@H](C)CN(CCCOc2ccc(=O)n(-c3ccccc3)n2)C1 ZINC000653856980 EF Annotated Anodyne C[C@@H]1C[C@@H](C)CN(CCCOc2ccc(=O)n(-c3ccccc3)n2)C1 ZINC000653856981 EF Annotated Anodyne C[C@H]1C[C@H](C)CN(CCCOc2ccc(=O)n(-c3ccccc3)n2)C1 ZINC000653856982 EF Annotated Anodyne COc1cc(-c2cn(C)c(=O)c(C)c2C)c(OC)cc1CN(C)C ZINC000653857492 EF Annotated Anodyne COc1cc(-c2cc(C)c(=O)n(C)c2C)c(OC)cc1CN(C)C ZINC000653857567 EF Annotated Anodyne CC[C@@H](NC(=O)c1cccc2c1N[C@H](C)CC(=O)N2)c1cnco1 ZINC000653857912 EF Annotated Anodyne COc1ccc(C#CC2=C[C@@H]3C[C@@]4(OC(=O)C=C24)[C@H]2CCCCN32)cc1 ZINC000653861790 EF Annotated Mild Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N[C@H](C(=O)O)C(C)C)O2 ZINC000653862977 EF Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N[C@H](C(=O)O)C(C)C)O2 ZINC000653862985 EF Annotated Anodyne O=C(/C=C/N1CCc2c(ncnc2NC2CC2)C1)c1ccccc1O ZINC000653876618 EF Annotated Mild C=C(C)C(=O)O[C@H]1C/C(C=O)=C\CC/C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12 ZINC000653884733 EF Annotated Reactive CC(C)(O)[C@@H](O)Cc1c(O)ccc(C(=O)/C=C/c2ccccc2)c1O ZINC000653884766 EF Annotated Mild CC(C)(O)[C@H](O)Cc1c(O)ccc(C(=O)/C=C/c2ccccc2)c1O ZINC000653884767 EF Annotated Mild CCc1nn(CCO)nc1[C@@H](OC)c1cc(Cl)cc(Cl)c1 ZINC000653889532 EF Annotated Anodyne CCc1nn(CCO)nc1[C@H](OC)c1cc(Cl)cc(Cl)c1 ZINC000653889536 EF Annotated Anodyne O=S(=O)(Oc1cc(CSc2ccccn2)[nH]n1)c1ccccc1 ZINC000653889617 EF Annotated Anodyne CN(C)c1ccc(C2=C[C@@H]3C[C@@]4(OC(=O)C=C24)[C@H]2CCCCN32)cc1 ZINC000653893406 EF Annotated Clean O=C(N/N=C/c1ccc(F)cc1)c1c[nH]c2c(F)cccc2c1=O ZINC000653897469 EF Annotated Reactive O=C1C=C2C(C#Cc3ccc(F)cc3)=C[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31 ZINC000653897479 EF Annotated Mild O=C1CS/C(=N\N=C2CCCC2)N1Cc1ccccc1[N+](=O)[O-] ZINC000653899336 EF Annotated Mild COc1cc(-c2cc(C)c(=O)n(C)c2C)cc(OC)c1CN(C)C ZINC000653899360 EF Annotated Anodyne COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN(C)C ZINC000653899372 EF Annotated Anodyne O=C1CS/C(=N\N=C2CCCC2)N1Cc1cccc([N+](=O)[O-])c1 ZINC000653899408 EF Annotated Mild CCOP(=O)(OCC)C(C)(C)/[N+]([O-])=C/c1cc(O)c(O)c(O)c1 ZINC000653901834 EF Annotated Mild Nc1nc(O)c2nc(SCc3ccc(C(F)(F)F)cc3)[nH]c2n1 ZINC000653903303 EF Annotated Anodyne O=C(N/N=C/c1cccc(F)c1)c1c[nH]c2c(F)cccc2c1=O ZINC000653914354 EF Annotated Reactive C/C(=N/N=C1\SCC(=O)N1Cc1ccc(N)cc1)c1ccccn1 ZINC000653915938 EF Annotated Mild CCn1cc(C(C)=O)c(=O)c2cc(N3CCOCC3)c(Cl)cc21 ZINC000653916409 EF Annotated Anodyne CC(C)[C@H](NC(=O)Nc1cnn(CC(N)=O)c1)c1ccc(Cl)cc1 ZINC000065584963 EF Annotated Anodyne CC(C)[C@@H](NC(=O)Nc1cnn(CC(N)=O)c1)c1ccc(Cl)cc1 ZINC000065584966 EF Annotated Anodyne Cn1ccc(NC(=O)c2cn(Cc3cccc(C(F)(F)F)c3)cn2)n1 ZINC000066066650 EF Annotated Anodyne Cn1ccc(NC(=O)c2cn(CCc3ccccc3Cl)cn2)n1 ZINC000066074099 EF Annotated Anodyne Cc1nc(N)c2ccc(C)c(C(=O)Nc3cnc4[nH]ccc4c3)c2n1 ZINC000066074148 EF Annotated Anodyne Cc1cc(C(=O)Nc2cnc3[nH]ccc3c2)c2nc(C)nc(N)c2c1 ZINC000066074149 EF Annotated Anodyne COc1ccccc1CCNc1cc(-c2ccncn2)cc(=O)n1C ZINC000066074315 EF Annotated Anodyne COc1ncc(N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)cn1 ZINC000066074501 EF Annotated Anodyne CN[C@H](Cc1ccc(O)cc1)[C@H](O)CC/C=C/[C@@H](C)C[C@@H](C)CO ZINC000066074662 EF Annotated Anodyne NCCCCN(Cc1ncccc1N)[C@H]1CCCc2cccnc21 ZINC000066075537 EF Annotated Anodyne Cc1ccc2c(c1)CCN(Cc1cc(C(=O)O)c(=O)n3ccccc13)C2 ZINC000066076959 EF Annotated Anodyne NCCCCN(Cc1ncccc1N)[C@@H]1CCCc2cccnc21 ZINC000066077022 EF Annotated Anodyne CCc1cnc(N2CCN(Cc3cc(N)ccc3Cl)CC2)nc1 ZINC000066077151 EF Annotated Anodyne O=[N+]([O-])c1cn(C[C@@H](O)c2ccc(Cl)cc2)c(Br)n1 ZINC000066077248 EF Annotated Bother O=[N+]([O-])c1cn(C[C@H](O)c2ccc(Cl)cc2)c(Br)n1 ZINC000066077251 EF Annotated Bother Cc1ccc([C@H](O)Cn2cc([N+](=O)[O-])nc2Br)c(C)c1 ZINC000066077268 EF Annotated Bother Cc1ccc([C@@H](O)Cn2cc([N+](=O)[O-])nc2Br)c(C)c1 ZINC000066077271 EF Annotated Bother CN(C)C(=O)C[S@@](=O)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000066077338 EF Annotated Anodyne CN(C)C(=O)C[S@](=O)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000066077340 EF Annotated Anodyne COc1nc([N+](=O)[O-])cn1C[C@H](O)c1ccc(Cl)cc1Cl ZINC000066078452 EF Annotated Bother COc1nc([N+](=O)[O-])cn1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000066078454 EF Annotated Bother Cc1nc(N)c2ccc(C)c(C(=O)Nc3ccc(N(C)C)nc3)c2n1 ZINC000066078802 EF Annotated Anodyne Cc1cc(C(=O)Nc2ccc(N(C)C)nc2)c2nc(C)nc(N)c2c1 ZINC000066078803 EF Annotated Anodyne O=[N+]([O-])c1cn(C[C@@H](O)c2ccc(F)cc2F)c(Br)n1 ZINC000066078972 EF Annotated Bother O=[N+]([O-])c1cn(C[C@H](O)c2ccc(F)cc2F)c(Br)n1 ZINC000066078973 EF Annotated Bother COC(=O)c1c(N)oc2c1c(Br)c(O)c1ncccc12 ZINC000066097203 EF Annotated Anodyne CCOP(=O)(CC(=O)Nc1nc(C)c(C(C)=O)s1)OCC ZINC000066098148 EF Annotated Anodyne Nc1nc(-c2ccc(P(=O)(O)O)o2)c(C2CCCCC2)s1 ZINC000066099559 EF Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2ccc3c(nnn3Cc3ccccc3)c21 ZINC000066100713 EF Annotated Anodyne Cc1cc(C2=NCCN2)ccc1-c1cc2cc(C3=NCCN3)ccc2[nH]1 ZINC000066100899 EF Annotated Anodyne CC(C)C1=C[C@]2(O)CC[C@H]3[C@]4(C)CCC[C@]3(C(=O)OC4)C2=CC1=O ZINC000066100912 EF Annotated Mild CC(C)C1=C[C@]23O[C@H]2[C@H]2OC(=O)[C@@]4(CCCC(C)(C)[C@H]24)C3=CC1=O ZINC000066100959 EF Annotated Mild CC(C)(C)Sc1sc(N)nc1-c1ccc(P(=O)(O)O)o1 ZINC000066101227 EF Annotated Anodyne Nc1nc(-c2ccc(P(=O)(O)O)o2)c(-c2cccs2)s1 ZINC000066102095 EF Annotated Anodyne Nc1nc(-c2ccc(P(=O)(O)O)o2)c(CC2CCCC2)s1 ZINC000066104037 EF Annotated Anodyne CN1CCC(n2cc(-c3nnc(-c4cccc(Cl)c4)o3)nn2)CC1 ZINC000066104559 EF Annotated Anodyne Nc1nc(-c2ccc(P(=O)(O)O)o2)c(CC2CCCCC2)s1 ZINC000066104652 EF Annotated Anodyne Nc1nc(-c2ccc(P(=O)(O)O)o2)c(-c2ccc(F)cc2)s1 ZINC000066112056 EF Annotated Anodyne O=C(N/N=C/c1ccc(NC(=O)C(F)(F)F)cc1)C1CCCC1 ZINC000066123902 EF Annotated Reactive COc1ccc2c(c1)CO[C@H]([C@H](O)CO)[C@@H]2/C=C/c1ccccc1 ZINC000066129232 EF Annotated Anodyne C[C@H](O)c1ccc(-c2ccc3ncnc(N4CCOCC4)c3c2)o1 ZINC000066148439 EF Annotated Anodyne C[C@@H](O)c1ccc(-c2ccc3ncnc(N4CCOCC4)c3c2)o1 ZINC000066148441 EF Annotated Anodyne C=CCNC(=O)[C@H]1C=C(OC)C(=O)C[C@H]2c3ccccc3C[C@@]12C ZINC000066156430 EF Annotated Mild C=CCNC(=O)[C@H]1C=C(OC)C(=O)C[C@H]2c3ccccc3C[C@]12C ZINC000066156432 EF Annotated Mild C=CC/N=C1\N[C@H](CCc2ccccc2)C(C(=O)OC)=C(C)N1CC ZINC000066156858 EF Annotated Mild CCOC(=O)[C@@]12[C@H](c3ccccc3)NC(=O)N3CC[C@@H]([C@@H]31)C2(C)C ZINC000066157464 EF Annotated Anodyne CCOC(=O)[C@]12[C@H](c3ccccc3)NC(=O)N3CC[C@@H]([C@@H]31)C2(C)C ZINC000066157466 EF Annotated Anodyne CCOC(=O)[C@@]12[C@@H](c3ccccc3)NC(=O)N3CC[C@@H]([C@@H]31)C2(C)C ZINC000066157468 EF Annotated Anodyne CCOC(=O)[C@]12[C@@H](c3ccccc3)NC(=O)N3CC[C@@H]([C@@H]31)C2(C)C ZINC000066157470 EF Annotated Anodyne Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)[nH]n1 ZINC000066157633 EF Annotated Anodyne Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccc2F)[nH]n1 ZINC000066157634 EF Annotated Anodyne CCCCCCCCn1n[n+](C)c2c1C(=O)c1ccccc1C2=O ZINC000066166225 EF Annotated Mild O=C(O)c1c(CN2C(=O)Cc3ccc(Cl)cc32)ccc2c1OCO2 ZINC000066166929 EF Annotated Anodyne O=C(O)c1c(CN2C(=O)Cc3cc(Cl)ccc32)ccc2c1OCO2 ZINC000066166931 EF Annotated Anodyne C=C(C=O)[C@@H]1CCC2=C(C1)C(=O)[C@@H](O)[C@@H]1C(C)(C)[C@H](O)CC[C@@]21C ZINC000066251014 EF Annotated Reactive Nc1c2c(nc3c(-c4ncccn4)cccc13)CN(C1CCC1)C2=O ZINC000066251270 EF Annotated Anodyne Nc1c2c(nc3c(-c4cncnc4)cccc13)CN(C1CCC1)C2=O ZINC000066251272 EF Annotated Anodyne Nc1ccc(C(=O)N(/N=C/c2ccco2)C(=O)c2cccnc2)cc1 ZINC000066251646 EF Annotated Reactive COc1cc2c(=O)n(C)c3c4ccccc4[nH]c(=O)c3c2cc1OC ZINC000066251772 EF Annotated Bother COC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2Cc3ccccc3CN2C1(C)C ZINC000066259654 EF Annotated Anodyne CC(C)(C)NC(=O)COC(=O)c1ccc(C(=O)c2ccccc2)o1 ZINC000066259944 EF Annotated Anodyne C=C(C=O)[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)[C@@H](O)[C@@H]1C(C)(C)[C@H](O)CC[C@]12C ZINC000066262679 EF Annotated Reactive Nc1nc(N2CCOCC2)c2sc(/C=C/c3ccccc3)nc2n1 ZINC000066263279 EF Annotated Anodyne c1ccc(-c2nc3c(c(NCc4n[nH]c5c4CCC5)n2)CCNC3)cc1 ZINC000067674830 EF Annotated Anodyne C[C@@H](c1ccccn1)N(C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067677301 EF Annotated Anodyne C[C@H](c1ccccn1)N(C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067677303 EF Annotated Anodyne CCc1nc(C)c([C@@H]2CC(=O)Nc3c2c(-c2ccccn2)nn3C)[nH]1 ZINC000067741748 EF Annotated Anodyne CCc1nc(C)c([C@H]2CC(=O)Nc3c2c(-c2ccccn2)nn3C)[nH]1 ZINC000067741750 EF Annotated Anodyne COc1ccc(C[C@@H]2CC[C@H](CN(C)C3CCN(C)CC3)O2)cc1 ZINC000067774011 EF Annotated Anodyne C[C@@H](c1cccnc1)N(C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067851154 EF Annotated Anodyne C[C@H](c1cccnc1)N(C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067851156 EF Annotated Anodyne O=C(c1ccc(=O)[nH]c1)N1CCC[C@]2(C=Cc3ccccc3O2)CC1 ZINC000067872236 EF Annotated Anodyne O=C(c1ccc(=O)[nH]c1)N1CCC[C@@]2(C=Cc3ccccc3O2)CC1 ZINC000067872238 EF Annotated Anodyne COCCN1CCC[C@]2(CCN(Cc3csc(C(C)=O)c3)C2)C1 ZINC000067934143 EF Annotated Anodyne COCCN1CCC[C@@]2(CCN(Cc3csc(C(C)=O)c3)C2)C1 ZINC000067934144 EF Annotated Anodyne Cc1cnc(C)n2nc(CCc3nc(-c4ccccc4)cn3C)nc12 ZINC000068196992 EF Annotated Anodyne CO/C=C/C(=O)c1cc2c3c(c(N)cc(NC(=O)C(C)C)c3n1)N=C2 ZINC000068198666 EF Annotated Mild CC#Cc1cncc(-c2csc([C@]3(C)CC(=O)N(C)C(=N)N3)c2)c1 ZINC000068198835 EF Annotated Mild O=C(c1ccccc1Cl)N1CCn2c(nnc2-c2cscn2)C1 ZINC000068248065 EF Annotated Anodyne Cc1cccc(C)c1/C=C/C1CCN(C(=O)CN2CCOCC2)CC1 ZINC000068251496 EF Annotated Anodyne in-vivo CC1=CCC[C@H]2[C@@]1(C=O)[C@@H](O)C[C@@H](C)[C@]2(C)CC/C(=C/CO)CO ZINC000069481947 EF Annotated Mild in-vitro biogenic C=C1C2=C(O)[C@H](C)[C@H](O)C=C2C(=O)c2c(OC)cc(OC)c(OC)c21 ZINC000069482145 EF Annotated Mild in-vitro biogenic C#CC1=C(C(=O)OC)[C@@H]2[C@@H](O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2C[C@H]1O ZINC000069482302 EF Annotated Mild in-vitro biogenic C/C1=C\[C@]23O[C@H]2[C@@H](C)C[C@@H]3C(=O)[C@@]2(C)C(=O)CC(C)(C)[C@H]2CC1=O ZINC000069482316 EF Annotated Mild in-vitro biogenic C[C@@H]1C(=O)C[C@@]23COC(=O)C2=CCC[C@H]3[C@@]1(C)CCC1=CC(=O)OC1 ZINC000069482565 EF Annotated Anodyne in-vitro biogenic Cc1cc(OC/C(O)=N/S(=O)(=O)c2cccnc2)ccc1Cl ZINC000069572782 EF Annotated Mild CC(C)c1nccn1[C@@H]1CCCN(C(=O)c2ccc3nncn3c2)C1 ZINC000069873993 EF Annotated Anodyne CC(C)c1nccn1[C@H]1CCCN(C(=O)c2ccc3nncn3c2)C1 ZINC000069873996 EF Annotated Anodyne CC(C)Cn1cc(NC(=O)N2CCOCC2)c2ccccc2c1=O ZINC000007000791 EF Annotated Anodyne COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCCCC1 ZINC000007005170 EF Annotated Anodyne CCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 ZINC000007005418 EF Annotated Anodyne C=CCC1=C[C@@]2(OC)[C@H](O)[C@@H](C1=O)[C@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000070454347 EF Annotated Mild in-vitro biogenic C[C@H](O)[C@@H]1CC[C@H](CCCCCCCCC[C@@H](O)CC(=O)O)N1 ZINC000070455348 EF Annotated Anodyne in-vitro biogenic Cc1cc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(F)cc2)no1 ZINC000070725312 EF Annotated Anodyne Cc1cc(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(F)cc2)no1 ZINC000070725313 EF Annotated Anodyne Cc1cc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccccc2F)no1 ZINC000070725314 EF Annotated Anodyne Cc1cc(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccccc2F)no1 ZINC000070725316 EF Annotated Anodyne COc1cccc([C@H]2c3nc[nH]c3CCN2C(=O)c2cc(C)on2)c1 ZINC000070725317 EF Annotated Anodyne COc1cccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2cc(C)on2)c1 ZINC000070725321 EF Annotated Anodyne CCN(Cc1ccncc1)C[C@@H]1CCCN(C(=O)c2cc(C)on2)C1 ZINC000070725339 EF Annotated Anodyne CCN(Cc1ccncc1)C[C@H]1CCCN(C(=O)c2cc(C)on2)C1 ZINC000070725340 EF Annotated Anodyne O=C(OCCCl)N1N=C(c2ccccc2)NN=C1c1ccccc1 ZINC000071257160 EF Annotated Reactive Cc1ccccc1N1CCN(C2=CC(=O)c3cccc(O)c3C2=O)CC1 ZINC000071281478 EF Annotated Mild CCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 ZINC000071282359 EF Annotated Reactive O=C(c1ccco1)c1cnn2c1n[n+]([O-])c1ccc(-c3ccco3)cc12 ZINC000071294270 EF Annotated Anodyne Cc1cc(N[C@@H]2Cc3ccc(Br)cc3C2)n2ncnc2n1 ZINC000071294746 EF Annotated Anodyne Cc1cc(N[C@H]2Cc3ccc(Br)cc3C2)n2ncnc2n1 ZINC000071294747 EF Annotated Anodyne O=C1OCC2=C1[C@H](c1cccc(Br)c1)c1cn[nH]c1N2 ZINC000071295050 EF Annotated Anodyne O=C1OCC2=C1[C@@H](c1cccc(Br)c1)c1cn[nH]c1N2 ZINC000071295051 EF Annotated Anodyne NC1=NC2(CCCCC2)NC(NCCCOc2ccc(Cl)cc2)=N1 ZINC000071295247 EF Annotated Anodyne COc1ccc(O[C@@H]2C=CC(=O)[C@@H](COC(=O)C(C)(C)C)O2)cc1 ZINC000071295642 EF Annotated Mild O=C1OCC2=C1[C@H](c1cc(Br)cs1)c1cn[nH]c1N2 ZINC000071295709 EF Annotated Anodyne O=C1OCC2=C1[C@@H](c1cc(Br)cs1)c1cn[nH]c1N2 ZINC000071295710 EF Annotated Anodyne NCCCCNc1ccnc(-c2ccc3oc(C(=O)O)cc3c2)n1 ZINC000071296086 EF Annotated Anodyne CCOC(=O)[C@@](O)(c1c(C)[nH]c2ccc(OC)cc12)C(F)(F)F ZINC000071296847 EF Annotated Anodyne CCOC(=O)[C@](O)(c1c(C)[nH]c2ccc(OC)cc12)C(F)(F)F ZINC000071296848 EF Annotated Anodyne CN1O[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[C@H]1P(=O)(O)O ZINC000071296966 EF Annotated Anodyne O=C(c1ncccn1)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000071315799 EF Annotated Anodyne Cc1ccc(S(=O)(=O)c2c(N)ccc3nc(C)c(C)nc23)cc1 ZINC000071316001 EF Annotated Anodyne CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)C(C#N)=C[C@]3(C#N)CC[C@@H]12 ZINC000071316034 EF Annotated Reactive Cn1ccnc1C(=O)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000071316243 EF Annotated Anodyne CN1CC[C@H](C(=O)N2CC[C@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)C1 ZINC000071316597 EF Annotated Anodyne CN1CC[C@@H](C(=O)N2CC[C@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)C1 ZINC000071316598 EF Annotated Anodyne C[C@@H]1COc2ccccc2N1C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000071317053 EF Annotated Anodyne C[C@H]1COc2ccccc2N1C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000071317054 EF Annotated Anodyne CCCc1nc2ccccc2c(=O)n1/N=C1/C(=O)Nc2ccccc21 ZINC000071317066 EF Annotated Mild CN1CC[C@H](C(=O)N2CC[C@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)C1 ZINC000071317229 EF Annotated Anodyne CN1CC[C@@H](C(=O)N2CC[C@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)C1 ZINC000071317230 EF Annotated Anodyne O=C(c1ccncn1)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000071318100 EF Annotated Anodyne CN1CCC(n2cc(-c3noc(-c4ccc(Cl)cc4)n3)nn2)CC1 ZINC000071318526 EF Annotated Anodyne CN1O[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@H]1P(=O)(O)O ZINC000071318528 EF Annotated Anodyne Cc1ccc2c(c1)[n+]([O-])c(C(F)(F)F)c(C(=O)c1ccccc1)[n+]2[O-] ZINC000071319089 EF Annotated Anodyne O=C(c1ccon1)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000071319194 EF Annotated Anodyne O=C1Nc2ccccc2[C@@H]1c1ccnc(Nc2ccc(O)cc2O)n1 ZINC000071319247 EF Annotated Anodyne CC1(C)C(=O)C(C(=O)O)=C[C@]2(C)C3=CC(=O)C(C#N)=C[C@]3(C)CC[C@@H]12 ZINC000071319357 EF Annotated Reactive COc1cc([C@H]2C3=C(COC3=O)Nc3ccc4cn[nH]c4c32)ccc1O ZINC000071329105 EF Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)Nc3ccc4cn[nH]c4c32)ccc1O ZINC000071329106 EF Annotated Anodyne COc1ccc([C@H]2C3=C(COC3=O)Nc3ccc4cn[nH]c4c32)cc1O ZINC000071329146 EF Annotated Anodyne COc1ccc([C@@H]2C3=C(COC3=O)Nc3ccc4cn[nH]c4c32)cc1O ZINC000071329147 EF Annotated Anodyne C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2[C@]2(CC[C@@H]3C(C)C)CO2)[C@](C)(O)CC[C@@H]1O ZINC000071329171 EF Annotated Mild Cc1nnc(C2CCN(C(=O)N3CCCc4ccccc43)CC2)n1C ZINC000071329194 EF Annotated Anodyne O=c1[nH]nc2n1-c1ccc(OCc3ccccc3F)cc1CCC2 ZINC000071329687 EF Annotated Anodyne Cc1ccc2c(c1)[n+]([O-])c(C(F)F)c(C(=O)c1ccccc1)[n+]2[O-] ZINC000071329739 EF Annotated Anodyne O=C(c1cnco1)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000071330459 EF Annotated Anodyne Oc1ccccc1-c1nnc(Cc2nnc(-c3ccccc3O)o2)o1 ZINC000071331063 EF Annotated Anodyne O=c1cc2c(nn1Cc1ccccc1)-c1c(nn3ccccc13)CC2 ZINC000071331090 EF Annotated Anodyne O=C(O)c1cn(Cc2ccc3[nH]ncc3c2)c2cccc(F)c2c1=O ZINC000071331718 EF Annotated Anodyne C[C@@]1(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)OC(=O)NC1=O ZINC000071332280 EF Annotated Anodyne C[C@]1(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)OC(=O)NC1=O ZINC000071332282 EF Annotated Anodyne O=C1N(CC2CCC2)c2ccccc2[C@]1(O)c1ccc2c(c1)OCO2 ZINC000071332630 EF Annotated Anodyne O=C1N(CC2CCC2)c2ccccc2[C@@]1(O)c1ccc2c(c1)OCO2 ZINC000071332632 EF Annotated Anodyne C#CCOc1ccc2c(c1)C(=O)c1c-2c(=O)n(CC#C)c2ccccc12 ZINC000071333635 EF Annotated Mild O=C1N(CCC2CC2)c2ccccc2[C@]1(O)c1ccc2c(c1)OCO2 ZINC000071334873 EF Annotated Anodyne O=C1N(CCC2CC2)c2ccccc2[C@@]1(O)c1ccc2c(c1)OCO2 ZINC000071334875 EF Annotated Anodyne Oc1ccc(/C=N/Nc2cc(N/N=C/c3ccc(O)cc3)[nH]n2)cc1 ZINC000071334918 EF Annotated Mild Oc1ccc(-c2nnc(Cc3nnc(-c4ccc(O)cc4)o3)o2)cc1 ZINC000071340524 EF Annotated Anodyne Cc1nc2c3c(Br)cccc3nc(SCC#N)n2n1 ZINC000071340908 EF Annotated Mild Cc1nc2c3cc(Br)ccc3nc(SCC#N)n2n1 ZINC000071340909 EF Annotated Mild COc1cccc(CCC(=O)C[C@H](O)CCc2cccnc2)c1OC ZINC000071340926 EF Annotated Anodyne COc1cccc(CCC(=O)C[C@@H](O)CCc2cccnc2)c1OC ZINC000071340927 EF Annotated Anodyne O=C1c2ccncc2C(=O)c2c1ccn2CCCCCCCN1CC1 ZINC000071341982 EF Annotated Clean C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@@H]2[C@H]3C(=O)O ZINC000071757923 EF Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@@H]2[C@@H]3C(=O)O ZINC000071757928 EF Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@@H]2[C@@H]3C(=O)O ZINC000071757934 EF Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]12CCC[C@](C)(C(=O)OC1)[C@@H]2[C@H]3C(=O)O ZINC000071757936 EF Annotated Mild in-man endogenous NCCC[C@@H](C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071791553 EF Annotated Anodyne NCCC[C@H](C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071791554 EF Annotated Anodyne CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1cc([N+](=O)[O-])ccc1O ZINC000071928207 EF Annotated Clean O=C1NCc2ccccc2C[C@@]12CCN(Cc1ccncc1Cl)C2 ZINC000071994129 EF Annotated Anodyne O=C1NCc2ccccc2C[C@]12CCN(Cc1ccncc1Cl)C2 ZINC000071994130 EF Annotated Anodyne CC(C)CNC(=O)c1cc(C2CC2)nc2c1c([C@@H]1CCCN1)nn2C ZINC000071995155 EF Annotated Anodyne CC(C)CNC(=O)c1cc(C2CC2)nc2c1c([C@H]1CCCN1)nn2C ZINC000071995156 EF Annotated Anodyne Cc1cc(C(=O)NCc2cccs2)c2c([C@@H]3CCCN3)noc2n1 ZINC000071995411 EF Annotated Anodyne Cc1cc(C(=O)NCc2cccs2)c2c([C@H]3CCCN3)noc2n1 ZINC000071995412 EF Annotated Anodyne O=C(NCC1CC1)c1cc(C2CC2)nc2onc([C@@H]3CCCNC3)c12 ZINC000071995645 EF Annotated Anodyne O=C(NCC1CC1)c1cc(C2CC2)nc2onc([C@H]3CCCNC3)c12 ZINC000071995646 EF Annotated Anodyne CC(C)CNC(=O)c1cc(C2CC2)nc2onc(C3CCNCC3)c12 ZINC000071995672 EF Annotated Anodyne COc1ccc(Oc2ncccc2/C(=N/O)NCCSC)cc1 ZINC000072100812 EF Annotated Mild CC1=NCCN1/C(=N\O)c1ccc(C)nc1OCc1cccc(F)c1 ZINC000072100914 EF Annotated Mild Cc1ccc(/C(=N/O)NCc2ccccn2)c(Oc2cccnc2)n1 ZINC000072101374 EF Annotated Mild Cc1ccc(/C(=N/O)NCc2ccco2)c(OCc2ccncc2)n1 ZINC000072101389 EF Annotated Mild Cc1ccc(/C(=N/O)N2CCSCC2)c(Oc2cccnc2)n1 ZINC000072101673 EF Annotated Mild COc1cc(C)ccc1Oc1ncccc1/C(=N/O)N1CCOCC1 ZINC000072102027 EF Annotated Mild COC[C@H](C)N/C(=N\O)c1cccnc1OCc1ccccc1F ZINC000072102122 EF Annotated Mild COC[C@@H](C)N/C(=N\O)c1cccnc1OCc1ccccc1F ZINC000072102123 EF Annotated Mild Cc1ccc(/C(=N/O)N2CCN(C)CC2)c(Oc2cccc(F)c2)n1 ZINC000072102221 EF Annotated Mild O/N=C(/c1cccnc1Oc1ccccc1Cl)N1CCOCC1 ZINC000072102265 EF Annotated Mild Cc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCN(C)CC2)cc1 ZINC000072102298 EF Annotated Mild Cc1cccc(Oc2nc(C)ccc2/C(=N/O)NCCN(C)C)c1 ZINC000072102326 EF Annotated Mild COc1cccc(CN/C(=N\O)c2cccnc2OC2CCC2)c1 ZINC000072102411 EF Annotated Mild COc1cc(-c2nc(Cn3ccnc3C)co2)cc(OC)c1OC ZINC000072102771 EF Annotated Anodyne c1ccc2c(-c3nc(CNCCN4CCOCC4)co3)cccc2c1 ZINC000072102950 EF Annotated Anodyne Cc1ccc(/C(=N/O)NCc2ccccn2)c(OCc2ccccn2)n1 ZINC000072103097 EF Annotated Mild CCS(=O)(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 ZINC000072103179 EF Annotated Anodyne CCS(=O)(=O)N[C@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 ZINC000072103180 EF Annotated Anodyne CCC(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072103287 EF Annotated Anodyne CCC(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072103288 EF Annotated Anodyne CCCCNC(=O)[C@]1(C)CCC(=O)N1c1cc(C(C)(C)C)nn1C ZINC000072104666 EF Annotated Anodyne CCCCNC(=O)[C@@]1(C)CCC(=O)N1c1cc(C(C)(C)C)nn1C ZINC000072104667 EF Annotated Anodyne CN(C1=CC(=O)c2cnc3c(c2C1=O)C(=O)CCC3)c1ccccc1 ZINC000072105419 EF Annotated Mild C=C[C@]1(C)C=C2C(=O)C3=C4[C@@](C)(CC[C@@H](O)[C@]4(C)[C@@]2(O)CC1)CO3 ZINC000072105469 EF Annotated Mild O=C1C(=O)c2cccc3c2C(=C1Cl)OC[C@@]3(O)c1ccc(F)cc1 ZINC000072106212 EF Annotated Mild O=C1C(=O)c2cccc3c2C(=C1Cl)OC[C@]3(O)c1ccc(F)cc1 ZINC000072106213 EF Annotated Mild CN(C1=CC(=O)c2c(cnc3c2C(=O)CCC3)C1=O)c1ccccc1 ZINC000072106453 EF Annotated Mild O=C1C(=O)c2cccc3c2C(=C1Cl)OC[C@@]3(O)Cc1ccccc1 ZINC000072106585 EF Annotated Mild O=C1C(=O)c2cccc3c2C(=C1Cl)OC[C@]3(O)Cc1ccccc1 ZINC000072106586 EF Annotated Mild CC(C)CN1c2nccc[n+]2C[C@@]1(O)c1ccc(Cl)c(Cl)c1 ZINC000072106632 EF Annotated Anodyne O=C1C(=O)c2cccc3c2C(=C1Cl)OC[C@@]3(O)c1ccccc1 ZINC000072106661 EF Annotated Mild O=C1C(=O)c2cccc3c2C(=C1Cl)OC[C@]3(O)c1ccccc1 ZINC000072106662 EF Annotated Mild Cn1cc(C(=O)NC(=S)Nc2c(Cl)cccc2Cl)cn1 ZINC000072106789 EF Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)C1=C[C@@H](OC(=O)CCC)C(=O)[C@]12C ZINC000072106793 EF Annotated Mild CCN(CC)CC(=O)Nc1csc2c1C(=O)c1ccccc1C2=O ZINC000072106806 EF Annotated Clean Cc1cccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1C ZINC000072107070 EF Annotated Anodyne Cc1cs/c(=N\C(=O)c2cnn(C)c2)n1-c1ccc(Cl)cc1 ZINC000072107107 EF Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(OC(=O)CCC)C=CC(=O)[C@@]21C ZINC000072107688 EF Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)C1=C[C@H](OC(=O)CCC)C(=O)[C@]12C ZINC000072107790 EF Annotated Mild CCc1ccccc1OS(=O)(=O)c1ccc(N2CCNC2=O)cc1 ZINC000072108814 EF Annotated Anodyne Cc1cc(C)cc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1 ZINC000072108926 EF Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@H](c2cc3ccccc3nc2Cl)S1 ZINC000072109717 EF Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc3ccccc3nc2Cl)S1 ZINC000072109718 EF Annotated Anodyne C[C@@H](CO)C1=C2[C@H]3CC=C(C=O)CC(=O)[C@]3(C)CC[C@@]2(CO)CC1 ZINC000072109982 EF Annotated Reactive C=C[C@@H](c1ccc(OC)c(O)c1)c1cc(O)c(C(=O)OC)cc1O ZINC000072110140 EF Annotated Mild in-vitro Cc1ccc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c(C)c1 ZINC000072110375 EF Annotated Anodyne Cc1ccc(C)c(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1 ZINC000072110376 EF Annotated Anodyne Cc1ccccc1OS(=O)(=O)c1ccc(N2CCCNC2=O)cc1 ZINC000072110925 EF Annotated Anodyne Cc1cccc(OS(=O)(=O)c2ccc(N3CCCNC3=O)cc2)c1 ZINC000072111034 EF Annotated Anodyne CCCCN1c2nccc[n+]2C[C@@]1(O)c1ccc(Br)cc1 ZINC000072111396 EF Annotated Anodyne CCOC(=O)c1ccc(NCc2cccc3c2C(=O)N(C)C3=O)cc1 ZINC000072111446 EF Annotated Anodyne C/C=C/C1=N[C@H]([C@H]2OC(=O)C=C[C@@H]2OC(C)=O)[C@@H](c2ccccc2)O1 ZINC000072111500 EF Annotated Anodyne C=Cc1c(C)cc(O)c2c1[C@H](O)[C@H]1OC(=O)[C@]3(C)CC[C@@H]4C[C@@]24[C@H]13 ZINC000072112047 EF Annotated Anodyne COc1ccccc1-c1cc2nn(-c3ccccc3)c(N)c2c(=O)[nH]1 ZINC000072112360 EF Annotated Anodyne C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4C[C@H](O)[C@]3(CC(=O)N1)C2 ZINC000072112409 EF Annotated Anodyne CCCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccc([N+](=O)[O-])cc1 ZINC000072112470 EF Annotated Bother C=Cc1c(C)cc2c(c1O)[C@]13C[C@H]1CC[C@@]1(C)C(=O)O[C@H]([C@H]2O)[C@H]13 ZINC000072112640 EF Annotated Anodyne O=C(O)CCC[C@@H]1[C@H]2CCC[N+]3([O-])CCC[C@@H](CN1CC1CC1)[C@@H]23 ZINC000072113615 EF Annotated Bother COc1cc(-c2nnn(Cc3ccccc3)n2)ccc1-n1cnc(C)c1 ZINC000072113672 EF Annotated Anodyne C/C=C\C1=N[C@H]([C@H]2OC(=O)C=C[C@@H]2OC(C)=O)[C@@H](c2ccccc2)O1 ZINC000072113717 EF Annotated Anodyne C/C=C/C1=N[C@@H]([C@H]2OC(=O)C=C[C@@H]2OC(C)=O)[C@@H](c2ccccc2)O1 ZINC000072114297 EF Annotated Anodyne CC(C)(C)N1CC(=O)N=C1N/C(N)=N/c1ccc(Cl)c(Cl)c1 ZINC000072114654 EF Annotated Mild COc1ccc(OC)c([C@@H]2CC(=O)N2c2ccc3c(c2)OCCO3)c1 ZINC000072116186 EF Annotated Anodyne CCN(CC)CCCN(Cn1nc(C)cc1C)Cn1nc(C)cc1C ZINC000072116991 EF Annotated Anodyne Cc1c(Nc2csc(N)c2C#N)c(=O)n(-c2ccccc2)n1C ZINC000072118072 EF Annotated Mild CC(C)/N=C(\NC1=NC(=O)CN1C)Nc1ccc(Cl)c(Cl)c1 ZINC000072118375 EF Annotated Mild CCc1cc([C@@H]2CC(=O)N2c2ccc3c(c2)OCCO3)c(O)cc1O ZINC000072119591 EF Annotated Clean COc1ccc([C@@H]2CC(=O)N2c2ccc3c(c2)OCCO3)c(OC)c1 ZINC000072120052 EF Annotated Anodyne CCc1cc([C@@H]2CC(=O)N2c2ccc3c(c2)OCO3)c(O)cc1O ZINC000072120054 EF Annotated Clean C/N=C1\Nc2cc(-c3cccc(CN)c3)sc2N2[C@@H](C)C=N[C@@H]12 ZINC000072120101 EF Annotated Mild O=S(=O)(CC1=NCCS1)c1n[nH]cc1-c1ccc(Cl)cc1 ZINC000072120118 EF Annotated Anodyne O=S(=O)(c1ccccc1)c1cnc2ncnn2c1-c1ccccc1 ZINC000072120158 EF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@H](Oc1ccc(OC(F)(F)F)cc1)C2 ZINC000072122776 EF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc(OC(F)(F)F)cc1)C2 ZINC000072122777 EF Annotated Bother [CH2-]c1c2c(C)nc(OC)c(C#N)c2nc[n+]1Cc1ccc(Cl)cc1 ZINC000072124518 EF Annotated Mild COc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cn1 ZINC000072124784 EF Annotated Anodyne Oc1cccc(F)c1-n1nc(OC2CCNCC2)c2c1CCCC2 ZINC000072124849 EF Annotated Anodyne CC(C)N(C[C@](C)(O)c1ccccc1)S(=O)(=O)c1ccc(O)cc1 ZINC000072126099 EF Annotated Anodyne CC(C)N(C[C@@](C)(O)c1ccccc1)S(=O)(=O)c1ccc(O)cc1 ZINC000072126100 EF Annotated Anodyne O=C(NO)c1cnc(Nc2nnc(-c3ccccc3Cl)s2)nc1 ZINC000072126307 EF Annotated Anodyne CN(Cc1n[nH]c2c1CCC2)c1nc(C2CCCC2)nc2c1CNC2 ZINC000072126532 EF Annotated Anodyne CCOC(=O)c1cc(-c2ccc(NC(=O)C(F)(F)F)cc2)[nH]n1 ZINC000072126880 EF Annotated Anodyne Cc1ccccc1CS(=O)(=O)c1ccc(-c2ccccn2)nn1 ZINC000072126928 EF Annotated Anodyne CCOC(=O)c1ccc(OC[C@@H]2CCN(c3ccc(C)nn3)C2)cc1 ZINC000072127602 EF Annotated Anodyne CCOC(=O)c1ccc(OC[C@H]2CCN(c3ccc(C)nn3)C2)cc1 ZINC000072127603 EF Annotated Anodyne Cc1ccc(N2CC(COc3ccc(-c4noc(C)n4)cc3)C2)nn1 ZINC000072127971 EF Annotated Anodyne CCOC(=O)c1ccc(OCCC2CN(c3ccc(C)nn3)C2)cc1 ZINC000072128481 EF Annotated Anodyne O=C1c2ccccc2-c2onc3ccc(NCCCN4CCNC4)c1c23 ZINC000072136445 EF Annotated Clean CCCCNc1cccc2c1S(=O)(=O)N[C@H](CC(C)C)CO2 ZINC000072136723 EF Annotated Anodyne CCCCNc1cccc2c1S(=O)(=O)N[C@@H](CC(C)C)CO2 ZINC000072136724 EF Annotated Anodyne CC(C)CNc1ccc2c(c1)OC[C@@H](CC(C)C)NS2(=O)=O ZINC000072137514 EF Annotated Anodyne CC(C)CNc1ccc2c(c1)OC[C@H](CC(C)C)NS2(=O)=O ZINC000072137515 EF Annotated Anodyne Cn1nc(C(C)(C)C)cc1N1C(=O)CC[C@]1(C)C(=O)NC1CCCC1 ZINC000072137769 EF Annotated Anodyne Cn1nc(C(C)(C)C)cc1N1C(=O)CC[C@@]1(C)C(=O)NC1CCCC1 ZINC000072137770 EF Annotated Anodyne Cn1c(=O)c2c(-c3ccccc3)n(-c3ccccc3F)cc2n(C)c1=O ZINC000072138179 EF Annotated Anodyne C/C=C/OC(=O)N[C@H](c1ccccc1)[C@]1(C(=O)OC)CCCC1=O ZINC000072139661 EF Annotated Anodyne O=S1(=O)N[C@H](Cc2ccccc2)COc2cc(NC3CC3)ccc21 ZINC000072139732 EF Annotated Anodyne O=S1(=O)N[C@@H](Cc2ccccc2)COc2cc(NC3CC3)ccc21 ZINC000072139733 EF Annotated Anodyne CCOC(=O)/C=C/[C@@H]1CC[C@@H](CC(=O)OCc2ccccc2)OO1 ZINC000072140994 EF Annotated Reactive COC[C@H](C)N/C(=N\O)c1ccc(C)nc1OCc1cccc(F)c1 ZINC000072141518 EF Annotated Mild COC[C@@H](C)N/C(=N\O)c1ccc(C)nc1OCc1cccc(F)c1 ZINC000072141519 EF Annotated Mild C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13CC(=O)N[C@](C)(C1)[C@@H](O)C[C@@H]23 ZINC000072141536 EF Annotated Anodyne CN(C)[C@@H]1CCN(/C(=N\O)c2ccnc(Oc3cccc(F)c3)c2)C1 ZINC000072142259 EF Annotated Mild CN(C)[C@H]1CCN(/C(=N\O)c2ccnc(Oc3cccc(F)c3)c2)C1 ZINC000072142260 EF Annotated Mild CCOC(=O)[C@@H]1CCCCN1Cc1coc(-c2ccc(O)cc2)n1 ZINC000072142765 EF Annotated Anodyne CCOC(=O)[C@H]1CCCCN1Cc1coc(-c2ccc(O)cc2)n1 ZINC000072142766 EF Annotated Anodyne Oc1cc(CN2CCCC[C@H]2c2cccc(F)c2)nc2ncnn12 ZINC000072143132 EF Annotated Anodyne Oc1cc(CN2CCCC[C@@H]2c2cccc(F)c2)nc2ncnn12 ZINC000072143134 EF Annotated Anodyne N[C@@H]1c2ccccc2C2(CCN(c3cnc4ccccc4n3)CC2)[C@H]1O ZINC000072149548 EF Annotated Anodyne CNc1cc(C)nc(-c2cc(NC3CCNCC3)nc3[nH]ccc23)n1 ZINC000072159235 EF Annotated Anodyne O=C1c2cc3c(cc2OCN1c1ccccc1)C(=O)N1CCC[C@H]1O3 ZINC000072170605 EF Annotated Anodyne O=C1c2cc3c(cc2OCN1c1ccccc1)C(=O)N1CCC[C@@H]1O3 ZINC000072170606 EF Annotated Anodyne O=C1NN=C(c2ccccc2)/C1=C/Nc1cc(-c2ccccc2)[nH]n1 ZINC000072175027 EF Annotated Clean Cc1cccc2[nH]c(/C(C#N)=C/c3ccc(OCC(N)=O)cc3)nc12 ZINC000072175655 EF Annotated Reactive CCOC(=O)/C=C/c1c(O)ncnc1Oc1c(OC)cccc1OC ZINC000072176109 EF Annotated Anodyne CC(=O)c1c(C)[nH]c(C(=O)N/N=C/c2ccc(N(C)C)cc2)c1C ZINC000072176156 EF Annotated Reactive CC(=O)c1c(C)[nH]c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1C ZINC000072176411 EF Annotated Reactive CCOC(=O)/C=C\[C@@H]1CC[C@@H](CC(=O)OCc2ccccc2)OO1 ZINC000072176685 EF Annotated Reactive O=C1c2cccnc2S(=O)(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000072176858 EF Annotated Anodyne CC(C)=CC[C@@H](OC[C@H](C)O)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072177756 EF Annotated Mild CC(C)=CC[C@@H](OC[C@@H](C)O)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072177757 EF Annotated Mild Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC(=O)/C=C/c1cccc(F)c1 ZINC000072177805 EF Annotated Bother Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC(=O)/C=C/c1cccc(F)c1 ZINC000072177806 EF Annotated Bother COc1cc2[nH]c3c(c2cc1OC)[C@H](c1cccc(O)c1)CNC3=O ZINC000072178019 EF Annotated Anodyne COc1cc2[nH]c3c(c2cc1OC)[C@@H](c1cccc(O)c1)CNC3=O ZINC000072178020 EF Annotated Anodyne CCNCCCOc1cc(O)c2c(c1)C(=O)c1ccccc1C2=O ZINC000072178614 EF Annotated Clean CN1CCC[C@H](Oc2nc3cccnc3nc2C#Cc2ccccc2)C1 ZINC000072178857 EF Annotated Mild CN1CCC[C@@H](Oc2nc3cccnc3nc2C#Cc2ccccc2)C1 ZINC000072178858 EF Annotated Mild CCCNCCCOc1cc(O)c2c(c1)C(=O)c1ccccc1C2=O ZINC000072178915 EF Annotated Clean CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CNC3)ccc12 ZINC000072179227 EF Annotated Anodyne CCOC(=O)CN(COC(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000072179561 EF Annotated Anodyne Cc1ccc(/C(=N/O)N2CCSCC2)c(OCc2ccncc2)n1 ZINC000072179935 EF Annotated Mild CN(Cc1ccco1)/C(=N\O)c1cccnc1OCC(F)(F)F ZINC000072180216 EF Annotated Mild CN1CCN(/C(=N\O)c2ccc(Oc3ccc(Cl)cc3)nc2)CC1 ZINC000072180282 EF Annotated Mild COCCN/C(=N\O)c1ccnc(Oc2ccc(SC)cc2)c1 ZINC000072180458 EF Annotated Mild CCOc1ccccc1Oc1ncccc1/C(=N/O)NCCOC ZINC000072180524 EF Annotated Mild Cc1ccc(/C(=N/O)N2CCOCC2)c(Oc2cccc(F)c2)n1 ZINC000072180942 EF Annotated Mild Cc1oc(CCC(=O)N(C)C)cc1C(=O)Nc1nc2c(s1)CCC2 ZINC000072180962 EF Annotated Anodyne COC(=O)CCc1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1 ZINC000072181196 EF Annotated Anodyne Cc1ccc(C)c2c1NC(=O)/C2=N\NC(=O)[C@@H](C)c1ccc(O)cc1 ZINC000072181213 EF Annotated Reactive Cc1ccc(C)c2c1NC(=O)/C2=N\NC(=O)[C@H](C)c1ccc(O)cc1 ZINC000072181214 EF Annotated Reactive CN(C)CCOc1nc2cccnc2nc1C#Cc1cccc(F)c1 ZINC000072181271 EF Annotated Mild CC(C)N/C(=N\O)c1cccnc1Oc1ccc(-n2cncn2)cc1 ZINC000072181285 EF Annotated Mild Cc1ccc(/C(=N/O)n2ccnc2)c(OCc2ccccc2F)n1 ZINC000072181310 EF Annotated Mild CCOC(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@@H]1CCCC(=O)O ZINC000072181674 EF Annotated Anodyne O/N=C(\NC[C@@H]1CCCO1)c1ccc(Oc2ccc(F)cc2)nc1 ZINC000072181803 EF Annotated Mild O/N=C(\NC[C@H]1CCCO1)c1ccc(Oc2ccc(F)cc2)nc1 ZINC000072181804 EF Annotated Mild COCCO[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072181818 EF Annotated Mild Cc1nccn1/C(=N\O)c1cccnc1OCc1ccccc1F ZINC000072182412 EF Annotated Mild CCc1ccc(Oc2ncccc2/C(=N/O)N2CCOCC2)cc1 ZINC000072182441 EF Annotated Mild Cc1ccc(/C(=N/O)NCCN(C)C)c(Oc2cccc(F)c2)n1 ZINC000072183158 EF Annotated Mild COC[C@H](C)N/C(=N\O)c1cccnc1Oc1ccc(OC)cc1 ZINC000072183273 EF Annotated Mild COC[C@@H](C)N/C(=N\O)c1cccnc1Oc1ccc(OC)cc1 ZINC000072183274 EF Annotated Mild CCc1ccc(Oc2ncccc2/C(=N/O)NCCN(C)C)cc1 ZINC000072183403 EF Annotated Mild Cc1ccc(CN/C(=N\O)c2cccnc2OCC(F)(F)F)o1 ZINC000072183592 EF Annotated Mild Cc1ccc(Oc2ccc(/C(=N/O)N3CCOCC3)cn2)c(C)c1 ZINC000072183604 EF Annotated Mild Cc1ccc(/C(=N/O)N2CCOCC2)c(Oc2ccc(F)cc2)n1 ZINC000072183819 EF Annotated Mild CCOc1ccccc1-c1nc(CN(CCOC)CCOC)co1 ZINC000072183888 EF Annotated Anodyne Cc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCOCC2)cc1 ZINC000072183998 EF Annotated Mild CCOc1cccc(-c2nc(CN(CCOC)CCOC)co2)c1 ZINC000072184022 EF Annotated Anodyne COC[C@H](C)N/C(=N\O)c1ccc(C)nc1OCc1ccccc1F ZINC000072184094 EF Annotated Mild COC[C@@H](C)N/C(=N\O)c1ccc(C)nc1OCc1ccccc1F ZINC000072184095 EF Annotated Mild COC[C@H](C)N/C(=N\O)c1ccc(C)nc1Oc1ccc(OC)cc1 ZINC000072184103 EF Annotated Mild COC[C@@H](C)N/C(=N\O)c1ccc(C)nc1Oc1ccc(OC)cc1 ZINC000072184104 EF Annotated Mild N#CCCN(Cc1coc(-c2ccc(O)cc2)n1)C[C@@H]1CCCO1 ZINC000072184421 EF Annotated Mild N#CCCN(Cc1coc(-c2ccc(O)cc2)n1)C[C@H]1CCCO1 ZINC000072184422 EF Annotated Mild COc1cc(-c2nc(Cn3cnc(C)c3)co2)cc(OC)c1OC ZINC000072184715 EF Annotated Anodyne COc1cccc(-c2nc(CN3CCC4(CC3)OCCO4)co2)c1 ZINC000072185244 EF Annotated Anodyne Cc1cccc(Oc2nc(C)ccc2/C(=N/O)N2CCOCC2)c1 ZINC000072185298 EF Annotated Mild Cc1cccc(Oc2ncccc2/C(=N/O)N2CCOCC2)c1C ZINC000072185651 EF Annotated Mild Cc1ccc(/C(=N/O)N2CCN(C)CC2)c(Oc2ccc(F)cc2)n1 ZINC000072185792 EF Annotated Mild Cc1ccc(/C(=N/O)N2CCOCC2)c(OCc2cccc(F)c2)n1 ZINC000072186006 EF Annotated Mild COc1cc(-c2nc(CN(C)CCC#N)co2)cc(OC)c1OC ZINC000072186070 EF Annotated Mild NCCc1cn(Cc2coc(-c3ccccc3Br)n2)cn1 ZINC000072186117 EF Annotated Anodyne O/N=C(\NC[C@@H]1CCCO1)c1cccnc1OCC1CCCCC1 ZINC000072186336 EF Annotated Mild O/N=C(\NC[C@H]1CCCO1)c1cccnc1OCC1CCCCC1 ZINC000072186337 EF Annotated Mild O/N=C(/c1ccnc(Oc2ccc(Cl)cc2)c1)N1CCOCC1 ZINC000072186477 EF Annotated Mild CCNc1nc(C)c2c(n1)N(C1CCCC1)C(=O)[C@H](c1cc[nH]n1)C2 ZINC000072190150 EF Annotated Anodyne investigational CCNc1nc(C)c2c(n1)N(C1CCCC1)C(=O)[C@@H](c1cc[nH]n1)C2 ZINC000072190151 EF Annotated Anodyne investigational CSCc1c(O)c2cc(OCc3ccccn3)cnc2n1CC=O ZINC000072190168 EF Annotated Mild investigational c1ccc(-c2cnc(CNC[C@@H]3CCCN3c3cccnn3)o2)cc1 ZINC000072276699 EF Annotated Anodyne c1ccc(-c2cnc(CNC[C@H]3CCCN3c3cccnn3)o2)cc1 ZINC000072276700 EF Annotated Anodyne Cc1ccc(C)n2nc(CCc3nc(-c4ccccc4)nn3C)nc12 ZINC000072315023 EF Annotated Anodyne Cc1ccc(C)n2nc(CCc3nc(-c4cscn4)cn3C)nc12 ZINC000072315148 EF Annotated Anodyne O=C(Cc1ccc2ccccc2c1)Nc1cnc(-n2cccn2)nc1O ZINC000072317581 EF Annotated Anodyne Cc1cc(O)c2c3c(c(O)c4c(c13)O[C@@H](C)C4(C)C)C(=O)OC2=O ZINC000072319981 EF Annotated Reactive Cc1cc(O)c2c3c(c(O)c4c(c13)O[C@H](C)C4(C)C)C(=O)OC2=O ZINC000072319982 EF Annotated Reactive Cc1ccccc1NC(=O)c1cnc2cc(C(=O)N(C)C)n(C)c2c1 ZINC000072322781 EF Annotated Anodyne CN(C)C(=O)c1cc2ncc(C(=O)NC3CCCCCC3)cc2n1C ZINC000072322789 EF Annotated Anodyne CN1CCC(N(C)C(=O)c2cn(C(C)(C)C)c3ncccc23)CC1 ZINC000072322943 EF Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2cnc3c(C)csc3c2)CC1 ZINC000072322965 EF Annotated Anodyne CC(C)(C)n1cc(C(=O)N2CCC3(CC2)OCCO3)c2cccnc21 ZINC000072323108 EF Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1cn(Cc2ccccc2)c2ncccc12 ZINC000072323266 EF Annotated Anodyne O=C(NC[C@H]1CCCO1)c1cn(Cc2ccccc2)c2ncccc12 ZINC000072323267 EF Annotated Anodyne CC(=O)c1cc2ncc(C(=O)Nc3ccc4c(c3)OCCO4)cc2[nH]1 ZINC000072323387 EF Annotated Anodyne CC(=O)c1cc2ncc(C(=O)NCc3c(F)cccc3F)cc2[nH]1 ZINC000072323394 EF Annotated Anodyne COCCN(CCOC)C(=O)c1cn(C(C)(C)C)c2ncccc12 ZINC000072323677 EF Annotated Anodyne CN(C)C(=O)c1cc2ncc(C(=O)Nc3ccccc3F)cc2n1C ZINC000072323711 EF Annotated Anodyne COCCCNC(=O)c1cnc2c(c1)c(C#N)cn2Cc1ccccc1 ZINC000072323737 EF Annotated Mild COC[C@H](C)NC(=O)c1cnc2c(c1)c(C#N)cn2Cc1ccccc1 ZINC000072323739 EF Annotated Mild COC[C@@H](C)NC(=O)c1cnc2c(c1)c(C#N)cn2Cc1ccccc1 ZINC000072323740 EF Annotated Mild CC(=O)c1cc2cc(C(=O)Nc3ccc4c(c3)OCCO4)cnc2[nH]1 ZINC000072323904 EF Annotated Anodyne FC(F)(F)c1cc([C@H]2CCCN(c3cnccn3)C2)n2ccnc2n1 ZINC000072368898 EF Annotated Anodyne FC(F)(F)c1cc([C@@H]2CCCN(c3cnccn3)C2)n2ccnc2n1 ZINC000072368899 EF Annotated Anodyne CCN(Cc1cnn(C)c1)C[C@H]1CC[C@@H](Cc2ccc(CO)cc2)O1 ZINC000072436030 EF Annotated Anodyne COc1ccc(O[C@@H]2[C@H](O)CO[C@@H]2/C=C\C#Cc2ccccc2)cc1 ZINC000073053523 EF Annotated Anodyne COc1ccc2c(c1)CO[C@H]([C@H](O)CO)[C@@H]2/C=C\c1ccccc1 ZINC000073057699 EF Annotated Anodyne CNC(=O)Oc1cc(C)c(/C=C\c2cncc(C(=O)NC)c2)c(C)c1 ZINC000073121073 EF Annotated Anodyne C/C=C\OC(=O)N[C@@H](c1ccccc1)[C@]1(C(=O)OC)CCCC1=O ZINC000073123355 EF Annotated Anodyne C/C=C\OC(=O)N[C@H](c1ccccc1)[C@]1(C(=O)OC)CCCC1=O ZINC000073123358 EF Annotated Anodyne Cc1cccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1C ZINC000073129440 EF Annotated Anodyne NNC(=O)c1cc(-c2c[nH]c3ccccc23)nn1Cc1ccc(F)cc1 ZINC000073139099 EF Annotated Reactive CC(=O)c1ccc(O[C@@H]2Cc3c(ccc(C(C)=O)c3O)O2)cc1O ZINC000073139577 EF Annotated Anodyne CC(=O)c1ccc(O[C@H]2Cc3c(ccc(C(C)=O)c3O)O2)cc1O ZINC000073139580 EF Annotated Anodyne COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2sc(C)nn2c1C=O ZINC000073140005 EF Annotated Bother COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2ccccn2c1C=O ZINC000073140104 EF Annotated Bother C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](O)C[C@@H](OC(=O)C=C(C)C)C(=C)[C@@H]3C[C@H]12 ZINC000073141453 EF Annotated Mild O=C(NN/C=N\c1ccc(Br)c(F)c1)c1ccncc1 ZINC000073141599 EF Annotated Reactive CC(=O)N1N=C(c2ccc(C#N)cc2)O[C@H]1c1ccc([N+](=O)[O-])s1 ZINC000073157222 EF Annotated Mild CC(=O)N1N=C(c2ccc(C#N)cc2)O[C@@H]1c1ccc([N+](=O)[O-])s1 ZINC000073157225 EF Annotated Mild CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccsc4)cc3OC[C@@H]12 ZINC000073158987 EF Annotated Anodyne CN1CCC(COc2cc([C@H](CN)CC(=O)O)ccc2Cl)CC1 ZINC000073160001 EF Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4cccs4)cc3OC[C@@H]12 ZINC000073160208 EF Annotated Anodyne O=C(/C=C/c1ccc2c(c1)COC2)/N=c1/[nH]nc(-c2ccccc2)[nH]1 ZINC000073161618 EF Annotated Anodyne O=Cc1cc2ccccc2n(CC#Cc2ccc([N+](=O)[O-])cc2)c1=O ZINC000073162096 EF Annotated Mild O=Cc1cc2ccccc2n(CC#Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000073162099 EF Annotated Mild C[C@H]1Sc2sccc2-c2nc(-n3cnn(CC#N)c3=O)sc21 ZINC000073162301 EF Annotated Mild C[C@@H]1Sc2sccc2-c2nc(-n3cnn(CC#N)c3=O)sc21 ZINC000073162305 EF Annotated Mild Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2sc3ccc(Cl)cc3c2n1 ZINC000073163109 EF Annotated Anodyne Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2sc3cc(Cl)ccc3c2n1 ZINC000073163112 EF Annotated Anodyne Cc1nc(C(F)(F)F)nc(NCCCn2ccnc2[N+](=O)[O-])c1C ZINC000073168090 EF Annotated Bother COc1cc2c3c(c1O)-c1cc(O)c(O)cc1C[C@@H]3[N+](C)(C)CC2 ZINC000073170019 EF Annotated Clean COc1cc2c3c(c1O)-c1cc(O)c(O)cc1C[C@H]3[N+](C)(C)CC2 ZINC000073170022 EF Annotated Clean C[n+]1ccn(Cc2ccc(-c3ccc(Cn4cc[n+](C)c4)cc3)cc2)c1 ZINC000073170077 EF Annotated Anodyne CC(C)C(=O)N[C@H]1C[C@@H](C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21 ZINC000073179908 EF Annotated Bother FC(F)(F)c1n[nH]c(-c2nc(Cc3cncnc3)c3ccccn23)n1 ZINC000073195578 EF Annotated Anodyne Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3cccc(C(F)(F)F)c3c2n1 ZINC000073195700 EF Annotated Anodyne COc1cc(C)c2nc3n[nH]c(C)c3c(N3CCC(CN)CC3)c2c1 ZINC000073195812 EF Annotated Anodyne O=C1OC[C@@H]([C@H](O)/C=C/Cc2ccccc2)N1C(=O)C1CCCC1 ZINC000073195820 EF Annotated Anodyne COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])s3)O2)cc1 ZINC000073195957 EF Annotated Bother COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])s3)O2)cc1 ZINC000073195958 EF Annotated Bother CO[C@H]1C=CCC[C@@H]1N(OC(C)=O)c1ccc(Br)cn1 ZINC000073196241 EF Annotated Mild CNC(=O)c1ccc2cc([C@@]3(O)c4cncn4CC3(C)C)ccc2c1 ZINC000073196361 EF Annotated Anodyne CNC(=O)c1ccc2cc([C@]3(O)c4cncn4CC3(C)C)ccc2c1 ZINC000073196362 EF Annotated Anodyne COc1ccc(C(=O)c2sc(N3CCCC3)nc2N)cc1OC ZINC000073196826 EF Annotated Anodyne COC(=O)c1cc(C(=O)OC)c2c(N)c(Cl)cc(Cl)c2n1 ZINC000073197122 EF Annotated Anodyne Cc1cccc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1 ZINC000073197138 EF Annotated Anodyne Cc1ccc(Cl)c(OCc2cn(Cc3cnc(C)nc3N)nn2)c1 ZINC000073197658 EF Annotated Anodyne COc1ccccc1Cn1c(=O)[nH]c2ncc(-c3ccc(O)cc3)nc21 ZINC000073197705 EF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)n4cccc4)ccc31)[C@@H]1CC[C@H](C2)N1 ZINC000073197885 EF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)n4cccc4)ccc31)[C@H]1CC[C@@H](C2)N1 ZINC000073197886 EF Annotated Anodyne Cc1ncc(Cn2cc(COc3ccc(Cl)c(C)c3)nn2)c(N)n1 ZINC000073197972 EF Annotated Anodyne O=C(Cn1cc2cccc([N+](=O)[O-])c2n1)c1ccc([N+](=O)[O-])cc1 ZINC000073198398 EF Annotated Bother Cc1ccc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)cc1 ZINC000073198644 EF Annotated Anodyne Cc1nn(C)c(C)c1CS(=O)(=O)c1ccc(Br)cc1 ZINC000073199231 EF Annotated Anodyne CC(C)C(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1 ZINC000073199539 EF Annotated Anodyne COC(=O)c1cc(C(=O)OC)c2c(Cl)cc(N)c(Cl)c2n1 ZINC000073199952 EF Annotated Anodyne COc1ccc(-c2cccc3c(N4CCN(C)CC4)nc(N)nc23)cc1 ZINC000073220370 EF Annotated Anodyne CC(C)CS(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000073222214 EF Annotated Anodyne CCOC(=O)c1c(N)oc2c1c(SCC)c(O)c1ncncc12 ZINC000073222850 EF Annotated Anodyne CCC#CCOc1nc(O)c2c(CCCC3CC3)cc(=O)oc2n1 ZINC000073223546 EF Annotated Mild O=C1Cn2nc(-c3ccccc3)cc2C(=O)N1CCc1ccccc1 ZINC000073223555 EF Annotated Anodyne NC(=O)c1cccc(-c2nc3cc(C(=O)O)ccc3c3cncnc23)c1 ZINC000073223825 EF Annotated Bother COc1cccc(S(=O)(=O)c2ccc3c4c(oc3c2)CNCC4)c1 ZINC000073223873 EF Annotated Anodyne CCC#CCOc1nc(O)c2c(Cc3ccccc3)cc(=O)oc2n1 ZINC000073224101 EF Annotated Mild Cc1nc(N(C)C)ccc1-c1nn2c(C)cc(C(C)C)c2c(=O)n1C ZINC000073224696 EF Annotated Anodyne CCOC(=O)c1c2c(n3ccc(OC)cc13)C(=O)C(C)=C(C)C2=O ZINC000073239701 EF Annotated Mild O=C1Cn2nc(-c3ccccc3)cc2C(=O)N1CCc1ccc(F)cc1 ZINC000073240159 EF Annotated Anodyne COC(=O)c1c2c(n3ccc(OC)cc13)C(=O)c1ccccc1C2=O ZINC000073240385 EF Annotated Clean CC(=O)N1NC(c2ccccc2)=CC(=O)/C1=C/C(=O)c1ccccc1 ZINC000073241456 EF Annotated Mild COC1=C(OC)C(=O)C(Cc2c(C)nc3sc(C)cn23)=C(C)C1=O ZINC000073274348 EF Annotated Mild Cc1cc(Nc2cccc(Cl)c2)n2nc(OCCN(C)C)nc2n1 ZINC000073294398 EF Annotated Anodyne COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)c(F)c1 ZINC000073294804 EF Annotated Anodyne CC(=O)NNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NN1C ZINC000073295411 EF Annotated Reactive O=c1ccc(C(F)(F)F)cn1-c1ccc(NCCO)cc1Cl ZINC000073297620 EF Annotated Anodyne C=C(C(=O)OCCn1cncn1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000073297779 EF Annotated Mild COc1ncc(-c2ocnc2C(=O)NCc2ccncc2)cc1Cl ZINC000073298445 EF Annotated Anodyne O=c1ccc(C(F)(F)F)cn1Cc1ccc(NCCCO)cc1 ZINC000073298714 EF Annotated Anodyne COCCOc1nc2nc(C)cc(Nc3cccc(Cl)c3)n2n1 ZINC000073310065 EF Annotated Anodyne C[C@@](CCc1ccc(-c2ccc(O)cc2)cc1)(C(=O)O)S(C)(=O)=O ZINC000073310241 EF Annotated Anodyne COC1=C2C=[N+](C)[C@@H]3C(=C2C=C[C@H]1OC)Cc1cc2c(cc13)OCO2 ZINC000073316338 EF Annotated Anodyne COC1=C2C=[N+](C)[C@@H]3C(=C2C=C[C@@H]1OC)Cc1cc2c(cc13)OCO2 ZINC000073316339 EF Annotated Anodyne COC1=C2C=[N+](C)[C@H]3C(=C2C=C[C@H]1OC)Cc1cc2c(cc13)OCO2 ZINC000073316342 EF Annotated Anodyne COC1=C2C=[N+](C)[C@H]3C(=C2C=C[C@@H]1OC)Cc1cc2c(cc13)OCO2 ZINC000073316344 EF Annotated Anodyne CN1C(C)(C)[C@H](Br)C(=O)[C@H](Br)C1(C)C ZINC000073330285 EF Annotated Reactive CN1C(C)(C)[C@@H](Br)C(=O)[C@H](Br)C1(C)C ZINC000073330288 EF Annotated Reactive CN1C(C)(C)[C@H](Br)C(=O)[C@@H](Br)C1(C)C ZINC000073330291 EF Annotated Reactive Cc1cccc2[nH]c(/C(C#N)=C\c3ccc(OCC(N)=O)cc3)nc12 ZINC000073366562 EF Annotated Reactive Cc1nc(Cl)c2ncn(-c3cccc(N4CCOC4=O)c3)c2n1 ZINC000073389830 EF Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccccc4)cc3OC[C@@H]12 ZINC000073402737 EF Annotated Anodyne CC1(C)N=C(/C(Cl)=[N+](/[O-])C(=O)c2ccc(F)cc2)C(C)(C)N1O ZINC000073405116 EF Annotated Mild CN1O[C@@](C)(CC(=O)NCc2ccccc2F)N=C1c1ccccc1 ZINC000074373186 EF Annotated Anodyne CN1O[C@](C)(CC(=O)NCc2ccccc2F)N=C1c1ccccc1 ZINC000074373190 EF Annotated Anodyne CN1O[C@@](C)(CC(=O)NCCc2ccccc2)N=C1c1ccccc1 ZINC000074373546 EF Annotated Anodyne CN1O[C@](C)(CC(=O)NCCc2ccccc2)N=C1c1ccccc1 ZINC000074373549 EF Annotated Anodyne CN1O[C@@](C)(CC(=O)NCc2ccccc2)N=C1c1ccccc1F ZINC000074373993 EF Annotated Anodyne CN1O[C@](C)(CC(=O)NCc2ccccc2)N=C1c1ccccc1F ZINC000074373997 EF Annotated Anodyne CN1O[C@@](C)(CC(=O)Nc2cccc(O)c2)N=C1c1ccccc1F ZINC000074374225 EF Annotated Anodyne CN1O[C@](C)(CC(=O)Nc2cccc(O)c2)N=C1c1ccccc1F ZINC000074374229 EF Annotated Anodyne CCCNC(=O)C[C@]1(C)N=C(c2cccc(C(F)(F)F)c2)N(C)O1 ZINC000074374260 EF Annotated Anodyne CCCNC(=O)C[C@@]1(C)N=C(c2cccc(C(F)(F)F)c2)N(C)O1 ZINC000074374265 EF Annotated Anodyne CN1O[C@@](C)(CC(=O)N2CCc3ccccc3C2)N=C1c1ccco1 ZINC000074374313 EF Annotated Anodyne CN1O[C@](C)(CC(=O)N2CCc3ccccc3C2)N=C1c1ccco1 ZINC000074374318 EF Annotated Anodyne NC(=O)c1cccc(-c2ccc3c(c2)COCC(=O)N3CC2CC2)c1 ZINC000074374762 EF Annotated Anodyne COCCN1C(=O)COCc2ccc(-c3ccccc3OC)cc21 ZINC000074375077 EF Annotated Anodyne COCCN1C(=O)COCc2cc(-c3ccc(N(C)C)cc3)ccc21 ZINC000074375199 EF Annotated Anodyne COCCN1C(=O)COCc2cc(-c3ccccc3OC)ccc21 ZINC000074375351 EF Annotated Anodyne NC(=O)c1cccc(-c2ccc3c(c2)N(CC2CC2)C(=O)COC3)c1 ZINC000074375578 EF Annotated Anodyne COCCN1C(=O)COCc2ccc(-c3ccc(OC)cc3)cc21 ZINC000074375859 EF Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(C(=O)NCc3ccccc3)C[C@H]12 ZINC000074376969 EF Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(C(=O)NCc3ccccc3)C[C@H]12 ZINC000074376975 EF Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(C(=O)NCc3ccccc3)C[C@@H]12 ZINC000074376980 EF Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(C(=O)NCc3ccccc3)C[C@@H]12 ZINC000074376990 EF Annotated Anodyne O=C(c1cc(F)cc(F)c1)N1C[C@@H]2ON=C(c3ccccc3)[C@H]2C1 ZINC000074377400 EF Annotated Anodyne O=C(c1cc(F)cc(F)c1)N1C[C@H]2ON=C(c3ccccc3)[C@H]2C1 ZINC000074377404 EF Annotated Anodyne O=C(c1cc(F)cc(F)c1)N1C[C@H]2C(c3ccccc3)=NO[C@H]2C1 ZINC000074377408 EF Annotated Anodyne O=C(c1cc(F)cc(F)c1)N1C[C@H]2ON=C(c3ccccc3)[C@@H]2C1 ZINC000074377413 EF Annotated Anodyne COc1ccccc1C(=O)N1C[C@@H]2ON=C(c3ccccc3C)[C@H]2C1 ZINC000074377553 EF Annotated Anodyne COc1ccccc1C(=O)N1C[C@H]2ON=C(c3ccccc3C)[C@H]2C1 ZINC000074377558 EF Annotated Anodyne COc1ccccc1C(=O)N1C[C@H]2C(c3ccccc3C)=NO[C@H]2C1 ZINC000074377561 EF Annotated Anodyne COc1ccccc1C(=O)N1C[C@H]2ON=C(c3ccccc3C)[C@@H]2C1 ZINC000074377567 EF Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3ccc4c(c3)CCO4)C[C@H]12 ZINC000074378213 EF Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3ccc4c(c3)CCO4)C[C@H]12 ZINC000074378218 EF Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3ccc4c(c3)CCO4)C[C@@H]12 ZINC000074378221 EF Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3ccc4c(c3)CCO4)C[C@@H]12 ZINC000074378230 EF Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@H]2ON=C(c3ccc(F)cc3)[C@@H]2C1 ZINC000074378429 EF Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@H]2ON=C(c3ccc(F)cc3)[C@H]2C1 ZINC000074378434 EF Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@H]2C(c3ccc(F)cc3)=NO[C@H]2C1 ZINC000074378438 EF Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@@H]2ON=C(c3ccc(F)cc3)[C@H]2C1 ZINC000074378441 EF Annotated Anodyne COc1cccc(C(=O)N2C[C@H]3ON=C(c4ccc(F)cc4)[C@@H]3C2)c1 ZINC000074378445 EF Annotated Anodyne COc1cccc(C(=O)N2C[C@H]3ON=C(c4ccc(F)cc4)[C@H]3C2)c1 ZINC000074378454 EF Annotated Anodyne COc1cccc(C(=O)N2C[C@H]3C(c4ccc(F)cc4)=NO[C@H]3C2)c1 ZINC000074378458 EF Annotated Anodyne COc1cccc(C(=O)N2C[C@@H]3ON=C(c4ccc(F)cc4)[C@H]3C2)c1 ZINC000074378461 EF Annotated Anodyne O=C(c1ccco1)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000074378823 EF Annotated Anodyne O=C(c1ccco1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000074378830 EF Annotated Anodyne O=C(c1ccco1)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 ZINC000074378831 EF Annotated Anodyne O=C(c1ccco1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 ZINC000074378836 EF Annotated Anodyne COc1ccccc1C(=O)N1C[C@H]2ON=C(c3ccc(F)cc3)[C@@H]2C1 ZINC000074378839 EF Annotated Anodyne COc1ccccc1C(=O)N1C[C@H]2ON=C(c3ccc(F)cc3)[C@H]2C1 ZINC000074378843 EF Annotated Anodyne COc1ccccc1C(=O)N1C[C@H]2C(c3ccc(F)cc3)=NO[C@H]2C1 ZINC000074378847 EF Annotated Anodyne COc1ccccc1C(=O)N1C[C@@H]2ON=C(c3ccc(F)cc3)[C@H]2C1 ZINC000074378851 EF Annotated Anodyne O=C(c1ccoc1)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000074379392 EF Annotated Anodyne O=C(c1ccoc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000074379396 EF Annotated Anodyne O=C(c1ccoc1)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 ZINC000074379400 EF Annotated Anodyne O=C(c1ccoc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 ZINC000074379403 EF Annotated Anodyne COc1ccc(C(=O)N2C[C@@H]3ON=C(c4ccccc4C)[C@H]3C2)cc1 ZINC000074379427 EF Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@H]3C2)cc1 ZINC000074379431 EF Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3C(c4ccccc4C)=NO[C@H]3C2)cc1 ZINC000074379434 EF Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@@H]3C2)cc1 ZINC000074379437 EF Annotated Anodyne CC(C)NC(=O)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 ZINC000074379518 EF Annotated Anodyne CC(C)NC(=O)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000074379525 EF Annotated Anodyne CC(C)NC(=O)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 ZINC000074379528 EF Annotated Anodyne CC(C)NC(=O)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000074379531 EF Annotated Anodyne CCN(C)C(=O)c1csc(N2CCN(Cc3ccccc3)C2=O)n1 ZINC000074379725 EF Annotated Anodyne OCC/N=C(\O)c1cccc(-c2ccc3ncc(-c4ccoc4)n3n2)c1 ZINC000074385992 EF Annotated Mild OCCNc1nccc2[nH]c(-c3cccc(OC(F)(F)F)c3)nc12 ZINC000074386792 EF Annotated Anodyne O=S(=O)(Nc1ccc2nc(-c3ccccc3)nn2c1)c1ccco1 ZINC000074387178 EF Annotated Anodyne CCS(=O)(=O)Nc1ccc2nc(-c3cccc(Cl)c3)nn2c1 ZINC000074387181 EF Annotated Anodyne COc1cccc(-c2nc3ccc(/N=C(\O)COC(C)=O)cn3n2)c1 ZINC000074387313 EF Annotated Mild COc1cccc(-c2cnn(C(C)(C)C(=O)NCc3ccco3)c2)n1 ZINC000074387568 EF Annotated Anodyne Cc1cnc(C)c(-c2cnn(C(C)(C)C(=O)NCc3ccco3)c2)n1 ZINC000074387591 EF Annotated Anodyne Cc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)NCC(C)C)c2)c(C)o1 ZINC000074387727 EF Annotated Anodyne CCCCNC(=O)C(C)(C)n1cc(NC(=O)c2cc(C)oc2C)cn1 ZINC000074387753 EF Annotated Anodyne CS(=O)(=O)c1ccc(Nc2cc3c(cn2)ncn3CC2CC2)cc1 ZINC000074388419 EF Annotated Anodyne CNc1nc2cnc(Nc3ccc(OC)cc3)cc2n1CCOC ZINC000074388521 EF Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@](C)(NC(=O)[C@@H]1C(=O)c1ccccc1)O2 ZINC000007991349 EF Annotated Anodyne Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1 ZINC000007991359 EF Annotated Anodyne CC(=O)OC[C@@H]1O[C@@H](C#CCC2CCCCC2)C=C[C@H]1OC(C)=O ZINC000007991940 EF Annotated Mild CC(=O)OC[C@H]1O[C@@H](C#CCC2CCCCC2)C=C[C@@H]1OC(C)=O ZINC000007991941 EF Annotated Mild CC(=O)OC[C@@H]1O[C@@H](C#CCC2CCCCC2)C=C[C@@H]1OC(C)=O ZINC000007991942 EF Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](C#Cc3ccccc3)O[C@@H]2CO)cc1 ZINC000007991959 EF Annotated Mild COc1ccc(O[C@H]2C=C[C@H](C#Cc3ccccc3)O[C@@H]2CO)cc1 ZINC000007991960 EF Annotated Mild COc1ccc(O[C@@H]2C=C[C@@H](C#Cc3ccccc3)O[C@@H]2CO)cc1 ZINC000007991961 EF Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](C#Cc3ccccc3)O[C@@H]2CO)cc1 ZINC000007991962 EF Annotated Mild COc1ccc(O[C@@H]2[C@H](O)CO[C@@H]2/C=C/C#Cc2ccccc2)cc1 ZINC000007991963 EF Annotated Mild COc1ccc(O[C@H]2[C@H](O)CO[C@@H]2/C=C/C#Cc2ccccc2)cc1 ZINC000007991964 EF Annotated Mild COc1ccc(O[C@@H]2[C@@H](O)CO[C@@H]2/C=C/C#Cc2ccccc2)cc1 ZINC000007991965 EF Annotated Mild COc1ccc(O[C@H]2[C@@H](O)CO[C@@H]2/C=C/C#Cc2ccccc2)cc1 ZINC000007991966 EF Annotated Mild COc1cccc([C@@H]2[C@H](C)CC[C@@H]3C(=O)N(C)[C@H](C(C)C)C(=O)N23)c1 ZINC000007992038 EF Annotated Anodyne COc1cccc([C@@H]2[C@H](C)CC[C@H]3C(=O)N(C)[C@H](C(C)C)C(=O)N32)c1 ZINC000007992040 EF Annotated Anodyne COc1cccc([C@@H]2[C@@H](C)CC[C@H]3C(=O)N(C)[C@H](C(C)C)C(=O)N32)c1 ZINC000007992041 EF Annotated Anodyne CC(=O)OC[C@@H]1O[C@@H](C#Cc2ccc(Cl)cc2)C=C[C@H]1OC(C)=O ZINC000007992095 EF Annotated Mild CC(=O)OC[C@H]1O[C@@H](C#Cc2ccc(Cl)cc2)C=C[C@@H]1OC(C)=O ZINC000007992096 EF Annotated Mild CC(=O)OC[C@@H]1O[C@@H](C#Cc2ccc(Cl)cc2)C=C[C@@H]1OC(C)=O ZINC000007992097 EF Annotated Mild CC(=O)OC[C@@H]1O[C@@H](C#Cc2ccccc2Cl)C=C[C@H]1OC(C)=O ZINC000007992099 EF Annotated Mild CC(=O)OC[C@H]1O[C@@H](C#Cc2ccccc2Cl)C=C[C@@H]1OC(C)=O ZINC000007992100 EF Annotated Mild CC(=O)OC[C@@H]1O[C@@H](C#Cc2ccccc2Cl)C=C[C@@H]1OC(C)=O ZINC000007992101 EF Annotated Mild C/C=C/OC(=O)N[C@@H](c1ccccc1)[C@@]1(C(=O)OC)CCCC1=O ZINC000007992323 EF Annotated Anodyne C/C=C/OC(=O)N[C@H](c1ccccc1)[C@@]1(C(=O)OC)CCCC1=O ZINC000007992324 EF Annotated Anodyne CCOC(=O)[C@]1([C@H](NC(=O)OC)c2cccc(C)c2)CCCC1=O ZINC000007992336 EF Annotated Anodyne CCOC(=O)[C@]1([C@@H](NC(=O)OC)c2cccc(C)c2)CCCC1=O ZINC000007992337 EF Annotated Anodyne C=CCOC(=O)[C@@H](C(C)=O)[C@H](NC(=O)OC)c1ccc(Cl)cc1 ZINC000007992361 EF Annotated Mild C=CCOC(=O)[C@H](C(C)=O)[C@H](NC(=O)OC)c1ccc(Cl)cc1 ZINC000007992362 EF Annotated Mild C=CCOC(=O)[C@@H](C(C)=O)[C@@H](NC(=O)OC)c1ccc(Cl)cc1 ZINC000007992363 EF Annotated Mild C=CCOC(=O)[C@H](C(C)=O)[C@@H](NC(=O)OC)c1ccc(Cl)cc1 ZINC000007992364 EF Annotated Mild CCOC(=O)[C@]1([C@H](NC(=O)OC)c2cccc(F)c2)CCCC1=O ZINC000007992371 EF Annotated Anodyne CCOC(=O)[C@]1([C@@H](NC(=O)OC)c2cccc(F)c2)CCCC1=O ZINC000007992372 EF Annotated Anodyne C=CCOC(=O)[C@@H](C(=O)CC)[C@H](NC(=O)OC)c1ccc(F)cc1 ZINC000007992437 EF Annotated Mild C=CCOC(=O)[C@H](C(=O)CC)[C@H](NC(=O)OC)c1ccc(F)cc1 ZINC000007992438 EF Annotated Mild C=CCOC(=O)[C@@H](C(=O)CC)[C@@H](NC(=O)OC)c1ccc(F)cc1 ZINC000007992439 EF Annotated Mild C=CCOC(=O)[C@H](C(=O)CC)[C@@H](NC(=O)OC)c1ccc(F)cc1 ZINC000007992440 EF Annotated Mild CN(C)c1cccc(O[C@@H]2C=C[C@H](C#Cc3ccccc3)O[C@@H]2CO)c1 ZINC000007992524 EF Annotated Mild CN(C)c1cccc(O[C@H]2C=C[C@H](C#Cc3ccccc3)O[C@@H]2CO)c1 ZINC000007992525 EF Annotated Mild CN(C)c1cccc(O[C@@H]2C=C[C@@H](C#Cc3ccccc3)O[C@@H]2CO)c1 ZINC000007992526 EF Annotated Mild CN(C)c1cccc(O[C@H]2C=C[C@@H](C#Cc3ccccc3)O[C@@H]2CO)c1 ZINC000007992527 EF Annotated Mild O=Cc1ccc(O[C@H]2C=C[C@@H](C#Cc3ccccc3)O[C@H]2CO)cc1 ZINC000007992620 EF Annotated Mild O=Cc1ccc(O[C@H]2C=C[C@H](C#Cc3ccccc3)O[C@H]2CO)cc1 ZINC000007992621 EF Annotated Mild O=Cc1ccc(O[C@@H]2C=C[C@@H](C#Cc3ccccc3)O[C@H]2CO)cc1 ZINC000007992622 EF Annotated Mild O=Cc1ccc(O[C@@H]2C=C[C@H](C#Cc3ccccc3)O[C@H]2CO)cc1 ZINC000007992623 EF Annotated Mild CC(=O)N1C2(C=C[C@]1(C)C(=O)NCc1ccccn1)CCCCC2 ZINC000007992785 EF Annotated Anodyne CC(=O)N1C2(C=C[C@@]1(C)C(=O)NCc1ccccn1)CCCCC2 ZINC000007992786 EF Annotated Anodyne CO[C@@H]1COC(=O)CCC[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@H]1C ZINC000007998228 EF Annotated Anodyne CO[C@H]1COC(=O)CCC[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@@H]1C ZINC000007998232 EF Annotated Anodyne CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)CCC[C@@H]1C ZINC000007998238 EF Annotated Anodyne CO[C@@H]1COC(=O)CCC[C@@H](C)[C@H](OC)COC(=O)CCC[C@H]1C ZINC000007998275 EF Annotated Anodyne CO/N=C1/c2cc(OC)ccc2O[C@@H](c2cccc(OC)c2)[C@H]1O ZINC000007998385 EF Annotated Mild COc1cccc(/C=C(/C#N)C(=O)NC[C@@](C)(O)c2ccsc2)c1 ZINC000075093434 EF Annotated Reactive COc1cccc(/C=C(/C#N)C(=O)NC[C@](C)(O)c2ccsc2)c1 ZINC000075093435 EF Annotated Reactive COc1ccc([C@H]2N(c3cc(C)on3)C(=O)[C@@H]3CCCN32)cc1OC ZINC000075403052 EF Annotated Anodyne CCOc1ccccc1[C@H]1N(c2cc(C)on2)C(=O)[C@@H]2CCCN21 ZINC000075403061 EF Annotated Anodyne O=C(C[C@H]1C=CS(=O)(=O)C1)NN(c1ccccc1)c1ccccc1 ZINC000078597241 EF Annotated Reactive O=C(C[C@@H]1C=CS(=O)(=O)C1)NN(c1ccccc1)c1ccccc1 ZINC000078597243 EF Annotated Reactive O=C1C=C(C2=C(O)C(=O)c3ccccc3C2=O)C(=O)c2ccccc21 ZINC000078630953 EF Annotated Mild CCC[C@H](O)C1=CC(=C(Br)Br)OC1=O ZINC000079565539 EF Annotated Anodyne CCC[C@@H](O)C1=CC(=C(Br)Br)OC1=O ZINC000079565542 EF Annotated Anodyne O=C(c1cc([N+](=O)[O-])ccc1SC1CCCCC1)[PH](O)(O)O ZINC000079886409 EF Annotated Bother CN(CCO)c1ccc(/C=N/Nc2c(F)c(F)nc(F)c2F)cc1 ZINC000008125904 EF Annotated Mild COc1cc(/C=N/Nc2c(F)c(F)nc(F)c2F)cc(OC)c1O ZINC000008403430 EF Annotated Mild COc1cc(C[S@](=O)c2nc3cscc3[nH]2)ncc1Cl ZINC000008462260 EF Annotated Anodyne NC(=O)c1cc(Br)ccc1NC(=O)C#Cc1ccccc1 ZINC000081785538 EF Annotated Mild CCc1nccn1CCCNc1nccc(-c2c(C)nn(C)c2C)n1 ZINC000082039319 EF Annotated Anodyne Cc1nc(C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc(=O)[nH]1 ZINC000082039342 EF Annotated Anodyne CSCc1ccc(C(=O)N2CCC(c3cc(=O)[nH]c(C)n3)CC2)o1 ZINC000082039570 EF Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C)CC4)[C@H]3C[C@H]12 ZINC000082051283 EF Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C)CC4)[C@H]3C[C@H]12 ZINC000082051285 EF Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)CC4OCCO4)[C@H]3C[C@H]12 ZINC000082051286 EF Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)CC4OCCO4)[C@H]3C[C@H]12 ZINC000082051288 EF Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCn4ccnc4)[C@H]3C[C@@H]12 ZINC000082051515 EF Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCn4ccnc4)[C@H]3C[C@H]12 ZINC000082051517 EF Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCn4ccnc4)[C@H]3C[C@@H]12 ZINC000082051519 EF Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCn4ccnc4)[C@H]3C[C@H]12 ZINC000082051521 EF Annotated Mild C=C1[C@H]2C[C@@H]3C(=C)C(=O)O[C@@H]3C[C@@]2(C)C[C@@H](OC(=O)C=C(C)C)[C@@H]1O ZINC000082051718 EF Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]3(C)C[C@@H](OC(=O)C=C(C)C)[C@H](O)C(=C)[C@@H]3C[C@H]12 ZINC000082051721 EF Annotated Mild C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CN3CCCCC3)C(=O)O[C@@H]1C2 ZINC000082051876 EF Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@@H](CN3CCCCC3)C(=O)O[C@@H]1C2 ZINC000082051877 EF Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN1CCCCC1 ZINC000082051879 EF Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN1CCCCC1 ZINC000082051882 EF Annotated Anodyne O=C1CCCN1CCCNc1cc(Oc2cccc(F)c2)ncn1 ZINC000082067544 EF Annotated Anodyne O=C1CCCN1CCCNc1cc(Oc2ccc(F)cc2)ncn1 ZINC000082067635 EF Annotated Anodyne COc1ccc(Oc2cc(N(C)CCO)ncn2)c2ccccc12 ZINC000082067866 EF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](CO)Cc2ccccc2)co1 ZINC000082068998 EF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](CO)Cc2ccccc2)co1 ZINC000082068999 EF Annotated Anodyne COC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccc(C)cc3)n2)C1 ZINC000082069612 EF Annotated Anodyne COC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc(C)cc3)n2)C1 ZINC000082069613 EF Annotated Anodyne COC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccccc3C)n2)C1 ZINC000082069636 EF Annotated Anodyne COC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccccc3C)n2)C1 ZINC000082069637 EF Annotated Anodyne Cc1ccc(-c2nc(C(=O)NCc3ccc(C(N)=O)cc3)co2)cc1 ZINC000082069793 EF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](CO)C(C)C)cs1 ZINC000082070076 EF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](CO)C(C)C)cs1 ZINC000082070077 EF Annotated Anodyne CCc1nc(C(=O)N[C@@H](C)C(=O)NCCC2=CCCCC2)cs1 ZINC000082070523 EF Annotated Anodyne CCc1nc(C(=O)N[C@H](C)C(=O)NCCC2=CCCCC2)cs1 ZINC000082070524 EF Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)N3CCCCC3)co2)cc1 ZINC000082070653 EF Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)N3CCCCC3)co2)cc1 ZINC000082070654 EF Annotated Anodyne CCCCNC(=O)[C@@H](C)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082070663 EF Annotated Anodyne CCCCNC(=O)[C@H](C)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082070664 EF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)N2CCCCC2)co1 ZINC000082070675 EF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)N2CCCCC2)co1 ZINC000082070676 EF Annotated Anodyne CCC#CCOC(=O)[C@@H](C)NC(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082070802 EF Annotated Mild CCC#CCOC(=O)[C@H](C)NC(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082070803 EF Annotated Mild CCC#CCOC(=O)[C@@H](C)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082070828 EF Annotated Mild CCC#CCOC(=O)[C@H](C)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082070829 EF Annotated Mild CCOc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)OC)cs1 ZINC000082070920 EF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)OC)cs1 ZINC000082070921 EF Annotated Anodyne CCc1nc(C(=O)N[C@@H](CO)CSCc2ccccc2)cs1 ZINC000082071474 EF Annotated Anodyne CCc1nc(C(=O)N[C@H](CO)CSCc2ccccc2)cs1 ZINC000082071475 EF Annotated Anodyne CCc1nc(C(=O)N(C)CC(=O)NCCC2=CCCCC2)cs1 ZINC000082073759 EF Annotated Anodyne CCCCNC(=O)CN(C)C(=O)c1csc(-c2ccccc2)n1 ZINC000082073818 EF Annotated Anodyne CN(CC(=O)N1CCCCC1)C(=O)c1csc(-c2ccccc2)n1 ZINC000082073832 EF Annotated Anodyne CCCCNC(=O)CN(C)C(=O)c1coc(-c2ccccc2C)n1 ZINC000082073896 EF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)N2CCCCC2)co1 ZINC000082073909 EF Annotated Anodyne CCC#CCOC(=O)CN(C)C(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082074022 EF Annotated Mild CCC#CCOC(=O)CN(C)C(=O)c1coc(-c2ccccc2C)n1 ZINC000082074046 EF Annotated Mild O=C(N[C@H](CO)Cc1ccccc1)c1coc(-c2cccs2)n1 ZINC000082075403 EF Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)c1coc(-c2cccs2)n1 ZINC000082075406 EF Annotated Anodyne CC(C)C/N=C(\O)c1csc([C@H](O)c2ccc3c(c2)OCO3)n1 ZINC000082078620 EF Annotated Mild CC(C)C/N=C(\O)c1csc([C@@H](O)c2ccc3c(c2)OCO3)n1 ZINC000082078622 EF Annotated Mild COc1cc(Nc2nnc([C@@H](O)C(C)C)s2)cc(OC)c1OC ZINC000082079050 EF Annotated Anodyne COc1cc(Nc2nnc([C@H](O)C(C)C)s2)cc(OC)c1OC ZINC000082079052 EF Annotated Anodyne O=C(c1csc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H](CO)C1 ZINC000082081282 EF Annotated Bother O=C(c1csc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H](CO)C1 ZINC000082081283 EF Annotated Bother CC(C)[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(N)=O ZINC000082082420 EF Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(N)=O ZINC000082082421 EF Annotated Anodyne COc1cccc(-c2nc3ccnc(N4CCOCC4)c3[nH]2)c1F ZINC000082082446 EF Annotated Anodyne C/N=c1\[nH]c2cnc(Nc3ccc(OC)cc3C)cc2n1CCOC ZINC000082083133 EF Annotated Anodyne C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)N1CCCCC1 ZINC000082083427 EF Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)N1CCCCC1 ZINC000082083430 EF Annotated Anodyne O=C1c2nc(Nc3ccncc3)ccc2CN1C1(/C(O)=N/C2CC2)CC1 ZINC000082083839 EF Annotated Mild NC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085386 EF Annotated Anodyne NC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085387 EF Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082086285 EF Annotated Anodyne CN(C)CCCCOC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082086380 EF Annotated Anodyne O=C(OCCc1ccccn1)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082086386 EF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)OCCN(C)C)cs2)c1 ZINC000082086399 EF Annotated Anodyne CCC#CCOC(=O)CN(C)C(=O)c1csc(-c2ccccc2)n1 ZINC000082088100 EF Annotated Mild O=C(N[C@@H]1CCCCNC1=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082089382 EF Annotated Anodyne CCN(C)c1ncc(C(=O)NCC2CC2)c(-c2ccc(F)cc2)n1 ZINC000082140222 EF Annotated Anodyne CCN(C)c1ncc(C(=O)N2CCCC2)c(-c2ccc(F)cc2)n1 ZINC000082140326 EF Annotated Anodyne CC[C@@H](C)NC(=O)c1cnc(NCCOC)nc1-c1ccc(F)cc1 ZINC000082141179 EF Annotated Anodyne CC[C@H](C)NC(=O)c1cnc(NCCOC)nc1-c1ccc(F)cc1 ZINC000082141181 EF Annotated Anodyne CCN(C)C(=O)c1cnc(N2CCCC2)nc1-c1ccc(F)cc1 ZINC000082141561 EF Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)NCCCOC)c(-c2ccco2)n1 ZINC000082142067 EF Annotated Anodyne CC[C@H](C)Nc1ncc(C(=O)NCCCOC)c(-c2ccco2)n1 ZINC000082142068 EF Annotated Anodyne O=C(c1cnc(N2CCCCC2)nc1-c1ccco1)N1CCCC1 ZINC000082142524 EF Annotated Anodyne COc1cc(C)c(S(=O)(=O)Nc2c(C)nn(C)c2C)c(C)c1C ZINC000082149618 EF Annotated Anodyne O=C1S/C(=C\CCc2ccccc2)C(=O)N1CCN1CCOCC1 ZINC000082149706 EF Annotated Anodyne CCCC[C@H](O)Cn1cc(CN(C)CCCc2ccccc2)nn1 ZINC000082150643 EF Annotated Anodyne CCCC[C@@H](O)Cn1cc(CN(C)CCCc2ccccc2)nn1 ZINC000082150646 EF Annotated Anodyne O=C(O)C[C@H]1CN(Cc2ccccc2F)S(=O)(=O)c2ccccc21 ZINC000082151012 EF Annotated Anodyne O=C(O)C[C@@H]1CN(Cc2ccccc2F)S(=O)(=O)c2ccccc21 ZINC000082151015 EF Annotated Anodyne CCN(C)c1ncc(C(=O)NCC2CC2)c(-c2ccccc2F)n1 ZINC000082151757 EF Annotated Anodyne CCN(C)c1ncc(C(=O)N2CCCC2)c(-c2ccccc2F)n1 ZINC000082152105 EF Annotated Anodyne CCN(C)C(=O)c1cnc(N2CCCC2)nc1-c1ccccc1F ZINC000082152985 EF Annotated Anodyne CCc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000082154041 EF Annotated Anodyne CC1(C)Oc2cc3c(cc2O1)[C@@H]1c2cccc(O)c2OC[C@]1(O)C3 ZINC000082154057 EF Annotated Anodyne O=c1[nH]c2ncc(-c3ccc(CO)cc3)nc2n1CC1CCCCC1 ZINC000082154999 EF Annotated Anodyne Cc1nc2ccccc2c2nc3n(-c4ccccc4)cnn3c(=O)c12 ZINC000082155326 EF Annotated Bother COc1cc(-n2nnnc2-c2ccc(C)cc2)cc(OC)c1OC ZINC000082155623 EF Annotated Anodyne CCOC(=O)c1cc2cc(-c3cc(C(=O)OC)nn3C)ccc2[nH]1 ZINC000082155680 EF Annotated Anodyne C[C@H](O[N+](=O)[O-])C(=O)Nc1ccc(C(=O)/C=C/c2ccco2)cc1 ZINC000082156023 EF Annotated Mild C[C@@H](O[N+](=O)[O-])C(=O)Nc1ccc(C(=O)/C=C/c2ccco2)cc1 ZINC000082156026 EF Annotated Mild Cc1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)c(Cl)n1 ZINC000082156509 EF Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C=CC(=O)[C@@]2(C)CO)[C@@H]1CCC1=CCOC1=O ZINC000082157121 EF Annotated Mild Nc1nc(COC(=O)Cc2ccccc2OC(F)(F)F)cs1 ZINC000082157433 EF Annotated Anodyne CC[C@@H](C)NC(=O)c1cnc(N(C)CC)nc1-c1ccc(C#N)cc1 ZINC000082158801 EF Annotated Mild CC[C@H](C)NC(=O)c1cnc(N(C)CC)nc1-c1ccc(C#N)cc1 ZINC000082158802 EF Annotated Mild CC(C)N1CCC(Oc2ccc(-c3ccc(=O)n(C)n3)cc2)CC1 ZINC000082159694 EF Annotated Anodyne CCOC(=O)C[C@@H](C)Nc1cc(-c2cc(OC)ccc2OC)ncn1 ZINC000082161057 EF Annotated Anodyne CCOC(=O)C[C@H](C)Nc1cc(-c2cc(OC)ccc2OC)ncn1 ZINC000082161059 EF Annotated Anodyne COCCCNc1cc(-c2ccc(OC)c(OC)c2OC)ncn1 ZINC000082161733 EF Annotated Anodyne CC(=O)NCCNc1ncc(-c2ncc(C)o2)c(-c2ccccc2)n1 ZINC000082163323 EF Annotated Anodyne Cc1nc(-c2cnc(N3CCOCC3)nc2-c2ccco2)oc1C ZINC000082165755 EF Annotated Anodyne Cc1cnc(-c2cnc(N3CCC(O)CC3)nc2-c2ccco2)o1 ZINC000082165876 EF Annotated Anodyne Cc1nc(-c2cnc(N3CCC(O)CC3)nc2-c2ccco2)oc1C ZINC000082165878 EF Annotated Anodyne CC(=O)NCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccco2)n1 ZINC000082166259 EF Annotated Anodyne COCCn1c(-c2cccnc2)nc2c(NCC(C)C)ncnc21 ZINC000082177921 EF Annotated Anodyne CCC(CC)c1nc2c(NCC(C)C)ncnc2n1CCNC(C)=O ZINC000082178164 EF Annotated Anodyne CC(=O)NCCn1c(CC(C)(C)C)nc2c(NCC(C)C)ncnc21 ZINC000082178196 EF Annotated Anodyne CCC(CC)c1nc2c(NCC3CC3)ncnc2n1CCNC(C)=O ZINC000082185997 EF Annotated Anodyne CCCCCNc1ncnc2c1nc(C(C)C)n2CCNC(C)=O ZINC000082186806 EF Annotated Anodyne CCCCCNc1ncnc2c1nc(CCC)n2CCNC(C)=O ZINC000082186852 EF Annotated Anodyne Cc1cnc(N(C)CCN(C)C)nc1NCCc1ccc(F)cc1 ZINC000082202331 EF Annotated Anodyne Cc1cnc(N(C)CCN(C)C)nc1NCCc1cccc(F)c1 ZINC000082202332 EF Annotated Anodyne Cc1cnc(N2CCSCC2)nc1NCCNc1ccccc1 ZINC000082202348 EF Annotated Anodyne COc1ccccc1CNc1nc(N2CCSCC2)ncc1C ZINC000082202350 EF Annotated Anodyne Cc1cnc(N2CCSCC2)nc1NCCOc1ccccc1 ZINC000082202356 EF Annotated Anodyne CCN1CCN(c2ncc(C)c(NCCc3ccc(F)cc3)n2)CC1 ZINC000082202404 EF Annotated Anodyne CCN1CCN(c2ncc(C)c(NCCc3cccc(F)c3)n2)CC1 ZINC000082202406 EF Annotated Anodyne CO[C@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCOCC3)ncc2C)C1 ZINC000082202505 EF Annotated Anodyne CO[C@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCOCC3)ncc2C)C1 ZINC000082202507 EF Annotated Anodyne CO[C@@H]1CCC[C@@H]([C@H](C)Nc2nc(N3CCOCC3)ncc2C)C1 ZINC000082202509 EF Annotated Anodyne CO[C@@H]1CCC[C@H]([C@H](C)Nc2nc(N3CCOCC3)ncc2C)C1 ZINC000082202511 EF Annotated Anodyne COC1CCC([C@H](C)Nc2nc(N3CCOCC3)ncc2C)CC1 ZINC000082202513 EF Annotated Anodyne COC1CCC([C@H](C)Nc2nc(N3CCN(C)CC3)ncc2C)CC1 ZINC000082202549 EF Annotated Anodyne CO[C@H]1CCC[C@@H]([C@H](C)Nc2nc(N(C)CCN(C)C)ncc2C)C1 ZINC000082202575 EF Annotated Anodyne CO[C@H]1CCC[C@H]([C@H](C)Nc2nc(N(C)CCN(C)C)ncc2C)C1 ZINC000082202577 EF Annotated Anodyne CO[C@@H]1CCC[C@@H]([C@H](C)Nc2nc(N(C)CCN(C)C)ncc2C)C1 ZINC000082202579 EF Annotated Anodyne CO[C@@H]1CCC[C@H]([C@H](C)Nc2nc(N(C)CCN(C)C)ncc2C)C1 ZINC000082202580 EF Annotated Anodyne COC1CCC([C@H](C)Nc2nc(N(C)CCN(C)C)ncc2C)CC1 ZINC000082202582 EF Annotated Anodyne CCOC(=O)N1CCC(Nc2nc(N3CCC[C@@H]3C)ncc2C)CC1 ZINC000082202723 EF Annotated Anodyne CCOC(=O)N1CCC(Nc2nc(N3CCC[C@H]3C)ncc2C)CC1 ZINC000082202725 EF Annotated Anodyne CCC(CC)Nc1nc(N2CCN(c3ncccn3)CC2)ncc1C ZINC000082203096 EF Annotated Anodyne CCC[C@@H](C)Nc1nc(N2CCN(c3ncccn3)CC2)ncc1C ZINC000082203349 EF Annotated Anodyne CCC[C@H](C)Nc1nc(N2CCN(c3ncccn3)CC2)ncc1C ZINC000082203351 EF Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1NCCNc1ccccc1 ZINC000082203633 EF Annotated Anodyne Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1NCCNc1ccccc1 ZINC000082203635 EF Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1NCCNc1ccccc1 ZINC000082203637 EF Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1NCCc1ccc(O)cc1 ZINC000082203651 EF Annotated Anodyne Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1NCCc1ccc(O)cc1 ZINC000082203653 EF Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1NCCc1ccc(O)cc1 ZINC000082203655 EF Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1NCCOc1ccccc1 ZINC000082203657 EF Annotated Anodyne Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1NCCOc1ccccc1 ZINC000082203659 EF Annotated Anodyne Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1NCCOc1ccccc1 ZINC000082203661 EF Annotated Anodyne CCCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205704 EF Annotated Anodyne CC(C)n1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205767 EF Annotated Anodyne CCCn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205837 EF Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(C(C)C)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205884 EF Annotated Anodyne CCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206188 EF Annotated Anodyne CCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206190 EF Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3ccccc3)c(=O)n(C(C)C)c2=O)N1 ZINC000082206252 EF Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3ccccc3)c(=O)n(C(C)C)c2=O)N1 ZINC000082206254 EF Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3ccsc3)c(=O)n(C(C)C)c2=O)N1 ZINC000082206273 EF Annotated Anodyne CCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206407 EF Annotated Anodyne CCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206409 EF Annotated Anodyne CCCn1c(=O)c(NCC(CC)CC)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206430 EF Annotated Anodyne CCCn1c(=O)c(NCC(CC)CC)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206431 EF Annotated Anodyne CCCn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206436 EF Annotated Anodyne CCCn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206438 EF Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(C(C)C)c1=O)C[C@H](C(C)C)N2 ZINC000082206546 EF Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(C(C)C)c1=O)C[C@@H](C(C)C)N2 ZINC000082206548 EF Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(C(C)C)c2=O)N1 ZINC000082206554 EF Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(C(C)C)c2=O)N1 ZINC000082206556 EF Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(C(C)C)c2=O)N1 ZINC000082207536 EF Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(C(C)C)c2=O)N1 ZINC000082207544 EF Annotated Anodyne CCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@H](CC)N2 ZINC000082207780 EF Annotated Anodyne CCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@@H](CC)N2 ZINC000082207782 EF Annotated Anodyne CC[C@@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(C(C)C)c2=O)N1 ZINC000082207916 EF Annotated Anodyne CC[C@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(C(C)C)c2=O)N1 ZINC000082207919 EF Annotated Anodyne CCCn1c(=O)c(NCC(C)C)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209700 EF Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@H](C)CN2 ZINC000082211551 EF Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@@H](C)CN2 ZINC000082211553 EF Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@H](C)CN2 ZINC000082211772 EF Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@@H](C)CN2 ZINC000082211773 EF Annotated Anodyne CC(C)CNc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@H](C)CN2 ZINC000082211829 EF Annotated Anodyne CC(C)CNc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@@H](C)CN2 ZINC000082211836 EF Annotated Anodyne CCN1CCN(c2ncc(C)c(NCc3ccc(C)cc3)n2)CC1 ZINC000082212829 EF Annotated Anodyne CCN1CCN(c2ncc(C)c(NCc3ccc(F)cc3)n2)CC1 ZINC000082212834 EF Annotated Anodyne CCN1CCN(c2ncc(C)c(NCc3ccccc3F)n2)CC1 ZINC000082212835 EF Annotated Anodyne CCN1CCN(c2ncc(C)c(NCc3cccc(F)c3)n2)CC1 ZINC000082212836 EF Annotated Anodyne CC[C@@H](C)CNc1nc(N2CCN(c3ccccn3)CC2)ncc1C ZINC000082212883 EF Annotated Anodyne CC[C@H](C)CNc1nc(N2CCN(c3ccccn3)CC2)ncc1C ZINC000082212884 EF Annotated Anodyne CCN(C)C(=O)c1cnc(N(C)CC)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082214916 EF Annotated Bother CCCCCNc1ncnc2c1nc(CC(C)C)n2CCNC(C)=O ZINC000082222741 EF Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3ccsc3)c(=O)n(C(C)C)c2=O)N1 ZINC000082224263 EF Annotated Anodyne CCCn1c(=O)c(NCC(C)C)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082224413 EF Annotated Anodyne Cc1cccc(C)c1N1CCN(c2ccc3[nH]c(=O)c(C)nc3n2)CC1 ZINC000082231286 EF Annotated Anodyne CC[C@@H](C)c1nc2nc(N3CCCC[C@@H]3CCO)ccc2[nH]c1=O ZINC000082231548 EF Annotated Anodyne CC[C@H](C)c1nc2nc(N3CCCC[C@@H]3CCO)ccc2[nH]c1=O ZINC000082231549 EF Annotated Anodyne CC1=C[C@]2(O)C(=O)[C@H](C)C[C@@H]3[C@H](CC[C@](C)(O)C[C@H]2C1=O)C3(C)C ZINC000084154343 EF Annotated Mild in-vitro biogenic CC1=C[C@]2(O)C(=O)[C@H](C)C[C@@H]3[C@H](CC[C@]4(C)O[C@H]4[C@@H]2C1=O)C3(C)C ZINC000084154348 EF Annotated Mild in-vitro biogenic CC1=C[C@@]2(O)C(=O)[C@H](C)C[C@@H]3[C@H](CC[C@](C)(O)/C=C\2C1=O)C3(C)C ZINC000084154365 EF Annotated Mild in-vitro biogenic C[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)O[C@H]3C3=C(C[C@](C)(O)C3=O)C1=O)C2(C)C ZINC000084154372 EF Annotated Mild in-vitro biogenic CCCOC(=O)CSc1cncc(SCC(=O)OCCC)n1 ZINC000084154659 EF Annotated Anodyne in-vitro biogenic CCCN[C@H]1CCc2cccc(CS(=O)(=O)C(F)(F)F)c2C1 ZINC000084500346 EF Annotated Anodyne CC[C@H](CO)N1C(=O)c2cccc3c(Br)ccc(c23)C1=O ZINC000084564628 EF Annotated Anodyne Cc1ccccc1[C@H]1SCCC(=O)N1NC(=O)c1ccncc1 ZINC000084586897 EF Annotated Anodyne Cc1ccccc1[C@@H]1SCCC(=O)N1NC(=O)c1ccncc1 ZINC000084586901 EF Annotated Anodyne CCCN[C@@H]1CCc2cccc(CS(=O)(=O)C(F)(F)F)c2C1 ZINC000084596176 EF Annotated Anodyne O=C(c1ccc(O)c(O)c1)c1cc(O)c(O)cc1Br ZINC000084596839 EF Annotated Clean COc1ccc(C2=C(c3ccccc3)C(=O)N3C[C@H](O)C[C@H]3C2)cc1 ZINC000084602214 EF Annotated Anodyne COc1ccc(C2=C(c3ccccc3)C(=O)N3C[C@H](O)C[C@@H]3C2)cc1 ZINC000084602215 EF Annotated Anodyne OCCCCO[C@H]1C[C@H]2C[C@@H]1C[C@@H]2n1cnc2c(Cl)ncnc21 ZINC000084602934 EF Annotated Anodyne Cc1ccc(NC[C@@]2(C)C[C@@H](O)CC(C)(C)C2)cc1S(N)(=O)=O ZINC000084603714 EF Annotated Anodyne C[C@H](CO)[C@]12CC[C@]3(C)CC[C@@]4(C)C(=O)CC(C=O)=CC[C@@H]4[C@@]31O2 ZINC000084603994 EF Annotated Reactive CN(C)c1ccc(-c2cn(-c3cc4ccccc4n(C)c3=O)nn2)cc1 ZINC000084605161 EF Annotated Anodyne CCCN[C@H]1CCc2c(cccc2CS(=O)(=O)C(F)(F)F)C1 ZINC000084615540 EF Annotated Anodyne O=C1C=C(n2cc(-c3ccc([N+](=O)[O-])cc3)nn2)C(=O)c2ccccc21 ZINC000084615561 EF Annotated Mild O=C(NN1C(=O)CCS[C@@H]1c1ccc(F)cc1)c1ccncc1 ZINC000084616604 EF Annotated Anodyne O=C(NN1C(=O)CCS[C@H]1c1ccc(F)cc1)c1ccncc1 ZINC000084616606 EF Annotated Anodyne Cc1cc(C)c2cc(C#N)c(NCCNC(=O)c3ccccn3)nc2c1 ZINC000084618589 EF Annotated Mild Cc1cc(C)c2cc(C#N)c(NCCNC(=O)c3ccncc3)nc2c1 ZINC000084618595 EF Annotated Mild Cc1cn(-c2nc(N(C)Cc3ccccc3)nc(C)c2[N+](=O)[O-])cn1 ZINC000084620867 EF Annotated Bother Cc1nc(N2CCN(c3cc(Cl)ccc3C)CC2)c2cn[nH]c2n1 ZINC000084632626 EF Annotated Anodyne O=C(NN1C(=O)CCS[C@@H]1c1ccccc1F)c1ccncc1 ZINC000084633436 EF Annotated Anodyne O=C(NN1C(=O)CCS[C@H]1c1ccccc1F)c1ccncc1 ZINC000084633438 EF Annotated Anodyne O=C(NN1C(=O)CCS[C@@H]1c1cccc(F)c1)c1ccncc1 ZINC000084633616 EF Annotated Anodyne O=C(NN1C(=O)CCS[C@H]1c1cccc(F)c1)c1ccncc1 ZINC000084633617 EF Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CCCC(C)(C)[C@H]1CO)COC3=O ZINC000084634363 EF Annotated Mild Cc1ccc([C@H]2SCCC(=O)N2NC(=O)c2ccncc2)cc1 ZINC000084634642 EF Annotated Anodyne Cc1ccc([C@@H]2SCCC(=O)N2NC(=O)c2ccncc2)cc1 ZINC000084634644 EF Annotated Anodyne CCCN[C@@H]1CCc2c(cccc2CS(=O)(=O)C(F)(F)F)C1 ZINC000084635039 EF Annotated Anodyne Cc1ccc(-c2cn(-c3cc4nnnn4c4ccccc34)nn2)cc1 ZINC000084635638 EF Annotated Anodyne c1ccc(CCc2cn(-c3cc4nnnn4c4ccccc34)nn2)cc1 ZINC000084635640 EF Annotated Anodyne CN1CCC(O)=N/C1=N\C(=O)Nc1cccc(Br)c1 ZINC000084635670 EF Annotated Mild O=S1(=O)N=C(O)c2ccc(NC(=S)Nc3ccccc3)cc21 ZINC000084635784 EF Annotated Anodyne Cc1ccc(NC(=S)Nc2ccc3c(c2)S(=O)(=O)N=C3O)cc1 ZINC000084635785 EF Annotated Anodyne NCCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12 ZINC000084652094 EF Annotated Bother C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CC[C@H](F)C3)[C@@H]2CC1 ZINC000084652368 EF Annotated Anodyne CCOC(=O)C1=CC[C@H]2C(=O)c3cc(Br)ccc3O[C@H]12 ZINC000084652479 EF Annotated Anodyne CCOC(=O)C1=CC[C@H]2C(=O)c3ccc(Br)cc3O[C@H]12 ZINC000084652480 EF Annotated Anodyne CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C)nc2)c1 ZINC000084653143 EF Annotated Anodyne CCOC(=O)C1=C(NCc2ccccc2)C(=O)N(c2ccccc2)C1 ZINC000084653558 EF Annotated Anodyne CCOC(=O)c1c(N)sc2c1CCN(C(=O)OC(C)(C)C)CC2 ZINC000084653977 EF Annotated Anodyne COC(=O)c1ccc(/C=C/n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000084654136 EF Annotated Anodyne O=c1c2cc(Br)c(Br)n2cc2n1CCC2 ZINC000084654254 EF Annotated Anodyne O=c1cc(CS(=O)(=O)c2nc3ccccc3o2)c2ccccc2o1 ZINC000084668862 EF Annotated Anodyne O=c1cc(CS(=O)(=O)c2nc3ccccc3[nH]2)c2ccccc2o1 ZINC000084668863 EF Annotated Anodyne Brc1ccc([C@@H]2NNCc3nc4ccccc4n32)cc1 ZINC000084668916 EF Annotated Anodyne Brc1ccc([C@H]2NNCc3nc4ccccc4n32)cc1 ZINC000084668917 EF Annotated Anodyne N#CC1=C(N)OC2=C(C(=O)CN(c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000084669272 EF Annotated Reactive N#CC1=C(N)OC2=C(C(=O)CN(c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000084669273 EF Annotated Reactive COc1c2c(cc3c1[nH]c1ccccc13)C(=O)O[C@@H]2[C@H](O)C(C)(C)O ZINC000084669326 EF Annotated Anodyne Nc1nc2ccc(C(=O)c3ccccc3)cc2n1CC1CCNCC1 ZINC000084669499 EF Annotated Anodyne CN1CC[C@H]2C[C@@H]1CN(C(=O)Oc1ccc(Br)cc1)C2 ZINC000084669654 EF Annotated Anodyne C[C@@H]1CC[C@H](O)C(C)(C)[C@]12Cc1cc(C(=O)O)cc(C(=O)O)c1O2 ZINC000084670390 EF Annotated Anodyne CCOCn1c(Sc2cccc(Cl)c2)c(C)c(=O)[nH]c1=O ZINC000084670431 EF Annotated Anodyne O=C1/C(=C/c2ccncc2)CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN12)[C@@H]34 ZINC000084670498 EF Annotated Anodyne COc1ccc2c(c1)/C(=C\c1c(OC)nc3sccn13)C(=O)N2C ZINC000084670869 EF Annotated Clean COc1ccc2c(c1)/C(=C/c1c(OC)nc3sccn13)C(=O)N2C ZINC000084670870 EF Annotated Clean Cc1ccnc2oc(-c3ccccc3Cl)c/c(=N\NC(=N)N)c12 ZINC000084671271 EF Annotated Anodyne O=C(O)c1cn(CCCO)c2cc(-c3cccs3)ccc2c1=O ZINC000084671824 EF Annotated Anodyne C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3cc(Br)ccc23)N1C ZINC000084672523 EF Annotated Mild Nc1nc2ccc(C(=O)c3ccccc3)cc2n1CC[C@@H]1CCCN1 ZINC000084687809 EF Annotated Anodyne Nc1nc2ccc(C(=O)c3ccccc3)cc2n1CC[C@H]1CCCN1 ZINC000084687811 EF Annotated Anodyne Cc1ccc(C(=O)Cn2c(C(=O)O)cc3cc(O)c(O)cc32)cc1 ZINC000084687992 EF Annotated Clean CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccccn2)c1 ZINC000084688577 EF Annotated Anodyne C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3c(Br)cccc23)N1C ZINC000084689179 EF Annotated Mild C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3cccc(Br)c23)N1C ZINC000084689514 EF Annotated Mild CN1C(=N)N(C)/C(=C/c2c[nH]c3c(Br)cccc23)C1=O ZINC000084690242 EF Annotated Anodyne C[C@@H]1CC[C@H](O)C(C)(C)[C@]12Cc1cc(C(=O)O)cc(CC(=O)O)c1O2 ZINC000084704705 EF Annotated Anodyne Cc1ccc(-c2ccc([C@@]3(C(C)C)OC(=O)NC3=O)c(=O)[nH]2)cc1C ZINC000084706632 EF Annotated Anodyne Cc1ccc(-c2ccc([C@]3(C(C)C)OC(=O)NC3=O)c(=O)[nH]2)cc1C ZINC000084706634 EF Annotated Anodyne CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(C2CCCCC2)C1 ZINC000084706680 EF Annotated Anodyne C/N=C1\N(C)C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1C ZINC000084707345 EF Annotated Mild NC(=S)N/N=C1\CCSc2c(F)cc(Br)cc21 ZINC000084708460 EF Annotated Mild Cc1ccccc1C(=O)NC(=S)NNc1ncnc2ccccc12 ZINC000084709213 EF Annotated Anodyne O=c1cc(OC2=CS(=O)(=O)c3ccccc32)c2ccccc2o1 ZINC000084710449 EF Annotated Anodyne COC(=O)[C@H](c1ccccc1)N1CCc2sc(OC(C)=O)cc2C1 ZINC000084711589 EF Annotated Anodyne Cc1ccc(C(=O)NC(=S)NNc2ncnc3ccccc23)cc1 ZINC000084711914 EF Annotated Anodyne Cc1ccc2nc(C)n(NC(=O)/C(C#N)=C/c3ccccc3)c(=O)c2c1 ZINC000084711920 EF Annotated Reactive O=C(NCCCn1ccnc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000084712211 EF Annotated Bother COc1c2c(cc3c1[nH]c1ccccc13)C(=O)O[C@H](C(C)(C)O)[C@H]2O ZINC000084714188 EF Annotated Anodyne CCOCn1c(Sc2c(Cl)cccc2Cl)cc(=O)[nH]c1=O ZINC000084714197 EF Annotated Anodyne CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N\c1ccc(Cl)cc1Cl ZINC000084715590 EF Annotated Clean CC1=NN(C(N)=S)C(=O)[C@H]1/N=N\c1ccc(Cl)cc1Cl ZINC000084715594 EF Annotated Clean CN1C(=N)N(C)/C(=C/c2c[nH]c3cccc(Br)c23)C1=O ZINC000084723969 EF Annotated Anodyne C[C@@H]1CC[C@H](O)C(C)(C)[C@]12Cc1cc(C(=O)O)cc([N+](=O)[O-])c1O2 ZINC000084727557 EF Annotated Bother Cc1ccc(S(=O)(=O)n2cc(C(N)=O)cc2-c2ccccc2)cc1 ZINC000084728595 EF Annotated Anodyne O=C(N[C@@H]1CCCC[C@H]1N1CCCCC1)[C@H]1COc2ccccc2O1 ZINC000084728770 EF Annotated Anodyne O=C(N[C@@H]1CCCC[C@H]1N1CCCCC1)[C@@H]1COc2ccccc2O1 ZINC000084728775 EF Annotated Anodyne CON(C)C(=O)Nc1ccc(Cl)c(CN2OCC(C)(C)C2=O)c1 ZINC000084739023 EF Annotated Anodyne O=[N+]([O-])OCCCOc1ccc(/C=[N+](\[O-])Cc2ccccc2)cc1 ZINC000084741022 EF Annotated Mild Cc1nn(-c2nc(-c3ccccn3)nc3ccsc23)c(N)c1C#N ZINC000084741803 EF Annotated Mild CC(C)=CC(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000084741872 EF Annotated Mild Cc1cccc(-c2nc(C(=O)Nc3ccnc4ncnn34)cs2)c1 ZINC000084742350 EF Annotated Anodyne COc1ccc2nccc([C@H](c3nnnn3C(C)(C)C)N(C)C)c2c1 ZINC000084742379 EF Annotated Anodyne COc1ccc2nccc([C@@H](c3nnnn3C(C)(C)C)N(C)C)c2c1 ZINC000084742381 EF Annotated Anodyne Cn1c2c(c3ccccc31)C(=O)c1c[n+]([O-])c3ccccc3c1C2=O ZINC000084757559 EF Annotated Clean CS(=O)(=O)NCc1ccc(-c2ccc(N)cc2F)c(Cl)c1 ZINC000084757935 EF Annotated Anodyne O=C1c2cnc3ccccc3c2C(=O)c2c1c1ccccc1n2CCO ZINC000084759410 EF Annotated Clean O=C(Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2)C1CCCC1 ZINC000008553307 EF Annotated Anodyne CC(C)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2 ZINC000008553325 EF Annotated Anodyne Cc1ccc(-n2nc3c(c2NC(=O)C(C)(C)C)C[S@@](=O)C3)cc1 ZINC000008553331 EF Annotated Anodyne Cc1ccccc1-n1nc2c(c1NC(=O)C(C)(C)C)C[S@@](=O)C2 ZINC000008553334 EF Annotated Anodyne Oc1ccc(/C=N\N=C(/Nc2ccccn2)c2ccccn2)c(O)c1 ZINC000008574715 EF Annotated Mild O=c1c2cc3c(cc2nc2sc(Nc4ccccc4)nn12)OCO3 ZINC000008591922 EF Annotated Anodyne CCOC(=O)c1ccccc1NC(=O)N1CCCn2nc(C)cc21 ZINC000008598210 EF Annotated Anodyne CN(C(=O)CSc1nc2c(c(=O)[nH]1)CCCC2)C1CCCCC1 ZINC000008606929 EF Annotated Anodyne CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc[nH]2)n2ncnc2N1 ZINC000008609986 EF Annotated Anodyne CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc[nH]2)n2ncnc2N1 ZINC000008609988 EF Annotated Anodyne COCCCNc1nc(NCc2ccc(C)cc2)c2cnn(C)c2n1 ZINC000008619496 EF Annotated Anodyne O=C(NN/C=C1\C=Nc2ccccc21)NN/C=C1\C=Nc2ccccc21 ZINC000008642149 EF Annotated Reactive CCOC(=O)Cc1c(C)nc2cc(-c3ccc(Cl)cc3)[nH]n2c1=O ZINC000008653875 EF Annotated Anodyne O=C(NCCc1cccs1)[C@@H]1CC(c2ccc([N+](=O)[O-])cc2)=NO1 ZINC000008666504 EF Annotated Bother O=C(NCCc1cccs1)[C@H]1CC(c2ccc([N+](=O)[O-])cc2)=NO1 ZINC000008666505 EF Annotated Bother Cc1ccccc1C(=O)O/N=C1/CCS(=O)(=O)c2sccc21 ZINC000008670141 EF Annotated Mild CCN1CCC[C@@H]1Cn1cnc2c3ccc(OC)cc3nc-2c1O ZINC000008671262 EF Annotated Anodyne CCN1CCC[C@H]1Cn1cnc2c3ccc(OC)cc3nc-2c1O ZINC000008671263 EF Annotated Anodyne Cc1nnc(S)n1/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008671584 EF Annotated Mild CC(C)NC(=O)c1onc(CSc2cccc(F)c2)c1C(=O)O ZINC000008672377 EF Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccco2)C(=O)N[C@H]1c1ccccc1 ZINC000008682070 EF Annotated Anodyne COCC/N=C(/S)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccco1 ZINC000008685987 EF Annotated Mild O=C(O)CCC/N=C/C1=C(O)[C@H](C(=O)c2ccccc2)CCC1=O ZINC000008686013 EF Annotated Mild O=C(O)CCC/N=C/C1=C(O)[C@@H](C(=O)c2ccccc2)CCC1=O ZINC000008686015 EF Annotated Mild COc1cc(/C(C)=N/N=C(/S)NC(C)C)cc(OC)c1OC ZINC000008690639 EF Annotated Mild CC(C)NC(=O)c1onc(CSc2ccc(F)cc2)c1C(=O)O ZINC000008691330 EF Annotated Anodyne CC(C)NC(=O)c1onc(CSc2ccccc2F)c1C(=O)O ZINC000008691331 EF Annotated Anodyne C=CCNC(=O)c1onc(CSc2ccccc2C)c1C(=O)O ZINC000008691333 EF Annotated Mild C=CCNC(=O)c1onc(CSc2ccccc2F)c1C(=O)O ZINC000008691335 EF Annotated Mild C=CCNC(=O)c1onc(CSc2ccc(F)cc2)c1C(=O)O ZINC000008691336 EF Annotated Mild CNC(=S)N/N=C/c1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC000008691987 EF Annotated Mild COC(=O)C1=C(C)N(Cc2ccco2)C(=O)N[C@@H]1c1ccccc1 ZINC000008801850 EF Annotated Anodyne CCOc1c2ccc(C(=O)NCc3ccco3)cc2nn1CCOC ZINC000008801878 EF Annotated Anodyne C=CCNC(=O)c1onc(CSc2ccc(OC)cc2)c1C(=O)O ZINC000008829358 EF Annotated Mild C=CCNC(=O)c1onc(CSc2cccc(C)c2)c1C(=O)O ZINC000008829359 EF Annotated Mild O=C(NCCc1cccs1)[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000008829395 EF Annotated Bother O=C(NCCc1cccs1)[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000008829396 EF Annotated Bother Cc1ccc(CNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1 ZINC000008829409 EF Annotated Bother Cc1ccc(CNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1 ZINC000008829410 EF Annotated Bother C[C@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(C3CC3)OC=C2C1=O ZINC000008860658 EF Annotated Mild C[C@@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(C3CC3)OC=C2C1=O ZINC000008860659 EF Annotated Mild C[C@]1(OC(=O)c2cccs2)C(=O)C=C2C=C(C3CC3)OC=C2C1=O ZINC000008860660 EF Annotated Mild C[C@@]1(OC(=O)c2cccs2)C(=O)C=C2C=C(C3CC3)OC=C2C1=O ZINC000008860661 EF Annotated Mild CCC(=O)O[C@]1(C)C(=O)C=C2C=C(c3ccc(C#N)cc3)OC=C2C1=O ZINC000008860698 EF Annotated Mild CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(c3ccc(C#N)cc3)OC=C2C1=O ZINC000008860699 EF Annotated Mild Cc1cccc(-n2nc3c(c2NC(=O)C2CC2)C[S@@](=O)C3)c1C ZINC000008884924 EF Annotated Anodyne Cc1cccc(CNC(=O)N(CCCO)[C@@H]2CCc3ccccc32)n1 ZINC000085393576 EF Annotated Anodyne Cc1cccc(CNC(=O)N(CCCO)[C@H]2CCc3ccccc32)n1 ZINC000085393580 EF Annotated Anodyne Cc1nc(CNC(=O)N(CCCO)[C@@H]2CCc3ccccc32)oc1C ZINC000085394215 EF Annotated Anodyne Cc1nc(CNC(=O)N(CCCO)[C@H]2CCc3ccccc32)oc1C ZINC000085394216 EF Annotated Anodyne COCc1ccc(O)cc1CCN(C)[C@@H](C)[C@H](O)c1cccc(O)c1 ZINC000085486952 EF Annotated Anodyne in-vitro biogenic CC1(C)CCC[C@]2(C)C3=C(C[C@]4(C(C)(C)O)O[C@@H]4C3=O)C(=O)C[C@H]12 ZINC000085489351 EF Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CCC1=CCOC1=O ZINC000085493109 EF Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C\[C@@H]1C=COC1=O ZINC000085493128 EF Annotated Mild in-vitro biogenic COc1cc2c(cc1OC)C1=C3[C@H](C2)N(C)CC[C@@H]3CC2=C1OCO2 ZINC000085493551 EF Annotated Anodyne in-vitro biogenic COC(=O)[C@@H]1C[C@@]23CCCN4C[C@@H]([C@H]2C)[C@]2(c5ccccc5N[C@@H]12)[C@H]43 ZINC000085493626 EF Annotated Anodyne in-vitro biogenic CC1=C2[C@@H]3O[C@@]34CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]4[C@H](O)[C@@H]2OC1=O ZINC000085504625 EF Annotated Anodyne in-vitro biogenic C=C1C[C@]23CC(=O)[C@H]4[C@]56CCC[C@@]4(C)CN(C)[C@H]5[C@H]2C[C@H]1C(=O)[C@H]36 ZINC000085539974 EF Annotated Mild in-vitro biogenic C=C1C[C@]23CC(=O)[C@@H]4[C@]56CCC[C@@]4(C)CN(C)[C@H]5[C@H]2C[C@H]1C(=O)[C@H]36 ZINC000085539976 EF Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@@](C(=O)CCc3ccccc3)(C1(C)C)[C@@]2(O)OC ZINC000085546348 EF 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(C)=O ZINC000085547332 EF Annotated Anodyne 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(C)=O ZINC000085547336 EF Annotated Anodyne CNC[C@@H]1CCC[C@]12C[C@@H]1[C@H]2[C@H](O)[C@@H]2C=C[C@H]3C[C@]2(C)C[C@]1(O)C3 ZINC000085547535 EF Annotated Anodyne in-vitro biogenic C[C@H](c1ccc(C=O)cc1)[C@H]1C[C@@H](CNC2CCCC2)[C@@]2(O)CN12 ZINC000085547839 EF Annotated Anodyne in-vitro biogenic CCNC[C@@H]1C[C@H]([C@@H](c2ccc(C=O)cc2)C2CCCC2)N2C[C@]12O ZINC000085547863 EF Annotated Anodyne in-vitro biogenic C[C@]12Cc3nc[cH-]c3[C@]34C=CC[C@@H]5CC[C@@H]1CC(=C(C(=O)O)[C@@H]3O)[C@]524 ZINC000085549008 EF Annotated Anodyne in-vitro biogenic C[C@]12Cc3nc[cH-]c3[C@]34CCC[C@@H]5CC[C@@H]1CC(=C(C(=O)O)[C@@H]3O)[C@]524 ZINC000085549012 EF Annotated Anodyne in-vitro biogenic CNC(=N)NC[C@]1(C)[C@@H]2CC[C@H]3CCC[C@H]4CC(C(=O)O)=C(C2)[C@]431 ZINC000085549112 EF Annotated Anodyne in-vitro biogenic CNc1nc(CNC(=O)Nc2ccccc2-c2noc(C)n2)cs1 ZINC000085563723 EF Annotated Anodyne CC(=O)C[C@@H]1C[C@H]2c3c(c4ccccc4n3C)C[C@@H]([C@@H]1CO)N2C ZINC000085569964 EF Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C=O ZINC000085579629 EF Annotated Mild CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@H](O)C[C@H]1C(C)(C)CCC[C@]21C=O ZINC000085579633 EF Annotated Mild Cc1c(O)c(O)c2c3c(c(O)c4c(c13)O[C@@H](C)C4(C)C)C(=O)OC2=O ZINC000085593831 EF Annotated Reactive O=S(=O)(O)c1ccccc1/N=N/c1ccccc1S(=O)(=O)O ZINC000085598650 EF Annotated Clean in-vitro C[C@]1(CCO)CC[C@@]2(O)C(=C[C@H]3OC(=O)[C@@]4(C)CCC[C@@]2(C)[C@@H]34)C1 ZINC000085599961 EF Annotated Anodyne COc1c2c(cc3cc(O)c4c(=O)cc(C)oc4c13)[C@H](O)CC2=O ZINC000085602782 EF Annotated Bother CC1(C)CCC[C@]2(C)C3=C(C[C@](C)([C@H](O)CO)CC3=O)C(=O)C[C@@H]12 ZINC000085614028 EF Annotated Mild C#C/C=C\CCC(=O)C[C@H]1O[C@H](CC)[C@@H](Br)C[C@H]1O ZINC000085642396 EF Annotated Reactive COc1ccc(C[C@H]2COc3c(OC)c(O)c(C)c(O)c3C2=O)cc1 ZINC000085644238 EF Annotated Anodyne in-vitro biogenic COc1ccc(C[C@H]2COc3c(C)c(O)c(OC)c(O)c3C2=O)cc1 ZINC000085644244 EF Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@@H]1C[C@](C)(O)c2coc(C)c2[C@H]2OC(=O)[C@@H](C)[C@@H]21 ZINC000085663504 EF Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C[C@](C)(O)c2coc(C)c2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000085663505 EF Annotated Anodyne in-man Cc1cc(C)n(-c2ccc(N3CCC4(CC3)OC[C@H](C)O4)nc2)n1 ZINC000085687687 EF Annotated Anodyne Cc1cc(C)n(-c2ccc(N3CCC4(CC3)OC[C@@H](C)O4)nc2)n1 ZINC000085687688 EF Annotated Anodyne C=C1C[C@@H](O)[C@H]2[C@@](C)(CO)C(=O)CC[C@]2(C)[C@H]1CC(=O)c1ccoc1 ZINC000085689983 EF Annotated Mild C[C@@H]1C[C@@H](O)C2=C(CO)CCC[C@@H]2[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000085690124 EF Annotated Anodyne C[C@@H]1C(=O)C[C@@]23COC(=O)[C@]2(O)C=CC[C@@H]3[C@@]1(C)CCc1ccoc1 ZINC000085695452 EF Annotated Anodyne CC1=C(CCc2ccoc2)[C@@]2(C)CCC[C@]3(CO)C(=O)O[C@H](C1=O)[C@H]23 ZINC000085695673 EF Annotated Mild C=C[C@@]1(C)C(=O)C=C2[C@@]3(CC[C@H]4C(C)(C)[C@@H](O)C(=O)C[C@@]24C)O[C@@H]13 ZINC000085695962 EF Annotated Mild in-man C=C[C@@]1(C)C(=O)C=C2[C@]3(C)CC(=O)[C@H](O)C(C)(C)[C@H]3CC[C@@]23O[C@@H]13 ZINC000085695966 EF Annotated Mild in-man CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)O[C@](C)([C@H](O)CO)C[C@@H](O)[C@H]21 ZINC000085697823 EF Annotated Anodyne C=C(COC(C)=O)[C@@H]1[C@@H]2[C@H](CC[C@@]3(CO3)[C@@H]1COC(C)=O)C2(C)C ZINC000085721688 EF Annotated Mild CC(=O)O[C@@H]1C[C@@H]2[C@H](OC(C)=O)[C@@H](C)C[C@@]34[C@@H]1CCCN3CCC[C@H]24 ZINC000085760584 EF Annotated Anodyne C=CC[C@]12CC=CC(=O)[C@]1(O)O[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C ZINC000085761399 EF Annotated Mild C=CC[C@]12CC=CC(=O)[C@]1(O)O[C@H](c1ccc3c(c1)OCO3)[C@@H]2C ZINC000085761406 EF Annotated Mild C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000085799948 EF Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000085799950 EF Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000085799951 EF Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000085799953 EF Annotated Mild in-man C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@@H]23)[C@@]12CC[C@@]1(C=COC1)O2 ZINC000085807681 EF Annotated Anodyne C=C(C)[C@@H]1CC[C@@]2(C)Oc3cc4oc(=O)ccc4c(O)c3C(=O)[C@]12O ZINC000085810945 EF Annotated Mild COc1c2c3c(c4c1OCO4)-c1ccccc1[C@@H](O)[C@@H]3N(C)CC2 ZINC000085827752 EF Annotated Anodyne CC1=C2C=C3CC[C@@H]4C(C)(C)[C@H](O)C(=O)C[C@]4(C)[C@@H]3C[C@@H]2OC1=O ZINC000085830608 EF Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)O[C@@](C)(CCCC(C)=O)[C@@H]2C)c(O)c1 ZINC000085834870 EF Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)O[C@@](C)(CCCC(C)=O)[C@@H]2C)c(O)c1 ZINC000085834875 EF Annotated Anodyne C/C=C1/CN2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@@H](C=O)[C@H]1C[C@H]24 ZINC000085835319 EF Annotated Mild C[C@@H]1CC[C@@]23COC(=O)C2=CC[C@H](O)[C@@H]3[C@@]1(C)CCC1=CC(=O)OC1 ZINC000085841194 EF Annotated Anodyne C[C@@]1(CCC2=CC(=O)OC2)[C@H](CO)CC[C@]23COC(=O)C2=CCC[C@H]13 ZINC000085841371 EF Annotated Anodyne C[C@]1(CCC2=CC(=O)OC2)[C@H](C=O)CC[C@]23COC(=O)C2=CCC[C@@H]31 ZINC000085841382 EF Annotated Mild C[C@H]1[C@@H](O)[C@H]2OC(=O)C3=CCC[C@@H]([C@]32C)[C@@]1(C)C/C=C1\C=COC1=O ZINC000085842027 EF Annotated Clean CC(C)C1=C(O)C(=O)C2=C(C[C@@H]3OC(=O)[C@@]4(C)CCC=C(C2)[C@@H]34)C1=O ZINC000085845397 EF Annotated Mild C/C=C(/C)C(=O)O[C@@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)C(C)=C12 ZINC000085890619 EF Annotated Mild Cc1c([C@H]2CC(=O)N(c3ccccc3)C2=O)[nH]n(-c2ccccc2)c1=O ZINC000085902798 EF Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@](O)(C=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000085916275 EF Annotated Mild CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@](O)(C=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000085916277 EF Annotated Mild CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@](O)(C=O)[C@@H]1C(C)(C)CCC[C@]21C ZINC000085916282 EF Annotated Mild COc1c2c(nc3c4c(ccc13)OCO4)O[C@H](C(C)(C)OC(C)=O)C2 ZINC000085948109 EF Annotated Anodyne in-vitro biogenic COc1c2c(nc3c4c(ccc13)OCO4)O[C@@H](C(C)(C)OC(C)=O)C2 ZINC000085948111 EF Annotated Anodyne CC/C=C/C[C@H]1[C@@H](O)CC[C@H]1CC(=O)N[C@H](C(=O)O)[C@@H](C)CC ZINC000085951542 EF Annotated Anodyne in-man CC/C=C/C[C@@H]1[C@@H](O)CC[C@H]1CC(=O)N[C@H](C(=O)O)[C@@H](C)CC ZINC000085951544 EF Annotated Anodyne in-man CC/C=C/C[C@H]1[C@@H](O)CC[C@@H]1CC(=O)N[C@H](C(=O)O)[C@@H](C)CC ZINC000085951547 EF Annotated Anodyne in-man CC/C=C/C[C@@H]1[C@@H](O)CC[C@@H]1CC(=O)N[C@H](C(=O)O)[C@@H](C)CC ZINC000085951548 EF Annotated Anodyne in-man COc1ccc([C@@]23CCC4=C(CCC(=O)N4)[C@@H]2N(C)CC3)cc1OC ZINC000085967028 EF Annotated Anodyne COC1=C(c2ccc(O)cc2)C(=O)C(O)=C(c2ccc(O)cc2)C1=O ZINC000085970008 EF Annotated Mild in-vitro biogenic CC[C@H]1[C@@H]2N3CC[C@H]1C(C(=O)OC)=C1Nc4cc(O)ccc4[C@@]12CC3 ZINC000085975313 EF Annotated Anodyne in-man CC[C@@H]1[C@@H]2N3CC[C@H]1C(C(=O)OC)=C1Nc4cc(O)ccc4[C@@]12CC3 ZINC000085975317 EF Annotated Anodyne in-man O=C1NC(c2c[nH]c3ccc(O)cc23)=C[C@H]1[C@@H]1C(=O)Nc2ccccc21 ZINC000085985372 EF Annotated Anodyne CC(C)C(=O)O[C@@H]1[C@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000085989449 EF Annotated Anodyne CC(C)CC(=O)O[C@@H]1[C@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000085989476 EF Annotated Anodyne in-man CC(C)CC(=O)O[C@H]1[C@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000085989478 EF Annotated Anodyne in-man biogenic CC(C)CC(=O)O[C@@H]1[C@@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000085989480 EF Annotated Anodyne in-man CC(C)CC(=O)O[C@H]1[C@@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000085989483 EF Annotated Anodyne in-man biogenic C/C=C(\C)C(=O)O[C@@H]1[C@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000085989543 EF Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1[C@@H](O)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000085989551 EF Annotated Anodyne COc1cc(O)c(C[C@@H]2OC(=O)c3c(OC)cccc32)cc1OC ZINC000085990199 EF Annotated Anodyne COC(=O)[C@@]12CC[C@]3(C=CCN4CC[C@]5(C1=Nc1ccccc15)[C@@H]43)C2 ZINC000085990916 EF Annotated Anodyne in-vitro biogenic CC(C)C1=C(O)C(=O)C2=C(C(=O)C[C@H]3C(C)(C)C(=O)CC[C@]23C)C1=O ZINC000086004361 EF Annotated Mild in-vitro biogenic C=C(C(C)=O)[C@@H]1C[C@H]2c3c(c4ccccc4n3C)C[C@@H]([C@@H]1CO)N2C ZINC000086023324 EF Annotated Mild C[C@@H]1OC=C2C(=O)O[C@H]3[C@H]2[C@@H]1CN1CCc2c([nH]c4ccccc24)[C@H]31 ZINC000086024213 EF Annotated Anodyne CC1(C)O[C@@H]([C@](C)(O)/C=C/Br)C[C@H]1Br ZINC000086036099 EF Annotated Reactive CC1(C)O[C@H]([C@](C)(O)/C=C/Br)C[C@H]1Br ZINC000086036105 EF Annotated Reactive CC[C@H](C)/C=C(C)/C=C/C(=O)c1occ2c1C[C@@H](O)[C@](C)(O)C2=O ZINC000087528899 EF Annotated Mild in-vitro Cn1ncc2c(Oc3ccc(Cl)cc3)nc(N3CCOCC3)nc21 ZINC000087613147 EF Annotated Anodyne CC(C)(C)OC(=O)n1ccc2c(COS(C)(=O)=O)cccc21 ZINC000089157461 EF Annotated Mild CC(C)(C)OC(=O)N1CCn2c(-c3ccccc3)nc(C(=O)O)c2C1 ZINC000089195555 EF Annotated Anodyne O=C(O)CCCN1C(=O)/C(=C/c2cccc3c2NCC3)SC1=S ZINC000089210505 EF Annotated Clean O=C1C[C@]2(CCSC2)C(=O)N1Cc1coc(-c2ccccc2)n1 ZINC000089851335 EF Annotated Anodyne O=C1C[C@@]2(CCSC2)C(=O)N1Cc1coc(-c2ccccc2)n1 ZINC000089851336 EF Annotated Anodyne CCCN1CCN(C(=O)c2oc3ccccc3c2NC(C)=O)CC1 ZINC000009265443 EF Annotated Anodyne C/C(=N\C[C@@H]1CCCO1)[C@@H]1C(=O)N(c2ccc(C)cc2)C(=O)N=C1O ZINC000009359675 EF Annotated Mild C/C(=N\C[C@H]1CCCO1)[C@H]1C(=O)N(c2ccc(C)cc2)C(=O)N=C1O ZINC000009359677 EF Annotated Mild Oc1c2c(nc3nc(NCc4c(F)cccc4Cl)nn13)CCC2 ZINC000009360372 EF Annotated Anodyne CCN(CCC#N)c1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)c(C)c1 ZINC000009403886 EF Annotated Mild CC[C@@H]1CCCCN1CCCNC(=O)c1nc(-c2cccnc2)no1 ZINC000009405767 EF Annotated Anodyne CC[C@H]1CCCCN1CCCNC(=O)c1nc(-c2cccnc2)no1 ZINC000009405768 EF Annotated Anodyne Cc1c(Br)cccc1CNC1(CCO)CCOCC1 ZINC000090564431 EF Annotated Anodyne CN(C(=O)c1ccc(OCC(F)F)nc1)c1ccc2c(c1)CCO2 ZINC000090663925 EF Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1[C@@H](O)[C@H](O)[C@H]1[C@H](C(=O)O)c3ccoc3C[C@H]12 ZINC000090677698 EF Annotated Anodyne CCC[C@@H]1CN(C(=O)c2c(F)ccc(OC)c2F)C[C@H]1C(=O)O ZINC000091306243 EF Annotated Anodyne OC[C@H]1CN(Cc2c(Cl)cncc2Cl)C[C@H]1CN1CCCC1 ZINC000091319816 EF Annotated Anodyne O=C(N1CCCC1)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 ZINC000091755772 EF Annotated Anodyne O=C(N1CCCC1)N1CCC[C@H](c2nccn2Cc2ccncc2)C1 ZINC000091755776 EF Annotated Anodyne Cc1cc(NC(=O)N2CCC[C@@H]2C(=O)NC2CC2)c2ncccc2c1 ZINC000092146570 EF Annotated Anodyne Cc1cc(NC(=O)N2CCC[C@H]2C(=O)NC2CC2)c2ncccc2c1 ZINC000092146571 EF Annotated Anodyne Cc1c(C(=O)OC[C@@H]2CC(=O)N(c3ccccc3)C2)cnn1C(C)C ZINC000092702345 EF Annotated Anodyne Cc1c(C(=O)OC[C@H]2CC(=O)N(c3ccccc3)C2)cnn1C(C)C ZINC000092702347 EF Annotated Anodyne O=C(NCc1ccncc1)c1nnc(Cc2ccccc2Cl)o1 ZINC000009561238 EF Annotated Anodyne COc1ccc(C)cc1-n1nnc(S(=O)(=O)c2ccccc2)c1C ZINC000009611226 EF Annotated Anodyne C[C@H](CO)c1ccc2c(c1)CC[C@@H]1[C@]2(C)C[C@H](O)C[C@@]1(C)C(=O)O ZINC000095099221 EF Annotated Anodyne in-vitro biogenic C[C@H](CO)c1ccc2c(c1)CC[C@@H]1[C@]2(C)C[C@@H](O)C[C@@]1(C)C(=O)O ZINC000095099222 EF Annotated Anodyne in-vitro biogenic O=C1OC[C@@]23C1=C[C@H]1C[C@@]24C=CC2=C([C@H](c5ccoc5)OC2=O)[C@]43C1 ZINC000095099591 EF Annotated Anodyne in-vitro biogenic C/C(O)=C1/C(=O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@@H]3C(C)(C)N2C1=O ZINC000095192368 EF Annotated Mild COc1ccc(CCN[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1OC ZINC000095349339 EF Annotated Anodyne COc1ccc(CCN[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1OC ZINC000095349340 EF Annotated Anodyne Cc1c[nH]c(=O)n1-c1cccc(NC(=O)/C(C#N)=C/c2ccco2)c1 ZINC000095389761 EF Annotated Reactive C/C(=C/c1cccc(Cl)c1)C(=O)N1CCC[C@H](N2CCNC2=O)C1 ZINC000095442683 EF Annotated Anodyne C/C(=C/c1cccc(Cl)c1)C(=O)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000095442684 EF Annotated Anodyne C=C[C@H](C#CC#C[C@@H](O)CCCCCCCCOC(C)=O)OC(C)=O ZINC000095486060 EF Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](OC)CN1CC=C3C=C[C@H](OC)C[C@]321 ZINC000095486135 EF Annotated Anodyne in-vitro biogenic CC(=O)N[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1c1ccc(C)cc1 ZINC000095497553 EF Annotated Mild O[C@H]1[C@H](N2CCc3sccc3C2)c2ccccc2C12CCNCC2 ZINC000095523503 EF Annotated Anodyne Cc1oc(-c2cc(F)ccc2F)nc1CN1CCN(C)C(=O)[C@@H]1C ZINC000095527476 EF Annotated Anodyne CC(C)n1ccc2c(Oc3ccc(N)cc3)nc(S(C)(=O)=O)nc21 ZINC000095552011 EF Annotated Clean COc1cc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)ccn1 ZINC000095552351 EF Annotated Anodyne NC(=O)c1cc2cc(Cc3ccccc3)c(C(F)(F)F)nc2nc1N ZINC000095552417 EF Annotated Anodyne CNc1ccc2c3c(n(CCCN)c(=O)c2c1)-c1ccccc1C3=O ZINC000095552700 EF Annotated Clean N#CCC(=O)n1[nH]c(COc2cc(Cl)cc(Cl)c2)cc1=O ZINC000095552832 EF Annotated Mild Cc1ncsc1[C@H](OCCOCCO[N+](=O)[O-])c1ccccc1 ZINC000095553316 EF Annotated Anodyne Cc1ncsc1[C@@H](OCCOCCO[N+](=O)[O-])c1ccccc1 ZINC000095553317 EF Annotated Anodyne CN1CCN(C(=O)[C@@](F)(Cc2ccccc2)c2ccccc2)CC1 ZINC000095553948 EF Annotated Anodyne CN1CCN(C(=O)[C@](F)(Cc2ccccc2)c2ccccc2)CC1 ZINC000095553949 EF Annotated Anodyne Cc1cc(OC(=O)CCCCCO[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000095554166 EF Annotated Anodyne CC12OOC(C)(OO1)C2C[C@@H](Br)CBr ZINC000095554229 EF Annotated Reactive CC12OOC(C)(OO1)C2C[C@H](Br)CBr ZINC000095554230 EF Annotated Reactive NC(=O)c1cc2cc(Br)c(C3CCCC3)nc2nc1N ZINC000095554717 EF Annotated Anodyne COc1cccc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)n1 ZINC000095554847 EF Annotated Anodyne Cc1n[nH]c(C(=O)O)c1Cc1cccc(-c2ccc(C(N)=O)cc2)c1 ZINC000095555625 EF Annotated Anodyne Cc1ncsc1[C@H](NC(=O)C1(CO[N+](=O)[O-])CC1)c1ccccc1 ZINC000095556155 EF Annotated Anodyne Cc1ncsc1[C@@H](NC(=O)C1(CO[N+](=O)[O-])CC1)c1ccccc1 ZINC000095556156 EF Annotated Anodyne Cc1nc(C(=O)Nc2ccc(F)cn2)c(Nc2cncnc2)s1 ZINC000095556192 EF Annotated Anodyne CC/N=C(\N)Nc1ccc2cc3ccc(/N=C(\N)NCC)cc3nc2c1 ZINC000095556237 EF Annotated Mild NC(=O)c1cc2c(-c3ccccc3)cc(C(F)(F)F)nc2nc1N ZINC000095556831 EF Annotated Anodyne Cc1c(Cc2ccccc2)c(Cl)nc2nc(N)c(C(N)=O)cc12 ZINC000095557098 EF Annotated Anodyne CC(=O)Nc1cc(-c2c(Nc3cc[nH]n3)nc3ccccn23)nc(C)n1 ZINC000095557568 EF Annotated Anodyne Cc1nc(C(=O)Nc2cccc(CO)n2)c(Nc2cccnc2)s1 ZINC000095557625 EF Annotated Anodyne N#CC1(n2cc([C@@H](NC(=O)c3ccco3)C3CCCCC3)nn2)CC1 ZINC000095559105 EF Annotated Mild O=S1(=O)N=[S@@](c2ccc(Br)cc2)c2ccncc21 ZINC000095562310 EF Annotated Anodyne O=S1(=O)N=[S@](c2ccc(Br)cc2)c2ccncc21 ZINC000095562311 EF Annotated Anodyne C[C@@H]1CC(=O)[C@@H]2[C@@H](C(=O)O)CCC[C@H]2[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000095564232 EF Annotated Anodyne CCN1C(=O)CC[C@H]1C(=O)NCc1ccc(F)c(Cl)c1Cl ZINC000095566108 EF Annotated Anodyne CC(=O)Nc1ccc(NC(=O)Nc2ccnc3cccnc23)cc1O ZINC000095566196 EF Annotated Anodyne COC(=O)[C@]1(Sc2ccc(C)cc2)CC(=O)N[C@@H]1c1ccco1 ZINC000095567127 EF Annotated Anodyne Cc1ccnc(NC(=S)N2CCN(c3ccc(O)cc3)CC2)c1 ZINC000095567142 EF Annotated Anodyne Cc1cc(C)nc(NC(=S)N2CCN(c3nccs3)CC2)c1 ZINC000095567204 EF Annotated Anodyne C#CCN1CCc2onc(-c3ccc(Br)cc3)c2C1=O ZINC000095568201 EF Annotated Mild Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccncc2)c1C(=O)NC1CC1 ZINC000095568529 EF Annotated Anodyne CCOC(=O)N1C(=O)[C@@](CC)(c2cccc(C)c2)N1C(=O)OCC ZINC000095568625 EF Annotated Anodyne CCCCCn1nnnc1-c1nc2cc3ccccc3cc2[nH]c1=O ZINC000095569222 EF Annotated Bother N#C[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)Nc1cccc(F)c1 ZINC000095569464 EF Annotated Mild CC[C@@]1(c2ccc(Cl)cc2)C(=O)N(C(=O)OC)N1C(=O)OC ZINC000095570011 EF Annotated Anodyne CCCCn1nnnc1[C@]1(C)CCC(=O)N1CCc1ccccc1F ZINC000095570850 EF Annotated Anodyne CCCCn1nnnc1[C@@]1(C)CCC(=O)N1CCc1ccccc1F ZINC000095570851 EF Annotated Anodyne O=c1[nH]c2cc3ccccc3cc2nc1-c1nnnn1C1CCCC1 ZINC000095571014 EF Annotated Bother Cc1cc(C)nc(NC(=S)N2CCN(c3cncs3)CC2)c1 ZINC000095571212 EF Annotated Anodyne O=C(NC1CCCCC1)[C@H]1c2ccccc2OCC(=O)N1C1CC1 ZINC000095571372 EF Annotated Anodyne O=C(NC1CCCCC1)[C@@H]1c2ccccc2OCC(=O)N1C1CC1 ZINC000095571373 EF Annotated Anodyne Cc1cc2nc(-c3nnnn3-c3c(C)cccc3C)c(=O)[nH]c2cc1C ZINC000095571487 EF Annotated Anodyne C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(cc12)C(=O)C=C(CO)C3=O ZINC000095571910 EF Annotated Mild CC(C)(C)c1ccc(CCN2CC=C(CCC(=O)NO)C2=O)cc1 ZINC000095572338 EF Annotated Bother O=[N+]([O-])c1cc(Nc2ncnc3c2sc2nccnc23)ccc1O ZINC000095572989 EF Annotated Bother FC(F)(F)CCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)on1 ZINC000095573386 EF Annotated Anodyne CC#Cc1cncc(-c2cc([C@]3(C)CC(=O)N(C)C(=N)N3)cs2)c1 ZINC000095573683 EF Annotated Mild Cc1ncc(C)n2nc(CCc3cn(C)c(-c4cccs4)n3)nc12 ZINC000095573970 EF Annotated Anodyne O=C(N1CCN(C/C=C/c2ccccc2)CC1)n1nnc2ccccc21 ZINC000095574295 EF Annotated Anodyne Cc1ccc(C)c(OCCCC(C)(C)C(=O)NS(C)(=O)=O)c1 ZINC000095574752 EF Annotated Anodyne Cc1cc2c(-c3ccccn3)c[nH]c2c(C(=O)Nc2ccn(C)n2)n1 ZINC000095574812 EF Annotated Anodyne CCn1ccnc1-c1c[nH]c2c(C(=O)Nc3ccn(C)n3)nc(C)cc12 ZINC000095575346 EF Annotated Anodyne CC#Cc1cncc(-c2ccc([C@]3(C)CC(=O)N(C)C(=N)N3)s2)c1 ZINC000095575404 EF Annotated Mild C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(cc12)C(=O)C(CO)=CC3=O ZINC000095575996 EF Annotated Mild COc1ccc(NC(=O)Nc2c([N+]#N)c(C)nn2C)c([N+](=O)[O-])c1 ZINC000095576654 EF Annotated Bother N=C1Sc2cc(-c3ccc(C(N)=O)cc3)ccc2C2=NCCCN12 ZINC000095576764 EF Annotated Anodyne Cc1cc(-c2ccsc2)nnc1N1CCN(c2ncccn2)CC1 ZINC000095577820 EF Annotated Anodyne [O-][n+]1onc2cc(OCc3ccc(Br)cc3F)ccc21 ZINC000095578617 EF Annotated Anodyne O=C(CCC1=CCN(CCCCc2ccc(Cl)cc2)C1=O)NO ZINC000095578667 EF Annotated Bother CC(C)(C)c1ccc(CCCN2CC=C(CCC(=O)NO)C2=O)cc1 ZINC000095578780 EF Annotated Bother CC(C)c1ccc(CCCN2CC=C(CCC(=O)NO)C2=O)cc1 ZINC000095579727 EF Annotated Bother Cc1ccc(C)n2nc(CCc3nc(-c4ccsc4)nn3C)nc12 ZINC000095579853 EF Annotated Anodyne O=C1CCN(C(=S)Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000095580127 EF Annotated Bother Cc1nc(NC(=O)c2cccnc2)c2nn(-c3ccccc3)cc2n1 ZINC000095581071 EF Annotated Anodyne CN(C)CCCn1c2c(c3ccc(N)cc3c1=O)C(=O)c1ccccc1-2 ZINC000095581834 EF Annotated Clean C/C(=N\OC(=O)N1CCCCC1)c1cccc(N2CCN(C)CC2)c1 ZINC000095582978 EF Annotated Mild O=C(NCC(=O)c1ccc(F)cc1)Nc1ccc2nnsc2c1 ZINC000095583893 EF Annotated Anodyne O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C(NCc1ccccc1)S2 ZINC000095584893 EF Annotated Bother O=C(O)c1cc(-c2ccccc2O)nc2c1cnn2Cc1ccncc1 ZINC000095585047 EF Annotated Anodyne O=C(NCc1ccc([N+](=O)[O-])cc1)Nc1ccc2nnsc2c1 ZINC000095585076 EF Annotated Bother O=C(O)c1cc(-c2cccc(O)c2)nc2c1cnn2Cc1ccncc1 ZINC000095585876 EF Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CN3CCSC3)[nH]c21 ZINC000095585996 EF Annotated Clean CC[C@@H](CO)NCc1cccc2c(=O)c3ccc(OC)cc3oc12 ZINC000095586038 EF Annotated Bother CC(=O)N1CCC(Cn2nc3ccccc3c2CCCCO)CC1 ZINC000095586212 EF Annotated Anodyne CC[C@@H](CO)NCc1ccc2oc3cc(OC)ccc3c(=O)c2c1 ZINC000095586549 EF Annotated Bother CCOC(=O)C1=C(C)N/C(=C/c2n[nH]cc2-c2ccc(F)cc2)C1=O ZINC000095586801 EF Annotated Mild CCOC(=O)C1=C(C)N/C(=C/c2conc2-c2ccc(F)cc2)C1=O ZINC000095586889 EF Annotated Mild C[C@@H]1OC[C@H]2[C@@H]3C=C4C(=Nc5ccccc54)[C@H](C[C@H]2[C@@H]1CO)[N+]3(C)[O-] ZINC000095587216 EF Annotated Bother CCCCCCCCOC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OCO[C@H]21 ZINC000095587478 EF Annotated Mild C[C@@H]1OC[C@H]2[C@@H]3Cc4c(n(C)c5ccccc45)[C@H](C[C@H]2[C@H]1CO)N3C ZINC000095587543 EF Annotated Anodyne N[C@@H](Cc1ccc(F)cc1)c1nc(=O)c2cc(-c3cn[nH]c3)ccc2[nH]1 ZINC000095587647 EF Annotated Anodyne CC[C@H](CO)NCc1cccc2c(=O)c3ccc(OC)cc3oc12 ZINC000095587711 EF Annotated Bother N[C@H](Cc1ccc(F)cc1)c1nc(=O)c2cc(-c3cn[nH]c3)ccc2[nH]1 ZINC000095587825 EF Annotated Anodyne O=C(C1=CC=C(O)[C@@]2(O)OCC3(CCCC3)N=C12)c1ccccc1 ZINC000095588092 EF Annotated Mild O=C(C1=CC=C(O)[C@]2(O)OCC3(CCCC3)N=C12)c1ccccc1 ZINC000095588093 EF Annotated Mild CC(C)[C@@]1(O)CC(=O)C2=C(C1)[C@H](O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)CO ZINC000095588420 EF Annotated Mild C=CCNC(=S)N/N=C(/c1ccc(OC)cc1)c1cccc(C)n1 ZINC000095588943 EF Annotated Mild CC(C)(O)C#Cc1ccc2[nH]c3c(c2c1)-c1nc(N)ncc1CCC3 ZINC000095589024 EF Annotated Mild COc1ccc(/C(=N/NC(=S)N(C)C)c2cccc(C)n2)cc1 ZINC000095589025 EF Annotated Mild Cc1nn(-c2ccccc2)c2nc3c(nc12)/C(=N/N)c1ccccc1-3 ZINC000095589113 EF Annotated Mild O=C(CCc1nnc2sc(CCl)nn12)c1nc2ccccc2[nH]1 ZINC000095589206 EF Annotated Reactive C=C(C)[C@H](O)COc1cc(OC)c2c(c1)C(=O)c1c(O)ccc(O)c1-2 ZINC000095589501 EF Annotated Mild CCNC(=S)N/N=C(/c1ccc(OC)cc1)c1cccc(C)n1 ZINC000095590591 EF Annotated Mild CN(C)c1ccc(-n2cc(Cn3cccc(O)c3=S)nn2)cc1 ZINC000095591394 EF Annotated Anodyne C=C(C)[C@H](O)COc1cc(OC)c2c(c1)C(=O)c1cc(O)cc(O)c1-2 ZINC000095591506 EF Annotated Mild COc1cccc2c1C(=O)c1c(OC)cc(C[N+](C)(C)C)cc1C2=O ZINC000095591655 EF Annotated Clean CC[C@H](CO)NCc1ccc2oc3cc(OC)ccc3c(=O)c2c1 ZINC000095592632 EF Annotated Bother C/C=C\c1nn2c(CCC(=O)c3nc4ccccc4[nH]3)nnc2s1 ZINC000095592928 EF Annotated Anodyne O=C(Nc1nc2ccc(C3=NCCN3)cc2[nH]1)c1cc2ccccc2o1 ZINC000095593482 EF Annotated Anodyne Cc1nc2sc(C(=O)N[C@@H]3CCOC3)c(N)c2c(C)c1Cl ZINC000095594776 EF Annotated Anodyne Cc1nc2sc(C(=O)N[C@H]3CCOC3)c(N)c2c(C)c1Cl ZINC000095594777 EF Annotated Anodyne Cc1nc2sc(C(=O)NCc3cnccn3)c(N)c2c(C)c1Cl ZINC000095594825 EF Annotated Anodyne CC(=O)Nc1cc(COCc2ccc(O)c(NC(C)=O)c2)ccc1O ZINC000095595297 EF Annotated Anodyne Cc1nc2sc(C(=O)NCc3ccncn3)c(N)c2c(C)c1Cl ZINC000095595350 EF Annotated Anodyne C=C1CC[C@H]2O[C@@H]1CC/C(CO)=C/[C@H](O)[C@@H](C(=C)C)CC[C@@]2(C)O ZINC000095595695 EF Annotated Mild O=C(O)[C@@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])c2cccnc2c1O ZINC000095595856 EF Annotated Clean COCCCNC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N ZINC000095596034 EF Annotated Anodyne S=c1oc(-c2ccc3ccccc3n2)nn1CN1CCOCC1 ZINC000095596700 EF Annotated Anodyne CCOC(=O)/C(C#N)=C/[C@H](C(=O)c1ccccc1)[n+]1ccc(C)cc1 ZINC000095596810 EF Annotated Reactive Cn1cc(-c2ccc(CN3C(=O)[C@@H](N)c4ccccc43)c(F)c2)cn1 ZINC000095597166 EF Annotated Anodyne Clc1cccc(CN(CCBr)CCn2cncn2)c1 ZINC000095597628 EF Annotated Reactive NS(=O)(=O)c1cccc2cc(SCCOc3ccccc3)[nH]c12 ZINC000095597708 EF Annotated Anodyne Cc1nc2sc(C(=O)NCc3ncccn3)c(N)c2c(C)c1Cl ZINC000095597891 EF Annotated Anodyne C=C(C)[C@H]1CC/C(C)=C/CC[C@@](C)(O)[C@H](O)CC/C(CO)=C/[C@@H]1O ZINC000095598350 EF Annotated Mild Clc1ccccc1CN(CCBr)CCn1cncn1 ZINC000095598429 EF Annotated Reactive Cc1ccc2c(c1)C(=O)N1c3cc(C)c(C)cc3NC(=O)[C@@H]1C(=O)N2 ZINC000095598735 EF Annotated Anodyne Cc1ccc2c(c1)C(=O)N1c3cc(C)c(C)cc3NC(=O)[C@H]1C(=O)N2 ZINC000095598736 EF Annotated Anodyne CC(C)CCN1C(=O)CSC[C@@]1(C)C(=O)NCc1ccccc1 ZINC000095598820 EF Annotated Anodyne CC(C)CCN1C(=O)CSC[C@]1(C)C(=O)NCc1ccccc1 ZINC000095598821 EF Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H]1c2ccccc2C(=O)N1C1CC1 ZINC000095599287 EF Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H]1c2ccccc2C(=O)N1C1CC1 ZINC000095599288 EF Annotated Anodyne COc1ccc2c(c1)C(=O)O[C@@H](c1ccccc1)C[C@@H](O)C(=O)CC2 ZINC000095600063 EF Annotated Anodyne CC(C)n1nnnc1[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000095601978 EF Annotated Anodyne CC(C)n1nnnc1[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000095601979 EF Annotated Anodyne O=C(O)CCc1sc(/C=C2\NC(=O)CS2)nc1-c1ccccc1 ZINC000095602094 EF Annotated Anodyne CC[C@@H](C(=O)O)N1Cc2sc(-c3ccccc3)cc2S1(=O)=O ZINC000095602858 EF Annotated Anodyne CC[C@H](C(=O)O)N1Cc2sc(-c3ccccc3)cc2S1(=O)=O ZINC000095602859 EF Annotated Anodyne CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N1CCOCC1 ZINC000095603039 EF Annotated Anodyne CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N1CCOCC1 ZINC000095603040 EF Annotated Anodyne Oc1ccc(-c2nnc(CN3CCc4ccsc4C3)o2)cc1O ZINC000095603181 EF Annotated Clean [N-]=[N+]=N[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000095603391 EF Annotated Clean [N-]=[N+]=N[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000095603392 EF Annotated Clean [N-]=[N+]=N[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000095603393 EF Annotated Clean [N-]=[N+]=N[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000095603394 EF Annotated Clean COc1ccc([C@@H](O)[C@@](O)(C(=O)OC(C)C)c2ccc(C)cc2)cc1 ZINC000095605702 EF Annotated Anodyne COc1ccc([C@@H](O)[C@](O)(C(=O)OC(C)C)c2ccc(C)cc2)cc1 ZINC000095605703 EF Annotated Anodyne COc1ccc([C@H](O)[C@@](O)(C(=O)OC(C)C)c2ccc(C)cc2)cc1 ZINC000095605704 EF Annotated Anodyne COc1ccc([C@H](O)[C@](O)(C(=O)OC(C)C)c2ccc(C)cc2)cc1 ZINC000095605705 EF Annotated Anodyne CCCCNC(=O)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccco1 ZINC000095605707 EF Annotated Anodyne CCCCNC(=O)[C@H]1c2ccccc2OCC(=O)N1Cc1ccco1 ZINC000095605708 EF Annotated Anodyne CCN(CC)c1ccc2nc3c(C(N)=O)cc(O)c(O)c3[o+]c2c1 ZINC000095626780 EF Annotated Clean in-vitro O=C(O)/C(=C1\OCO\C1=C(/C(=O)O)c1ccccc1)c1ccccc1 ZINC000095627990 EF Annotated Anodyne in-vitro C/C=C/c1ccccc1[C@@H]1[C@H](C#N)N(C(=O)c2cccnc2)[C@H]1CO ZINC000095663703 EF Annotated Mild CCCC#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)C1CC1)[C@@H](CO)N2 ZINC000095665154 EF Annotated Mild c1ccc(Cn2nnc(NCc3ccc(N4CCCC4)cc3)n2)cc1 ZINC000095665651 EF Annotated Clean C/C=C/c1ccc([C@H]2[C@@H](CO)N[C@@H]2CNC(=O)C2CCCCC2)cc1 ZINC000095667721 EF Annotated Anodyne O=C(NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C1CCC1 ZINC000095668116 EF Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCC3)[C@H]2C#N)cc1 ZINC000095668362 EF Annotated Mild CN(C)C(=O)c1ccc(OC2CC2)cc1I ZINC000095714032 EF Annotated Anodyne CN(C)C(=O)c1ccc(OC2CC2)c(I)c1 ZINC000095719553 EF Annotated Anodyne CN(C)C(=O)c1ccc(I)c(OC2CC2)c1 ZINC000095720980 EF Annotated Anodyne CN(C)C(=O)c1ccc(I)cc1OC1CC1 ZINC000095721065 EF Annotated Anodyne CN(C)C(=O)c1cccc(OC2CC2)c1I ZINC000095721804 EF Annotated Anodyne CN(C)C(=O)c1cc(OC2CC2)ccc1I ZINC000095722418 EF Annotated Anodyne CN(C)C(=O)c1c(I)cccc1OC1CC1 ZINC000095724033 EF Annotated Anodyne CN(C)C(=O)c1cc(I)cc(OC2CC2)c1 ZINC000095724137 EF Annotated Anodyne CN(C)C(=O)c1cc(I)ccc1OC1CC1 ZINC000095724615 EF Annotated Anodyne CN(C)C(=O)c1cccc(I)c1OC1CC1 ZINC000095725370 EF Annotated Anodyne O=C(O)[C@H](CC1=CN=C2C=CC=C[C@H]12)Nc1ccc([N+](=O)[O-])cc1 ZINC000095743772 EF Annotated Bother O=C(O)[C@H](CC1=CN=C2C=CC=C[C@@H]12)Nc1ccc([N+](=O)[O-])cc1 ZINC000095743773 EF Annotated Bother O=C(O)[C@@H](CC1=CN=C2C=CC=C[C@H]12)Nc1ccc([N+](=O)[O-])cc1 ZINC000095743776 EF Annotated Bother O=C(O)[C@@H](CC1=CN=C2C=CC=C[C@@H]12)Nc1ccc([N+](=O)[O-])cc1 ZINC000095743777 EF Annotated Bother COC(=O)Cn1nc(-c2cccc(OC)c2OC)c2ccccc21 ZINC000095755528 EF Annotated Anodyne COC(=O)Cn1nc(-c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000095755531 EF Annotated Anodyne N=C1NC(=O)/C(=C\c2c[nH]c(=O)c(-c3ccc4cc[nH]c4c3)c2)S1 ZINC000095755618 EF Annotated Anodyne O=C(COc1c(Cl)cc(Cl)cc1Cl)N/N=C/c1cc[nH]n1 ZINC000095755663 EF Annotated Reactive CC(C)(C)OC(=O)N1CCN(CCC(=O)O)C[C@@H]1c1ccccc1 ZINC000095760820 EF Annotated Anodyne CC(C)(C)OC(=O)N1CCN(CCC(=O)O)C[C@H]1c1ccccc1 ZINC000095760821 EF Annotated Anodyne CC(C)(C)OC(=O)N1CCN(CCC(=O)O)[C@H](Cc2ccccc2)C1 ZINC000095760832 EF Annotated Anodyne CC(C)(C)OC(=O)N1CCN(CCC(=O)O)[C@@H](Cc2ccccc2)C1 ZINC000095760833 EF Annotated Anodyne COC(=O)c1cc(NC(=O)OC(C)(C)C)ncc1Br ZINC000095762112 EF Annotated Anodyne CC(C)(C)OC(=O)NCCc1cc(C=O)cc(Br)n1 ZINC000095767604 EF Annotated Anodyne CC(C)(C)OC(=O)NCCc1cc(Br)cc(C=O)n1 ZINC000095767798 EF Annotated Anodyne CC(C)(C)OC(=O)NCCc1cc(Br)nc(C=O)c1 ZINC000095767972 EF Annotated Anodyne C#Cc1ccc([C@H]2C=C(C(=O)O)O[C@@H](OCC)[C@@H]2CCCO)cc1 ZINC000095783967 EF Annotated Mild CCO[C@H]1OC(C(=O)NC2CC2)=C[C@@H](C(C)(C)C)[C@@H]1CCCO ZINC000095783973 EF Annotated Anodyne CCOc1ccc(N2C(=O)CS(=O)(=O)[C@H]2c2ccccc2)cc1 ZINC000095784956 EF Annotated Anodyne CCOc1ccc(N2C(=O)CS(=O)(=O)[C@@H]2c2ccccc2)cc1 ZINC000095784958 EF Annotated Anodyne O=C(NC[C@@H]1CC[C@@H]2[C@@H](CN2Cc2cccc(Cl)c2)O1)C1CCC1 ZINC000095795576 EF Annotated Anodyne C/C=C/c1ccccc1[C@@H]1[C@@H](C#N)N(C(=O)c2cccnc2)[C@H]1CO ZINC000095797111 EF Annotated Mild C/C=C/c1ccccc1[C@@H]1[C@@H](CO)N(C(=O)c2cccnc2)[C@H]1C#N ZINC000095797115 EF Annotated Mild O=C(NC[C@H]1CC[C@@H]2[C@@H](CN2Cc2cccc(Cl)c2)O1)C1CC1 ZINC000095797346 EF Annotated Anodyne C/C=C/c1ccccc1[C@@H]1[C@@H](C#N)N(C(=O)c2cccnc2)[C@@H]1CO ZINC000095797466 EF Annotated Mild C/C=C/c1ccccc1[C@H]1[C@H](C#N)N(C(=O)c2cccnc2)[C@H]1CO ZINC000095797467 EF Annotated Mild COc1ccccc1C#Cc1ccc2c(c1)[C@H]1NCC[C@H]1[C@@H](CO)N2 ZINC000095797509 EF Annotated Mild O=C(NC[C@@H]1CC[C@H]2[C@H](CN2Cc2cccc(Cl)c2)O1)C1CC1 ZINC000095797650 EF Annotated Anodyne O=C(NC[C@@H]1CC[C@H]2[C@H](CN2Cc2cccc(Cl)c2)O1)C1CCC1 ZINC000095797657 EF Annotated Anodyne C/C=C/c1ccccc1[C@H]1[C@@H](C#N)N(C(=O)Cc2ccccn2)[C@@H]1CO ZINC000095797691 EF Annotated Mild O=C(NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1CC1CCCC1)C1CC1 ZINC000095797692 EF Annotated Anodyne CCCC#Cc1ccc2c(c1)[C@H]1[C@H](CCN1C(=O)C1CC1)[C@H](CO)N2 ZINC000095797724 EF Annotated Mild COc1ccccc1C#Cc1ccc2c(c1)[C@@H]1NCC[C@@H]1[C@H](CO)N2 ZINC000095797789 EF Annotated Mild C/C=C/c1ccccc1[C@H]1[C@@H](C#N)N(C(=O)c2cccnc2)[C@@H]1CO ZINC000095798362 EF Annotated Mild CC1(C)[C@H]2CC=C(/C=N\NC(=O)c3ccc(C(=O)NO)cc3)[C@@H]1C2 ZINC000095808382 EF Annotated Reactive O=C(O)CCCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])s1 ZINC000095808434 EF Annotated Reactive O=C(O)CCCCCCC(=O)N/N=C/c1ccc(Br)o1 ZINC000095808452 EF Annotated Reactive O=C(O)CCCCCC(=O)N/N=C/c1ccc(Br)o1 ZINC000095808467 EF Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)c1ccccc1O ZINC000095808646 EF Annotated Reactive O=C(O)CCCCCC(=O)N/N=C/c1cc(Br)cs1 ZINC000095808748 EF Annotated Reactive C=C(C)[C@@H]1CC=C(/C=N/NC(=O)c2cccc(C(=O)NO)c2)CC1 ZINC000095808795 EF Annotated Reactive CC(C)(C)OC(=O)NC1(/C=N/NC(=O)c2ccccc2O)CCCC1 ZINC000095808997 EF Annotated Reactive CC1(C)COC(CCC/C=N/NC(=O)CCCCCC(=O)O)OC1 ZINC000095809012 EF Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])s1 ZINC000095809405 EF Annotated Reactive C=C(C)[C@@H]1CC=C(/C=N/NC(=O)c2ccc(C(=O)NO)cc2)CC1 ZINC000095809692 EF Annotated Reactive O=C(O)CCCCCC(=O)N/N=C/c1ccc(Br)s1 ZINC000095809746 EF Annotated Reactive O=C(NC[C@@H]1CC[C@@H]2[C@@H](CN2Cc2cccc(Cl)c2)O1)C1CC1 ZINC000095869187 EF Annotated Anodyne O=C(NC[C@H]1CC[C@H]2[C@H](CN2Cc2cccc(Cl)c2)O1)C1CCC1 ZINC000095869283 EF Annotated Anodyne O=C(NC[C@H]1CC[C@H]2[C@H](CN2Cc2cccc(Cl)c2)O1)C1CC1 ZINC000095869434 EF Annotated Anodyne CC(C)CN(C[C@H]1N[C@H](CO)[C@@H]1c1ccccc1)C(=O)C1CCCC1 ZINC000095871797 EF Annotated Anodyne C/C=C/c1ccccc1[C@@H]1[C@H](C#N)N(C(=O)Cc2ccccn2)[C@H]1CO ZINC000095871835 EF Annotated Mild C/C=C/c1ccccc1[C@@H]1[C@@H](CO)N(C(=O)Cc2ccccn2)[C@H]1C#N ZINC000095871837 EF Annotated Mild C/C=C/c1ccccc1[C@@H]1[C@@H](C#N)N(C(=O)Cc2ccccn2)[C@H]1CO ZINC000095871839 EF Annotated Mild CCOC(=O)N1C(=O)[C@]2(CCCOC2)N(c2ccc(C)cc2)C1=S ZINC000095872341 EF Annotated Anodyne CCOC(=O)N1C(=O)C2(CCOCC2)N(c2ccc(C)cc2)C1=S ZINC000095872965 EF Annotated Anodyne CN1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095875275 EF Annotated Anodyne CN1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095875276 EF Annotated Anodyne CN1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095875277 EF Annotated Anodyne CN1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095875278 EF Annotated Anodyne CN1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095875279 EF Annotated Anodyne CN1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095875280 EF Annotated Anodyne CN1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095875532 EF Annotated Anodyne CN1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095875533 EF Annotated Anodyne COC(=O)[C@H]1C[C@]23C=CCN4CC[C@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@H]43 ZINC000095884367 EF Annotated Anodyne COC(=O)[C@H]1C[C@]23C=CCN4CC[C@]5(c6ccccc6N[C@@]15[C@H]2C)[C@H]43 ZINC000095884369 EF Annotated Anodyne COC(=O)[C@@H]1C[C@]23C=CCN4CC[C@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@H]43 ZINC000095884371 EF Annotated Anodyne COC(=O)[C@@H]1C[C@]23C=CCN4CC[C@]5(c6ccccc6N[C@@]15[C@H]2C)[C@H]43 ZINC000095884372 EF Annotated Anodyne CN1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccc(F)cc1 ZINC000095893753 EF Annotated Anodyne CN1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccc(F)cc1 ZINC000095893754 EF Annotated Anodyne CN1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccc(F)cc1 ZINC000095893755 EF Annotated Anodyne CN1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccc(F)cc1 ZINC000095893756 EF Annotated Anodyne O=C(Nc1ccccc1F)N1[C@H](CO)[C@H]2c3ccccc3NC[C@H]21 ZINC000095893883 EF Annotated Anodyne O=C(Nc1ccccc1F)N1[C@H](CO)[C@@H]2c3ccccc3NC[C@@H]21 ZINC000095894117 EF Annotated Anodyne O=C(Nc1ccccc1F)N1[C@@H]2CNc3ccccc3[C@@H]2[C@@H]1CO ZINC000095894147 EF Annotated Anodyne O=C(Nc1ccccc1F)N1[C@@H](CO)[C@@H]2c3ccccc3NC[C@@H]21 ZINC000095894149 EF Annotated Anodyne CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2CC1CCCC1 ZINC000095894441 EF Annotated Anodyne CCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2CC1CCCC1 ZINC000095894442 EF Annotated Anodyne O=C(Nc1ccc(F)cc1)N1[C@@H]2CNc3ccccc3[C@@H]2[C@@H]1CO ZINC000095894712 EF Annotated Anodyne O=C(Nc1ccc(F)cc1)N1[C@H](CO)[C@@H]2c3ccccc3NC[C@@H]21 ZINC000095894713 EF Annotated Anodyne O=C(Nc1ccc(F)cc1)N1[C@@H](CO)[C@@H]2c3ccccc3NC[C@@H]21 ZINC000095894714 EF Annotated Anodyne O=C(Nc1ccc(F)cc1)N1[C@H](CO)[C@H]2c3ccccc3NC[C@H]21 ZINC000095894715 EF Annotated Anodyne CN1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1cccc(F)c1 ZINC000095894758 EF Annotated Anodyne CN1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1cccc(F)c1 ZINC000095894759 EF Annotated Anodyne CN1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1cccc(F)c1 ZINC000095894760 EF Annotated Anodyne CN1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1cccc(F)c1 ZINC000095894761 EF Annotated Anodyne O=C(NC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1CC1CCCC1)C1CC1 ZINC000095895624 EF Annotated Anodyne O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1CC1CCCC1)C1CC1 ZINC000095895625 EF Annotated Anodyne O=C(NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1CC1CCCC1)C1CC1 ZINC000095895626 EF Annotated Anodyne CC(C)N(C[C@H]1N[C@@H](CO)[C@H]1c1ccccc1)C(=O)c1ccccc1 ZINC000095895661 EF Annotated Anodyne CC(C)N(C[C@@H]1N[C@H](CO)[C@@H]1c1ccccc1)C(=O)c1ccccc1 ZINC000095895662 EF Annotated Anodyne CCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1CC1CCCC1)C(C)=O ZINC000095895671 EF Annotated Anodyne CCCC#Cc1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CCC3)[C@H]2C#N)cc1 ZINC000095896170 EF Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)C3CCC3)[C@H]2CO)cc1 ZINC000095896171 EF Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)C3CCC3)[C@@H]2CO)cc1 ZINC000095896172 EF Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)C3CCC3)[C@H]2CO)cc1 ZINC000095896173 EF Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](C#N)N(C(=O)C3CCC3)[C@H]2CO)cc1 ZINC000095896174 EF Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](C#N)N(C(=O)C3CCC3)[C@H]2CO)cc1 ZINC000095896175 EF Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)C3CCC3)[C@@H]2CO)cc1 ZINC000095896176 EF Annotated Mild N#C[C@@H]1[C@@H](c2ccc(-c3ccncc3)cc2)[C@@H](CO)N1C(=O)C1CCC1 ZINC000095896199 EF Annotated Mild N#C[C@H]1[C@@H](c2ccc(-c3ccncc3)cc2)[C@@H](CO)N1C(=O)C1CCC1 ZINC000095896200 EF Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)C3CCC3)[C@@H]2CO)cc1 ZINC000095896242 EF Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)C3CCC3)[C@H]2CO)cc1 ZINC000095896243 EF Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@H](C#N)N(C(=O)C3CCC3)[C@H]2CO)cc1 ZINC000095896244 EF Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@H](C#N)N(C(=O)C3CCC3)[C@H]2CO)cc1 ZINC000095896245 EF Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)C3CCC3)[C@H]2CO)cc1 ZINC000095896246 EF Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CCC3)[C@H]2C#N)cc1 ZINC000095896247 EF Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)C3CCC3)[C@@H]2CO)cc1 ZINC000095896248 EF Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCC3)[C@H]2C#N)cc1 ZINC000095896249 EF Annotated Mild C/C=C/c1ccc([C@@H]2[C@H](C#N)N(C(=O)Cc3ccccn3)[C@H]2CO)cc1 ZINC000095897491 EF Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](C#N)N(C(=O)Cc3ccccn3)[C@@H]2CO)cc1 ZINC000095897492 EF Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](C#N)N(C(=O)Cc3ccccn3)[C@H]2CO)cc1 ZINC000095897493 EF Annotated Mild C/C=C/c1ccc([C@@H]2[C@@H](C#N)N(C(=O)Cc3ccccn3)[C@@H]2CO)cc1 ZINC000095897494 EF Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)Cc3ccccn3)[C@H]2C#N)cc1 ZINC000095897495 EF Annotated Mild N#C[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095897526 EF Annotated Mild N#C[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H](CO)N1C(=O)C1CCC1 ZINC000095897527 EF Annotated Mild N#C[C@@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095897528 EF Annotated Mild N#C[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H](CO)N1C(=O)C1CCC1 ZINC000095897529 EF Annotated Mild C/C=C/c1ccc([C@@H]2[C@H](C#N)N(C(=O)c3cccnc3)[C@H]2CO)cc1 ZINC000095898062 EF Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](C#N)N(C(=O)c3cccnc3)[C@@H]2CO)cc1 ZINC000095898063 EF Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](C#N)N(C(=O)c3cccnc3)[C@H]2CO)cc1 ZINC000095898064 EF Annotated Mild C/C=C/c1ccc([C@@H]2[C@@H](C#N)N(C(=O)c3cccnc3)[C@@H]2CO)cc1 ZINC000095898065 EF Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)c3cccnc3)[C@H]2C#N)cc1 ZINC000095898066 EF Annotated Mild COc1ccccc1NC(=O)N1[C@H](C#N)[C@@H](c2ccccc2)[C@@H]1CO ZINC000095898127 EF Annotated Mild COc1ccccc1NC(=O)N1[C@H](C#N)[C@H](c2ccccc2)[C@@H]1CO ZINC000095898128 EF Annotated Mild COc1ccccc1NC(=O)N1[C@@H](C#N)[C@H](c2ccccc2)[C@@H]1CO ZINC000095898129 EF Annotated Mild COc1ccccc1NC(=O)N1[C@H](C#N)[C@H](c2ccccc2)[C@H]1CO ZINC000095898130 EF Annotated Mild COc1ccccc1NC(=O)N1[C@@H](C#N)[C@@H](c2ccccc2)[C@@H]1CO ZINC000095898131 EF Annotated Mild COc1ccccc1NC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1C#N ZINC000095898132 EF Annotated Mild COc1ccccc1NC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1C#N ZINC000095898133 EF Annotated Mild N#C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)Nc1cccc(F)c1 ZINC000095898175 EF Annotated Mild N#C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)Nc1cccc(F)c1 ZINC000095898176 EF Annotated Mild N#C[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)Nc1cccc(F)c1 ZINC000095898177 EF Annotated Mild N#C[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)Nc1cccc(F)c1 ZINC000095898178 EF Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)Nc1cccc(F)c1 ZINC000095898179 EF Annotated Mild N#C[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)Nc1cccc(F)c1 ZINC000095898180 EF Annotated Mild CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H]2C[C@@H](C)C[C@@]34[C@@H]1CCCN3CCC[C@H]24 ZINC000095909286 EF Annotated Anodyne in-vitro biogenic COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1C=CO[C@]1(C)O2 ZINC000095909345 EF Annotated Anodyne in-vitro biogenic COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@@H]1CCO[C@]1(C)O2 ZINC000095909346 EF Annotated Anodyne in-vitro biogenic CC(C)(O)[C@@H](O)Cc1cc(/C=C\c2cc(O)cc(O)c2)ccc1O ZINC000095909540 EF Annotated Anodyne in-vitro biogenic C[C@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12COC[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000095910564 EF Annotated Anodyne in-vitro biogenic C[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](O)[C@]2(C)O)[C@@]1(C=O)CC(=O)c1ccoc1 ZINC000095910626 EF Annotated Mild in-vitro biogenic CCCCCCCCCCCC[C@@H](O)[C@@]1(O)C(=O)C[C@H](OC)[C@H]1O ZINC000095910638 EF Annotated Mild in-vitro biogenic COc1ccc(C(=O)O[C@H]2C=C(C)CC[C@]3(O)[C@@H](C)CC(=O)[C@H]23)cc1 ZINC000095911481 EF Annotated Anodyne in-vitro biogenic Cc1c(O)cc(O)c2c1OC[C@H](Cc1ccc3c(c1)OCO3)C2=O ZINC000095912456 EF Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(CC)CCC[C@](C)(C=O)[C@H]1C[C@H]3O ZINC000095913413 EF Annotated Mild in-vitro biogenic COc1cccc2c3c4c5c(cc6c(c5c12)OCO6)CCN4C(=O)C3=O ZINC000095913547 EF Annotated Bother in-vitro biogenic CC1=C2[C@@H](O)C3=C(C[C@H]2OC1=O)[C@]1(C)CCC[C@@](C)(CO)[C@H]1CC3 ZINC000095914322 EF Annotated Anodyne in-vitro biogenic CC1=C2[C@@H](CC3=C(CC[C@@H]4[C@](C)(CO)CCC[C@@]34C)[C@H]2O)OC1=O ZINC000095914323 EF Annotated Anodyne in-vitro biogenic C[C@@H]1CC(=O)[C@@H]2CC(CO)=CCC[C@H]2[C@@]1(C)CC/C(=C/CO)CO ZINC000095914401 EF Annotated Anodyne in-vitro biogenic C=C1CC[C@H]2[C@@H]([C@H]3[C@H](COC(C)=O)CC[C@H](OC(C)=O)[C@@H]13)[C@]2(C)C=O ZINC000095914437 EF Annotated Mild in-vitro biogenic CC(C)C1=C[C@]2(O)CC[C@@H]3C(C)(C)CCC[C@]3(O)[C@@H](O)C2=CC1=O ZINC000095915070 EF Annotated Mild in-vitro biogenic C=C1C[C@]23C[C@H](O)[C@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N(CCO)C5 ZINC000095918716 EF Annotated Mild in-vitro biogenic CC(=O)C1=CC[C@H]2C3=CCC4=C[C@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC(=O)[C@]12C ZINC000095918950 EF Annotated Anodyne C=C1C[C@]23CC(=O)[C@@H]4[C@@]5(C)CC(=O)C[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N(C)C5 ZINC000095919336 EF Annotated Mild in-vitro biogenic CC(C)C1=C(O)C(=O)C([C@]2(C)CCCC(C)(C)C2=O)=C(C(=O)O)C1=O ZINC000095919419 EF Annotated Mild in-vitro biogenic CC(=C/C(=O)O)/C=C(/C)C[C@H](C)CCCC[C@@H](O)[C@H](C=O)CO ZINC000095920579 EF Annotated Mild CC(=C/C(=O)O)/C=C(\C)C[C@H](C)CCCC[C@@H](O)[C@H](C=O)CO ZINC000095920580 EF Annotated Mild C/C(=C/C(C)=C/C(=O)O)C[C@H](C)CCCC[C@@H](O)[C@H](C=O)CO ZINC000095920581 EF Annotated Mild CC(=C\C(=O)O)/C=C(\C)C[C@H](C)CCCC[C@@H](O)[C@H](C=O)CO ZINC000095920582 EF Annotated Mild Nc1nc(Nc2ccc(C(=O)O)cc2)sc1C(=O)c1cccnc1 ZINC000095920776 EF Annotated Anodyne O=c1cc(NC2CCCCC2)c(-c2nc[nH]n2)nn1-c1ccccc1 ZINC000095920871 EF Annotated Anodyne COC(=O)c1oc2cnccc2c1N[C@@H]1C=CC2=C(NO)C=CC2=C1 ZINC000095921298 EF Annotated Anodyne Cc1cc(C)n(-c2nc(Nc3ccccn3)cc(-n3cccn3)n2)n1 ZINC000095922000 EF Annotated Anodyne CC(C)c1ccc(/C=C/CC(=O)NC2CCN(C(N)=O)CC2)cc1 ZINC000095979326 EF Annotated Anodyne Cn1c(C(=O)Oc2c(F)cc(F)cc2Br)cccc1=O ZINC000096009744 EF Annotated Anodyne COC(=O)[C@]12C=C3CC(C)=C3C(=O)N1Cc1[nH]c3ccccc3c1C2 ZINC000096018507 EF Annotated Anodyne COC(=O)[C@@]12C=C3CC(C)=C3C(=O)N1Cc1[nH]c3ccccc3c1C2 ZINC000096018508 EF Annotated Anodyne CCOC(=O)CC[C@@H]1CC[C@]2(CCCN(Cc3ccncc3)C2)O1 ZINC000096018803 EF Annotated Anodyne CCOC(=O)CC[C@@H]1CC[C@]2(CCCN(Cc3cccnc3)C2)O1 ZINC000096018804 EF Annotated Anodyne CCOC(=O)CC[C@@H]1CC[C@]2(CCCN(Cc3ccccn3)C2)O1 ZINC000096018817 EF Annotated Anodyne CS(=O)(=O)O[C@@]12CCCN(C1)/C(=C/c1ccc(Cl)cc1)C2 ZINC000096018843 EF Annotated Anodyne N#CCC[C@@H]1CC[C@]2(CCCN(S(=O)(=O)C3CCCCC3)C2)O1 ZINC000096018982 EF Annotated Anodyne CCOC(=O)CC[C@@H]1CC[C@]2(CCCN(C(=O)c3cccnc3)C2)O1 ZINC000096018996 EF Annotated Anodyne N#CCC[C@@H]1CC[C@]2(CCCN(S(=O)(=O)c3ccccc3)C2)O1 ZINC000096018999 EF Annotated Anodyne CCOC(=O)CC[C@H]1CC[C@]2(CCCN(C(=O)c3cccnc3)C2)O1 ZINC000096019018 EF Annotated Anodyne CCCC(=O)N1CCC[C@]2(CC[C@@H](CCC(=O)N(CC)CC)O2)C1 ZINC000096019026 EF Annotated Anodyne CCOC(=O)CC[C@@H]1CC[C@]2(CCCN(C(=O)C(C)(C)C)C2)O1 ZINC000096019040 EF Annotated Anodyne CCOC(=O)CC[C@@H]1CC[C@]2(CCCN(C(=O)c3ccco3)C2)O1 ZINC000096019043 EF Annotated Anodyne CCOC(=O)CC[C@H]1CC[C@]2(CCCN(C(=O)C(C)(C)C)C2)O1 ZINC000096019049 EF Annotated Anodyne N#CCC[C@H]1CC[C@]2(CCCN(S(=O)(=O)c3ccccc3)C2)O1 ZINC000096019055 EF Annotated Anodyne CCOC(=O)CC[C@H]1CC[C@]2(CCCN(C(=O)c3ccco3)C2)O1 ZINC000096019061 EF Annotated Anodyne O=S1(=O)C[C@@H]2c3ccccc3CCN2CN1Cc1ccc(F)cc1 ZINC000096019126 EF Annotated Anodyne O=S1(=O)C[C@H]2c3ccccc3CCN2CN1Cc1ccc(F)cc1 ZINC000096019127 EF Annotated Anodyne Cc1ccc2c(c1)[C@@H]1CS(=O)(=O)N(Cc3ccccc3)C(=O)N1C2 ZINC000096019130 EF Annotated Anodyne Cc1ccc2c(c1)[C@H]1CS(=O)(=O)N(Cc3ccccc3)C(=O)N1C2 ZINC000096019131 EF Annotated Anodyne C[C@H]1CCCN1c1cccc2c1S(=O)(=O)N(C1CC1)CCCO2 ZINC000096019165 EF Annotated Anodyne C[C@@H]1CCCN1c1cccc2c1S(=O)(=O)N(C1CC1)CCCO2 ZINC000096019166 EF Annotated Anodyne C[C@H]1CCCN1c1ccc2c(c1)OCCCN(C1CC1)S2(=O)=O ZINC000096019206 EF Annotated Anodyne C[C@@H]1CCCN1c1ccc2c(c1)OCCCN(C1CC1)S2(=O)=O ZINC000096019207 EF Annotated Anodyne CN1Cc2nnn(CC3CCCCC3)c2-c2ccccc2S1(=O)=O ZINC000096019392 EF Annotated Anodyne Cc1ccc2c(c1)[C@@H]1CS(=O)(=O)N(CCc3ccccc3)CN1C2 ZINC000096020129 EF Annotated Anodyne Cc1ccc2c(c1)[C@H]1CS(=O)(=O)N(CCc3ccccc3)CN1C2 ZINC000096020130 EF Annotated Anodyne Cc1ccc2c(c1)[C@@H]1CS(=O)(=O)N(Cc3ccc(F)cc3)CN1C2 ZINC000096020131 EF Annotated Anodyne Cc1ccc2c(c1)[C@H]1CS(=O)(=O)N(Cc3ccc(F)cc3)CN1C2 ZINC000096020132 EF Annotated Anodyne Cc1ccc2c(c1)[C@@H]1CS(=O)(=O)N(Cc3ccccc3)CN1C2 ZINC000096020135 EF Annotated Anodyne Cc1ccc2c(c1)[C@H]1CS(=O)(=O)N(Cc3ccccc3)CN1C2 ZINC000096020136 EF Annotated Anodyne O=S1(=O)C[C@H]2c3ccc(F)cc3CN2CN1CCc1ccccc1 ZINC000096020143 EF Annotated Anodyne O=C1N2Cc3ccccc3[C@@H]2CS(=O)(=O)N1CCc1ccccc1 ZINC000096020204 EF Annotated Anodyne O=C1N2Cc3ccccc3[C@H]2CS(=O)(=O)N1CCc1ccccc1 ZINC000096020205 EF Annotated Anodyne O=C1N2Cc3ccccc3[C@@H]2CS(=O)(=O)N1Cc1ccccc1 ZINC000096020208 EF Annotated Anodyne O=C1N2Cc3ccccc3[C@H]2CS(=O)(=O)N1Cc1ccccc1 ZINC000096020209 EF Annotated Anodyne CC(C)C[C@@H]1COc2cccc(N3CCCC3)c2S(=O)(=O)N1C ZINC000096020517 EF Annotated Anodyne CC(C)C[C@@H]1COc2cc(N3CCCC3)ccc2S(=O)(=O)N1C ZINC000096020518 EF Annotated Anodyne CC(C)C[C@H]1COc2cccc(N3CCCC3)c2S(=O)(=O)N1C ZINC000096020521 EF Annotated Anodyne CC(C)C[C@H]1COc2cc(N3CCCC3)ccc2S(=O)(=O)N1C ZINC000096020522 EF Annotated Anodyne C=CCNc1cccc2c1S(=O)(=O)N[C@@H](Cc1ccccc1)CO2 ZINC000096021148 EF Annotated Anodyne C=CCNc1ccc2c(c1)OC[C@H](Cc1ccccc1)NS2(=O)=O ZINC000096021154 EF Annotated Anodyne C=CCNc1cccc2c1S(=O)(=O)N[C@H](Cc1ccccc1)CO2 ZINC000096021160 EF Annotated Anodyne CC(C)CNc1cccc2c1S(=O)(=O)N[C@@H](CC(C)C)CO2 ZINC000096021172 EF Annotated Anodyne CC(C)C[C@@H]1COc2cccc(N3CCCCC3)c2S(=O)(=O)N1 ZINC000096021175 EF Annotated Anodyne CC(C)CNc1cccc2c1S(=O)(=O)N[C@H](CC(C)C)CO2 ZINC000096021176 EF Annotated Anodyne CCCCNc1ccc2c(c1)OC[C@@H](CC(C)C)NS2(=O)=O ZINC000096021178 EF Annotated Anodyne CCCCNc1ccc2c(c1)OC[C@H](CC(C)C)NS2(=O)=O ZINC000096021180 EF Annotated Anodyne CC(C)C[C@H]1COc2cccc(N3CCCCC3)c2S(=O)(=O)N1 ZINC000096021184 EF Annotated Anodyne O=S1(=O)c2ccc(Br)cc2OCC[C@@H]2CCCCN21 ZINC000096021294 EF Annotated Anodyne O=S1(=O)c2ccc(Br)cc2OCC[C@H]2CCCCN21 ZINC000096021295 EF Annotated Anodyne Cn1cnc2c1[C@H](COCc1cccnc1)N(Cc1ccccn1)CC2 ZINC000096044169 EF Annotated Anodyne Cn1cnc2c1[C@@H](COCc1cccnc1)N(Cc1ccccn1)CC2 ZINC000096044170 EF Annotated Anodyne Cn1nnc2c1CCN(Cc1ccncc1)[C@H]2COCc1ccccc1 ZINC000096060536 EF Annotated Anodyne Cn1nnc2c1CCN(Cc1ccncc1)[C@@H]2COCc1ccccc1 ZINC000096060537 EF Annotated Anodyne Cc1cc(C(=O)N2C[C@@H]3CCCO[C@@H]3[C@H](N(C)C(C)C)C2)c(C)[nH]1 ZINC000096065169 EF Annotated Anodyne O=C(NCc1ccco1)[C@H]1C[C@@H]2CCN(c3cccc(F)c3)C[C@H]2O1 ZINC000096066118 EF Annotated Anodyne Cc1ccc(N2CC[C@H]3C[C@H](C(=O)NCc4ccco4)O[C@@H]3C2)cc1 ZINC000096066120 EF Annotated Anodyne Cc1ccc(NCc2cncc3c2CCN(Cc2ccccn2)C3)nn1 ZINC000096067453 EF Annotated Anodyne O=C(N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1)c1ccsc1 ZINC000096067653 EF Annotated Anodyne O=C(N[C@H]1CCc2c(ccc(=O)n2CC2CC2)C1)c1ccsc1 ZINC000096067654 EF Annotated Anodyne O=C(Cc1ccsc1)N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1 ZINC000096067669 EF Annotated Anodyne O=C(Cc1ccsc1)N[C@H]1CCc2c(ccc(=O)n2CC2CC2)C1 ZINC000096067670 EF Annotated Anodyne Cc1nc(Cn2c3c(ccc2=O)CCN(CC2CCC2)CC3)cs1 ZINC000096067793 EF Annotated Anodyne Cc1ccc(NCc2cn3c(n2)CN(Cc2ccc(C)o2)CC3)nn1 ZINC000096068067 EF Annotated Anodyne Cc1ccc(C(=O)N2C[C@@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)s1 ZINC000096070474 EF Annotated Anodyne O=C(c1ccccc1)N1CC[C@H]2C[C@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096070606 EF Annotated Anodyne Cc1csc([C@@H]2C[C@@H]3CCN(C(=O)c4cccn4C)C[C@H]3O2)n1 ZINC000096070688 EF Annotated Anodyne O=C(c1ccsc1)N1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 ZINC000096080748 EF Annotated Anodyne Cc1noc(C)c1CN1CCO[C@H]2CN(Cc3cccc(F)c3)C[C@H]21 ZINC000096081729 EF Annotated Anodyne c1ccc(NC[C@@H]2CCC[C@@H]3CN(Cc4csnn4)C[C@@H]32)nc1 ZINC000096081930 EF Annotated Anodyne Cc1nc(-c2ccccc2)nc2c1CCN(Cc1nccn1C)CC2 ZINC000096083790 EF Annotated Anodyne CCc1ccc(NC(=O)N2Cc3c(CN(C)C)nn(C)c3C2)cc1 ZINC000096084457 EF Annotated Anodyne O=C1OC[C@@]23C1=C[C@H]1C[C@@]24C=CC2=C([C@@H](c5ccoc5)OC2=O)[C@]43C1 ZINC000096085508 EF Annotated Anodyne in-vitro N=C(N)NCCCc1nccc2c1[nH]c1cc(Br)ccc12 ZINC000096086174 EF Annotated Anodyne Cc1nc(COCc2nc3c(o2)CN(C(=O)c2ccc[nH]2)C3)cs1 ZINC000096086739 EF Annotated Anodyne Cc1noc(C)c1CN1CCc2c(CNc3nccs3)n[nH]c2C1 ZINC000096090960 EF Annotated Anodyne C[C@H]1CN(C(=O)c2ccc[nH]2)C[C@@]12CCN(c1ccsc1)C2=O ZINC000096100618 EF Annotated Anodyne c1cncc(COC[C@H]2CC[C@H]3[C@@H]2OCCN3Cc2ccoc2)c1 ZINC000096111204 EF Annotated Anodyne F[C@@H]1CN(Cc2cccnc2)C[C@@H]1OCc1nc2ccccc2[nH]1 ZINC000096112173 EF Annotated Anodyne O=C1CN(Cc2ccccc2)C(=O)[C@H]1SCCc1ccccc1 ZINC000096142701 EF Annotated Anodyne Cn1nnc2cc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)ccc21 ZINC000096169407 EF Annotated Anodyne Cn1nnc2cc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)ccc21 ZINC000096169408 EF Annotated Anodyne O=C1CC(=O)N(c2ccc3[nH]cnc3c2)[C@H]1c1cccc(F)c1F ZINC000096172353 EF Annotated Anodyne COc1cnc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)nc1 ZINC000096172910 EF Annotated Anodyne c1cc(N[C@H]2CCNC2)c2nc(-c3nnc4ccccn34)ccc2c1 ZINC000096174948 EF Annotated Anodyne c1cc(N[C@@H]2CCNC2)c2nc(-c3nnc4ccccn34)ccc2c1 ZINC000096174949 EF Annotated Anodyne c1cc(O[C@@H]2CCNC2)c2nc(-c3nnc4ccccn34)ccc2c1 ZINC000096174955 EF Annotated Anodyne c1cc(O[C@H]2CCNC2)c2nc(-c3nnc4ccccn34)ccc2c1 ZINC000096174956 EF Annotated Anodyne FC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CNC1 ZINC000096175099 EF Annotated Anodyne N#Cc1ccc(F)c(C(=O)Nc2cncc(Oc3cncnc3)c2)c1 ZINC000096175658 EF Annotated Mild COc1nccc2c1C(c1cc(C(=O)N(C)C)n(C(C)C)c1)=NC2 ZINC000096175979 EF Annotated Anodyne c1cc2c(c(OC3CCOCC3)n1)C(c1ccc3cn[nH]c3c1)=NC2 ZINC000096176027 EF Annotated Anodyne c1cc2c(c(OC3CCOCC3)n1)C(c1ccc3[nH]cnc3c1)=NC2 ZINC000096176028 EF Annotated Anodyne Cn1ncc2cc(C3=NCc4ccnc(OC5CCOCC5)c43)ccc21 ZINC000096176029 EF Annotated Anodyne Cn1cnc2cc(C3=NCc4ccnc(OC5CCOCC5)c43)ccc21 ZINC000096176032 EF Annotated Anodyne CC(C)n1cc(NC2=NCc3ccnc(OC4CCOCC4)c32)cn1 ZINC000096176048 EF Annotated Anodyne COc1ccc(C(/C=C/c2ccccc2)=N/NCSN)c(O)c1 ZINC000096177310 EF Annotated Mild O=C(Cn1cncn1)Nc1cccc(-c2cnc3ccccc3n2)c1 ZINC000096178000 EF Annotated Anodyne Cc1csc(CC(=O)c2cc(N(C)c3cncnc3)ccn2)n1 ZINC000096178162 EF Annotated Anodyne O=C(Cc1ncc(F)cc1F)c1cc(Oc2cncnc2)ccn1 ZINC000096178178 EF Annotated Anodyne Cc1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)sc1F ZINC000096178187 EF Annotated Anodyne Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCC(=O)N3c2ccccc2)n1 ZINC000096186431 EF Annotated Anodyne COC[C@@H]1CN(C(=O)C2=CCCCC2)Cc2cnn(CC3CC3)c21 ZINC000096198391 EF Annotated Anodyne COC[C@H]1CN(C(=O)C2=CCCCC2)Cc2cnn(CC3CC3)c21 ZINC000096198392 EF Annotated Anodyne c1cncc(OCc2nnn3c2CN(Cc2ccsc2)CCC3)c1 ZINC000096259001 EF Annotated Anodyne Cn1nccc1-c1ccc2nc(C3CCN(CC4CC4)CC3)nn2c1 ZINC000096260724 EF Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)NO ZINC000096269505 EF Annotated Bother Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)NO ZINC000096269506 EF Annotated Bother CC(C)c1ccc(OCC(=O)Nc2ccc(N(C)CCO)nc2)cc1 ZINC000096270027 EF Annotated Anodyne O=c1cc(O)n(-c2cccc(C(F)(F)F)c2)c(=O)n1C1CCCC1 ZINC000096270113 EF Annotated Anodyne O=c1cc(O)n([C@H]2CCCc3ccccc32)c(=O)n1C1CCCC1 ZINC000096270118 EF Annotated Anodyne O=c1cc(O)n([C@@H]2CCCc3ccccc32)c(=O)n1C1CCCC1 ZINC000096270119 EF Annotated Anodyne CC(=O)Nc1nc(CCc2ccc(Cc3c[nH]c(N)n3)cc2)cs1 ZINC000096271638 EF Annotated Anodyne CC(C)S(=O)(=O)N1CCc2nc(C#Cc3ccccc3)sc2C1 ZINC000096273001 EF Annotated Mild O=S1(=O)N=C(NC23CC4CC(CC(C4)C2)C3)O[C@H]2CCCC[C@H]21 ZINC000096273945 EF Annotated Anodyne O=c1[nH]c(=S)[nH]c2nc(C(c3ccccc3)c3ccccc3)nn12 ZINC000096282940 EF Annotated Anodyne O=S(=O)(Cc1nnc(-c2ccc3nc[nH]c3c2)o1)c1ccccc1 ZINC000096282997 EF Annotated Anodyne O=C(N1C[C@@H]2CN(c3ccccn3)C[C@@H]2C1)N1CCC2(CCCC2)C1 ZINC000096283264 EF Annotated Anodyne O=C(CCc1ccc(Cl)cc1Cl)/N=c1\[nH]nc2n1CCS2 ZINC000096283744 EF Annotated Anodyne O=C(CCc1c(Cl)cccc1Cl)/N=c1\[nH]nc2n1CCS2 ZINC000096283746 EF Annotated Anodyne N[C@H]1C[C@@H](N2Cc3ccccc3O2)CO[C@@H]1c1cc(F)ccc1F ZINC000096284069 EF Annotated Anodyne N[C@H]1C[C@@H](N2Cc3ccccc3C2=O)CO[C@@H]1c1cc(F)ccc1F ZINC000096284070 EF Annotated Anodyne Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc([S@](C)=O)cc1 ZINC000096285984 EF Annotated Anodyne Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc([S@@](C)=O)cc1 ZINC000096285985 EF Annotated Anodyne C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)[C@@H]3CCCO3)cc2)C1 ZINC000096286317 EF Annotated Anodyne C[C@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)[C@@H]3CCCO3)cc2)C1 ZINC000096286318 EF Annotated Anodyne CCOC(=O)c1sc2nc(N)c(C#N)c(C(=O)C(C)(C)C)c2c1N ZINC000096336612 EF Annotated Mild C=CC/N=C1\N[C@@H](CCc2ccccc2)C(C(=O)OC)=C(C)N1CC ZINC000096900173 EF Annotated Mild O=C(Nc1ccc(F)cc1)C1=C(O)[C@H](CCc2ccccc2)NC1=O ZINC000096900944 EF Annotated Anodyne CC(C)[C@@H](CCl)N(C)[C@H]1[C@H](O)C(C)(C)O[C@H]2C=CC(C#N)=C[C@@H]21 ZINC000096902514 EF Annotated Reactive CC(C)[C@@H](CCl)N(C)[C@H]1[C@H](O)C(C)(C)O[C@@H]2C=CC(C#N)=C[C@@H]21 ZINC000096902515 EF Annotated Reactive C=C1C(=O)O[C@H]2C(=O)/C(C)=C/CC/C(C)=C/CC[C@@]3(C=O)O[C@@H]3C[C@H]12 ZINC000096903169 EF Annotated Mild CO[C@@]12CC[C@]3(C)[C@@]45CCC[C@@](C)(C(=O)O4)[C@H]5CC[C@]3(C1)C(=O)C2=O ZINC000096903170 EF Annotated Clean CO[C@@H](c1ccc(O)cc1)[C@H]1CO[C@@H](c2ccc(O)cc2)[C@@H]1CO ZINC000096903561 EF Annotated Anodyne CO[C@H](c1ccc(O)cc1)[C@H]1CO[C@@H](c2ccc(O)cc2)[C@@H]1CO ZINC000096903562 EF Annotated Anodyne C=C1C(=O)O[C@H]2C(=O)/C(C)=C/CC/C(C)=C/CC[C@@]3(CO)O[C@@H]3C[C@H]12 ZINC000096903763 EF Annotated Mild Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3N3CCCCC3)ccc12 ZINC000096905475 EF Annotated Anodyne Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3N3CCCCC3)ccc12 ZINC000096905476 EF Annotated Anodyne Cn1c(N)nc(CCc2cccc(CCc3ccccc3)c2)cc1=O ZINC000096906570 EF Annotated Anodyne Cn1c(N)nc([C@H]2C[C@H]2c2cccc(-c3cccc(N)c3)c2)cc1=O ZINC000096907166 EF Annotated Anodyne O=c1[nH]nc2c(NCCCc3ccnc(Cl)c3)cc(Cl)cn12 ZINC000096907519 EF Annotated Anodyne COc1cccc(CCCNc2cc(Cl)cn3c(=O)[nH]nc23)c1 ZINC000096907521 EF Annotated Anodyne COc1cc(N)c(C2=NN(C(=O)c3ccccc3)CC2)cc1OC ZINC000096907955 EF Annotated Anodyne CC(=O)O[C@]12c3ccccc3-c3ccccc3[C@@H]1[C@@H]1C(=O)OC(=O)[C@@H]12 ZINC000096908262 EF Annotated Reactive CC1=CCC[C@@H]2[C@@](C=O)(C1)C[C@@H](C)[C@]2(CO)CC/C(=C/CO)CO ZINC000096908268 EF Annotated Mild CC1=CCC[C@@H]2[C@](C=O)(C1)C[C@@H](C)[C@]2(CO)CC/C(=C/CO)CO ZINC000096908269 EF Annotated Mild CCOC(=O)c1cn(C[C@@H]2CO2)c2cc(C(F)(F)F)ccc2c1=O ZINC000096909067 EF Annotated Anodyne CCOC(=O)c1cn(C[C@H]2CO2)c2cc(C(F)(F)F)ccc2c1=O ZINC000096909068 EF Annotated Anodyne CCOC(=O)c1cn(C[C@@H]2CO2)c2c(Cl)cc(Cl)cc2c1=O ZINC000096909267 EF Annotated Anodyne CCOC(=O)c1cn(C[C@H]2CO2)c2c(Cl)cc(Cl)cc2c1=O ZINC000096909268 EF Annotated Anodyne C[C@@H]1CC(=O)[C@H]2CC(CO)=CCC[C@H]2[C@@]1(C)CC/C(=C/CO)CO ZINC000096909428 EF Annotated Anodyne OCc1cc2ccc3c(c2c(-c2ccc(O)c(O)c2)c1CO)OCO3 ZINC000096909444 EF Annotated Clean O=C1OC2(CCCCC2)c2ccn(C[C@@H](O)c3ccccc3)c(=O)c21 ZINC000096909523 EF Annotated Anodyne O=C1OC2(CCCCC2)c2ccn(C[C@H](O)c3ccccc3)c(=O)c21 ZINC000096909524 EF Annotated Anodyne COc1ccccc1N/N=C1/C(=O)c2cccc([N+](=O)[O-])c2N=C1O ZINC000096910594 EF Annotated Mild O=C1/C(=N/Nc2ccc(F)cc2)C(O)=Nc2c1cccc2[N+](=O)[O-] ZINC000096910611 EF Annotated Mild COc1ccc(N/N=C2/C(=O)c3cccc([N+](=O)[O-])c3N=C2O)cc1 ZINC000096910619 EF Annotated Mild O=C1/C(=N/Nc2ccc(F)cc2)C(O)=Nc2cc([N+](=O)[O-])ccc21 ZINC000096910642 EF Annotated Mild CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCCCC3)[C@@H]2CC1 ZINC000096910780 EF Annotated Anodyne N#Cc1ccc(CC(=O)c2nn3c(c2C(F)(F)F)CCCC3)nc1 ZINC000096911178 EF Annotated Mild O=c1c2cnn(Cc3ccccc3)c2ncn1/N=C/c1ccccc1 ZINC000096913354 EF Annotated Mild O=C1OCC(OCCOC(=O)c2ccccc2O)=C1c1ccccc1 ZINC000096914278 EF Annotated Anodyne O=C1OCC(OCCOC(=O)c2ccc(O)cc2)=C1c1ccccc1 ZINC000096914287 EF Annotated Anodyne CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2C)cc(Cl)c1O ZINC000096914307 EF Annotated Mild COc1cncc(-c2cccc(-c3nc4c(C(N)=O)cccn4n3)c2)c1 ZINC000096916088 EF Annotated Anodyne COc1cncc(-c2cncc(-c3cn4cccc(C(N)=O)c4n3)c2)c1 ZINC000096916092 EF Annotated Anodyne O=S(=O)(/C=C/c1ccc(O)c(O)c1)NCc1ccc(Cl)cc1 ZINC000096917382 EF Annotated Clean O=C1C(=O)c2c(nc3ncnn3c2-c2cccs2)-c2ccccc21 ZINC000096917420 EF Annotated Clean O=C1C(=O)c2c(nc3ncnn3c2-c2ccccc2)-c2ccccc21 ZINC000096917767 EF Annotated Clean O=C1C(=O)c2c(nc3ncnn3c2-c2ccc(F)cc2)-c2ccccc21 ZINC000096917772 EF Annotated Clean COc1c(O)c(C)c(O)c2c(=O)c3c(oc12)[C@H](O)Oc1ccccc1-3 ZINC000096917845 EF Annotated Anodyne COc1c(O)c(C)c(O)c2c(=O)c3c(oc12)[C@@H](O)Oc1ccccc1-3 ZINC000096917847 EF Annotated Anodyne CN(C)CCNC(=O)c1cc2c3ncccc3n(C)c2c2cccnc12 ZINC000096921183 EF Annotated Bother CN(C)CCNC(=O)c1cc2c3cnccc3n(C)c2c2cccnc12 ZINC000096921184 EF Annotated Bother CN(C)CCNC(=O)c1cc2c3ccncc3n(C)c2c2cccnc12 ZINC000096921185 EF Annotated Bother CNCCNC(=O)c1cc2c3ccccc3n(C)c2c2cccnc12 ZINC000096921193 EF Annotated Bother COc1nc(N(C)C)nc(CCCCCCCCCCO)c1O ZINC000096921434 EF Annotated Anodyne O=C(c1ccccc1)c1[nH]c2nc[nH]c(=O)c2c1-c1cccc(O)c1 ZINC000096921742 EF Annotated Anodyne O=C(c1ccc(O)cc1)c1[nH]c2nc[nH]c(=O)c2c1-c1ccccc1 ZINC000096921751 EF Annotated Anodyne O=C(c1ccc(O)cc1)c1[nH]c2nc[nH]c(=O)c2c1-c1ccc(O)cc1 ZINC000096921754 EF Annotated Anodyne Cc1ccc(N2CCN(Cc3oc(CCl)cc(=O)c3O)CC2)cc1 ZINC000096922702 EF Annotated Reactive O=c1cc(CCl)oc(CN2CCN(C3CCCCC3)CC2)c1O ZINC000096922711 EF Annotated Reactive Cc1c(C(=O)NN=C2CCCCC2)[n+]([O-])cn1Cc1ccccc1 ZINC000096922804 EF Annotated Reactive C/C(=N\NC(=O)c1c(C)n(Cc2ccccc2)c[n+]1[O-])c1ccccc1 ZINC000096922805 EF Annotated Reactive COc1ccc(C(=O)c2cc(F)c(F)c(OC)c2F)c(O)c1O ZINC000096927040 EF Annotated Clean COc1ccc(C(=O)c2cc(F)c(F)c(OC)c2F)c(OC)c1N ZINC000096927046 EF Annotated Anodyne O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1CCN1CCCCC1 ZINC000096928637 EF Annotated Bother O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1CCN1CCCCC1 ZINC000096928638 EF Annotated Bother CCC(CC)c1nn(CCO)c2c1N=C(c1ccccc1)CNC2=O ZINC000096928705 EF Annotated Anodyne COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000096929410 EF Annotated Clean O=c1[nH]nc2n1-c1ccc(OCc3ccccc3F)cc1SC2 ZINC000096929624 EF Annotated Anodyne O=c1[nH]nc2n1-c1ccc(OCc3cccc(F)c3)cc1SC2 ZINC000096929625 EF Annotated Anodyne COc1cc(-c2cccc(=O)n2-c2ccncc2)cc(OC)c1OC ZINC000096929954 EF Annotated Anodyne COc1cc(-n2c(-c3ccncc3)cccc2=O)cc(OC)c1OC ZINC000096930128 EF Annotated Anodyne CC[S@@](=O)C(=O)N(CCCC[S@](C)=O)Cc1ccccc1 ZINC000096931514 EF Annotated Anodyne CC[S@](=O)C(=O)N(CCCC[S@](C)=O)Cc1ccccc1 ZINC000096931516 EF Annotated Anodyne CC[S@@](=O)C(=O)N(CCCC[S@@](C)=O)Cc1ccccc1 ZINC000096931518 EF Annotated Anodyne CC[S@](=O)C(=O)N(CCCC[S@@](C)=O)Cc1ccccc1 ZINC000096931520 EF Annotated Anodyne COc1cc([C@H]2NC(=O)Nc3c2c(=O)oc2ccccc32)ccc1O ZINC000096931701 EF Annotated Anodyne COc1cc([C@@H]2NC(=O)Nc3c2c(=O)oc2ccccc32)ccc1O ZINC000096931703 EF Annotated Anodyne N#Cc1c(-c2ccc(Br)cc2)nc(S)n2cnnc12 ZINC000096932369 EF Annotated Mild N#Cc1c(-c2ccc(Br)cc2)nc(S)n2ncnc12 ZINC000096932758 EF Annotated Mild CC1(CCNC(=O)c2ccc(C#Cc3cccc(F)c3)cn2)COC1 ZINC000096933565 EF Annotated Mild C[C@@H](NC(=O)c1ccc(C#Cc2ccccc2F)cn1)C(C)(C)O ZINC000096933582 EF Annotated Mild C[C@@H](NC(=O)c1ccc(C#Cc2cccc(F)c2)cn1)C(C)(C)O ZINC000096933583 EF Annotated Mild C[C@@H](NC(=O)c1ccc(C#Cc2ccc(F)cc2)cn1)C(C)(C)O ZINC000096933584 EF Annotated Mild C[C@@H](NC(=O)c1ccc(C#Cc2cc(F)cc(F)c2)cn1)C(C)(C)O ZINC000096933585 EF Annotated Mild C[C@@H](NC(=O)c1ccc(C#Cc2ccc(F)cc2F)cn1)C(C)(C)O ZINC000096933586 EF Annotated Mild Cc1nc(C#Cc2cccc(F)c2)ccc1C(=O)N[C@H](C)C(C)(C)O ZINC000096933598 EF Annotated Mild CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(/O)c2ccc(C#N)cc2)cc1 ZINC000096933736 EF Annotated Anodyne COc1ccc(/C(O)=C(/C=C(C#N)C#N)[n+]2ccc(N(C)C)cc2)cc1 ZINC000096933738 EF Annotated Anodyne COc1ccc(/C(O)=C(/C=C(C#N)C#N)[n+]2ccc(OC)cc2)cc1 ZINC000096933747 EF Annotated Anodyne N#Cc1ccccc1COc1ccc2c(c1)SCc1n[nH]c(=O)n1-2 ZINC000096933888 EF Annotated Mild CCN1CCN(CCCSc2nc(-c3ccc(C)cc3)n[nH]2)CC1 ZINC000096934121 EF Annotated Anodyne O=C(/C=C1\NC[C@@H]2c3ccccc3CCN2C1=O)c1cccc(F)c1 ZINC000096934347 EF Annotated Mild O=C(/C=C1\NC[C@H]2c3ccccc3CCN2C1=O)c1cccc(F)c1 ZINC000096934348 EF Annotated Mild O=C(/C=C1\NC[C@@H]2c3ccccc3CCN2C1=O)c1ccccc1F ZINC000096934373 EF Annotated Mild O=C(/C=C1\NC[C@H]2c3ccccc3CCN2C1=O)c1ccccc1F ZINC000096934374 EF Annotated Mild CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1cnccn1 ZINC000096934710 EF Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1cnccn1 ZINC000096934711 EF Annotated Clean CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1cncnc1 ZINC000096934712 EF Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1cncnc1 ZINC000096934713 EF Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1cncnc1 ZINC000096934714 EF Annotated Clean COc1ccc([C@@H]2OC(c3ccc(C)nc3)=NN2C(C)=O)c(OC)c1 ZINC000096935263 EF Annotated Anodyne COc1ccc([C@H]2OC(c3ccc(C)nc3)=NN2C(C)=O)c(OC)c1 ZINC000096935264 EF Annotated Anodyne CC(=O)N1N=C(c2ccc(C)nc2)O[C@]1(C)c1ccc([N+](=O)[O-])cc1 ZINC000096935265 EF Annotated Bother CC(=O)N1N=C(c2ccc(C)nc2)O[C@@]1(C)c1ccc([N+](=O)[O-])cc1 ZINC000096935266 EF Annotated Bother COc1cc2c(cc1OC)[C@@]1(C)OC(c3ccco3)=CC(=O)N1CC2 ZINC000096935341 EF Annotated Anodyne COc1cc2c(cc1OC)[C@]1(C)OC(c3ccco3)=CC(=O)N1CC2 ZINC000096935342 EF Annotated Anodyne CN1CCN(c2cc(/C=C/CO)nc3cc(F)c(Cl)cc23)CC1 ZINC000096935459 EF Annotated Anodyne C/C(=N\NC(=O)c1cccc2ccccc12)c1c(C(=O)O)noc1C ZINC000096935535 EF Annotated Reactive COc1cc2nc(/C=C/CO)cc(N3CCOCC3)c2cc1Cl ZINC000096937471 EF Annotated Anodyne CNC1=NC[C@]2(S1)c1ccccc1N(C(=O)OC(C)(C)C)[C@@H]2OC ZINC000096938418 EF Annotated Anodyne CNC1=NC[C@]2(S1)c1ccccc1N(C(=O)OC(C)(C)C)[C@H]2OC ZINC000096938419 EF Annotated Anodyne Cc1ccc(C(=O)N2N=C3CCCC[C@@H]3[C@@]2(O)C(F)(F)F)cn1 ZINC000096938684 EF Annotated Anodyne O=[N+]([O-])c1ncn(CCCNc2nc3ccc(Cl)cc3s2)n1 ZINC000096938749 EF Annotated Bother CC(C)=CCN1C(=O)N(Cc2ccccc2)S(=O)(=O)n2cccc21 ZINC000096938769 EF Annotated Anodyne COc1cccc(CCCCCCc2cccc(OC)[n+]2C)[n+]1C ZINC000096938822 EF Annotated Anodyne O=C(O)c1ccccc1S[C@H]1CC[C@H]2CN[C@H](C(=O)O)C[C@H]2C1 ZINC000096939182 EF Annotated Anodyne Cn1cc(C(=O)Nc2ccc(Br)cn2)c(C(F)(F)F)n1 ZINC000097026368 EF 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@H](C)[C@H]12 ZINC000097528399 EF Annotated Mild CN(CCc1ccccc1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O ZINC000097730299 EF Annotated Anodyne CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1cccc(N)c1)[C@H](C)N2 ZINC000098068164 EF Annotated Anodyne COc1cc(-c2nnc3nnc4c5ccccc5[nH]c4n23)ccc1O ZINC000098081963 EF Annotated Bother COc1ccc(F)cc1-c1cccc(-c2nn(CCCN)c(=O)o2)c1 ZINC000098082223 EF Annotated Anodyne O=C1N/C(=N\c2nccs2)S/C1=C\[C@H]1C(=O)Nc2ccccc21 ZINC000098082405 EF Annotated Mild CS(=O)(=O)Nc1ccc(C2=NN(c3ccccc3)C(=O)CC2)cc1 ZINC000098082540 EF Annotated Anodyne N#Cc1c(N2CCCC2=O)c(C(=O)Nc2ccccc2)n2c1CCC2 ZINC000098082789 EF Annotated Mild Cc1ccc(NC(=O)c2c(N3CCCC3=O)c(C#N)c3n2CCC3)cc1 ZINC000098082790 EF Annotated Mild CCCN(CC)C(=O)c1cn(C)nc1OCc1cccc(C#N)c1 ZINC000098083044 EF Annotated Mild CS(=O)(=O)c1ccc([C@@H]2COC(c3c(F)cccc3F)=N2)cc1 ZINC000098083263 EF Annotated Anodyne CS(=O)(=O)c1ccc([C@H]2COC(c3c(F)cccc3F)=N2)cc1 ZINC000098083264 EF Annotated Anodyne O=C(c1ccc[n+](Cc2ccccc2)c1)N(CCCl)CCCl ZINC000098083342 EF Annotated Reactive CNC(=O)c1ccc(NCc2cnc3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000098083398 EF Annotated Bother O=[N+]([O-])c1cccc(-c2nnc3nnc4c5ccccc5[nH]c4n23)c1 ZINC000098083611 EF Annotated Bother O=[N+]([O-])c1ccc(-c2nnc3nnc4c5ccccc5[nH]c4n23)cc1 ZINC000098083612 EF Annotated Bother O=[N+]([O-])c1ccccc1-c1nnc2nnc3c4ccccc4[nH]c3n12 ZINC000098083614 EF Annotated Bother COc1ccc(OC)c(-c2nnc3nnc4c5ccccc5[nH]c4n23)c1 ZINC000098083616 EF Annotated Bother Cc1cc(C)nc(-n2nc(N)c(/N=N/c3ccc(F)cc3)c2N)n1 ZINC000098084150 EF Annotated Clean C[C@H]1O[C@H](c2ccc(S(C)(=O)=O)cc2)N(Cc2ccccc2)C1=O ZINC000098084305 EF Annotated Anodyne COc1ccc(-c2nnc3nnc4c5ccccc5[nH]c4n23)cc1OC ZINC000098085376 EF Annotated Bother Cc1c(O)c(Br)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000098085542 EF Annotated Clean COc1cc(CC(=O)c2ccc(C#N)cc2)c([N+](=O)[O-])cc1OC ZINC000098208348 EF Annotated Mild CN1CCC(N(C)c2nc(N(C)CCC#N)c3sccc3n2)CC1 ZINC000098208548 EF Annotated Mild