Cc1nn(Cc2ccc(C(=O)N/N=C/c3ccncc3)o2)c(C)c1Cl ZINC000001002088 FF Annotated Reactive CN1CCCN(C(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)CC1 ZINC000001009840 FF Annotated Anodyne CCC(=O)NNC(=O)c1cc(COc2cc(Cl)cc(Cl)c2)on1 ZINC000001047345 FF Annotated Reactive COCc1cc(OC(=O)N(C)C)nc(COc2ccc(Cl)cc2)n1 ZINC000001047373 FF Annotated Anodyne Cc1ccc(-c2cn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)nc2N)cc1 ZINC000001067533 FF Annotated Bother Cc1ccc(-c2cn(S(=O)(=O)c3cccc4nsnc34)nc2N)cc1 ZINC000001068472 FF Annotated Anodyne aggregator N#Cc1cccc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3)nc2N)c1 ZINC000001070594 FF Annotated Mild aggregator COc1ccc2[nH]c(C)c(CCN3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@H]4C3=O)c2c1 ZINC000001072813 FF Annotated Anodyne CCOc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OCC ZINC000001080301 FF Annotated Anodyne CCOc1ccc(S(=O)(=O)n2cc(-c3ccc(F)cc3)c(N)n2)cc1 ZINC000001123502 FF Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)Oc1ccc2ccccc2c1 ZINC000001142970 FF Annotated Anodyne COc1ccccc1N1C(=O)N(C(C)=O)[C@@H]2[C@H]1Nc1ccccc1N2C ZINC000001214473 FF Annotated Anodyne COc1cccc(-c2nnn(CC(=O)Nc3ccc(C)cc3C)n2)c1OC ZINC000001330311 FF Annotated Anodyne CCNC(=S)N1CCN(c2nc(-c3cccc(OC)c3)cs2)CC1 ZINC000001349965 FF Annotated Anodyne Cc1nc(NC(=O)CSc2nnnn2Cc2ccccc2)sc1C ZINC000001353839 FF Annotated Anodyne Cc1nc(NC(=O)CSc2nnc(C)n2C[C@H]2CCCO2)sc1C ZINC000001355816 FF Annotated Anodyne Cc1nc(NC(=O)CSc2nnc(C)n2C[C@@H]2CCCO2)sc1C ZINC000001355819 FF Annotated Anodyne CCOc1ccc2c(c1)cc(CN(C(C)=O)C1CCCC1)c1nnnn12 ZINC000001367241 FF Annotated Anodyne COCC(=O)N(Cc1cc2ccc(C)c(C)c2n2nnnc12)C1CCCC1 ZINC000001367383 FF Annotated Anodyne CCC(=O)N(CC(=O)Nc1sc(C)c(C)c1C(N)=O)C1CCCC1 ZINC000001368363 FF Annotated Anodyne Cc1ccc(CN(CC(=O)NC2CCCCC2)C(=O)c2csnn2)cc1 ZINC000001378441 FF Annotated Anodyne CCc1nnc(NC(=O)[C@H]2CCCN2C(=O)NC2CCCCC2)s1 ZINC000001379660 FF Annotated Anodyne CCc1nnc(NC(=O)[C@@H]2CCCN2C(=O)NC2CCCCC2)s1 ZINC000001379661 FF Annotated Anodyne NC(=O)N/N=C/c1ccccc1OC(=O)c1ccccc1Br ZINC000001464832 FF Annotated Reactive Cc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2ccccc2)o1 ZINC000001480294 FF Annotated Anodyne Cc1nc2c(n1-c1ccc(Br)cc1)C(=O)c1nccnc1C2=O ZINC000001489699 FF Annotated Clean CC(C)CCc1nc(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000001491305 FF Annotated Anodyne CC1(C)C(=O)c2ccc(Br)cc2[C@]2(c3cccc[n+]3[O-])O[C@@H]12 ZINC000100022178 FF Annotated Anodyne CC1(C)C(=O)c2ccc(Br)cc2[C@@]2(c3cccc[n+]3[O-])O[C@H]12 ZINC000100022180 FF Annotated Anodyne C[C@H]1C[C@H]2O[C@H]2/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 ZINC000100031525 FF Annotated Mild CCOC(=O)C(/C=N/c1cc(C)nc(-c2ccncc2)n1)=C(/O)OCC ZINC000100053328 FF Annotated Mild CSc1ccc2c(c1)c(O)c(C(=O)N(C)c1ccccn1)c(=O)n2C ZINC000100054295 FF Annotated Anodyne C/C=C/C[C@H](C)C[C@H](C)C(=O)C1=C(O)[C@H]([C@H](O)c2ccc(O)cc2)NC1=O ZINC000100066888 FF Annotated Mild C=C1[C@H]2CC[C@@]3([C@H]4C[C@H]5[C@@]6(CCC[C@@]5(C)CN(CCO)[C@H]6O4)[C@@H]3C2)[C@@H]1O ZINC000100071363 FF Annotated Mild in-vitro CC(C)NC(=O)N1[C@@H]2CN(C)C[C@H]1[C@@H]2c1ccc(Br)cc1 ZINC000100082929 FF Annotated Anodyne CC(C)NC(=O)N1C[C@@H]2[C@@H](c3ccc(Br)cc3)[C@H](C1)N2C ZINC000100085326 FF Annotated Anodyne CN1[C@@H]2CN(S(C)(=O)=O)C[C@H]1[C@H]2c1ccc(-c2ccc(F)cc2)cc1 ZINC000100086310 FF Annotated Anodyne CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccc(Br)cc3)[C@H](C1)N2C ZINC000100086884 FF Annotated Anodyne NC(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1 ZINC000100087468 FF Annotated Anodyne NC(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1 ZINC000100087474 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2cccc(F)c2)cc1 ZINC000100093122 FF Annotated Anodyne CCCCCCc1c(O)n(-c2ccccc2)c(SCC(N)=O)nc1=O ZINC000100093495 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)Cc2ccccc2)cc1 ZINC000100093620 FF Annotated Anodyne O=C(Cc1ccncc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccncc2)cc1 ZINC000100101440 FF Annotated Anodyne O=C(Cc1ccncc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccncc2)cc1 ZINC000100101444 FF Annotated Anodyne O=C(c1ccncc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cccnc2)cc1 ZINC000100101583 FF Annotated Anodyne O=C(c1cccnc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccnc2)cc1 ZINC000100101793 FF Annotated Anodyne Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccccc3O)C2=O)cc1C ZINC000100101826 FF Annotated Clean C/C=C/c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]2N3)cc1 ZINC000100106341 FF Annotated Anodyne O=C(c1ccc(F)cc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cncnc2)cc1 ZINC000100106702 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccc(F)cc4)C[C@@H]2N3)cc1 ZINC000100106741 FF Annotated Anodyne O=C(c1ccncc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccncc2)cc1 ZINC000100107012 FF Annotated Anodyne CN(C)CC(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100107719 FF Annotated Anodyne CN(C)CC(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100107721 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccccc4F)C[C@@H]2N3)cc1 ZINC000100109019 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2cccc(F)c2)cc1 ZINC000100109253 FF Annotated Anodyne N#Cc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cncnc3)cc2)c1 ZINC000100109377 FF Annotated Mild C[C@]12CCC[C@@H](O1)c1c(cc3c(c1O)C(=O)c1c(O)cc(O)cc1C3=O)O2 ZINC000100194620 FF Annotated Clean in-vitro C/C=C1/CN2[C@H]3C[C@H]1[C@@](C=O)(C(=O)OC)[C@@H]2C[C@@H]1C3=Nc2ccccc21 ZINC000100199114 FF Annotated Mild in-vitro C/C=C1/CN2[C@H]3C[C@H]1[C@](C=O)(C(=O)OC)[C@@H]2C[C@@H]1C3=Nc2ccccc21 ZINC000100199121 FF Annotated Mild in-vitro CCCCOC(=O)[C@H]1C(C)=Nc2ncnn2[C@H]1c1cccc(OC)c1OC ZINC000100251625 FF Annotated Anodyne CCCCOC(=O)[C@@H]1C(C)=Nc2ncnn2[C@H]1c1cccc(OC)c1OC ZINC000100251627 FF Annotated Anodyne CCCCOC(=O)[C@H]1C(C)=Nc2ncnn2[C@@H]1c1cccc(OC)c1OC ZINC000100251630 FF Annotated Anodyne CCCCOC(=O)[C@@H]1C(C)=Nc2ncnn2[C@@H]1c1cccc(OC)c1OC ZINC000100251633 FF Annotated Anodyne OC[C@@H]1[C@H]2c3ccccc3O[C@@]1(CO)N=C1SCc3ccccc3CN12 ZINC000100264201 FF Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C=CC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@H]34 ZINC000100267387 FF Annotated Bother COC(=O)[C@@H]1C[C@@]23C=CC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@@]15[C@H]2C)[C@H]34 ZINC000100267390 FF Annotated Bother CC[C@@H]1[C@@H]2CC[N+]3([O-])CC[C@]4(C(=C2C(=O)OC)Nc2c(OC)cccc24)[C@H]13 ZINC000100268624 FF Annotated Bother CC[C@H]1[C@@H]2CC[N+]3([O-])CC[C@]4(C(=C2C(=O)OC)Nc2c(OC)cccc24)[C@H]13 ZINC000100268627 FF Annotated Bother O=C1C(=O)N(Cc2ccco2)[C@H](c2cccc(O)c2)[C@@H]1C(=O)c1ccco1 ZINC000100276035 FF Annotated Anodyne O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccc(O)c2)[C@@H]1C(=O)c1ccco1 ZINC000100276038 FF Annotated Anodyne O=C1C(=O)N(Cc2ccco2)[C@H](c2cccc(O)c2)[C@H]1C(=O)c1ccco1 ZINC000100276041 FF Annotated Anodyne O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccc(O)c2)[C@H]1C(=O)c1ccco1 ZINC000100276043 FF Annotated Anodyne C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1c(O)c2ccccc2oc1=O ZINC000100299591 FF Annotated Mild CC[C@@H](C)C(=O)O[C@@H](/C=C1/C=C(C)C2=NCC[C@H]3O[C@@]213)[C@@H](C)OC(C)=O ZINC000100305925 FF Annotated Anodyne in-vitro CC[C@H](C)C(=O)O[C@@H](/C=C1/C=C(C)C2=NCC[C@H]3O[C@@]213)[C@@H](C)OC(C)=O ZINC000100305927 FF Annotated Anodyne in-vitro CC[C@@H](C)C(=O)O[C@H](/C=C1/C=C(C)C2=NCC[C@H]3O[C@@]213)[C@@H](C)OC(C)=O ZINC000100305930 FF Annotated Anodyne in-vitro CC[C@H](C)C(=O)O[C@H](/C=C1/C=C(C)C2=NCC[C@H]3O[C@@]213)[C@@H](C)OC(C)=O ZINC000100305931 FF Annotated Anodyne in-vitro CC(=O)[C@H](C#N)C(=O)Nc1cc(Br)ccc1Br ZINC000100380233 FF Annotated Mild COC(=O)[C@H](c1ccccc1Cl)N1CCC(S)=C(CC(=O)O)C1 ZINC000100390714 FF Annotated Anodyne in-man CCn1c(C)nc2cc(C(=O)NN/C(C)=C3\C=CC(OC)=CC3=O)ccc21 ZINC000100432137 FF Annotated Reactive C/N=c1\scc(-c2ccccc2F)n1N/C=C1\C=CC(=O)C(O)=C1O ZINC000100437661 FF Annotated Mild COc1ccc(NC(=O)[C@@H]2C(=O)N[C@@]3(C)C[C@H]2c2ccccc2O3)cc1 ZINC000100446733 FF Annotated Anodyne COc1ccc(NC(=O)[C@@H]2C(=O)N[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 ZINC000100446737 FF Annotated Anodyne COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1OC ZINC000100455251 FF Annotated Mild COCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1OC ZINC000100455254 FF Annotated Mild CCCCNC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000100458928 FF Annotated Anodyne CCCCNC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000100458934 FF Annotated Anodyne CC1=CC=CN2C(=O)C(=C/Nc3ccc(Cl)cc3)/C(=N/CCO)N=C12 ZINC000100462026 FF Annotated Mild C=C(C)COC1=CC(=O)/C(=C2/NC(N)=NC=C2c2ccc(OC)cc2)C=C1 ZINC000100462961 FF Annotated Mild CCN1C(SCC(=O)Nc2ccccc2C)=NN/C1=C1/C=CC=CC1=O ZINC000100479006 FF Annotated Mild C=C(C)COC1=CC(=O)/C(=C2/NNC=C2Oc2cccc(OC)c2)C=C1 ZINC000100487807 FF Annotated Mild C=C(C)COC1=CC(=O)/C(=C2/NNC=C2Oc2ccc(OC)cc2)C=C1 ZINC000100492613 FF Annotated Mild O=C1C(Cl)=CC(Cl)=C/C1=C\NNC(=S)N[C@H]1C[C@@H]2C=C[C@@H]1C2 ZINC000100493076 FF Annotated Mild O=C1C(Cl)=CC(Cl)=C/C1=C\NNC(=S)N[C@@H]1C[C@@H]2C=C[C@@H]1C2 ZINC000100493081 FF Annotated Mild O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1/N=C\c1ccc(N2CCCCC2)o1)C31CC1 ZINC000100496116 FF Annotated Mild O=C1[C@@H]2[C@@H](C(=O)N1/N=C\c1ccc(N3CCCCC3)o1)[C@@H]1C=C[C@@H]2C12CC2 ZINC000100496121 FF Annotated Mild CCCC1=C/C(=C2/NNC(C(=O)OCC)=C2c2cscn2)C(=O)C=C1O ZINC000100496259 FF Annotated Mild COc1cc(C)cc(C(=O)O)c1C1=C(O)c2cccc(O)c2C(=O)C1=O ZINC000100511528 FF Annotated Mild CCCC1=C/C(=C2/NNC=C2c2ccc(C(=O)OCC)o2)C(=O)C=C1O ZINC000100513605 FF Annotated Mild CC1(C)OC(C)(C)[C-](/C=N/CC/N=C/[C-]2C(=O)C(C)(C)OC2(C)C)C1=O ZINC000100523416 FF Annotated Mild in-man CC1=CC(NN/C=C2\C(=O)C=Cc3ccccc32)=N/C(=C2/C=CC=CC2=O)N1 ZINC000100525020 FF Annotated Mild CCCOC(=O)c1ccc(OC2=CNN/C2=C2\C=CC(OC)=CC2=O)cc1 ZINC000100536638 FF Annotated Mild CN1C(=O)/C(=C/C2=C/C(=N/Nc3ccccc3)C=CC2=O)SC1=S ZINC000100537615 FF Annotated Mild CC1=CC(=O)/C(=C2\NNC=C2C(=O)c2ccc(Br)cc2)C=C1 ZINC000100552701 FF Annotated Mild COc1ccc(C2=c3cc(OC)ccc3=NC(c3cccs3)=NN2)cc1 ZINC000100562572 FF Annotated Anodyne Cc1nc2ccccc2c(=O)n1N/C=C1\C=C(Br)C=CC1=O ZINC000100562755 FF Annotated Mild C=C(C)COC1=CC(=O)/C(=C2/NNC=C2Oc2ccccc2OC)C=C1 ZINC000100562922 FF Annotated Mild COc1ccccc1NC(=O)c1c(N/C=C2\C=CC=CC2=O)cnn1C ZINC000100563659 FF Annotated Mild COc1ccccc1N/C=c1/c(C)c(C#N)c2nc3ccccc3n2c1=O ZINC000100572917 FF Annotated Mild CCOC(=O)[C@H]1S[C@]2(C(F)(F)F)C[C@]1(O)c1c(C)cc(C)nc1O2 ZINC000100583564 FF Annotated Anodyne CCOC(=O)[C@@H]1S[C@]2(C(F)(F)F)C[C@]1(O)c1c(C)cc(C)nc1O2 ZINC000100583570 FF Annotated Anodyne CCCCN1C(=O)NC(=O)/C(=C(O)\C=C\c2c[nH]c3ccccc23)C1=O ZINC000100593966 FF Annotated Anodyne COc1cc(C=O)ccc1OCc1cn([C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)nn1 ZINC000100597387 FF Annotated Bother COc1ccc(C=O)c(OCc2cn([C@H]3C[C@@H]4CC[C@H](C3)[N+]4(C)C)nn2)c1 ZINC000100597413 FF Annotated Bother CN1[C@H]2CC[C@@H]1C[C@@H](n1cc([C@@](O)(c3ccccc3)C(F)(F)F)nn1)C2 ZINC000100597522 FF Annotated Anodyne CN1[C@H]2CC[C@@H]1C[C@@H](n1cc([C@](O)(c3ccccc3)C(F)(F)F)nn1)C2 ZINC000100597527 FF Annotated Anodyne O=C(O)/C(=C(O)\C(O)=C(/C(=O)O)c1ccc(O)cc1)c1ccc(O)cc1 ZINC000100598967 FF Annotated Anodyne Cc1ccc2nc3c(=O)n(CC(=O)N4C[C@@H](C)C[C@@H](C)C4)[nH]cc-3c2c1 ZINC000100609981 FF Annotated Anodyne Cc1ccc2nc3c(=O)n(CC(=O)N4C[C@@H](C)C[C@H](C)C4)[nH]cc-3c2c1 ZINC000100609987 FF Annotated Anodyne Cc1ccc2nc3c(=O)n(CC(=O)N4C[C@H](C)C[C@@H](C)C4)[nH]cc-3c2c1 ZINC000100609993 FF Annotated Anodyne Cc1nc2c(C(=O)NCCc3ccccc3Cl)c[nH]n2c(=O)c1Cl ZINC000100613972 FF Annotated Anodyne Cn1c(SCC(=O)N2CCCCC2)nc2c3ccccc3nc-2c1O ZINC000100616853 FF Annotated Anodyne c1ccc2c(c1)CC(N1CC(Oc3nccnc3C3CCOCC3)C1)=N2 ZINC000100620209 FF Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2 ZINC000100621042 FF Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2 ZINC000100621044 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(N)c4)ccc31)[C@@H]1CC[C@@H](C2)N1 ZINC000100632402 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(N)c4)ccc31)[C@H]1CC[C@H](C2)N1 ZINC000100632406 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccc(N)cc4)ccc31)[C@@H]1CC[C@@H](C2)N1 ZINC000100632457 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccc(N)cc4)ccc31)[C@H]1CC[C@H](C2)N1 ZINC000100632461 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cncc(F)c4)ccc31)[C@@H]1CC[C@@H](C2)N1 ZINC000100632513 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cncc(F)c4)ccc31)[C@H]1CC[C@H](C2)N1 ZINC000100632524 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccccn4)ccc31)[C@@H]1CC[C@@H](C2)N1 ZINC000100632528 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccccn4)ccc31)[C@H]1CC[C@H](C2)N1 ZINC000100632543 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccnc4)ccc31)[C@@H]1CC[C@@H](C2)N1 ZINC000100632550 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccnc4)ccc31)[C@H]1CC[C@H](C2)N1 ZINC000100632561 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cc(F)ccn4)ccc31)[C@@H]1CC[C@@H](C2)N1 ZINC000100632815 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cc(F)ccn4)ccc31)[C@H]1CC[C@H](C2)N1 ZINC000100632820 FF Annotated Anodyne O=CC[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100636912 FF Annotated Mild O=C(Nc1nncs1)[C@@H]1C(=O)N2c3ccc(F)cc3Cc3cccc1c32 ZINC000100658285 FF Annotated Anodyne O=C(Nc1nncs1)[C@H]1C(=O)N2c3ccc(F)cc3Cc3cccc1c32 ZINC000100658288 FF Annotated Anodyne COc1cc2c3c(c1)[C@H](C(=O)Nc1cc(F)ccc1F)C(=O)N3CCC2 ZINC000100658395 FF Annotated Anodyne COc1ccc(Br)cc1CNc1nc2nc(C)cc(O)n2n1 ZINC000100695394 FF Annotated Anodyne Cc1cccc([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000100703229 FF Annotated Anodyne Cc1cccc([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000100703231 FF Annotated Anodyne Cc1ccc([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000100703238 FF Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000100703239 FF Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(Cl)c1)C1=C(O)CCCC1=N2 ZINC000100703252 FF Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(Cl)c1)C1=C(O)CCCC1=N2 ZINC000100703255 FF Annotated Anodyne CCc1ccc([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000100703275 FF Annotated Anodyne CCc1ccc([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000100703276 FF Annotated Anodyne Cc1cc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2C)no1 ZINC000100705133 FF Annotated Anodyne Cn1c(SCC(=O)NCc2ccco2)nc2c3ccccc3nc-2c1O ZINC000100705194 FF Annotated Anodyne CC[N+](CC)=C1C=CC(=Nn2[nH]c3ccc(Br)cc3c2=O)C=C1 ZINC000100720553 FF Annotated Mild CC1=NN(c2ccccc2)C(=O)/C1=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000100726273 FF Annotated Mild CC(C)(C)NC(=O)[C@H]1C(=O)CN[C@]23CCCC[C@@H]2[C@@H]1c1ccccc1O3 ZINC000100733809 FF Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1C(=O)CN[C@]23CCCC[C@@H]2[C@@H]1c1ccccc1O3 ZINC000100733814 FF Annotated Anodyne O=C1C[C@@H](Cc2ccccc2)C(=O)N1OS(=O)(=O)/C=C/c1ccccc1 ZINC000100758925 FF Annotated Mild C[C@@H]1CC[C@@](C)(/N=N/c2ccccc2C(=O)O)c2ncc(C(=O)O)c(=O)n21 ZINC000100760775 FF Annotated Clean C[C@H]1CC[C@@](C)(/N=N\c2ccccc2C(=O)O)c2ncc(C(=O)O)c(=O)n21 ZINC000100760777 FF Annotated Clean Nc1ccc(NC(=O)c2c(O)c3cccnc3n(-c3ccccc3)c2=O)cc1 ZINC000100761944 FF Annotated Clean C[C@@H]1CCC(/N=N\c2ccccc2C(=O)O)=C2N(C)C=C(C(=O)O)C(=O)N21 ZINC000100762020 FF Annotated Clean C[C@@H]1CCC(/N=N/c2ccccc2C(=O)O)=C2N(C)C=C(C(=O)O)C(=O)N21 ZINC000100762023 FF Annotated Clean C[C@H]1CCC(/N=N\c2ccccc2C(=O)O)=C2N(C)C=C(C(=O)O)C(=O)N21 ZINC000100762025 FF Annotated Clean C[C@H]1CCC(/N=N/c2ccccc2C(=O)O)=C2N(C)C=C(C(=O)O)C(=O)N21 ZINC000100762028 FF Annotated Clean CCOc1cccc(/N=C/C2=C3NC=C(C(=O)O)C(=O)N3[C@H](C)CC2)c1 ZINC000100775301 FF Annotated Mild CCOc1cccc(/N=C/C2=C3NC=C(C(=O)O)C(=O)N3[C@@H](C)CC2)c1 ZINC000100775304 FF Annotated Mild CC(=O)/C=C/[C@@H]1[C@](C)(O)[C@@H](O)[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]12C ZINC000100778701 FF Annotated Mild in-man endogenous CC(=O)O[C@H]1C/C(C)=C/C[C@@H](OC(C)=O)/C(C)=C/[C@@H]2OC(=O)[C@@H](C)[C@@H]21 ZINC000100780427 FF Annotated Anodyne in-man endogenous CCOC(=O)C(=O)CC(=O)/C=C/c1cccn1Cc1ccc(OC)cc1 ZINC000100800499 FF Annotated Mild COc1c(C)c(O)c2c(c1C=O)O[C@@H](C)[C@H](C(=O)c1ccccc1)C2=O ZINC000100804136 FF Annotated Anodyne in-vitro biogenic Fc1cc(Cl)cc(C#CCOc2nsnc2C23CN4C[C@H]2[C@@H]3C4)c1 ZINC000100811782 FF Annotated Mild Fc1cc(Cl)cc(C#CCOc2nsnc2C23CN4C[C@@H]2[C@H]3C4)c1 ZINC000100811785 FF Annotated Mild COc1cccc2c1c(O)c(C(=O)N(C)c1cc(F)ccc1F)c(=O)n2C ZINC000100814802 FF Annotated Anodyne CCN(C(=O)c1c(O)c2c(OC)cccc2n(C)c1=O)c1ccccc1 ZINC000100815148 FF Annotated Anodyne COc1cccc2c1c(O)c(C(=O)N(C)c1ccccc1F)c(=O)n2C ZINC000100815688 FF Annotated Anodyne Fc1cc(F)cc(C#CCSc2nsnc2C23CN4C[C@H]2[C@@H]3C4)c1 ZINC000100815974 FF Annotated Mild Fc1cc(F)cc(C#CCSc2nsnc2C23CN4C[C@@H]2[C@H]3C4)c1 ZINC000100815976 FF Annotated Mild COc1cccc2c1c(O)c(C(=O)N(C)c1ccc(F)cc1F)c(=O)n2C ZINC000100816534 FF Annotated Anodyne CCN(C(=O)c1c(O)c2c3c(ccc2n(C)c1=O)OCO3)c1ccccc1 ZINC000100817529 FF Annotated Anodyne CC1(CCc2c(O)c3cccnc3n(-c3ccccc3)c2=O)OCCO1 ZINC000100818137 FF Annotated Anodyne CCCCc1c(O)c2cccnc2n(-c2ccc(O)c(C(=O)O)c2)c1=O ZINC000100818273 FF Annotated Anodyne COc1ccccc1N(C)C(=O)c1c(O)c2c(OC)cccc2n(C)c1=O ZINC000100818823 FF Annotated Anodyne C[n+]1cc2c(O)c(OCCO)ccc2c2ccc3cc4c(cc3c21)OCO4 ZINC000100828762 FF Annotated Bother CC(=O)O[C@]1(C)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000100833485 FF Annotated Reactive CC(=O)O[C@@]1(C)CC[C@@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000100833487 FF Annotated Reactive CC(=O)O[C@]1(C)CC[C@@H]2C[C@@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 ZINC000100836769 FF Annotated Reactive CC(=O)O[C@@]1(C)CC[C@@H]2C[C@@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 ZINC000100836770 FF Annotated Reactive COCC[C@@H]1C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@@H]13 ZINC000100848955 FF Annotated Anodyne CCc1ccccc1N1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)OCC(C)C)[C@@H]3C1=O ZINC000100885628 FF Annotated Anodyne O=C1C=C(N2CC2)C(=O)C(c2ccc(Oc3ccccc3)cc2)=C1N1CC1 ZINC000100892556 FF Annotated Mild CC1=C[C@]23CC(=O)[C@@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@@H]2C[C@H]1C[C@]36O)N1CCO[C@@H]15 ZINC000100899214 FF Annotated Anodyne in-vitro C=C1C[C@]23CC(=O)[C@H]4[C@]56CCC[C@@]4(C)[C@H]4OCCN4[C@@H]5[C@@H]2C[C@H]1C(=O)[C@H]36 ZINC000100899217 FF Annotated Mild in-vitro C=C(C)[C@H]1C[C@]23C(=O)C(C(=O)CC(C)C)=C(O)[C@@]2(O)C(=O)C[C@@H]3C1(C)C ZINC000100900239 FF Annotated Mild in-vitro biogenic N=C(N)SCCO[C@@H]1CC[C@@H]([C@H]2CC[C@@](O)(CC(=O)O)CC2)CC1 ZINC000100902246 FF Annotated Anodyne N=C(N)SCCOc1ccc([C@@H]2CC[C@@](O)(CC(=O)O)CC2)cc1 ZINC000100903262 FF Annotated Anodyne COC1(C(=N)/C=C(\O)OCc2ccc3c(ccc(=O)n3C)c2)CCOCC1 ZINC000100936949 FF Annotated Anodyne COCC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000100956721 FF Annotated Anodyne C=C1CCO[C@@H]2C(=O)N(Cc3ccccc3)[C@@H]1C(=O)N2Cc1ccccc1 ZINC000100970392 FF Annotated Mild O=C1[C@H]2OCCC[C@@H](C(=O)N2Cc2ccccc2)N1Cc1ccccc1 ZINC000100970681 FF Annotated Anodyne CNC(=O)N1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000100970958 FF Annotated Anodyne CCOC(=O)C1=C[C@H]2C(=O)c3ncccc3C(=O)[C@@H]2C(c2ccc(C)cc2)=N1 ZINC000100986565 FF Annotated Anodyne CCOC(=O)C1=C[C@@H]2C(=O)c3ncccc3C(=O)[C@@H]2C(c2ccc(C)cc2)=N1 ZINC000100986567 FF Annotated Anodyne CCOC(=O)C1=C[C@@H]2C(=O)c3ncccc3C(=O)[C@H]2C(c2ccc(C)cc2)=N1 ZINC000100986570 FF Annotated Anodyne NS(=O)(=O)c1ccc(/N=C/c2c(O)[nH]c3ccc4ncsc4c23)cc1 ZINC000101002234 FF Annotated Mild CCCC[C@H](O)c1c(C/C=C/CO)cc2c(c1O)C(O)=C/C(=N\C)C2=O ZINC000101008138 FF Annotated Mild CCCC[C@@H](O)c1c(C/C=C/CO)cc2c(c1O)C(O)=C/C(=N\C)C2=O ZINC000101008139 FF Annotated Mild CCCC[C@H]1O[C@@H](CC(=O)O)Cc2cc3c(c(O)c21)C(=O)C=C(NC)C3=O ZINC000101008258 FF Annotated Mild CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN(C2=O)[C@@H]13 ZINC000101017018 FF Annotated Anodyne O=C(O)C(=O)/C=C(\O)c1cc2cc3c(cc2n1Cc1ccccc1)OCO3 ZINC000101018809 FF Annotated Mild Cc1cccc2c1N[P@](=O)(COCCn1cnc3c(N)ncnc31)OC2 ZINC000101032639 FF Annotated Anodyne O=C1[C@H]2C[C@@H]2C(=O)N1c1cc(Cc2nnc(O)c3ccccc23)ccc1F ZINC000101037634 FF Annotated Anodyne O=C1[C@@H]2C[C@H]2C(=O)N1c1cc(Cc2nnc(O)c3ccccc23)ccc1F ZINC000101037636 FF Annotated Anodyne CCCC[C@]12C[C@]1(C(=O)NCCC(=O)O)C(=O)Nc1ccc(Cl)cc12 ZINC000101050068 FF Annotated Anodyne CCCC[C@@]12C[C@@]1(C(=O)NCCC(=O)O)C(=O)Nc1ccc(Cl)cc12 ZINC000101050071 FF Annotated Anodyne CNC(=O)c1cn2c(c1O)C(=O)N(Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000101097179 FF Annotated Anodyne O=C1C=C(C(F)(F)F)[C@@H]2C=CC(NCC(F)(F)C(F)(F)F)=C[C@H]2N1 ZINC000101109510 FF Annotated Mild O=C1C=C(C(F)(F)F)[C@@H]2C=CC(NCC(F)(F)C(F)(F)F)=C[C@@H]2N1 ZINC000101109512 FF Annotated Mild O=C1C=C(C(F)(F)F)[C@H]2C=CC(NCC(F)(F)C(F)(F)F)=C[C@H]2N1 ZINC000101109514 FF Annotated Mild O=C1C=C(C(F)(F)F)[C@H]2C=CC(NCC(F)(F)C(F)(F)F)=C[C@@H]2N1 ZINC000101109517 FF Annotated Mild O=C1NC(=O)[C@@H](c2c[nH]c3cc(O)ccc23)[C@@H]1c1c[nH]c2cc(O)ccc12 ZINC000101113113 FF Annotated Anodyne O=C1c2[nH]c3cc(-c4ccco4)nn3c(=O)c2CN1Cc1ccc(F)cc1 ZINC000101135377 FF Annotated Anodyne C[C@H]1C[C@H]2O[C@H]2/C=C/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 ZINC000101150008 FF Annotated Mild NC(=O)[C@@]12CCCC[C@H](CC1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000101155775 FF Annotated Anodyne O=C1c2[nH]c3cc(-c4ccco4)nn3c(=O)c2CN1CCCc1ccccc1 ZINC000101163423 FF Annotated Anodyne C=CC[C@@]12C=C(OC)C(=O)[C@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2O ZINC000101165007 FF Annotated Mild CCOc1ccc(/N=C/C2=C3NC=C(C(=O)O)C(=O)N3[C@H](C)CC2)cc1 ZINC000101175772 FF Annotated Mild CCOc1ccc(/N=C/C2=C3NC=C(C(=O)O)C(=O)N3[C@@H](C)CC2)cc1 ZINC000101175774 FF Annotated Mild CC(C)CC[C@@H]1CC(=O)N(OS(=O)(=O)/C=C/c2ccccc2)C1=O ZINC000101199610 FF Annotated Mild CN(C)c1ccc2c(c1)c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C ZINC000101210485 FF Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)C[C@@H]3C=C(C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12)C(=O)O3 ZINC000101252567 FF Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)C[C@@H]3C=C(C[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12)C(=O)O3 ZINC000101252570 FF Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)C[C@@H]3C=C(C[C@H](OC(=O)[C@H](C)CC)[C@@H]12)C(=O)O3 ZINC000101252575 FF Annotated Anodyne biogenic C=C1C(=O)O[C@@H]2/C=C(\C)C[C@@H]3C=C(C[C@H](OC(=O)[C@@H](C)CC)[C@@H]12)C(=O)O3 ZINC000101252578 FF Annotated Mild CCN1C[C@H]2[C@@H](C1)[C@@H]2CN(Cc1cccc(Cl)c1)C(=O)c1cn(C)cn1 ZINC000101270897 FF Annotated Anodyne CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc3c(c1)COO3)[C@H](C)N2 ZINC000101271804 FF Annotated Reactive CNC[C@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 ZINC000101282939 FF Annotated Anodyne CNC[C@H](Cc1ccc(O)cc1)N1CCN(CC[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 ZINC000101282944 FF Annotated Anodyne CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 ZINC000101282981 FF Annotated Anodyne CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 ZINC000101282984 FF Annotated Anodyne CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)Nc1ccc(F)cc1)C2 ZINC000101283318 FF Annotated Anodyne C=CCC1=C[C@]2(OC)[C@@H](O)[C@@H](C1=O)[C@H](c1cc(OC)c3c(c1)OCO3)[C@H]2C ZINC000101299567 FF Annotated Mild N=C(N)SCCO[C@@H]1CC[C@@H]([C@@H]2CC[C@@](O)(CC(=O)O)CC2)CC1 ZINC000101316148 FF Annotated Anodyne CCOC(=O)C1=C[C@H]2C(=O)c3cccnc3C(=O)[C@@H]2C(c2ccc(C)cc2)=N1 ZINC000101347010 FF Annotated Anodyne CCOC(=O)C1=C[C@@H]2C(=O)c3cccnc3C(=O)[C@@H]2C(c2ccc(C)cc2)=N1 ZINC000101347013 FF Annotated Anodyne CCOC(=O)C1=C[C@@H]2C(=O)c3cccnc3C(=O)[C@H]2C(c2ccc(C)cc2)=N1 ZINC000101347016 FF Annotated Anodyne CCOC(=O)C1=C[C@H]2C(=O)c3cccnc3C(=O)[C@@H]2C(c2ccccc2)=N1 ZINC000101349134 FF Annotated Anodyne CCOC(=O)C1=C[C@@H]2C(=O)c3cccnc3C(=O)[C@@H]2C(c2ccccc2)=N1 ZINC000101349139 FF Annotated Anodyne CCOC(=O)C1=C[C@@H]2C(=O)c3cccnc3C(=O)[C@H]2C(c2ccccc2)=N1 ZINC000101349143 FF Annotated Anodyne NCCCN1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000101351416 FF Annotated Anodyne CCOC(=O)C1=C[C@H]2C(=O)c3ncccc3C(=O)[C@@H]2C(c2ccccc2)=N1 ZINC000101368743 FF Annotated Anodyne CCOC(=O)C1=C[C@@H]2C(=O)c3ncccc3C(=O)[C@@H]2C(c2ccccc2)=N1 ZINC000101368744 FF Annotated Anodyne CCOC(=O)C1=C[C@@H]2C(=O)c3ncccc3C(=O)[C@H]2C(c2ccccc2)=N1 ZINC000101368745 FF Annotated Anodyne Cc1ccc(CNCC2(O)C[C@H]3CC[C@H](C2)N3C(=O)c2ccccc2)nc1 ZINC000101369497 FF Annotated Anodyne Cc1ccc(CNCC2(O)C[C@@H]3CC[C@@H](C2)N3C(=O)c2ccsc2)nc1 ZINC000101369500 FF Annotated Anodyne Cc1ccc(CNCC2(O)C[C@H]3CC[C@H](C2)N3C(=O)c2ccsc2)nc1 ZINC000101369506 FF Annotated Anodyne CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccc(O)cc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000101370584 FF Annotated Anodyne COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)[C@@H](O)C2)cc1 ZINC000101381464 FF Annotated Mild Cc1c(C2=CCN(C(=O)N(C)C(C)C)CC2)nnn1-c1cccnc1[18F] ZINC000101385037 FF Annotated Anodyne O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1cccc(O)c1 ZINC000101395372 FF Annotated Clean CCS(=O)(=O)[C@@H]1C[C@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000101400109 FF Annotated Anodyne CCS(=O)(=O)[C@H]1C[C@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000101400110 FF Annotated Anodyne NC(=O)[C@@H]1CCCN([C@@H]2CC[C@H]([C@H](N)Cc3cc(F)ccc3F)CC2)C1 ZINC000101403002 FF Annotated Anodyne NC(=O)[C@H]1CCCN([C@@H]2CC[C@H]([C@H](N)Cc3cc(F)ccc3F)CC2)C1 ZINC000101403007 FF Annotated Anodyne NC(=O)[C@@H]1CCCN([C@@H]2CC[C@@H]([C@H](N)Cc3cc(F)ccc3F)CC2)C1 ZINC000101403010 FF Annotated Anodyne NC(=O)[C@H]1CCCN([C@@H]2CC[C@@H]([C@H](N)Cc3cc(F)ccc3F)CC2)C1 ZINC000101403013 FF Annotated Anodyne CCN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(C)(=O)=O ZINC000101403184 FF Annotated Anodyne CN(C(=O)CCC(=O)O)[C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1 ZINC000101403212 FF Annotated Anodyne COc1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)CC[C@@]3(C)O2)ccc1-c1cnco1 ZINC000101447154 FF Annotated Anodyne COc1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C)CC[C@]3(C)O2)ccc1-c1cnco1 ZINC000101447156 FF Annotated Anodyne C[C@H]1CCC[C@@H]2C=C[C@H](C)[C@@](C)(C3=CC(=O)/C(=C\NCCO)C(=O)O3)[C@H]12 ZINC000101449005 FF Annotated Mild O=C1c2[nH]c3cc(-c4cccs4)nn3c(=O)c2CN1Cc1ccccc1 ZINC000101451154 FF Annotated Anodyne C[S@](=O)c1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F ZINC000101470830 FF Annotated Anodyne C[S@@](=O)c1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F ZINC000101470835 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccncc4)ccc31)[C@@H]1CC[C@@H](C2)N1 ZINC000101471610 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccncc4)ccc31)[C@H]1CC[C@H](C2)N1 ZINC000101471617 FF Annotated Anodyne COc1ccc(N(C)C(=O)c2c(O)c3c(OC)cccc3n(C)c2=O)cc1 ZINC000101475394 FF Annotated Anodyne C=C[C@@H]1CO[C@@H]2C(=O)N(Cc3ccccc3)[C@@H]1C(=O)N2Cc1ccccc1 ZINC000101479617 FF Annotated Mild C=C[C@H]1CO[C@@H]2C(=O)N(Cc3ccccc3)[C@@H]1C(=O)N2Cc1ccccc1 ZINC000101479619 FF Annotated Mild CS(=O)(=O)CCCn1c(=N)sc2cc(OC(F)(F)F)ccc21 ZINC000101494382 FF Annotated Anodyne CC[C@H]1C[C@@H]2CN3CC[C@]4(O)C(=Nc5ccccc54)[C@](C(=O)OC)(C2)[C@H]13 ZINC000101499608 FF Annotated Anodyne CC(=O)N1CCN(C[C@@H]2C(=O)O[C@@H]3/C=C(\C)CC/C=C(\C)CC[C@H]32)CC1 ZINC000101502116 FF Annotated Anodyne c1ccc(-c2n/c(=N\CCN3CCOCC3)sn2-c2ccccc2)cc1 ZINC000101506360 FF Annotated Anodyne C[C@H](O)[C@H]1C(=O)/C(=C(\O)[C@]2(C)[C@H](C)C=C[C@@H]3C[C@H](C)CC[C@H]32)C(=O)N1C ZINC000101581515 FF Annotated Mild C[C@H]1CN(/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000101597659 FF Annotated Mild C[C@H]1CN(/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000101597664 FF Annotated Mild C[C@@H]1CN(/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000101597670 FF Annotated Mild Cn1nccc1Cc1c([C@@H]2CC[C@H](c3ccccc3)CC2)[nH]c(=O)[nH]c1=O ZINC000101598383 FF Annotated Anodyne O=c1[nH]c([C@@H]2CC[C@H](c3ccccc3)CC2)c(Cc2ncccn2)c(=O)[nH]1 ZINC000101598411 FF Annotated Anodyne OC1(c2ccc(F)cc2)C[C@@H]2CC[C@@H](C1)N2Cc1nnnn1C1CCCC1 ZINC000101616306 FF Annotated Anodyne OC1(c2ccc(F)cc2)C[C@H]2CC[C@H](C1)N2Cc1nnnn1C1CCCC1 ZINC000101616308 FF Annotated Anodyne N#CCSc1nc2nncc-2c(O)n1-c1ccccc1Br ZINC000101617205 FF Annotated Mild CNC(=O)c1cn2c(-c3ccc(C)cc3)nc3c(NC)c(F)cc(c1=O)c32 ZINC000101632691 FF Annotated Anodyne CNC(=O)c1cn2c(-c3ccc(F)cc3)nc3c(NC)c(F)cc(c1=O)c32 ZINC000101635958 FF Annotated Anodyne O=C([C@@H]1CCCO1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 ZINC000101637715 FF Annotated Anodyne O=C([C@H]1CCCO1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 ZINC000101637719 FF Annotated Anodyne NCCCCCNCCCNC1=CC(=O)c2cc3ccccc3cc2C1=O ZINC000101654266 FF Annotated Mild C/C(=N\CCCn1ccnc1)c1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1O ZINC000101655803 FF Annotated Mild C=CC/N=C(\S)N1CCN(CC/N=C2/C=C(O)CC(C)(C)C2)CC1 ZINC000101658280 FF Annotated Mild CCOC(=O)[C@@H]1CCCN(c2[nH]cnc3c4c(OC)cccc4nc2-3)C1 ZINC000101668933 FF Annotated Anodyne CCOC(=O)[C@H]1CCCN(c2[nH]cnc3c4c(OC)cccc4nc2-3)C1 ZINC000101668938 FF Annotated Anodyne CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5cc(O)ccc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000101698052 FF Annotated Anodyne COc1cc2c(cc1OC)N1C(=O)C[C@]34C=CCN5CC[C@@H]2[C@@H](CC3)[C@@]514 ZINC000101698481 FF Annotated Anodyne COc1ccc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nnnn32)c1 ZINC000101699285 FF Annotated Anodyne COc1ccc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nnnn32)c1 ZINC000101699290 FF Annotated Anodyne CC(=O)O[C@@H]1/C=C(\C)CC[C@H]2O[C@@]2(C=O)C[C@@H](OC(C)=O)[C@@H]1C(C)C ZINC000101709534 FF Annotated Mild C=C1CC[C@@H](OC)[C@@](O)(CO)C[C@H]2O[C@@]23[C@H](C(C)(C)O)CC[C@@]3(C)CC1 ZINC000101721613 FF Annotated Mild COc1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)c(OC)cc1Cl ZINC000101747942 FF Annotated Anodyne COc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)c(OC)cc1Cl ZINC000101747946 FF Annotated Anodyne CCCn1c(O)nnc1SC/C(O)=C(\C#N)c1nc2ccccc2[nH]1 ZINC000101757899 FF Annotated Reactive CC1CCN(C(=O)CSc2n[nH]c3c4cc(F)ccc4nc-3n2)CC1 ZINC000101784785 FF Annotated Anodyne Cc1ccc(CCNC(=O)Cn2ncc3c4ccccc4nc-3c2O)cc1 ZINC000101789328 FF Annotated Anodyne O=C(CNC(=O)c1cccs1)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 ZINC000101794176 FF Annotated Clean O=C(Cn1ncc2c3ccccc3nc-2c1O)N1CCc2ccccc2C1 ZINC000101844201 FF Annotated Anodyne Cc1ccc(S(=O)(=O)[C@H]2C(=O)N(C)[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 ZINC000101849451 FF Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2C(=O)N(C)[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 ZINC000101849454 FF Annotated Anodyne C#C[C@@H]1C[C@@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000101868681 FF Annotated Mild C#C[C@H]1C[C@@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000101868683 FF Annotated Mild CO/C(O)=C1\C(C)=NC(=S)N(C(C)=O)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000101882070 FF Annotated Anodyne CO/C(O)=C1\C(C)=NC(=S)N(C(C)=O)[C@H]1c1ccc(OC)c(OC)c1 ZINC000101882074 FF Annotated Anodyne Cc1cccc(CCNC(=O)Cn2ncc3c4ccccc4nc-3c2O)c1 ZINC000101911885 FF Annotated Anodyne CC1(C)C=C(/C(O)=N\CCCN2C(=O)c3ccccc3C2=O)C(C)(C)N1[O] ZINC000101966929 FF Annotated Mild COCC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)O)(C2)[C@H]13 ZINC000101970993 FF Annotated Anodyne O=C(NCc1ccccc1)c1c(-c2ccccc2)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000101973585 FF Annotated Anodyne Cn1cc2c(n1)C[C@@H]1CCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000102024875 FF Annotated Anodyne Cn1cc2c(n1)C[C@H]1CCC[C@H]2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000102024879 FF Annotated Anodyne O=C1c2[nH]ncc2[C@H]2CCC[C@H]1N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000102048822 FF Annotated Anodyne Cn1ncc2c1C[C@@H]1CCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000102051952 FF Annotated Anodyne Cn1ncc2c1C[C@H]1CCC[C@H]2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000102051958 FF Annotated Anodyne Nc1ncc2c(n1)C[C@H]1CCC[C@H]2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000102059458 FF Annotated Anodyne CCc1ccccc1N1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)OCC(C)C)[C@@H]3C1=O ZINC000102094506 FF Annotated Anodyne CCc1ccccc1N1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)OCC(C)C)[C@H]3C1=O ZINC000102094512 FF Annotated Anodyne O=C1C=C(C(F)(F)F)[C@@H]2C=C(NCC(F)(F)C(F)(F)F)C=C[C@H]2N1 ZINC000102215037 FF Annotated Mild O=C1C=C(C(F)(F)F)[C@H]2C=C(NCC(F)(F)C(F)(F)F)C=C[C@H]2N1 ZINC000102215041 FF Annotated Mild O=C1C=C(C(F)(F)F)[C@@H]2C=C(NCC(F)(F)C(F)(F)F)C=C[C@@H]2N1 ZINC000102215045 FF Annotated Mild O=C1C=C(C(F)(F)F)[C@H]2C=C(NCC(F)(F)C(F)(F)F)C=C[C@@H]2N1 ZINC000102215051 FF Annotated Mild CCOC(=O)C(=O)CC(=O)/C=C/c1cccn1Cc1ccc(F)cc1F ZINC000102220866 FF Annotated Mild C=C1CC[C@@]2(O)[C@H]1C(=O)[C@@H](C(C)C)C[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)O ZINC000102221891 FF Annotated Mild CO[C@@]12CC[C@H](O)[C@@](C)(CC[C@@H]3/C(=C\C=C\C(C)(C)O)COC(=O)[C@H]31)C2 ZINC000102236715 FF Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3ccc(N)nc3)cc(-c3ncccn3)c2[nH]1 ZINC000102265300 FF Annotated Anodyne CN1C=CCC(C(=O)NCCc2ccc([125I])cc2)=C1 ZINC000102312009 FF Annotated Anodyne O=C(CNC(=O)c1cccs1)/N=N\c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 ZINC000102330892 FF Annotated Clean C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1c(O)oc2ccccc2c1=O ZINC000102340560 FF Annotated Mild N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000102411028 FF Annotated Reactive CSc1ccccc1/N=N\[C@H]1C(=O)NN=C1C1CCN(C(C)=O)CC1 ZINC000102448107 FF Annotated Clean CSc1ccccc1/N=N\[C@@H]1C(=O)NN=C1C1CCN(C(C)=O)CC1 ZINC000102448110 FF Annotated Clean O=c1[nH]c(-c2cccc(CN3[C@H]4CC[C@@H]3C[C@H](O)C4)c2)nc2c1CCCC2 ZINC000102567059 FF Annotated Anodyne CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N\c1ccc(C)c(Br)c1 ZINC000102596957 FF Annotated Clean Cc1nn(C)c(C)c1Nc1ccc(N2C(=O)C[C@H](C)C2=O)cc1[N+](=O)[O-] ZINC000102603544 FF Annotated Anodyne CCc1ccc(NC(=O)CN(/N=N\c2nonc2C)c2nonc2C)cc1 ZINC000102610613 FF Annotated Clean C=CCn1c(O)c(/N=N\C(=O)CNC(=O)c2ccncc2)c2ccccc21 ZINC000102634805 FF Annotated Mild COC(=O)[C@@]12CC3(CC[C@H]4[C@@H]5[C@@H]([C@@H](OCc6ccccc6)[C@@H]41)[C@@H]52)OCCO3 ZINC000102643302 FF Annotated Anodyne COC(=O)[C@]12CC3(CC[C@H]4[C@@H]5[C@@H]([C@@H](OCc6ccccc6)[C@@H]41)[C@@H]52)OCCO3 ZINC000102643304 FF Annotated Anodyne COC(=O)[C@@]12CC3(CC[C@@H]4[C@@H]5[C@@H]([C@@H](OCc6ccccc6)[C@@H]41)[C@@H]52)OCCO3 ZINC000102643306 FF Annotated Anodyne COC(=O)[C@]12CC3(CC[C@@H]4[C@@H]5[C@@H]([C@@H](OCc6ccccc6)[C@@H]41)[C@@H]52)OCCO3 ZINC000102643309 FF Annotated Anodyne COC(=O)c1nc2n(n1)[C@H](c1ccccc1OC)C1=C(O)CCCC1=N2 ZINC000102651620 FF Annotated Anodyne COC(=O)c1nc2n(n1)[C@@H](c1ccccc1OC)C1=C(O)CCCC1=N2 ZINC000102651622 FF Annotated Anodyne CC1=NN(C2=NCCS2)C(=O)/C1=N/Nc1cccc(C(F)(F)F)c1 ZINC000102667320 FF Annotated Mild Cc1cc(C(=O)N2C[C@H]3[C@H](CN(C)CCc4ccccn4)[C@H]3C2)c(C)o1 ZINC000102674006 FF Annotated Anodyne CCc1nnc(NC(=O)CSc2n[nH]c3c4ccccc4nc-3n2)s1 ZINC000102682287 FF Annotated Anodyne CCOC(=O)C(/C=N\Nc1c(C)csc1C(=O)OC)=C(/O)OCC ZINC000102744510 FF Annotated Mild Cc1cc2[nH]cc(C(=O)N3CCCC[C@@H]3c3ccc(F)cc3)c(=O)n2n1 ZINC000102759303 FF Annotated Anodyne Cc1cc2[nH]cc(C(=O)N3CCCC[C@H]3c3ccc(F)cc3)c(=O)n2n1 ZINC000102759305 FF Annotated Anodyne Cc1cc(C)cc(SC2=C(C(C)C)C(=O)NC(=O)[C@@H]2COCCO)c1 ZINC000102808773 FF Annotated Anodyne Cc1cc(C)cc(SC2=C(C(C)C)C(=O)NC(=O)[C@H]2COCCO)c1 ZINC000102808776 FF Annotated Anodyne CCOC(=O)c1c2n(c(=N)c3c(F)c(C#N)c(F)c(Cl)c13)CCN2 ZINC000102826908 FF Annotated Mild CC1=C2OCCCCN3C(=O)[C@@](O)(c4cc(C)ccc43)[C@]2(C)SC1=O ZINC000102827811 FF Annotated Mild C/C1=C\[C@]2(O)OC[C@@]3(C)O[C@@]23CC[C@](C)(O)/C=C/C[C@@]2(C)O[C@H]2CC1 ZINC000102827816 FF Annotated Anodyne COc1cccc([C@H](c2sc3ncnn3c2O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000102874233 FF Annotated Anodyne Cc1c(C(=O)/C=C(\O)c2ccc(O)c(O)c2)nnn1Cc1ccc(F)cc1 ZINC000102899442 FF Annotated Mild Cc1c(C(=O)/C=C(\O)c2ccc(O)c(O)c2)nnn1Cc1cccc(F)c1 ZINC000102899446 FF Annotated Mild COC(=O)C1=NN(c2ccccc2)C2=CN=C3NC(c4ccccc4)=C[C@H]3N21 ZINC000102899577 FF Annotated Anodyne CC(C)n1c(=O)c(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc21 ZINC000102899716 FF Annotated Anodyne CCCn1c(O)cc(=O)nc1SCC(=O)Nc1ccc(Cl)cc1F ZINC000102900307 FF Annotated Anodyne C=C1C=C(C(F)F)n2ncc(C(=O)NCCc3ccccc3OC)c2N1 ZINC000102901727 FF Annotated Anodyne C/C(=N\NC(N)=O)C1=C(O)[C@@H](c2ccccc2)N(C2CCCCC2)C1=O ZINC000102906629 FF Annotated Reactive C=C1C=C(C(F)F)n2ncc(C(=O)N3CCN(c4ccccc4)CC3)c2N1 ZINC000102946120 FF Annotated Anodyne C[S@](=O)c1ccc(CO[P@@](N)(=O)N(CCCl)CCCl)cc1 ZINC000102949734 FF Annotated Reactive C[S@@](=O)c1ccc(CO[P@@](N)(=O)N(CCCl)CCCl)cc1 ZINC000102949736 FF Annotated Reactive COc1cc(Br)cc2c1O[C@H]1C(=O)C[C@H]3C[C@]21CCN3C ZINC000102957225 FF Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(N/N=C2\SC(=N)N=C2C)c1 ZINC000102971240 FF Annotated Mild COc1cc([C@@H]2c3cc(O)c(OC)cc3[C@H]3OC[C@H]2[C@H]3CO)ccc1O ZINC000102980591 FF Annotated Anodyne COc1cc([C@H]2c3cc(O)c(OC)cc3[C@H]3OC[C@H]2[C@H]3CO)ccc1O ZINC000102980594 FF Annotated Anodyne c1ccc(COC2(OCc3ccccc3)C[C@H]3O[C@H]2[C@H]2NN=N[C@@H]23)cc1 ZINC000102981774 FF Annotated Anodyne c1ccc(COC2(OCc3ccccc3)C[C@H]3O[C@H]2[C@H]2NN=N[C@H]23)cc1 ZINC000102981779 FF Annotated Anodyne O=C(c1ccccc1)[C@@H]1CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C1=O)[C@@H]34 ZINC000102988755 FF Annotated Anodyne O=C(c1ccccc1)[C@H]1CC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C1=O)[C@@H]34 ZINC000102988757 FF Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCCC/N=C(\N)CSS(=O)(=O)O)C2 ZINC000102997401 FF Annotated Reactive O=C1C[C@H](c2ccccc2F)C(=O)N1CN1CCN(C2CCCCC2)CC1 ZINC000103009289 FF Annotated Anodyne CCC1=CC[C@@]23C(=O)C=CC(=O)[C@@]2(C1)C(=O)c1cccc(OC)c1C3=O ZINC000103013671 FF Annotated Mild CCC1=CC[C@]23C(=O)C=CC(=O)[C@]2(C1)C(=O)c1cccc(OC)c1C3=O ZINC000103013675 FF Annotated Mild C/C(O)=C/C(=O)c1[nH]c(C(=O)O)cc1[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000103013725 FF Annotated Mild C/C(O)=C/C(=O)c1[nH]c(C(=O)O)cc1[C@H]1CCN(Cc2ccccc2)C1=O ZINC000103013728 FF Annotated Mild CCn1c(O)c(/N=N\C(=O)CNC(=O)c2cccnc2)c2ccccc21 ZINC000103055430 FF Annotated Clean CCn1c(O)c(/N=N/C(=O)CNC(=O)c2cccnc2)c2ccccc21 ZINC000103055435 FF Annotated Clean COc1cc([C@@H]2CC(C3C(=O)c4ccccc4C3=O)=NC(=O)N2)ccc1O ZINC000103068866 FF Annotated Clean COc1cc([C@H]2CC(C3C(=O)c4ccccc4C3=O)=NC(=O)N2)ccc1O ZINC000103068868 FF Annotated Clean O=C1N=C(C2C(=O)c3ccccc3C2=O)C[C@@H](c2ccccc2[N+](=O)[O-])N1 ZINC000103071300 FF Annotated Clean O=C1N=C(C2C(=O)c3ccccc3C2=O)C[C@H](c2ccccc2[N+](=O)[O-])N1 ZINC000103071303 FF Annotated Clean O=C1[C@@H]2CCC[C@@H]1[C@H](c1ccc(O)c(O)c1)N[C@@H]2c1ccc(O)c(O)c1 ZINC000103073269 FF Annotated Clean C/C=C1/CN2CC[C@@]34c5cc(OC)ccc5N(C)[C@H]3[C@@H]2C[C@H]1[C@@H]4C(=O)OC ZINC000103084624 FF Annotated Clean CCCCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000103108310 FF Annotated Anodyne CCCCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000103108312 FF Annotated Anodyne CCc1ccccc1N1C[C@@]23C=C[C@H](O2)[C@H](C(=O)OCC(C)C)[C@H]3C1=O ZINC000103108490 FF Annotated Anodyne CC[C@@H](C)[C@H](/N=C1/c2c(O)cccc2Cc2cc(CO)cc(O)c21)C(=O)O ZINC000103130224 FF Annotated Mild CC[C@H](C)[C@H](/N=C1/c2c(O)cccc2Cc2cc(CO)cc(O)c21)C(=O)O ZINC000103130225 FF Annotated Mild CC[C@@H](C)[C@@H](/N=C1/c2c(O)cccc2Cc2cc(CO)cc(O)c21)C(=O)O ZINC000103130228 FF Annotated Mild CC[C@H](C)[C@@H](/N=C1/c2c(O)cccc2Cc2cc(CO)cc(O)c21)C(=O)O ZINC000103130232 FF Annotated Mild CC(C)C[C@H](/N=C1/c2c(O)cccc2Cc2cc(CO)cc(O)c21)C(=O)O ZINC000103133029 FF Annotated Mild CC(C)C[C@@H](/N=C1/c2c(O)cccc2Cc2cc(CO)cc(O)c21)C(=O)O ZINC000103133031 FF Annotated Mild O=C(CC(=O)c1nnn[nH]1)c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000103139701 FF Annotated Anodyne C=C1[C@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(NC(=O)NC)[C@H]4CC[C@]3(C2)[C@@H]1O ZINC000103144656 FF Annotated Mild c1ccc(CC23C[C@@H]4CC(C[C@H](C4)C2)[C@@H]3NCCN2CCNCC2)cc1 ZINC000103148617 FF Annotated Anodyne O=c1c(/C=C/c2ccco2)n[nH]c(=S)n1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000103161287 FF Annotated Mild Oc1ccc(C(=S)NNC(=S)Nc2cccc(Cl)c2)c(O)c1 ZINC000103167874 FF Annotated Anodyne O=c1n(CC#CCN2CCCC2)nc(-c2ccccc2)n1-c1ccccc1 ZINC000103170761 FF Annotated Mild CSc1cccc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000103172747 FF Annotated Reactive O=c1[nH]c(=O)n(C/C(=N/Nc2ccccc2)c2ccccc2)cc1Cl ZINC000103174200 FF Annotated Mild CC[C@H](C)[C@H](N)C(=O)Nc1cc(NC(=O)/C=C/c2ccco2)ccc1O ZINC000103177515 FF Annotated Anodyne CC(C)C[C@H](N)C(=O)Nc1cc(NC(=O)/C=C/c2ccco2)ccc1O ZINC000103178801 FF Annotated Anodyne COc1cc(/C=N\C2=CC(=O)C(=O)c3ccccc32)cc(OC)c1OC ZINC000103181022 FF Annotated Mild C/C(=N\NC(=O)c1snnc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000103183018 FF Annotated Reactive CS/C(NCc1ccc(Cl)nc1)=C(/C#N)C(=O)OC[C@@H]1CCCO1 ZINC000103185259 FF Annotated Reactive CS/C(NCc1ccc(Cl)nc1)=C(/C#N)C(=O)OC[C@H]1CCCO1 ZINC000103185262 FF Annotated Reactive O=C(O)C1=C(/C=C/c2ccc(O)cc2)NC(=S)N[C@H]1c1ccc(O)cc1 ZINC000103187823 FF Annotated Anodyne O=C(O)C1=C(/C=C/c2ccc(O)cc2)NC(=S)N[C@@H]1c1ccc(O)cc1 ZINC000103187825 FF Annotated Anodyne COc1ccc2c(n1)[C@]1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21 ZINC000103189061 FF Annotated Anodyne COc1ccc2c(n1)[C@@]1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21 ZINC000103189066 FF Annotated Anodyne Cc1nc(-n2nc(C)c(Br)c2C)nc(O)c1Br ZINC000103189253 FF Annotated Anodyne Cc1c(C(F)(F)F)noc1OCC(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000103190077 FF Annotated Bother C[C@@H]1CC[C@H]2[C@@](C)(C(=O)OCCCl)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 ZINC000103190919 FF Annotated Reactive C[C@@H]1CC[C@H]2[C@@](C)(C(=O)OCCCl)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103190923 FF Annotated Reactive C[C@@H]1CC[C@H]2[C@@](C)(COC(=O)CCl)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 ZINC000103192717 FF Annotated Reactive C[C@@H]1CC[C@H]2[C@@](C)(COC(=O)CCl)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103192720 FF Annotated Reactive CNC(=O)[C@@H](OC)c1ccccc1CO/N=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000103192879 FF Annotated Mild CNC(=O)[C@H](OC)c1ccccc1CO/N=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000103192882 FF Annotated Mild Cc1nc2n(c1C(=O)Nc1c(Cl)cccc1Cl)CCS2(=O)=O ZINC000103194178 FF Annotated Anodyne CCOCCOc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cc1 ZINC000103196337 FF Annotated Anodyne Cc1c(C(F)(F)F)noc1OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000103199896 FF Annotated Bother COc1ccc2c(c1)OC[C@]21C(=O)N(C[C@H]2CCCO2)c2ccccc21 ZINC000103200166 FF Annotated Anodyne COc1ccc2c(c1)OC[C@@]21C(=O)N(C[C@H]2CCCO2)c2ccccc21 ZINC000103200168 FF Annotated Anodyne COc1cc2c(cn1)OC[C@]21C(=O)N(C[C@@H]2CCCCO2)c2ccccc21 ZINC000103200249 FF Annotated Anodyne COc1cc2c(cn1)OC[C@@]21C(=O)N(C[C@@H]2CCCCO2)c2ccccc21 ZINC000103200253 FF Annotated Anodyne COc1cc2c(cn1)OC[C@]21C(=O)N(C[C@H]2CCCCO2)c2ccccc21 ZINC000103200256 FF Annotated Anodyne COc1cc2c(cn1)OC[C@@]21C(=O)N(C[C@H]2CCCCO2)c2ccccc21 ZINC000103200258 FF Annotated Anodyne CCOCCOC(=O)/C(C#N)=C(\NCc1ncc(C(C)C)o1)SC ZINC000103200522 FF Annotated Reactive CSc1nn(-c2ccccc2)c2nc3n(-c4ccccc4)cnn3c(=O)c12 ZINC000103201112 FF Annotated Anodyne COc1ccc(-c2cc(-c3cccn3C)c(C#N)c(=O)n2N=O)cc1OC ZINC000103201872 FF Annotated Mild CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](OC(C)=O)CC[C@@]2(C)[C@@]12CO2 ZINC000103202015 FF Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4C)CC3)c3nnc(N)n3c2c1 ZINC000103204494 FF Annotated Anodyne CCO[C@@H]1C[C@H](C)C([N+](=O)[O-])=C(N(C)Cc2ccc(Cl)nc2)N1C ZINC000103204806 FF Annotated Anodyne CCO[C@H]1C[C@H](C)C([N+](=O)[O-])=C(N(C)Cc2ccc(Cl)nc2)N1C ZINC000103204808 FF Annotated Anodyne CCO[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C(N(C)Cc2ccc(Cl)nc2)N1C ZINC000103204812 FF Annotated Anodyne CCO[C@H]1C[C@@H](C)C([N+](=O)[O-])=C(N(C)Cc2ccc(Cl)nc2)N1C ZINC000103204815 FF Annotated Anodyne CCn1cc(C(=O)N/N=C/c2ccccc2F)c(=O)c2ccc(C)nc21 ZINC000103209040 FF Annotated Reactive CCn1cc(C(=O)N/N=C/c2ccc(F)cc2)c(=O)c2ccc(C)nc21 ZINC000103209043 FF Annotated Reactive CCCNC(=O)c1onc(CSc2ccncc2)c1C(=O)NC(C)C ZINC000103211240 FF Annotated Anodyne C[C@@H](O)[C@H](NCCC(=O)N1c2ccccc2C=Cc2ccccc21)C(=O)O ZINC000103211976 FF Annotated Anodyne CCC1(CC)C[C@H](CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)OC1=O ZINC000103212813 FF Annotated Bother CCC1(CC)C[C@@H](CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)OC1=O ZINC000103212815 FF Annotated Bother CCO[C@H]1C[C@@H](CC)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C ZINC000103215046 FF Annotated Anodyne CCO[C@H]1C[C@H](CC)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C ZINC000103215048 FF Annotated Anodyne CCO[C@@H]1C[C@@H](CC)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C ZINC000103215049 FF Annotated Anodyne CCO[C@@H]1C[C@H](CC)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C ZINC000103215053 FF Annotated Anodyne CCO[C@@H]1C[C@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1CC ZINC000103215072 FF Annotated Anodyne CCO[C@H]1C[C@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1CC ZINC000103215074 FF Annotated Anodyne O=C(Nc1cc(Cl)ccc1Cl)NS(=O)(=O)[C@@H]1CCCCC1=O ZINC000103215793 FF Annotated Anodyne O=C(Nc1cc(Cl)ccc1Cl)NS(=O)(=O)[C@H]1CCCCC1=O ZINC000103215795 FF Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)NS(=O)(=O)[C@@H]1CCCCC1=O ZINC000103215812 FF Annotated Anodyne O=C(Nc1ccc(Cl)c(Cl)c1)NS(=O)(=O)[C@H]1CCCCC1=O ZINC000103215814 FF Annotated Anodyne C(=N/CCCN1CCN(CCC/N=C/c2ccco2)CC1)\c1ccco1 ZINC000103215872 FF Annotated Mild CCn1ncc(OCc2nnc(-c3ccc(F)cc3)o2)c(Cl)c1=O ZINC000103215886 FF Annotated Anodyne CC(C)(C)n1ncc(OCc2nnc(-c3ccco3)o2)c(Cl)c1=O ZINC000103215964 FF Annotated Anodyne O=C(NCc1nn2c(COc3ccccc3)nnc2s1)c1ccccc1 ZINC000103216212 FF Annotated Anodyne CC[C@@H]1C[C@H](OC)N(CC)C(NCc2ccc(Cl)nc2)=C1[N+](=O)[O-] ZINC000103216395 FF Annotated Anodyne CC[C@H]1C[C@H](OC)N(CC)C(NCc2ccc(Cl)nc2)=C1[N+](=O)[O-] ZINC000103216397 FF Annotated Anodyne CC[C@@H]1C[C@@H](OC)N(CC)C(NCc2ccc(Cl)nc2)=C1[N+](=O)[O-] ZINC000103216398 FF Annotated Anodyne CC[C@H]1C[C@@H](OC)N(CC)C(NCc2ccc(Cl)nc2)=C1[N+](=O)[O-] ZINC000103216400 FF Annotated Anodyne CCCO[C@@H]1C[C@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C ZINC000103216422 FF Annotated Anodyne CCCO[C@H]1C[C@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C ZINC000103216425 FF Annotated Anodyne CCCO[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C ZINC000103216426 FF Annotated Anodyne CCCO[C@H]1C[C@@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C ZINC000103216429 FF Annotated Anodyne CC(C)O[C@H]1C[C@@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C ZINC000103216433 FF Annotated Anodyne CC(C)O[C@H]1C[C@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C ZINC000103216437 FF Annotated Anodyne CC(C)O[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C ZINC000103216439 FF Annotated Anodyne CC(C)O[C@@H]1C[C@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1C ZINC000103216441 FF Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])[C@H](C)C[C@H](OC)N1C ZINC000103216524 FF Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])[C@@H](C)C[C@H](OC)N1C ZINC000103216526 FF Annotated Anodyne CCOCCOC(=O)/C(C#N)=C(\NCc1cnc(OCC)s1)C(C)C ZINC000103216718 FF Annotated Reactive O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@@H](Cl)[C@H]1c1ccco1 ZINC000103219541 FF Annotated Reactive O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@@H](Cl)[C@@H]1c1ccco1 ZINC000103219543 FF Annotated Reactive O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@H](Cl)[C@H]1c1ccco1 ZINC000103219545 FF Annotated Reactive O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@H](Cl)[C@@H]1c1ccco1 ZINC000103219547 FF Annotated Reactive O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)CS[C@@H]1c1ccccc1O ZINC000103219566 FF Annotated Mild O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)CS[C@H]1c1ccccc1O ZINC000103219568 FF Annotated Mild O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)CS[C@@H]1c1ccc(O)cc1 ZINC000103219571 FF Annotated Mild O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)CS[C@H]1c1ccc(O)cc1 ZINC000103219574 FF Annotated Mild C#CCO/N=C/c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1 ZINC000103219786 FF Annotated Mild Cc1nn(CC(F)(F)F)c(CS(=O)(=O)C2=NOC(C)(C)C2)c1Cl ZINC000103220294 FF Annotated Anodyne CCOCCOC(=O)/C(C#N)=C(\NCc1cc(C(C)C)no1)SC ZINC000103220917 FF Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\NCc1cnc(Cl)s1)C(C)C ZINC000103220951 FF Annotated Reactive CC1=NN(CC(=O)N/N=C(\C)c2ccc(Cl)cc2Cl)C(=O)CC1 ZINC000103221523 FF Annotated Reactive CCOCCOC(=O)/C(C#N)=C(/NCc1ccc(Cl)nc1)SC ZINC000103222199 FF Annotated Reactive CSc1nn(-c2ccccc2)c2nc(Nc3ccccc3)n(N)c(=O)c12 ZINC000103222772 FF Annotated Anodyne CCCN1C[C@H](Cn2cc(Cl)cn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 ZINC000103224192 FF Annotated Anodyne CCCN1C[C@@H](Cn2cc(Cl)cn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 ZINC000103224207 FF Annotated Anodyne COC(=O)c1cc2c(OC[C@@H](N)Cc3ccccc3)ccc(OC)c2n1C ZINC000103224958 FF Annotated Anodyne COC(=O)c1cc2c(OC[C@H](N)Cc3ccccc3)ccc(OC)c2n1C ZINC000103224960 FF Annotated Anodyne C/C1=C\[C@@H]2O[C@@H](O)[C@@]3(C)O[C@@]23CC/C(C)=C/CC[C@](C)(O)[C@H](O)CC1 ZINC000103225752 FF Annotated Anodyne C/C1=C\[C@@H]2O[C@@H](O)[C@@]3(C)O[C@@]23CC/C(C)=C/CC[C@](C)(O)[C@@H](O)CC1 ZINC000103225758 FF Annotated Anodyne CO/N=C(\N)c1ccc(-c2cc(-c3cccc(/C(N)=N/OC)c3)no2)cc1 ZINC000103226139 FF Annotated Mild N/C(=N\O)c1cccc(-c2cc(-c3ccc(/C(N)=N/O)cc3Cl)on2)c1 ZINC000103226141 FF Annotated Mild CO/N=C(\N)c1ccc(-c2cc(-c3cccc(/C(N)=N/OC)c3)on2)cc1 ZINC000103226163 FF Annotated Mild CCOC(=O)c1ccc2c(c1)nc(-c1ccc3c(c1)OCO3)n2CCO ZINC000103226373 FF Annotated Anodyne Sc1nnc(-c2cnccn2)n1/N=C/c1ccc(Br)cc1 ZINC000103226590 FF Annotated Mild C/C=C1\CN2CC[C@]34c5ccccc5-n5c3c(cc(C(=O)OC)c5=O)[C@H]1C[C@H]24 ZINC000103227600 FF Annotated Anodyne CO/N=C(\N)c1ccc(-c2cc(-c3ccc(/C(N)=N/OC)cc3)on2)cc1 ZINC000103228008 FF Annotated Mild N/C(=N\O)c1ccc(-c2cc(-c3ccc(/C(N)=N/O)cc3Cl)on2)cc1 ZINC000103228011 FF Annotated Mild COc1ccc2c(=O)c3cc(C(=O)N[C@@H](CO)C(C)C)ccc3oc2c1 ZINC000103228851 FF Annotated Bother CCc1ccc(/C=C(C#N)/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 ZINC000103229556 FF Annotated Reactive COc1ccc(-n2nnc(C#N)c2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000103230346 FF Annotated Mild COc1ccc(-c2c(C#N)nnn2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000103230359 FF Annotated Mild CCC[C@H](O[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103231531 FF Annotated Anodyne CCC[C@@H](O[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103231533 FF Annotated Anodyne O=C1C=C(NCCc2cccc(Br)c2)C(=O)c2ncccc21 ZINC000103234330 FF Annotated Mild COc1ccc(N)cc1-c1nc([C@H]2SC[C@@H](C(=O)O)N2C)cs1 ZINC000103234756 FF Annotated Anodyne COc1ccc(N)cc1-c1nc([C@@H]2SC[C@@H](C(=O)O)N2C)cs1 ZINC000103234761 FF Annotated Anodyne COc1cc(NS(=O)(=O)c2ccco2)ccc1-n1cnc(Cl)c1 ZINC000103235426 FF Annotated Anodyne Cc1c(O)c(O)c(O)c(C=O)c1-c1cc2c(C=O)c(C)c(O)c(O)c2o1 ZINC000103236203 FF Annotated Clean O=C(NOCc1ccc(Cl)cc1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000103236702 FF Annotated Anodyne CCN1Cc2cc(-c3ccc(/C=C4/NC(=S)NC4=O)s3)ccc2C1=O ZINC000103237710 FF Annotated Anodyne COC1=CC(=O)C(C[C@H](C)[C@H](C)Cc2cc3c(cc2O)OCO3)=CC1=O ZINC000103237800 FF Annotated Mild NCC1(c2ccc(Cl)c(Cl)c2)CCN(c2cc(N)ncn2)CC1 ZINC000103238971 FF Annotated Anodyne COC1=CC(=O)O[C@H](c2coc(/C(=C/c3ccc(Cl)[nH]3)CO)n2)[C@@H]1C ZINC000103239332 FF Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CCN(C(=O)[C@H]3C[C@@H]3c3cccnc3)C2)C1 ZINC000103241039 FF Annotated Anodyne Nc1nc(Nc2ccc(Cl)cc2)nc(C(=O)NNc2ccccc2)n1 ZINC000103241510 FF Annotated Reactive COc1cccc(-c2cnnn2-c2ccc3c(c2)C=CS(=O)(=O)O3)c1 ZINC000103241908 FF Annotated Anodyne C/C(=N\NC(=O)c1ccncc1)c1cccc(CN2CCCCC2)c1O ZINC000103242071 FF Annotated Reactive NC(=O)C[S@@](=O)[C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000103246729 FF Annotated Anodyne NC(=O)C[S@@](=O)[C@H](c1ccccc1)c1cccc(Br)c1 ZINC000103246733 FF Annotated Anodyne NC(=O)C[S@](=O)[C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000103246735 FF Annotated Anodyne NC(=O)C[S@](=O)[C@H](c1ccccc1)c1cccc(Br)c1 ZINC000103246737 FF Annotated Anodyne Cc1nc([C@@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)s1 ZINC000103246998 FF Annotated Anodyne Cc1nc([C@@H]2CCCO2)c(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 ZINC000103247005 FF Annotated Anodyne Cc1nc([C@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)s1 ZINC000103247008 FF Annotated Anodyne Cc1nc([C@H]2CCCO2)c(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 ZINC000103247017 FF Annotated Anodyne COc1ncnc(Cn2cc(C(=O)NC[C@H](C)F)c3ncc(C)cc32)c1C ZINC000103248972 FF Annotated Anodyne C[N+]1(CCCS(=O)(=O)Cc2ccc(Br)cc2)CCCC1 ZINC000103249166 FF Annotated Bother CCOP(=O)(OCC)[C@H]1C(C#N)=C(N)Oc2ccc([N+](=O)[O-])cc21 ZINC000103249371 FF Annotated Reactive CCOP(=O)(OCC)[C@@H]1C(C#N)=C(N)Oc2ccc([N+](=O)[O-])cc21 ZINC000103249372 FF Annotated Reactive COc1cccc2[nH]c3c([C@H]4[C@H](C(C)(C)O)CC[C@@]4(O)CO)nccc3c12 ZINC000103250825 FF Annotated Anodyne CN1CCC(Cn2nc(-c3ccc4ccccc4c3)c(C(N)=O)c2N)CC1 ZINC000103252515 FF Annotated Anodyne CCOc1ccc2nc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)ccc2c1 ZINC000103252546 FF Annotated Anodyne CCN(CC)C[C@H](O)Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000103253502 FF Annotated Anodyne CCN(CC)C[C@@H](O)Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000103253505 FF Annotated Anodyne CCC(CC)C(=O)Nc1cc(NC(=O)C(C)C)c(N)cc1OCC(=O)O ZINC000103253689 FF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-c3ccc4ccnn4c3)c(F)c2)C(=O)O1 ZINC000103255117 FF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-c3ccc4cncn4c3)c(F)c2)C(=O)O1 ZINC000103255119 FF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-c3ccc4nccn4c3)c(F)c2)C(=O)O1 ZINC000103255122 FF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-c3ccn4ccnc4c3)c(F)c2)C(=O)O1 ZINC000103255126 FF Annotated Anodyne CN(C)c1ccc(-c2cn(CCCCCn3cccc(O)c3=O)nn2)cc1 ZINC000103255676 FF Annotated Anodyne Nc1c(Cl)cc(C(=O)OCC2CCN(CCF)CC2)c2c1OCCO2 ZINC000103255766 FF Annotated Anodyne O=C(C[C@@]1(O)C(=O)Nc2ccc(O)cc21)c1ccc(C(F)(F)F)cc1 ZINC000103256297 FF Annotated Anodyne O=C(C[C@]1(O)C(=O)Nc2ccc(O)cc21)c1ccc(C(F)(F)F)cc1 ZINC000103256298 FF Annotated Anodyne O=C(C[C@@]1(O)C(=O)Nc2ccc(O)cc21)c1ccc(Br)cc1 ZINC000103256301 FF Annotated Anodyne O=C(C[C@]1(O)C(=O)Nc2ccc(O)cc21)c1ccc(Br)cc1 ZINC000103256305 FF Annotated Anodyne Cc1ccc2cc1C(=O)N[C@H](C(=O)O)Cc1cccc(c1)OC/C=C/CO2 ZINC000103258335 FF Annotated Anodyne O=C1N[C@H](C(=O)O)Cc2cccc(c2)OC/C=C/COc2ccc1c(F)c2 ZINC000103258338 FF Annotated Anodyne O=C1N[C@H](C(=O)O)Cc2cccc(c2)OC/C=C/COc2cccc(F)c21 ZINC000103259020 FF Annotated Anodyne O=C1N[C@H](C(=O)O)Cc2cccc(c2)OCCCCOc2cccc(F)c21 ZINC000103259023 FF Annotated Anodyne COc1ncc(-c2cc3c(C)nc(N)cc3n(C3CCCC3)c2=O)cn1 ZINC000103260625 FF Annotated Anodyne C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](OCOC)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000103260658 FF Annotated Mild CCN(CC)C(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12 ZINC000103262435 FF Annotated Anodyne C[C@@H]1CCCN1C(=O)c1nn(C)c2nc(OCc3ccccn3)ccc12 ZINC000103262439 FF Annotated Anodyne O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccc(Cl)cc3)ccc2O1 ZINC000103262772 FF Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cncnc3)c(=O)n(C(C)C)c2s1 ZINC000103263652 FF Annotated Anodyne Cc1ccc(CNC[C@]2(O)C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2)nc1 ZINC000103264125 FF Annotated Anodyne O=C(O)CCC(=O)C1=C(O)c2ccc(Cl)cc2C2(CCOCC2)C1=O ZINC000103265037 FF Annotated Mild O=C1CSC(=S)N1Cc1nnc(-c2cccc(Br)c2)o1 ZINC000103265638 FF Annotated Clean O=C1CSC(=S)N1Cc1nnc(-c2ccc(Br)cc2)o1 ZINC000103265648 FF Annotated Clean O=C1CSC(=S)N1Cc1nnc(-c2ccccc2Br)o1 ZINC000103265654 FF Annotated Clean O[C@@H]1[C@@H](OCC2CCC2)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000103268981 FF Annotated Anodyne C#CCCCCO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O)[C@@H]23)OCO5 ZINC000103269027 FF Annotated Mild COc1cc(CCNCCCN)c(Br)cc1Br ZINC000103269925 FF Annotated Anodyne COc1cc(CCNCCCO)c(Br)cc1Br ZINC000103269927 FF Annotated Anodyne CN(C)CCCNCc1cc(O)c(Br)cc1Br ZINC000103269971 FF Annotated Anodyne O=c1cc(-n2cc(COc3ccc(F)cc3)nn2)c2cc(O)ccc2o1 ZINC000103271646 FF Annotated Anodyne CCc1ccc(CCOc2ccc(C3=NO[C@H](C(=O)OC)C3)cc2)nc1 ZINC000103272589 FF Annotated Anodyne CCc1ccc(CCOc2ccc(C3=NO[C@@H](C(=O)OC)C3)cc2)nc1 ZINC000103272590 FF Annotated Anodyne Cc1cc(=O)[nH]c2cc(NC(=O)c3c([N+](=O)[O-])cccc3[N+](=O)[O-])ccc12 ZINC000103272933 FF Annotated Bother CCOC(=O)C(=O)CC(=O)/C=C/c1cccn1Cc1cccc(F)c1F ZINC000103273798 FF Annotated Mild Nn1c(Sc2ccc(S(=O)(=O)Cl)cc2)nnc1-c1ccccc1 ZINC000103274230 FF Annotated Unstable O=C1[C@H]([C@@H](O)c2ccc3c(c2)OCCO3)CCCN1Cc1ccccc1 ZINC000103275031 FF Annotated Anodyne O=C1[C@@H]([C@@H](O)c2ccc3c(c2)OCCO3)CCCN1Cc1ccccc1 ZINC000103275033 FF Annotated Anodyne CSCC1CC(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)C1 ZINC000103275191 FF Annotated Bother O=C1C(=O)c2c(nc3ccccn23)C(Br)=C1Br ZINC000103275901 FF Annotated Mild CN1C(=O)CN(c2ccc(Cl)cc2)C(=O)c2c1c(C#N)c1n2CCC1 ZINC000103276959 FF Annotated Mild CCOP(=O)(CCCCn1cc(Cn2ccccc2=O)nn1)OCC ZINC000103279813 FF Annotated Anodyne COc1ccc(-n2nc(C)n(-c3nnc(-c4ccccc4)s3)c2=O)cc1 ZINC000103280859 FF Annotated Anodyne Oc1on[n+](-c2ccccc2)c1/C=N/c1nnc(-c2ccccc2)s1 ZINC000103280873 FF Annotated Mild Cc1noc(C)c1S(=O)(=O)NCc1ccc(-c2cncc(C#N)c2)cc1 ZINC000103281445 FF Annotated Mild C[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C(C)(C)C)c3c2)C[C@@H](C)N1 ZINC000103282151 FF Annotated Anodyne C[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C(C)(C)C)c3c2)C[C@H](C)N1 ZINC000103282154 FF Annotated Anodyne C[C@@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C(C)(C)C)c3c2)C[C@@H](C)N1 ZINC000103282157 FF Annotated Anodyne CNC[C@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C(C)(C)C)c3c2)C1 ZINC000103282241 FF Annotated Anodyne CNC[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C(C)(C)C)c3c2)C1 ZINC000103282245 FF Annotated Anodyne C[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CCC4)c3c2)C[C@@H](C)N1 ZINC000103282371 FF Annotated Anodyne C[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CCC4)c3c2)C[C@H](C)N1 ZINC000103282373 FF Annotated Anodyne C[C@@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CCC4)c3c2)C[C@@H](C)N1 ZINC000103282375 FF Annotated Anodyne CCN1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CCC4)c3c2)CC1 ZINC000103282378 FF Annotated Anodyne O=C1[C@@H]([C@H](O)c2ccc3c(c2)OCCO3)CCCN1Cc1ccccc1 ZINC000103282519 FF Annotated Anodyne O=C1[C@H]([C@H](O)c2ccc3c(c2)OCCO3)CCCN1Cc1ccccc1 ZINC000103282521 FF Annotated Anodyne CCOCCOC(=O)/C(C#N)=C(\NCc1cnc(Cl)s1)SC ZINC000103283008 FF Annotated Reactive Cc1nccn1-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000103283306 FF Annotated Anodyne CC(C)N1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC1 ZINC000103284756 FF Annotated Anodyne CC(C)NC[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1 ZINC000103284820 FF Annotated Anodyne CC(C)NC[C@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1 ZINC000103284822 FF Annotated Anodyne COc1ccc2[nH]c(=O)c([C@@H]3NC(=O)NC4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000103285152 FF Annotated Mild COc1ccc2[nH]c(=O)c([C@H]3NC(=O)NC4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000103285155 FF Annotated Mild O=C1CCCC2=C1[C@@H](c1cc3cc(Cl)ccc3[nH]c1=O)NC(=S)N2 ZINC000103286882 FF Annotated Mild O=C1CCCC2=C1[C@H](c1cc3cc(Cl)ccc3[nH]c1=O)NC(=S)N2 ZINC000103286884 FF Annotated Mild COC(=O)N1[C@H]2CC[C@@H]1C[C@@](O)(C#Cc1cccc(OC(F)F)c1)C2 ZINC000103287307 FF Annotated Mild O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@@H]1[C@H](C[N+](=O)[O-])c1ccc(F)cc1 ZINC000103287917 FF Annotated Clean O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@@H]1[C@@H](C[N+](=O)[O-])c1ccc(F)cc1 ZINC000103287919 FF Annotated Clean O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@H]1[C@H](C[N+](=O)[O-])c1ccc(F)cc1 ZINC000103287922 FF Annotated Clean O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@H]1[C@@H](C[N+](=O)[O-])c1ccc(F)cc1 ZINC000103287926 FF Annotated Clean C[C@H]1CC[C@@]23C(=O)O[C@@H](C[C@H]2[C@]12C[C@@H](c1ccoc1)OC2=O)[C@H]1O[C@]13C ZINC000103289193 FF Annotated Anodyne COc1cc(CNc2ccc(C3=NNC(=O)CC3)cc2)cc(OC)c1OC ZINC000103290341 FF Annotated Anodyne C/C=C1/C[N+]2(C)CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC ZINC000103290502 FF Annotated Bother C/C(=N\NC(=O)/C(C#N)=C/N(C)C)c1cc2c(ccc3ccccc32)oc1=O ZINC000103291528 FF Annotated Reactive O=C(NN1C(=O)c2ccccc2C1=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000103293961 FF Annotated Anodyne CCOC(=O)CN1C(=O)S[C@@H](Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000103294036 FF Annotated Anodyne CCOC(=O)CN1C(=O)S[C@H](Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000103294038 FF Annotated Anodyne O=C(O[C@H](Cn1nnc2ccccc21)C(=O)c1ccccc1)c1ccncc1 ZINC000103294486 FF Annotated Anodyne O=C(O[C@@H](Cn1nnc2ccccc21)C(=O)c1ccccc1)c1ccncc1 ZINC000103294487 FF Annotated Anodyne O=C(O[C@H](Cn1nnc2ccccc21)C(=O)c1ccccc1)c1cccnc1 ZINC000103294490 FF Annotated Anodyne O=C(O[C@@H](Cn1nnc2ccccc21)C(=O)c1ccccc1)c1cccnc1 ZINC000103294492 FF Annotated Anodyne CCOC(=O)C(=O)CC(=O)/C=C/c1cccn1Cc1c(F)cccc1F ZINC000103295947 FF Annotated Mild CCCCCCOC(=O)OC[C@@H]1CC[C@H](n2cnc3c(=O)nc[nH]c32)O1 ZINC000103297307 FF Annotated Anodyne CN1C[C@H](CNC(=O)c2cccnc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 ZINC000103297424 FF Annotated Clean CN1C[C@H](CNC(=O)c2ccncc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 ZINC000103297428 FF Annotated Clean CN1C[C@H](CNC(=O)c2ccccn2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 ZINC000103297431 FF Annotated Clean C[C@@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccsc1C=O ZINC000103298574 FF Annotated Anodyne C[C@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccsc1C=O ZINC000103298576 FF Annotated Anodyne CCOC(=O)CNC(=O)Cc1cccc2c(=O)c3ccc(C)c(C)c3oc12 ZINC000103299289 FF Annotated Bother CCOC(=O)CCCN1N=C2c3cc(OC)cc(OC)c3CC[C@H]2CC1=O ZINC000103301539 FF Annotated Anodyne CCOC(=O)CCCN1N=C2c3cc(OC)cc(OC)c3CC[C@@H]2CC1=O ZINC000103301541 FF Annotated Anodyne O=C1CCCC2=C1[C@H](c1ccc(F)c(F)c1)C1=C(CCS1(=O)=O)N2 ZINC000103302855 FF Annotated Mild Fc1ccc(CCOc2cncc3nnc(C4CCOCC4)n23)cc1F ZINC000103302973 FF Annotated Anodyne O=C(c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12)N1CCCC1 ZINC000103303015 FF Annotated Anodyne Cc1ccc([C@H]2C3=C(CCCC3=O)NC3=C2S(=O)(=O)CC3)cc1[N+](=O)[O-] ZINC000103303672 FF Annotated Mild CCN(CC)C(=O)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(=S)[nH]c2c1 ZINC000103390460 FF Annotated Anodyne CCN(CC)C(=O)c1ccc2c(=O)n(C[C@H]3CCCO3)c(=S)[nH]c2c1 ZINC000103390464 FF Annotated Anodyne CNC(=N)N1C=CC[C@@]2(C1)[C@@H]1CC[C@@H](C)[C@]23C[C@H](COC)C(C(=O)O)=C3C1 ZINC000103524953 FF Annotated Anodyne in-vitro biogenic O=C1COc2ccc(Cc3cc(O)n4nc(C5CCC5)cc4n3)cc2N1 ZINC000103524993 FF Annotated Anodyne CN/C1=N/CC#C[C@@H]2C[C@@H](C)[C@@]34CCC(C(=O)O)=C3C[C@@H]2[C@]42CC=CN1C2 ZINC000103524999 FF Annotated Mild in-vitro biogenic COCc1nn2c(O)cc([C@H]3CNC(=O)C3)nc2c1-c1ccc(Cl)cc1 ZINC000103525092 FF Annotated Anodyne COCc1nn2c(O)cc([C@@H]3CNC(=O)C3)nc2c1-c1ccc(Cl)cc1 ZINC000103525096 FF Annotated Anodyne CCc1nn2c(O)cc(C[C@@H]3CCC(=O)N3)nc2c1-c1ccc(F)cc1 ZINC000103525979 FF Annotated Anodyne CCc1nn2c(O)cc(C[C@H]3CCC(=O)N3)nc2c1-c1ccc(F)cc1 ZINC000103525985 FF Annotated Anodyne Cc1ccccc1[C@H]1C2=C(O)c3ccccc3C2=Nc2c1c(=O)[nH]c(=O)n2C ZINC000103529146 FF Annotated Anodyne Cc1ccccc1[C@@H]1C2=C(O)c3ccccc3C2=Nc2c1c(=O)[nH]c(=O)n2C ZINC000103529153 FF Annotated Anodyne Cc1ccc(Cl)c2c1NC(=O)[C@@H]2NNC(=O)[C@@H](C)c1ccc(O)cc1 ZINC000103529252 FF Annotated Reactive CC/N=c1\c(NS(=O)(=O)c2cccs2)c(O)oc2ccccc12 ZINC000103532135 FF Annotated Anodyne CCO/C(O)=C1\SC[C@@H](C(=O)NCc2cccc(OC)c2)N=C1C ZINC000103533318 FF Annotated Anodyne CCO/C(O)=C1\SC[C@H](C(=O)NCc2cccc(OC)c2)N=C1C ZINC000103533322 FF Annotated Anodyne O=C(Cn1ncc2c3ccccc3nc-2c1O)Nc1ccc(Cl)cn1 ZINC000103536143 FF Annotated Anodyne O=C(Cn1ncc2c3ccccc3nc-2c1O)NCCc1ccsc1 ZINC000103536192 FF Annotated Anodyne COCC1=Nc2nnnn2[C@H](c2ccc(Cl)cc2Cl)/C1=C(\O)OC ZINC000103538514 FF Annotated Anodyne COCC1=Nc2nnnn2[C@@H](c2ccc(Cl)cc2Cl)/C1=C(\O)OC ZINC000103538519 FF Annotated Anodyne COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3ncnn32)c(OC)c1OC ZINC000103538563 FF Annotated Anodyne COc1ccc([C@H]2C3=C(O)CCCC3=Nc3ncnn32)c(OC)c1OC ZINC000103538571 FF Annotated Anodyne COc1cc(OC)c([C@@H]2C3=C(O)CCCC3=Nc3ncnn32)cc1OC ZINC000103538709 FF Annotated Anodyne COc1cc(OC)c([C@H]2C3=C(O)CCCC3=Nc3ncnn32)cc1OC ZINC000103538719 FF Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cc(OC)c(OC)cc1OC ZINC000103539115 FF Annotated Anodyne CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000103539119 FF Annotated Anodyne C=CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000103539347 FF Annotated Mild C=CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(OC)c(OC)c1 ZINC000103539355 FF Annotated Mild CCC1=Nc2ncnn2[C@H](c2cc(OC)c(OC)cc2OC)/C1=C(/O)OC ZINC000103539547 FF Annotated Anodyne CCC1=Nc2ncnn2[C@@H](c2cc(OC)c(OC)cc2OC)/C1=C(/O)OC ZINC000103539551 FF Annotated Anodyne COC(=O)C1=C(O)/C(=C\c2cc3c(cc2Br)OCO3)N=C1C ZINC000103540412 FF Annotated Anodyne COC[C@H]1CC[C@H]2C1=C[C@@]1(C)C(=C(C(C)C)C[C@H]1O)[C@H](O)[C@H](O)[C@@H]2C ZINC000103541557 FF Annotated Anodyne COC[C@H]1CC[C@H]2C1=C[C@@]1(C)C(=C(C(C)C)C[C@H]1O)[C@H](O)[C@H](O)[C@H]2C ZINC000103541568 FF Annotated Anodyne CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C(=O)C(=O)[C@H](CC[C@H]12)[C@H]3O ZINC000103546315 FF Annotated Clean in-vitro biogenic Cn1c2c(c(=O)[nH]c1=O)[C@H](c1ccsc1)C1=C(O)c3ccccc3C1=N2 ZINC000103548147 FF Annotated Anodyne Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccsc1)C1=C(O)c3ccccc3C1=N2 ZINC000103548151 FF Annotated Anodyne NC(=O)/N=c1\s[nH]c(S[C@@H]2CCCCc3ccccc32)c1C(N)=O ZINC000103548884 FF Annotated Anodyne Cc1nc(N)sc1C1=N/C(=N\c2ccc(N3CCOCC3)cc2)N=CC1 ZINC000103550310 FF Annotated Mild CC(C)(C)NC(=O)[C@@H]1C(=O)CN[C@@]23CCCC[C@@H]2[C@@H]1c1ccccc1O3 ZINC000103553826 FF Annotated Anodyne CO[C@@H]1C2=C(C(=O)C(=O)C(C(C)C)=C2)[C@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O ZINC000103567779 FF Annotated Mild in-vitro biogenic CO[C@H]1C2=C(C(=O)C(=O)C(C(C)C)=C2)[C@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O ZINC000103567781 FF Annotated Mild in-vitro biogenic C/C=C1\CN2CC[C@@]34c5cc(OC)ccc5N(C)[C@@]23CC[C@H]1[C@H]4C(=O)OC ZINC000103571717 FF Annotated Clean in-vitro biogenic CCN1C[C@@H]2CC[C@H](OC)[C@@]34[C@H]5C[C@H]6C(=O)[C@H]5[C@@H](C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14 ZINC000103579636 FF Annotated Anodyne in-vitro biogenic C/C=C1\CN(C)[C@@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@H]1[C@H]2CO3 ZINC000103581749 FF Annotated Anodyne in-vitro biogenic C[C@@H](c1ccccc1)n1[nH]cc2nc(C(C)(C)CN3CCOCC3)nc1-2 ZINC000103585807 FF Annotated Anodyne C[C@H](c1ccccc1)n1[nH]cc2nc(C(C)(C)CN3CCOCC3)nc1-2 ZINC000103585812 FF Annotated Anodyne C=C1C[C@@]23C[C@@]4(O)[C@@H]5[C@@]6(C)CCC[C@@]57[C@H]2[C@H](OC(C)=O)[C@H]1C[C@H]3[C@H]7N4C6 ZINC000103586124 FF Annotated Mild in-vitro biogenic CCCCOC(=O)[C@@H]1C=C(C(=O)O)c2cccc(/C(O)=C\C(=O)O)c2C1 ZINC000103587158 FF Annotated Anodyne in-vitro biogenic Cc1cccc(Cn2[nH]c(C)c3nc(-c4c(C)nn(CCO)c4C)nc2-3)c1 ZINC000103590294 FF Annotated Anodyne CN1CCC(n2[nH]cc3nc(-c4cncn4Cc4ccccc4)nc2-3)CC1 ZINC000103594607 FF Annotated Anodyne O=S(=O)(Cl)c1cc(C(F)(F)F)cc(I)n1 ZINC000103604959 FF Annotated Unstable O=S(=O)(Cl)c1cc(I)cc(C(F)(F)F)n1 ZINC000103605346 FF Annotated Unstable O=S(=O)(Cl)c1cc(I)nc(C(F)(F)F)c1 ZINC000103605639 FF Annotated Unstable CC(C)Cn1c2c(c(O)nc1=O)[C@H](c1ccc(F)cc1)C1=C(O)OCC1=N2 ZINC000103635654 FF Annotated Anodyne CC(C)Cn1c2c(c(O)nc1=O)[C@@H](c1ccc(F)cc1)C1=C(O)OCC1=N2 ZINC000103635663 FF Annotated Anodyne Cc1cccc([C@H]2C3=C(O)OCC3=Nc3c2c(O)nc(=O)n3CC(C)C)c1 ZINC000103635745 FF Annotated Anodyne Cc1cccc([C@@H]2C3=C(O)OCC3=Nc3c2c(O)nc(=O)n3CC(C)C)c1 ZINC000103635750 FF Annotated Anodyne COc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2C)c(OC)c1 ZINC000103649814 FF Annotated Mild COc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2C)c(OC)c1 ZINC000103649819 FF Annotated Mild CC1=C/C(=C2\NNC=C2C(=O)c2ccc(Br)cc2)C(=O)C=C1 ZINC000103658608 FF Annotated Mild CC/N=c1\c(NS(=O)(=O)c2cccc(F)c2)c(O)oc2ccccc12 ZINC000103673170 FF Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2C(=O)N[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 ZINC000103679778 FF Annotated Anodyne CCOC(=O)C(C)(C)Sc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1 ZINC000103693880 FF Annotated Anodyne Cc1nc2nc(N(Cc3ccccc3)C(=O)c3ccco3)nn2c(O)c1C ZINC000103703317 FF Annotated Anodyne Cc1cccc(CCNC(=O)Cn2[nH]cc3c4cc(C)ccc4nc-3c2=O)c1 ZINC000103710496 FF Annotated Anodyne COc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2C)cc1OC ZINC000103723254 FF Annotated Mild COc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2C)cc1OC ZINC000103723257 FF Annotated Mild O=C1C=CC(=C2C[C@H](c3ccco3)N(S(=O)(=O)c3ccccc3)N2)C=C1 ZINC000103750335 FF Annotated Mild O=C1C=CC(=C2C[C@@H](c3ccco3)N(S(=O)(=O)c3ccccc3)N2)C=C1 ZINC000103750342 FF Annotated Mild CC(C)(C)C(=O)/C=c1/nc(O)/c(=C/c2ccccc2OC(F)F)s1 ZINC000103751824 FF Annotated Anodyne Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@@H](C(=O)NCc2ccco2)N(C)[C@H]31 ZINC000103752637 FF Annotated Anodyne CC(C)(C)C(=O)/C=c1/nc(O)/c(=C\c2ccccc2OC(F)(F)F)s1 ZINC000103754037 FF Annotated Anodyne C=C(C)COC1=CC(=O)/C(=C2/NC(N)=NC=C2c2ccccc2OC)C=C1 ZINC000103756089 FF Annotated Mild COCCCN/C=C1\C(=O)N(c2ccc(Br)c(C)c2)N=C1C ZINC000103838296 FF Annotated Clean C=CCO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@@H]1c1ccc(O)cc1 ZINC000103876045 FF Annotated Mild C=CCO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@H]1c1ccc(O)cc1 ZINC000103876048 FF Annotated Mild Cc1cc(NC(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)N2C)no1 ZINC000103917522 FF Annotated Anodyne CCOC1=CC(=O)/C(=C2\NC=NC=C2c2ccc(OC)c(OC)c2)C=C1 ZINC000103918450 FF Annotated Mild Cc1ccc(S(=O)(=O)N/C=C2\C=C(Br)C=CC2=O)cc1 ZINC000103919129 FF Annotated Mild CC1=Nc2ncnn2[C@H](c2ccc(O)c([N+](=O)[O-])c2)/C1=C(\O)OC(C)C ZINC000103936920 FF Annotated Bother CC1=Nc2ncnn2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)/C1=C(\O)OC(C)C ZINC000103936925 FF Annotated Bother Cc1cc(C)c2c3n(nc2n1)C(=O)NC(C(F)(F)F)(C(F)(F)F)N3 ZINC000103946813 FF Annotated Anodyne CC1(C)C(=O)C(C)(C)C12SC[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000103948552 FF Annotated Anodyne CC1(C)C(=O)C(C)(C)C12SC[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000103948558 FF Annotated Anodyne CC1(C)C(=O)C(C)(C)C12SC[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000103948564 FF Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4cccnc4)[C@H]3[C@@H]3O[C@]132 ZINC000103949842 FF Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4cccnc4)[C@H]3[C@H]3O[C@@]132 ZINC000103949846 FF Annotated Anodyne N1=Nc2nonc2N=Nc2nonc2Oc2nonc2N=Nc2nonc21 ZINC000103950816 FF Annotated Anodyne CC1=Nc2ccccc2/C1=C/NNC(=O)CCC(=O)NCc1ccccc1 ZINC000103981117 FF Annotated Reactive CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(CCOC)[C@H]2c2ccco2)c1 ZINC000103990218 FF Annotated Mild CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(CCOC)[C@@H]2c2ccco2)c1 ZINC000103990224 FF Annotated Mild CCOC(=O)c1c(N/C=C2\C=CC(OC)=CC2=O)sc2c1CCN(C)C2 ZINC000103990722 FF Annotated Mild O=C1C=CC=C/C1=C(/Nc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000103990764 FF Annotated Mild O=C1C([N+](=O)[O-])=Cc2oc3c(c2/C1=C/NCc1ccncc1)CCCC3 ZINC000103990777 FF Annotated Mild CC1=N[C@]2(O)c3ccccc3C(=O)[C@]2(O)/C1=C(\O)OC1CCCCCC1 ZINC000103996942 FF Annotated Anodyne CC1=N[C@@]2(O)c3ccccc3C(=O)[C@]2(O)/C1=C(\O)OC1CCCCCC1 ZINC000103996947 FF Annotated Anodyne CC1=N[C@]2(O)c3ccccc3C(=O)[C@@]2(O)/C1=C(\O)OC1CCCCCC1 ZINC000103996952 FF Annotated Anodyne CC1=N[C@@]2(O)c3ccccc3C(=O)[C@@]2(O)/C1=C(\O)OC1CCCCCC1 ZINC000103996957 FF Annotated Anodyne C/C=C1/CN2[C@H]3Cc4c(n(C)c5ccccc45)[C@H]2C[C@@H]1[C@@]3(CO)C(=O)OC ZINC000104000593 FF Annotated Anodyne C/C(NNS(=O)(=O)c1ccccc1)=C1/C=C(Cl)C=C(Cl)C1=O ZINC000104000777 FF Annotated Mild Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C[C@@H](C)O)[C@H]2c2cccc(F)c2)cc1 ZINC000104001334 FF Annotated Mild Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C[C@@H](C)O)[C@@H]2c2cccc(F)c2)cc1 ZINC000104001338 FF Annotated Mild Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C[C@H](C)O)[C@H]2c2cccc(F)c2)cc1 ZINC000104001342 FF Annotated Mild Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C[C@H](C)O)[C@@H]2c2cccc(F)c2)cc1 ZINC000104001346 FF Annotated Mild O=C1C([N+](=O)[O-])=CC(Br)=C/C1=C\Nc1ccc2c(c1)OCO2 ZINC000104003727 FF Annotated Mild COC(=O)[C@](O)(c1ccc(N/C=C2\C=CC=CC2=O)c(C)c1)C(F)(F)F ZINC000104003913 FF Annotated Mild COC(=O)[C@@](O)(c1ccc(N/C=C2\C=CC=CC2=O)c(C)c1)C(F)(F)F ZINC000104003918 FF Annotated Mild CC(C)NC(=O)C1=CNN2C1=N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000104005078 FF Annotated Anodyne CC(C)NC(=O)C1=CNN2C1=N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000104005083 FF Annotated Anodyne CC(C)NC(=O)C1=CNN2C1=N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000104005089 FF Annotated Anodyne CC(C)NC(=O)C1=CNN2C1=N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000104005094 FF Annotated Anodyne CC1=CC2=c3cccc(C)c3=N[C@@H](c3cn(-c4ccccc4)nc3C)N2N1 ZINC000104005878 FF Annotated Anodyne CC1=CC2=c3cccc(C)c3=N[C@H](c3cn(-c4ccccc4)nc3C)N2N1 ZINC000104005883 FF Annotated Anodyne O=C(Nc1ccccc1)C1=CC2=N[C@H](C3CC3)C[C@H](C(F)(F)F)N2N1 ZINC000104008501 FF Annotated Anodyne O=C(Nc1ccccc1)C1=CC2=N[C@@H](C3CC3)C[C@H](C(F)(F)F)N2N1 ZINC000104008506 FF Annotated Anodyne O=C(Nc1ccccc1)C1=CC2=N[C@H](C3CC3)C[C@@H](C(F)(F)F)N2N1 ZINC000104008509 FF Annotated Anodyne O=C(Nc1ccccc1)C1=CC2=N[C@@H](C3CC3)C[C@@H](C(F)(F)F)N2N1 ZINC000104008515 FF Annotated Anodyne O=C1C=CC(=C/C=C2/N/C(=C3/C=CC=CC3=O)N(c3ccccc3)N2)C=C1 ZINC000104014962 FF Annotated Mild COC1=CC(=O)/C(=C2/C[C@H](c3cc(Cl)cc4c3OCOC4)NN2)C=C1 ZINC000104015040 FF Annotated Mild COC1=CC(=O)/C(=C2/C[C@@H](c3cc(Cl)cc4c3OCOC4)NN2)C=C1 ZINC000104015044 FF Annotated Mild O=C1C=CC(Br)=C/C1=C1/NNC(=S)N1Cc1ccccc1 ZINC000104015200 FF Annotated Mild COc1ccccc1NC(=O)CCSC1=NNC(=C2C=CC(=O)C=C2)O1 ZINC000104020069 FF Annotated Mild COC1=CC=C/C(=C2\N=C(NCc3cccnc3)c3ccccc3N2)C1=O ZINC000104020323 FF Annotated Mild CCN1C(SCC(=O)Nc2ccc(C)cc2)=NNC1=C1C=CC(=O)C=C1 ZINC000104024853 FF Annotated Mild CCCC1=C/C(=C2/NC(N)=NC=C2c2csc(C)n2)C(=O)C=C1OC ZINC000104025163 FF Annotated Mild O=C1C=CC=C/C1=C1\NNC2=C1[C@@H](c1ccccc1)N(Cc1ccco1)C2=O ZINC000104028030 FF Annotated Mild O=C1C=CC=C/C1=C1\NNC2=C1[C@H](c1ccccc1)N(Cc1ccco1)C2=O ZINC000104028034 FF Annotated Mild CCCOC(=O)c1ccc(OC2=C(C)NN/C2=C2\C=CC(=O)C=C2O)cc1 ZINC000104028425 FF Annotated Mild Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000104034410 FF Annotated Mild Cc1ccc(/C(O)=C2\C(=O)C(=O)N(C)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000104034416 FF Annotated Mild CC1=CC=CN2C(=O)C(=C/Nc3ccc(Cl)cc3)/C(=N\CCO)N=C12 ZINC000104036590 FF Annotated Mild CN1C(SCC(=O)NCc2ccco2)=NN/C1=C1\C=Nc2ccccc21 ZINC000104037352 FF Annotated Anodyne CCOC(=O)CCc1c(C)nc2cc(-c3ccccc3OC)[nH]n2c1=O ZINC000104040163 FF Annotated Anodyne O=C(CSc1n[nH]c2c3ccccc3nc-2n1)NCCc1ccccc1 ZINC000104048426 FF Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(OC)cc1OC ZINC000104059998 FF Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(OC)cc1OC ZINC000104060003 FF Annotated Anodyne CO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(Br)cc1 ZINC000104079132 FF Annotated Anodyne CO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(Br)cc1 ZINC000104079136 FF Annotated Anodyne O=C1[C@H]2[C@H]3CC[C@@H](C3NCc3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 ZINC000104086033 FF Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1Cl)C1=C(O)CCCC1=N2 ZINC000104091803 FF Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1Cl)C1=C(O)CCCC1=N2 ZINC000104091808 FF Annotated Anodyne Cc1cccc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000104100907 FF Annotated Anodyne Cc1cccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000104100909 FF Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cc(OC)ccc1OC ZINC000104115964 FF Annotated Anodyne CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cc(OC)ccc1OC ZINC000104115969 FF Annotated Anodyne CC(C)c1ccc(S(=O)(=O)c2n[nH]n3c2nc(=O)c2ccccc23)cc1 ZINC000104194992 FF Annotated Anodyne O=C(COC(=O)[C@H]1C[C@@H]2C=C[C@@H]1C2)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000104267359 FF Annotated Anodyne O=C(COC(=O)[C@H]1C[C@H]2C=C[C@@H]1C2)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000104267363 FF Annotated Anodyne O=C(COC(=O)[C@@H]1C[C@@H]2C=C[C@@H]1C2)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000104267368 FF Annotated Anodyne O=C1c2nc3cc(-c4ccccc4)[nH]n3c(=O)c2CN1Cc1ccccc1 ZINC000104305201 FF Annotated Anodyne CCOc1ccccc1CN1CCN(Cc2ccccn2)C[C@H]1CCO ZINC000104348973 FF Annotated Anodyne CC(=O)/C=C/[C@H]1[C@](C)(O)[C@@H](OC(C)=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@@]21C ZINC000104367234 FF Annotated Mild in-man CC(=O)O[C@H]1C/C=C(\C)C[C@@H](OC(C)=O)[C@@H]2[C@H](/C=C/1C)OC(=O)[C@H]2C ZINC000104370380 FF Annotated Anodyne in-man CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN(C2=O)[C@H]13 ZINC000104374963 FF Annotated Anodyne CC(C)CCN1CCN(Cc2coc3ccccc3c2=O)C[C@H]1CCO ZINC000104407204 FF Annotated Anodyne CCCCNC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 ZINC000104440184 FF Annotated Anodyne CC(C)CCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000104462983 FF Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1)C1=C(O)c3ccccc3C1=N2 ZINC000104693923 FF Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1)C1=C(O)c3ccccc3C1=N2 ZINC000104693927 FF Annotated Anodyne COc1ccc(N2C(=O)C[C@H](Sc3nc(C)ccc3C#N)C2=O)cc1 ZINC000104694441 FF Annotated Mild Cc1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000104696153 FF Annotated Anodyne Cc1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000104696158 FF Annotated Anodyne CC(C)=C1C[C@H]2[C@](C)(O)[C@H](OC(=O)[C@@]3(C)O[C@@H]3C)CC[C@]2(C)CC1=O ZINC000105154777 FF Annotated Mild N#CC1=C[C@H]2CN(Cc3ccccc3)[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000105183853 FF Annotated Reactive N#CC1=C[C@H]2CN(Cc3ccccc3)[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000105183861 FF Annotated Reactive N#CC1=C[C@H]2CN(Cc3ccccc3)[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000105183868 FF Annotated Reactive C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)c1ccoc1)C[C@]1(CO1)[C@@H]1CC=C(C)[C@H]21 ZINC000105242308 FF Annotated Mild C/C=C1/CN2[C@H]3C[C@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3n(C)c2ccccc12 ZINC000105298231 FF Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCCCNC(=N)CSS(=O)(=O)O)C2 ZINC000105301094 FF Annotated Reactive C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCCn1ncn2c(cc3occc32)c1=O ZINC000105459090 FF Annotated Anodyne C[C@@H]1[C@@H](NC(=O)CCCn2ncn3c(cc4occc43)c2=O)CCC[C@H]1C ZINC000105459095 FF Annotated Anodyne C/C=C1/C[N+]2(C)[C@H]3C[C@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12 ZINC000105461659 FF Annotated Bother c1ccc(COC2(OCc3ccccc3)C[C@@H]3O[C@@H]2[C@@H]2N=NN[C@@H]32)cc1 ZINC000105494470 FF Annotated Anodyne C/C=C/C=C/C=C/C=C/C=C/C(=O)C1=C(O)[C@@H](CCC(=O)O)N(C)C1=O ZINC000105567201 FF Annotated Mild COc1ccc(NC(=O)[C@H]2C(=O)N[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 ZINC000105611367 FF Annotated Anodyne COc1ccc(CN2CCN(Cc3ccccn3)C[C@H]2CCO)c(C)c1C ZINC000105902243 FF Annotated Anodyne CCc1nc(C)c(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)[nH]1 ZINC000105904157 FF Annotated Anodyne COc1ccc(O)c(CN2CCN(Cc3cccs3)[C@@H](CCO)C2)c1 ZINC000106721057 FF Annotated Clean COc1ccc(CN2CCN(Cc3ccsc3)C[C@H]2CCO)c(F)c1 ZINC000106731589 FF Annotated Anodyne CCCCNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000107369326 FF Annotated Anodyne C[C@@H]1C[C@@H]2O[C@@H]2/C=C\C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 ZINC000109561917 FF Annotated Mild O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccn2)[C@H]1C(=O)c1ccccc1 ZINC000110929159 FF Annotated Anodyne O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccn2)[C@@H]1C(=O)c1ccccc1 ZINC000110929162 FF Annotated Anodyne O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccn2)[C@H]1C(=O)c1ccccc1 ZINC000110929165 FF Annotated Anodyne O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccn2)[C@@H]1C(=O)c1ccccc1 ZINC000110929169 FF Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)OC1(C)C ZINC000111957216 FF Annotated Anodyne CCCCOC(=O)[C@@H]1C=C(C(=O)O)c2cccc(/C(O)=C/C(=O)O)c2C1 ZINC000111967051 FF Annotated Anodyne O=C(O)c1cccc(-c2cn(-c3cccc4c3cc(C(=O)O)n4O)nn2)c1 ZINC000112931282 FF Annotated Anodyne COc1cc2ncc3c(c2cc1O)n(-c1ccc(C#N)cc1F)c(=O)n3C ZINC000113241646 FF Annotated Anodyne C[C@@H](Cc1ccc(C#Cc2cnc(NC3CC3)nc2)cc1)NC(=O)C1CC1 ZINC000113409113 FF Annotated Mild C[C@H](Cc1ccc(C#Cc2cnc(NC3CC3)nc2)cc1)NC(=O)C1CC1 ZINC000113409116 FF Annotated Mild C[C@@H](Cc1ccc(C#Cc2cnc(N3CCC3)nc2)cc1)NC(=O)C1CC1 ZINC000113409131 FF Annotated Mild C[C@H](Cc1ccc(C#Cc2cnc(N3CCC3)nc2)cc1)NC(=O)C1CC1 ZINC000113409134 FF Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(N3CCCCC3)n2)cc1 ZINC000113410680 FF Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(N3CCCCC3)n2)cc1 ZINC000113410683 FF Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@@H](C)NC(=O)CNC)cc2)cc1 ZINC000113410771 FF Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@H](C)NC(=O)CNC)cc2)cc1 ZINC000113410772 FF Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@@H](C)NS(C)(=O)=O)cc2)cc1 ZINC000113411299 FF Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@H](C)NS(C)(=O)=O)cc2)cc1 ZINC000113411302 FF Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cccc(C(=O)N3CCC3)c2)cc1 ZINC000113411482 FF Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cccc(C(=O)N3CCC3)c2)cc1 ZINC000113411483 FF Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@@H](C)NC(=O)c3nc[nH]n3)cc2)cc1 ZINC000113411538 FF Annotated Anodyne CCOc1ccc(C#Cc2ccc(C[C@H](C)NC(=O)c3nc[nH]n3)cc2)cc1 ZINC000113411541 FF Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(N(C)CC3CC3)n2)cc1 ZINC000113412264 FF Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(N(C)CC3CC3)n2)cc1 ZINC000113412267 FF Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(NCC(F)F)n2)cc1 ZINC000113412277 FF Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(NCC(F)F)n2)cc1 ZINC000113412280 FF Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc(N3CCC4(CC4)C3)nc2)cc1 ZINC000113412419 FF Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(N3CCC4(CC4)C3)nc2)cc1 ZINC000113412422 FF Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc(N3CCCCC3)nc2)cc1 ZINC000113412544 FF Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(N3CCCCC3)nc2)cc1 ZINC000113412548 FF Annotated Mild CCCN(C)c1nccc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)n1 ZINC000113413964 FF Annotated Mild CCCN(C)c1nccc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)n1 ZINC000113413967 FF Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(OCC(C)C)n2)cc1 ZINC000113414099 FF Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(OCC(C)C)n2)cc1 ZINC000113414101 FF Annotated Mild COC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc(NCCF)nc2)cc1 ZINC000113414117 FF Annotated Mild COC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(NCCF)nc2)cc1 ZINC000113414120 FF Annotated Mild CCN(CC)c1nccc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)n1 ZINC000113414219 FF Annotated Mild CCN(CC)c1nccc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)n1 ZINC000113414221 FF Annotated Mild COc1nc(C)n2nc(CCc3nc(-c4ccccc4)cn3C)nc2c1C ZINC000113422448 FF Annotated Anodyne COc1ccc(OC)n2nc(CCc3nc(-c4ccccc4)cn3C)nc12 ZINC000113423529 FF Annotated Anodyne COc1ccccc1-c1cn(C)c(CCc2nc3nc(C)cc(C)n3n2)n1 ZINC000113423860 FF Annotated Anodyne O=C([C@H]1C[C@H]1c1ccc(-c2cncnc2)cc1)N1CCN(C2CCC2)CC1 ZINC000113838713 FF Annotated Anodyne O=C(Nc1cnccn1)N1CC(Oc2ccc(-c3ccccc3F)cn2)C1 ZINC000114003387 FF Annotated Anodyne COc1ccc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cn1 ZINC000114019802 FF Annotated Anodyne COc1cc(NS(=O)(=O)CC(F)(F)F)ccc1-c1cncnc1C ZINC000114037240 FF Annotated Anodyne CN1C(=O)C(C)(C)[C@@](C)(c2cc(N[C@@H]3CCC[C@@H]3C#N)ccc2F)N=C1N ZINC000114109335 FF Annotated Mild CN1C(=O)C(C)(C)[C@@](C)(c2cc(N[C@H]3CCC[C@@H]3C#N)ccc2F)N=C1N ZINC000114109338 FF Annotated Mild CN1C(=O)C(C)(C)[C@@](C)(c2cc(N[C@@H]3CCC[C@H]3C#N)ccc2F)N=C1N ZINC000114109340 FF Annotated Mild CN1C(=O)C(C)(C)[C@@](C)(c2cc(N[C@H]3CCC[C@H]3C#N)ccc2F)N=C1N ZINC000114109342 FF Annotated Mild CNC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Cl)c1 ZINC000114345215 FF Annotated Anodyne CNC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Cl)c1 ZINC000114345216 FF Annotated Anodyne NC(=O)c1cccc2c(N[C@@H](Cn3ccnc3)c3ccccc3)ncnc12 ZINC000114345718 FF Annotated Anodyne NC(=O)c1cccc2c(N[C@H](Cn3ccnc3)c3ccccc3)ncnc12 ZINC000114345720 FF Annotated Anodyne CCNC[C@@H](Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1ccccc1 ZINC000114348161 FF Annotated Anodyne COc1cc2sc(-c3c(NCCc4cnc[nH]4)n[nH]c3N)nc2cc1F ZINC000114379366 FF Annotated Anodyne COc1cc2sc(-c3c(NCCCN(C)C)n[nH]c3N)nc2cc1F ZINC000114399514 FF Annotated Anodyne COc1ccc2nc(N3CCNC[C@@H]3COc3cccnc3)sc2c1 ZINC000114573480 FF Annotated Anodyne COc1ccc2nc(N3CCNC[C@H]3COc3cccnc3)sc2c1 ZINC000114573482 FF Annotated Anodyne Fc1cc(F)c2nc(N3CCNC[C@@H]3COc3cccnc3)sc2c1 ZINC000114577903 FF Annotated Anodyne Fc1cc(F)c2nc(N3CCNC[C@H]3COc3cccnc3)sc2c1 ZINC000114577905 FF Annotated Anodyne Clc1cnc2nc(N3CCNC[C@@H]3COc3cccnc3)sc2c1 ZINC000114581098 FF Annotated Anodyne Clc1cnc2nc(N3CCNC[C@H]3COc3cccnc3)sc2c1 ZINC000114581101 FF Annotated Anodyne NC(=O)c1cc([C@H](O)CO)cc(-c2ccc(-c3ccc(F)cc3)cc2)n1 ZINC000114599960 FF Annotated Anodyne NC(=O)c1cc([C@@H](O)CO)cc(-c2ccc(-c3ccc(F)cc3)cc2)n1 ZINC000114602151 FF Annotated Anodyne NC(=O)c1cc(-c2ccc(-c3ccc(F)cc3)cc2)cc([C@H](O)CO)n1 ZINC000114602154 FF Annotated Anodyne NC(=O)c1cc([C@@H](O)CO)cc(-c2cccc(Oc3ccc(F)cc3)c2)n1 ZINC000114603165 FF Annotated Anodyne c1cc2[nH]nc(-c3cnn(C4CCOCC4)c3)c2c(OC2CCOCC2)n1 ZINC000114771965 FF Annotated Anodyne COc1nccc2[nH]nc(-c3ccc(C(=O)N4CCOCC4)c(Cl)c3)c12 ZINC000114772948 FF Annotated Anodyne FC(F)(F)Cn1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cn1 ZINC000114773179 FF Annotated Anodyne Nc1ncc2c(n1)C[C@@H]1CCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000114843853 FF Annotated Anodyne O=C(O)CNC(=O)c1c(=O)oc(O)c2cccc(-c3ccc(Cl)cc3)c12 ZINC000114872470 FF Annotated Anodyne O=C(O)CNC(=O)c1c(=O)oc(O)c2cccc(-c3cccc(Cl)c3)c12 ZINC000114873272 FF Annotated Anodyne Cc1ccc(N2CCc3ncnc(N[C@H](CO)c4ccccc4)c3C2)nc1 ZINC000114994789 FF Annotated Anodyne Cc1c(S(=O)(=O)c2ccc(=O)[nH]n2)oc2ccc(C(F)(F)F)cc12 ZINC000011536193 FF Annotated Anodyne S=C(N/N=C/c1ccccn1)N(Cc1ccccn1)Cc1ccccn1 ZINC000011612893 FF Annotated Mild COC[C@@H]1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)C1 ZINC000011662499 FF Annotated Anodyne COC[C@H]1CCN(C(=O)c2cc(COc3ccc(F)cc3F)on2)C1 ZINC000011662500 FF Annotated Anodyne Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN(Cc3cc[nH]n3)C2)cc1 ZINC000011664174 FF Annotated Anodyne Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN(Cc3cc[nH]n3)C2)cc1 ZINC000011664175 FF Annotated Anodyne CC(C)CS(=O)(=O)c1ncc(CN2CCCC2)n1Cc1ccccc1 ZINC000011664303 FF Annotated Anodyne CCCCn1c(CN2CCCC[C@@H]2CCCO)cnc1S(=O)(=O)CC ZINC000011664819 FF Annotated Anodyne CCCCn1c(CN2CCCC[C@H]2CCCO)cnc1S(=O)(=O)CC ZINC000011664820 FF Annotated Anodyne Cc1ccsc1S(=O)(=O)N[C@@H](C)c1cnn(-c2ccccn2)c1C ZINC000011665044 FF Annotated Anodyne Cc1ccsc1S(=O)(=O)N[C@H](C)c1cnn(-c2ccccn2)c1C ZINC000011665045 FF Annotated Anodyne c1ccc2c(c1)C[C@H](NC1CCN(c3ccc4c(c3)OCO4)CC1)CO2 ZINC000011665335 FF Annotated Clean c1ccc2c(c1)C[C@@H](NC1CCN(c3ccc4c(c3)OCO4)CC1)CO2 ZINC000011665336 FF Annotated Clean Cc1cccnc1-n1c([S@@](=O)Cc2ccccc2N)nc2c1CCC2 ZINC000011687711 FF Annotated Anodyne COCCc1ncc(CN2CC[C@]3(CCCN(CC4CCC4)C3)C2)cn1 ZINC000011702265 FF Annotated Anodyne COCCc1ncc(CN2CC[C@@]3(CCCN(CC4CCC4)C3)C2)cn1 ZINC000011702276 FF Annotated Anodyne Cc1c(CN2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)cnn1C ZINC000011712448 FF Annotated Anodyne CCN(CCn1cccn1)C(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000011712703 FF Annotated Anodyne CCN(CCn1cccn1)C(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000011712714 FF Annotated Anodyne C=CCN1C[C@@H](C(=O)NCc2cccnc2Oc2ccccc2)CC1=O ZINC000011753538 FF Annotated Mild C=CCN1C[C@H](C(=O)NCc2cccnc2Oc2ccccc2)CC1=O ZINC000011753539 FF Annotated Mild CN1CCC[C@@]2(CCN(Cc3cccn3-c3ccc(Cl)cn3)C2)C1=O ZINC000011753790 FF Annotated Anodyne CN1CCC[C@]2(CCN(Cc3cccn3-c3ccc(Cl)cn3)C2)C1=O ZINC000011753791 FF Annotated Anodyne CN(C)C[C@@](C)(O)c1ccc2c(c1)CN(C(=O)c1ccsc1)CCO2 ZINC000011789193 FF Annotated Anodyne CN(C)C[C@](C)(O)c1ccc2c(c1)CN(C(=O)c1ccsc1)CCO2 ZINC000011789194 FF Annotated Anodyne CCN(CC)CCN(C)C(=O)CCc1nnc(-c2ccc(C)s2)o1 ZINC000011813118 FF Annotated Anodyne CCOC(=O)C1(Cc2cccc(F)c2)CCN(C(=O)c2cnccn2)CC1 ZINC000011815724 FF Annotated Anodyne CCn1ccnc1CN(C)Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 ZINC000011818367 FF Annotated Anodyne O=C(N[C@@H]1CC(=O)N(Cc2cccc3ccccc23)C1)C(=O)c1ccccc1 ZINC000011818392 FF Annotated Anodyne O=C(N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1)C(=O)c1ccccc1 ZINC000011818393 FF Annotated Anodyne CCN(CC)Cc1cnc(S(=O)(=O)CC2CCCCC2)n1CCOC ZINC000011820380 FF Annotated Anodyne COc1ccc(-c2[nH]ncc2CN(C[C@@H]2CCC(=O)N2)C(C)C)cc1F ZINC000011820390 FF Annotated Anodyne COc1ccc(-c2[nH]ncc2CN(C[C@H]2CCC(=O)N2)C(C)C)cc1F ZINC000011820391 FF Annotated Anodyne COC(=O)c1ccc(CN2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)cc1 ZINC000011841387 FF Annotated Anodyne COC(=O)c1ccc(CN2CC[C@]3(CCCN(CC4CC4)C3=O)C2)cc1 ZINC000011841389 FF Annotated Anodyne Cc1ccn(CC(=O)N(CCc2ccccc2)CC2CCN(C)CC2)n1 ZINC000011842355 FF Annotated Anodyne CSc1ccc(C(=O)[C@H]2CCCN(C(=O)Cn3nc(C)nc3C)C2)cc1 ZINC000011844209 FF Annotated Anodyne CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)Cn3nc(C)nc3C)C2)cc1 ZINC000011844210 FF Annotated Anodyne CC(=O)c1ccc(OCc2cc(C(=O)NC[C@@H]3CCCCO3)no2)cc1 ZINC000011844613 FF Annotated Anodyne CC(=O)c1ccc(OCc2cc(C(=O)NC[C@H]3CCCCO3)no2)cc1 ZINC000011844614 FF Annotated Anodyne O=C1N[C@@H](c2ccccc2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000011859141 FF Annotated Anodyne Cc1cccc(Cc2nnc(CCC(=O)NCc3ccncc3C)o2)c1 ZINC000011872910 FF Annotated Anodyne CN(Cc1ccccn1)C(=O)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 ZINC000011873329 FF Annotated Anodyne CN(Cc1ccccn1)C(=O)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 ZINC000011873330 FF Annotated Anodyne COCC1CCN(C(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)CC1 ZINC000011874442 FF Annotated Anodyne COCC1CCN(C(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)CC1 ZINC000011874443 FF Annotated Anodyne Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)CN2CCCC2=O)c1 ZINC000011874958 FF Annotated Anodyne Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)CN2CCCC2=O)c1 ZINC000011874959 FF Annotated Anodyne CN(Cc1nccs1)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000011878450 FF Annotated Anodyne CN(Cc1nccs1)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000011878451 FF Annotated Anodyne CN(Cc1ccon1)C(=O)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 ZINC000011878860 FF Annotated Anodyne CN(Cc1ccon1)C(=O)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 ZINC000011878861 FF Annotated Anodyne COc1ccccc1[C@@]1(CC(=O)N2CCCCCCC2)CC(=O)N(C)C1=O ZINC000011880355 FF Annotated Anodyne COc1ccccc1[C@]1(CC(=O)N2CCCCCCC2)CC(=O)N(C)C1=O ZINC000011880356 FF Annotated Anodyne Cc1cccc(C(=O)NC[C@@H]2Cc3cc(F)cc(-c4cnccn4)c3O2)n1 ZINC000011882275 FF Annotated Anodyne Cc1cccc(C(=O)NC[C@H]2Cc3cc(F)cc(-c4cnccn4)c3O2)n1 ZINC000011882276 FF Annotated Anodyne COC[C@@H]1CCCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)C1 ZINC000011933332 FF Annotated Anodyne COC[C@H]1CCCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)C1 ZINC000011933333 FF Annotated Anodyne Cc1cc(-c2cnnc(N3CCC[C@@H](C(=O)c4nccn4C)C3)n2)c(C)o1 ZINC000011933415 FF Annotated Anodyne Cc1cc(-c2cnnc(N3CCC[C@H](C(=O)c4nccn4C)C3)n2)c(C)o1 ZINC000011933416 FF Annotated Anodyne Cc1cc(-c2cnnc(NCCc3cn4nc(C)sc4n3)n2)c(C)o1 ZINC000011935341 FF Annotated Anodyne Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cc(C)[nH]n4)C3)C2=O)c1 ZINC000011935498 FF Annotated Anodyne Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4cc(C)[nH]n4)C3)C2=O)c1 ZINC000011935499 FF Annotated Anodyne Cc1cc(C)n(Cc2cc(C(=O)N3CCC[C@@H]3c3nccs3)n[nH]2)n1 ZINC000011936718 FF Annotated Anodyne Cc1cc(C)n(Cc2cc(C(=O)N3CCC[C@H]3c3nccs3)n[nH]2)n1 ZINC000011936719 FF Annotated Anodyne Cc1ccc(OCc2cc(C(=O)N(C)CCc3ccccn3)no2)cn1 ZINC000011937995 FF Annotated Anodyne Cc1cccnc1CNC(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000011938418 FF Annotated Anodyne Cc1cccnc1CNC(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000011938419 FF Annotated Anodyne CC(=O)N1CCC(NCc2cccnc2N2CCc3ccccc3C2)CC1 ZINC000011948019 FF Annotated Anodyne NC(=O)[C@@H]1CCCN1C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 ZINC000011950897 FF Annotated Anodyne O=C(CCc1cccnc1)NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1 ZINC000011970780 FF Annotated Anodyne O=C(CCc1cccnc1)NC[C@H]1Cc2cccc(-c3ncccn3)c2O1 ZINC000011970790 FF Annotated Anodyne COCc1c(C(=O)NC2CCCC2)cnn1-c1nccc(-c2ccco2)n1 ZINC000011996256 FF Annotated Anodyne Cc1nc(CC(=O)NC[C@@H]2Cc3cccc(-c4cncnc4)c3O2)cs1 ZINC000011996511 FF Annotated Anodyne Cc1nc(CC(=O)NC[C@H]2Cc3cccc(-c4cncnc4)c3O2)cs1 ZINC000011996512 FF Annotated Anodyne CC(C)Nc1nc(-c2ccc(N3CCCC3)nc2)cc2ncn(C)c(=O)c12 ZINC000115624037 FF Annotated Anodyne CC(C)Nc1nc(-c2ccc(N3CCOCC3)cc2)cc2nc[nH]c(=O)c12 ZINC000115624783 FF Annotated Anodyne COCCNc1nc(-c2ccc3nc(C)oc3c2)cc2ncn(C)c(=O)c12 ZINC000115625062 FF Annotated Anodyne CCNc1nc(-c2ccc(C3(O)CCC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115625197 FF Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCCC4)nc3)nc(NC3CC3)c2c1=O ZINC000115625303 FF Annotated Anodyne Cn1cnc2cc(-c3ccc(C4(O)CCC4)cc3)nc(NC3CC3)c2c1=O ZINC000115625307 FF Annotated Anodyne Oc1ncnc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000115714606 FF Annotated Mild CC(C)c1cc(-c2nnc(O)n2-c2ccc(N(C)C)nc2)c(O)cc1O ZINC000115807075 FF Annotated Anodyne CC(C)(C)Cc1nc2cc(S(=O)(=O)C3CNC3)ccc2n1CC1CC1 ZINC000115888680 FF Annotated Anodyne COc1cc(C)ccc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 ZINC000116822835 FF Annotated Anodyne COc1cc(C)ccc1C(=O)N1C[C@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 ZINC000116822837 FF Annotated Anodyne COc1cc(C)ccc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@H]2C1 ZINC000116822838 FF Annotated Anodyne CCc1ccccc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 ZINC000116823300 FF Annotated Anodyne CCc1ccccc1C(=O)N1C[C@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 ZINC000116823301 FF Annotated Anodyne CCc1ccccc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@H]2C1 ZINC000116823303 FF Annotated Anodyne Cc1ccc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c(C)c1 ZINC000116823858 FF Annotated Anodyne Cc1ccc(C(=O)N2C[C@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c(C)c1 ZINC000116823860 FF Annotated Anodyne Cc1ccc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)c(C)c1 ZINC000116823862 FF Annotated Anodyne N#Cc1ccccc1C(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000116824143 FF Annotated Mild N#Cc1ccccc1C(=O)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000116824145 FF Annotated Mild N#Cc1ccccc1C(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2C1 ZINC000116824148 FF Annotated Mild COc1ccccc1C(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)[C@@H]2C1 ZINC000116825031 FF Annotated Anodyne COc1ccccc1C(=O)N1C[C@@H]2[C@@H](C1)CN2c1cnc2ccccc2n1 ZINC000116825033 FF Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(C)c4C)C[C@H]3C2)n1 ZINC000116825644 FF Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(C)c4C)C[C@@H]3C2)n1 ZINC000116825646 FF Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cccc(C)c4C)C[C@H]3C2)n1 ZINC000116825649 FF Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(F)c4C)C[C@H]3C2)n1 ZINC000116825672 FF Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(F)c4C)C[C@@H]3C2)n1 ZINC000116825674 FF Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cccc(F)c4C)C[C@H]3C2)n1 ZINC000116825675 FF Annotated Anodyne COc1cccc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c1C ZINC000116828268 FF Annotated Anodyne COc1cccc(C(=O)N2C[C@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c1C ZINC000116828271 FF Annotated Anodyne COc1cccc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)c1C ZINC000116828272 FF Annotated Anodyne Cc1ccccc1CN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1 ZINC000117362080 FF Annotated Anodyne NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccccc3F)CC1)C2 ZINC000117365334 FF Annotated Anodyne Cc1ccsc1CN1CCC(N2Cc3cccc(C(N)=O)c3C2=O)CC1 ZINC000117376839 FF Annotated Anodyne C[C@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2ccco2)CC1 ZINC000117385144 FF Annotated Anodyne C[C@@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2ccco2)CC1 ZINC000117385146 FF Annotated Anodyne NC(=O)c1cccc2c1[C@@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1CC2 ZINC000117618921 FF Annotated Anodyne NC(=O)c1cccc2c1[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1CC2 ZINC000117618925 FF Annotated Anodyne CNC(=O)c1ccc2c(c1)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 ZINC000117623062 FF Annotated Anodyne CNC(=O)c1ccc2c(c1)C[C@H]1[C@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 ZINC000117623071 FF Annotated Anodyne N#C[C@H]1C[C@@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000118243231 FF Annotated Mild N#C[C@H]1C[C@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000118243233 FF Annotated Mild C[C@H](CO)n1c(=O)n(C)c2cnc3ccc(-c4cccc5[nH]ccc45)nc3c21 ZINC000118541827 FF Annotated Anodyne CCn1ccc2cnc(NC(=O)c3ccc([C@@](C)(O)CO)c(C)c3)cc21 ZINC000118585538 FF Annotated Anodyne COc1cc(CN(C)CCOC(C)C)cc2[nH]c(=O)c3c(c12)NCCC3 ZINC000118733212 FF Annotated Anodyne COc1cc(CN(C)C2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3 ZINC000118733297 FF Annotated Anodyne COc1cc(CN2C[C@H](C)O[C@H](C)C2)cc2[nH]c(=O)c3c(c12)NCCC3 ZINC000118734022 FF Annotated Anodyne COc1cc(CN2C[C@H](C)O[C@@H](C)C2)cc2[nH]c(=O)c3c(c12)NCCC3 ZINC000118734023 FF Annotated Anodyne COc1cc(CN2C[C@@H](C)O[C@H](C)C2)cc2[nH]c(=O)c3c(c12)NCCC3 ZINC000118734026 FF Annotated Anodyne CCCOc1cc(CN2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3 ZINC000118734676 FF Annotated Anodyne C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)[C@@H](O)C[C@]4(C)[C@H]3CC(=O)[C@@]21C ZINC000118914542 FF Annotated Mild in-vitro biogenic C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)[C@@H](O)C[C@]4(C)[C@H]3CC(=O)[C@@]21C ZINC000118914543 FF Annotated Mild in-vitro biogenic Cc1nn(C)c(Cl)c1CN1CCC(CO)(C[C@@H]2CCCCO2)CC1 ZINC000012020822 FF Annotated Anodyne Cc1nn(C)c(Cl)c1CN1CCC(CO)(C[C@H]2CCCCO2)CC1 ZINC000012020826 FF Annotated Anodyne O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1cnccn1 ZINC000012027838 FF Annotated Anodyne O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1cnccn1 ZINC000012027840 FF Annotated Anodyne COCCc1nc2ccc(C(=O)N3CCC[C@@H]3c3nonc3C)cc2o1 ZINC000012028493 FF Annotated Anodyne COCCc1nc2ccc(C(=O)N3CCC[C@H]3c3nonc3C)cc2o1 ZINC000012028496 FF Annotated Anodyne COc1ccc(F)c(C[C@@]2(CCC(=O)NCc3ccco3)CCC(=O)N2)c1 ZINC000012041237 FF Annotated Anodyne COc1ccc(F)c(C[C@]2(CCC(=O)NCc3ccco3)CCC(=O)N2)c1 ZINC000012041240 FF Annotated Anodyne Cc1cc(C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4F)C3=O)C2)no1 ZINC000012053350 FF Annotated Anodyne Cc1cc(C(=O)N2CC[C@]3(CCCN(Cc4ccccc4F)C3=O)C2)no1 ZINC000012053354 FF Annotated Anodyne Cc1nnc(CN(C)C(=O)c2cc(COc3ccc(C)c(C)c3)on2)o1 ZINC000012057067 FF Annotated Anodyne O=C1CN(C(=O)c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)CCN1 ZINC000012072326 FF Annotated Anodyne O=C(c1ccc[n+]([O-])c1)N1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1 ZINC000012073720 FF Annotated Anodyne O=C(c1ccc[n+]([O-])c1)N1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1 ZINC000012073723 FF Annotated Anodyne CC(=O)c1cc(CC(=O)N2CCC[C@@H](CCC(=O)NC3CC3)C2)cs1 ZINC000012075989 FF Annotated Anodyne CC(=O)c1cc(CC(=O)N2CCC[C@H](CCC(=O)NC3CC3)C2)cs1 ZINC000012075991 FF Annotated Anodyne CN(Cc1ccccc1Cl)C[C@@]1(O)CCCN(CC2CCC2)C1=O ZINC000012076396 FF Annotated Anodyne CN(Cc1ccccc1Cl)C[C@]1(O)CCCN(CC2CCC2)C1=O ZINC000012076398 FF Annotated Anodyne O=C(/C=C/c1ccccn1)NC[C@@H]1Cc2cc(-c3cnccn3)ccc2O1 ZINC000012078127 FF Annotated Anodyne O=C(/C=C/c1ccccn1)NC[C@H]1Cc2cc(-c3cnccn3)ccc2O1 ZINC000012078129 FF Annotated Anodyne Cc1cnc(C)c(-c2cccc3c2O[C@H](CNC(=O)c2cc(C)on2)C3)n1 ZINC000012079193 FF Annotated Anodyne Cc1cnc(C)c(-c2cccc3c2O[C@@H](CNC(=O)c2cc(C)on2)C3)n1 ZINC000012079195 FF Annotated Anodyne CCSc1ncc(CN2CC[C@@]3(CCCN(CCOC)C3)C2)cn1 ZINC000012089969 FF Annotated Anodyne CCSc1ncc(CN2CC[C@]3(CCCN(CCOC)C3)C2)cn1 ZINC000012089971 FF Annotated Anodyne COC(=O)CC[C@@H](C)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 ZINC000012090463 FF Annotated Anodyne COC(=O)CC[C@H](C)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 ZINC000012090466 FF Annotated Anodyne Cc1oncc1C(=O)N1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1 ZINC000012092083 FF Annotated Anodyne Cc1oncc1C(=O)N1CCC[C@](CO)(Cc2ccc(F)cc2F)C1 ZINC000012092086 FF Annotated Anodyne CSCC(=O)N1CC[C@@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 ZINC000012093334 FF Annotated Anodyne CSCC(=O)N1CC[C@]2(CCCN(Cc3ccc(F)c(F)c3)C2=O)C1 ZINC000012093337 FF Annotated Anodyne COc1ccc(CC2=NO[C@@H](CNC(=O)c3ccc(OC)c(F)c3)C2)cc1 ZINC000012098986 FF Annotated Anodyne COc1ccc(CC2=NO[C@H](CNC(=O)c3ccc(OC)c(F)c3)C2)cc1 ZINC000012098987 FF Annotated Anodyne COc1ccc(-c2cc(C)cc3c2O[C@H](CNC(=O)CC(C)C)C3)nn1 ZINC000012099155 FF Annotated Anodyne COc1ccc(-c2cc(C)cc3c2O[C@@H](CNC(=O)CC(C)C)C3)nn1 ZINC000012099156 FF Annotated Anodyne CC1CCN(C(=O)c2cn(C3CCCC3)cc(C(=O)NC(C)C)c2=O)CC1 ZINC000012099213 FF Annotated Anodyne Cc1ccc(OCc2cc(C(=O)N(C)Cc3cnn(C)c3)no2)cc1C ZINC000012112321 FF Annotated Anodyne CC(C)(C)C(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCCC2 ZINC000012130150 FF Annotated Anodyne CC(C)CC(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCCC2 ZINC000012130154 FF Annotated Anodyne COc1ccc(OC)c(Cc2nnc(CCC(=O)N3CCCCC3)o2)c1 ZINC000012197872 FF Annotated Anodyne O=C(NCC1CCOCC1)c1cc(COc2ccc(F)cc2F)on1 ZINC000012198484 FF Annotated Anodyne COc1ccc(F)cc1C(=O)[C@@H]1CCCN(C(=O)C2=C(C)OCCO2)C1 ZINC000012208150 FF Annotated Anodyne COc1ccc(F)cc1C(=O)[C@H]1CCCN(C(=O)C2=C(C)OCCO2)C1 ZINC000012208157 FF Annotated Anodyne CC(C)n1cc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3F)C2)cn1 ZINC000012227810 FF Annotated Anodyne CC(C)n1cc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3F)C2)cn1 ZINC000012227818 FF Annotated Anodyne Cc1ncoc1C(=O)NC[C@@H]1Cc2cc(-c3cccnc3)cc(F)c2O1 ZINC000012247314 FF Annotated Anodyne Cc1ncoc1C(=O)NC[C@H]1Cc2cc(-c3cccnc3)cc(F)c2O1 ZINC000012247315 FF Annotated Anodyne CSc1ccccc1OCc1cc(C(=O)N(C)Cc2nonc2C)no1 ZINC000012297276 FF Annotated Anodyne Cc1c([C@@H](C)NC(=O)c2ccc3c(c2)OCO3)cnn1-c1ccccn1 ZINC000012297796 FF Annotated Anodyne Cc1c([C@H](C)NC(=O)c2ccc3c(c2)OCO3)cnn1-c1ccccn1 ZINC000012297797 FF Annotated Anodyne COC[C@@H](C)N1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1 ZINC000012298471 FF Annotated Anodyne COC[C@H](C)N1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1 ZINC000012298472 FF Annotated Anodyne Cc1ccc(N[C@@H]2CCCN(C(=O)CCC3=NNC(=O)CC3)C2)cc1C ZINC000012304130 FF Annotated Anodyne Cc1ccc(N[C@H]2CCCN(C(=O)CCC3=NNC(=O)CC3)C2)cc1C ZINC000012304132 FF Annotated Anodyne CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)c2c[nH]cn2)C1 ZINC000012305140 FF Annotated Anodyne CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)c2c[nH]cn2)C1 ZINC000012305141 FF Annotated Anodyne CCn1ccnc1[C@@H]1C[C@H]2CN(c3ccccc3OC)C(=O)[C@]23CCCN13 ZINC000012306069 FF Annotated Anodyne COc1cc(-c2[nH]ncc2CN(C)Cc2cc(C)[nH]n2)cc(OC)c1OC ZINC000012306127 FF Annotated Anodyne CN(Cc1nccn1C)C(=O)CCc1nnc(CCC2CCCCC2)o1 ZINC000012306906 FF Annotated Anodyne O=C(Nc1ccc(-c2ccn[nH]2)cc1)[C@@H]1CCCN(Cc2ccon2)C1 ZINC000012307144 FF Annotated Anodyne O=C(Nc1ccc(-c2ccn[nH]2)cc1)[C@H]1CCCN(Cc2ccon2)C1 ZINC000012307145 FF Annotated Anodyne O=C(CCC1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)NC1CC1 ZINC000012315448 FF Annotated Anodyne Cc1nonc1[C@@H]1CCCN1Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000012316900 FF Annotated Anodyne Cc1nonc1[C@H]1CCCN1Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000012316901 FF Annotated Anodyne Cn1ccnc1[C@@H]1CCCCN1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000012316980 FF Annotated Anodyne Cn1ccnc1[C@H]1CCCCN1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000012316981 FF Annotated Anodyne COCCN1CCC(CN(CCCn2cccn2)Cc2ccncc2)CC1 ZINC000012320702 FF Annotated Anodyne O=C(/C=C\c1cccs1)Nc1ccc(N2CCOCC2)c(C(=O)O)c1 ZINC000012339866 FF Annotated Anodyne NS(=O)(=O)c1ccc(-c2coc(=O)n2-c2cccc3ccccc23)cc1 ZINC000012352400 FF Annotated Anodyne O=C(Nc1csc(CSc2ccccc2)n1)NN1CCOCC1 ZINC000012354852 FF Annotated Anodyne N=C(N)N1CCc2ccc(OCC3CCN(c4ccncc4)CC3)cc2C1 ZINC000012354931 FF Annotated Anodyne COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(-n3ccnc3)c21 ZINC000012354967 FF Annotated Bother O=C(O)/C=C/C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000012369088 FF Annotated Anodyne CN(C)c1ncc2c(n1)CCC[C@@H]2NS(=O)(=O)/C=C/c1ccccc1 ZINC000012373174 FF Annotated Anodyne CN(C)c1ncc2c(n1)CCC[C@H]2NS(=O)(=O)/C=C/c1ccccc1 ZINC000012373175 FF Annotated Anodyne Cc1cc(=O)oc(C)c1C(=O)N1CCC[C@@H](N(C)Cc2ccccc2)C1 ZINC000012385267 FF Annotated Anodyne Cc1cc(=O)oc(C)c1C(=O)N1CCC[C@H](N(C)Cc2ccccc2)C1 ZINC000012385268 FF Annotated Anodyne Cn1nccc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000012385846 FF Annotated Anodyne Cn1nccc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F ZINC000012385847 FF Annotated Anodyne O=C1N(C2CCCC2)C[C@@H]2C[C@@H](c3cccc4nonc34)N3CCC[C@@]123 ZINC000012429282 FF Annotated Anodyne COCCN1CCC[C@@]2(CCN(Cc3cccc4cccnc34)C2)C1=O ZINC000012430488 FF Annotated Anodyne COCCN1CCC[C@]2(CCN(Cc3cccc4cccnc34)C2)C1=O ZINC000012430489 FF Annotated Anodyne C[C@@H](Cc1cnccn1)NC(=O)c1cc(COc2ccc(F)cc2F)on1 ZINC000012431722 FF Annotated Anodyne C[C@H](Cc1cnccn1)NC(=O)c1cc(COc2ccc(F)cc2F)on1 ZINC000012431723 FF Annotated Anodyne O=C(CCN1CCCC1=O)N[C@H]1CCCc2c1cnn2-c1ccccc1F ZINC000012431792 FF Annotated Anodyne O=C(CCN1CCCC1=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1F ZINC000012431793 FF Annotated Anodyne CC(C)CCn1c(CN(C)C2CCOCC2)cnc1S(=O)(=O)C(C)C ZINC000012433045 FF Annotated Anodyne O=C(CCc1[nH]nc2c1CCCC2)N1CC[C@@]2(CCCN(CC3CC3)C2)C1 ZINC000012433857 FF Annotated Anodyne O=C(CCc1[nH]nc2c1CCCC2)N1CC[C@]2(CCCN(CC3CC3)C2)C1 ZINC000012433858 FF Annotated Anodyne Cc1cnccc1CN(C)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000012434473 FF Annotated Anodyne Cc1cnccc1CN(C)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000012434474 FF Annotated Anodyne Cc1nc(C)n(CC(=O)N2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)n1 ZINC000012438761 FF Annotated Anodyne Cc1nc(C)n(CC(=O)N2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)n1 ZINC000012438762 FF Annotated Anodyne Cc1nnsc1C(=O)N1CCC(CO)(Cc2ccccc2Cl)CC1 ZINC000012439926 FF Annotated Anodyne CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)/C=C/c1ccncc1 ZINC000012442429 FF Annotated Anodyne CC(C)c1cc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3F)C2)on1 ZINC000012456749 FF Annotated Anodyne CC(C)c1cc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3F)C2)on1 ZINC000012456752 FF Annotated Anodyne Cn1cc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cn1 ZINC000012458899 FF Annotated Anodyne O=[P@@]1(Oc2ccccc2)C[C@@H](O)[C@@H](O)[C@H](COCc2ccccc2)O1 ZINC000012466707 FF Annotated Anodyne O=[P@]1(Oc2ccccc2)C[C@@H](O)[C@@H](O)[C@H](COCc2ccccc2)O1 ZINC000012466713 FF Annotated Anodyne Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCC1=CCCCC1 ZINC000012468833 FF Annotated Anodyne Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCC1=CCCCC1 ZINC000012468838 FF Annotated Anodyne COc1cccc(-c2noc3c2CN(C(=O)C(=O)c2ccco2)CC3)c1 ZINC000012469145 FF Annotated Anodyne COc1ccc(N[C@@H](C)C(=O)NN/C=C2\C(=O)C=Cc3ccccc32)cc1 ZINC000012471110 FF Annotated Reactive COc1ccc(N[C@H](C)C(=O)NN/C=C2\C(=O)C=Cc3ccccc32)cc1 ZINC000012471116 FF Annotated Reactive CC(C)(C)SC(=O)C[C@@H]1NS(=O)(=O)OC[C@@H]1Cc1ccccc1 ZINC000012472497 FF Annotated Anodyne CC(C)(C)SC(=O)C[C@H]1NS(=O)(=O)OC[C@@H]1Cc1ccccc1 ZINC000012472502 FF Annotated Anodyne CC(C)(C)SC(=O)C[C@@H]1NS(=O)(=O)OC[C@H]1Cc1ccccc1 ZINC000012472508 FF Annotated Anodyne CC(C)(C)SC(=O)C[C@H]1NS(=O)(=O)OC[C@H]1Cc1ccccc1 ZINC000012472514 FF Annotated Anodyne CN(Cc1cnn(C)c1)C(=O)c1coc(COc2cccc(F)c2F)n1 ZINC000012473554 FF Annotated Anodyne COc1cc(-c2noc(C)c2C#Cc2nccn2C)cc(OC)c1OC ZINC000012474762 FF Annotated Mild O=C1C=CC(Br)=C/C1=C1\C=C(c2cccc([N+](=O)[O-])c2)NN1 ZINC000012475423 FF Annotated Mild Cc1ccc(NC(=O)CSCC(=O)NCCc2ccccn2)c(C)c1 ZINC000012476375 FF Annotated Anodyne COC(=O)C[C@H]1c2ccccc2S(=O)(=O)N1Cc1ccc(OC)cc1 ZINC000012478627 FF Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2CC=C[C@@H]3CCN(C4CC4)C(=O)[C@@H]32)cc1 ZINC000012478692 FF Annotated Anodyne CCOC(=O)C[C@H]1c2ccccc2S(=O)(=O)N1c1cccc(OC)c1 ZINC000012478849 FF Annotated Anodyne COc1ccc(CN2[C@@H](CC(=O)O)c3cc(F)ccc3S2(=O)=O)cc1 ZINC000012478969 FF Annotated Anodyne C=C1CCN([C@@H](Cc2ccccc2)C(=O)O)S(=O)(=O)c2ccccc21 ZINC000012479214 FF Annotated Mild COc1ccccc1CN1[C@@H](CC(=O)O)c2cc(F)ccc2S1(=O)=O ZINC000012479324 FF Annotated Anodyne CCc1ccc2c(c1)c1nnc(SCCN3CCOCC3)nc1n2C ZINC000012481500 FF Annotated Anodyne C#Cc1ccc([C@H]2C=C(C(=O)OCC=C)O[C@@H](OCCCCO)C2)cc1 ZINC000012482686 FF Annotated Mild O=[N+]([O-])c1cc2c(cc1/C=N\n1c(-c3ccccn3)n[nH]c1=S)OCO2 ZINC000012485488 FF Annotated Mild O=C1NC(=S)NC(=O)C1Cc1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000012500927 FF Annotated Anodyne in-man CC(C)NC(=O)c1onc(CSc2ccncc2)c1C(=O)NC(C)C ZINC000012509473 FF Annotated Anodyne C/C(=N\Nc1ccccn1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000012531649 FF Annotated Mild O=C(NCc1ccccn1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000012566058 FF Annotated Anodyne COc1ccccc1CN1C[C@@H](C(=O)N(C)Cc2ccc(C)o2)CCC1=O ZINC000012575151 FF Annotated Anodyne COc1ccccc1CN1C[C@H](C(=O)N(C)Cc2ccc(C)o2)CCC1=O ZINC000012575157 FF Annotated Anodyne O=C(NCCc1ccco1)c1coc(COc2ccc3c(c2)OCO3)n1 ZINC000012576695 FF Annotated Anodyne COc1ccc(-c2cnnc(NCc3nc(C)cc(C)n3)n2)cc1OC ZINC000012591254 FF Annotated Anodyne c1ccc(CO[C@@H]2CCCN(Cc3nc(-c4cnccn4)no3)C2)cc1 ZINC000012591928 FF Annotated Anodyne c1ccc(CO[C@H]2CCCN(Cc3nc(-c4cnccn4)no3)C2)cc1 ZINC000012591934 FF Annotated Anodyne CCOC(=O)N1CCC(N[C@H]2CC(=O)N(C3CCCCCC3)C2)CC1 ZINC000012593203 FF Annotated Anodyne CCOC(=O)N1CCC(N[C@@H]2CC(=O)N(C3CCCCCC3)C2)CC1 ZINC000012593208 FF Annotated Anodyne CN(Cc1ccco1)C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000012595151 FF Annotated Anodyne CN(Cc1ccco1)C(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000012595156 FF Annotated Anodyne Cc1n[nH]c(C)c1CCN(C)C(=O)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000012595351 FF Annotated Anodyne Cc1n[nH]c(C)c1CCN(C)C(=O)[C@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000012595356 FF Annotated Anodyne COc1ccccc1NCCC(=O)OCC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000012600971 FF Annotated Anodyne COc1ccccc1NCCC(=O)OCC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C ZINC000012600973 FF Annotated Anodyne O=C(N/C(=C\c1ccc(Cl)cc1)C(=O)N1CCOCC1)c1ccco1 ZINC000012656804 FF Annotated Anodyne C=CC/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(O)c(O)c1O ZINC000012657128 FF Annotated Mild C/N=c1\scc(-c2ccccc2F)n1/N=C/c1ccc(O)c(O)c1O ZINC000012658334 FF Annotated Mild COCCN1CCC[C@@]2(CCN(Cc3ccc(Cn4cccn4)cc3)C2)C1 ZINC000012704621 FF Annotated Anodyne COCCN1CCC[C@]2(CCN(Cc3ccc(Cn4cccn4)cc3)C2)C1 ZINC000012704627 FF Annotated Anodyne COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)NCc3ccco3)[C@@H]3C=C[C@H]2C3)cc1 ZINC000012706219 FF Annotated Anodyne COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)NCc3ccco3)[C@@H]3C=C[C@H]2C3)cc1 ZINC000012706228 FF Annotated Anodyne COc1cccc(-c2cnnc(NCc3ccccc3-n3cncn3)n2)c1 ZINC000012710644 FF Annotated Anodyne O=C(c1cnsn1)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 ZINC000012713562 FF Annotated Anodyne CCOC(=O)C1(CCOC)CCN(C(=O)c2ccc(COC)s2)CC1 ZINC000012714776 FF Annotated Anodyne O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCC[C@@H](O)C1 ZINC000012717550 FF Annotated Anodyne O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCC[C@H](O)C1 ZINC000012717553 FF Annotated Anodyne O=C(CCn1cncn1)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2)C1 ZINC000012718136 FF Annotated Anodyne O=C(CCn1cncn1)N1CC[C@]2(CCCN(CCC3CCCCC3)C2)C1 ZINC000012718138 FF Annotated Anodyne C=CCNC(=O)c1onc(CSc2ccccc2)c1C(=O)NCC=C ZINC000012725704 FF Annotated Mild CCOC(=O)c1cnc2nc(SCc3ccccc3Cl)[nH]n2c1=O ZINC000012725909 FF Annotated Anodyne COC(=O)c1c(C)c(OC(=O)c2c(C)cc(O)c(C=O)c2O)cc(C)c1O ZINC000012725984 FF Annotated Anodyne O=C1N=c2ccccc2=C/C1=C1/N=NN(c2ccc(Cl)c(Cl)c2)N1 ZINC000012726062 FF Annotated Anodyne COCCNc1nc(C)cc(-c2cc(C(=O)Nc3ccccc3)on2)n1 ZINC000012727059 FF Annotated Anodyne CCOC(=O)/C(=N\Nc1cc(Cl)ccc1Cl)N1CCN(C)CC1 ZINC000012729292 FF Annotated Mild Cc1cccn2c(=O)c(/C=N\CCO)c(Nc3ccc(Cl)cc3)nc12 ZINC000012732710 FF Annotated Mild CC(C)/C=C/C(=O)N1CCC[C@@H](CCC(=O)N(C)C2CCN(C)CC2)C1 ZINC000012747354 FF Annotated Anodyne CC(C)/C=C/C(=O)N1CCC[C@H](CCC(=O)N(C)C2CCN(C)CC2)C1 ZINC000012747358 FF Annotated Anodyne Cn1c2ccccc2n2c3ncccc3/c(=N/CCCC(=O)O)c(C#N)c12 ZINC000012939703 FF Annotated Mild CC(C)CCc1c(O)nc(SCC(=O)N2CCCCCC2)[nH]c1=O ZINC000013108293 FF Annotated Anodyne Cc1c(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc2n1C ZINC000013108384 FF Annotated Reactive Cn1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000013108386 FF Annotated Reactive CCc1c(C)sc(NC(=O)C2=CC(=C3C=CC(=O)C=C3)ON2)c1C#N ZINC000013110812 FF Annotated Mild O=C(O)[C@H]1Sc2nc(O)sc2[C@H]2c3cc(Cl)ccc3OC(=O)[C@H]12 ZINC000013115632 FF Annotated Anodyne O=c1/c(=C\c2ccco2)sc2nc(-c3ccccc3Br)nn12 ZINC000013115732 FF Annotated Anodyne C=CCN1C(=O)/C(=C/Nc2cccnc2Cl)C(=O)N(CCCC)C1=O ZINC000013116684 FF Annotated Mild O=C(CN1CCCc2ccccc21)NN/C=C1\C(=O)C=Cc2ccccc21 ZINC000013118392 FF Annotated Reactive CCO[C@H]1OC(C(=O)O)=C[C@@H](c2coc3ccccc3c2=O)[C@@H]1CCCO ZINC000013118542 FF Annotated Anodyne CCO[C@@H]1OC(C(=O)O)=C[C@H](c2coc3ccccc3c2=O)[C@H]1CCCO ZINC000013118620 FF Annotated Anodyne COC1=C/C(=C/C(C#N)=C2\Nc3ccc(C)cc3N2)C=C([N+](=O)[O-])C1=O ZINC000013119071 FF Annotated Reactive C=CCC1=CC=C/C(=C\NNC(=O)CCC(=O)Nc2ccc(F)cc2)C1=O ZINC000013119104 FF Annotated Reactive O=C1C(Cl)=CC(Cl)=C/C1=C\NNc1ncc(Br)cn1 ZINC000013119250 FF Annotated Mild Cc1ccc(OCC(=O)NN/C=C2\C=Nc3ccccc32)c([N+](=O)[O-])c1 ZINC000013119348 FF Annotated Reactive Cc1cc(C(=O)NN/C=C2\C=CC(=O)C(O)=C2O)c(C)n1-c1ccccc1 ZINC000013120136 FF Annotated Reactive C=CCC1=CC=C/C(=C\NNC(=O)CCC(=O)Nc2ccc(C)cc2)C1=O ZINC000013121691 FF Annotated Reactive COC(=O)C1=Nc2cc(OC)c(OC)cc2/C1=C/NNc1ccccc1 ZINC000013122055 FF Annotated Anodyne COC1=C/C(=C/NNc2nc(C)nc3c2cnn3-c2ccccc2)C=CC1=O ZINC000013122262 FF Annotated Mild CC(C)(C)c1cc(C(=O)NN/C=C2\C=CC=CC2=O)n(-c2ccccc2)n1 ZINC000013122324 FF Annotated Reactive COC1=CC=C/C(=C\Nn2c(COc3ccccc3)n[nH]c2=S)C1=O ZINC000013122392 FF Annotated Mild COc1ccc([C@@H]2C(C#N)=C(N)N=C3ONC(C(C)(C)C)=C32)c(OC)c1 ZINC000013122980 FF Annotated Reactive COc1ccc([C@H]2C(C#N)=C(N)N=C3ONC(C(C)(C)C)=C32)c(OC)c1 ZINC000013122981 FF Annotated Reactive CCCOC1=CC(=O)/C(=C/NNC(=S)Nc2ccccc2[N+](=O)[O-])C=C1 ZINC000013123174 FF Annotated Mild COC1=CC=C/C(=C\NNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1=O ZINC000013123254 FF Annotated Reactive aggregator COc1cccc(C2=Nc3nnnn3[C@H](c3cccc(OC)c3OC)C2)c1 ZINC000013123573 FF Annotated Anodyne COc1cccc(C2=Nc3nnnn3[C@@H](c3cccc(OC)c3OC)C2)c1 ZINC000013123574 FF Annotated Anodyne O[C@@]1(C(F)(F)F)C[C@@](O)(C(F)(F)F)n2nc(-c3ccccc3)cc2N1 ZINC000013123722 FF Annotated Anodyne O[C@]1(C(F)(F)F)C[C@@](O)(C(F)(F)F)n2nc(-c3ccccc3)cc2N1 ZINC000013123723 FF Annotated Anodyne O[C@]1(C(F)(F)F)C[C@@](O)(C(F)(F)F)Nc2cc(-c3ccccc3)nn21 ZINC000013123724 FF Annotated Anodyne O[C@]1(C(F)(F)F)C[C@](O)(C(F)(F)F)n2nc(-c3ccccc3)cc2N1 ZINC000013123725 FF Annotated Anodyne Cc1nnc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C2CC2)N3)s1 ZINC000013123776 FF Annotated Anodyne Cc1nnc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](C2CC2)N3)s1 ZINC000013123777 FF Annotated Anodyne Cc1nnc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](C2CC2)N3)s1 ZINC000013123778 FF Annotated Anodyne Cc1nnc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C2CC2)N3)s1 ZINC000013123779 FF Annotated Anodyne CCOC1=C/C(=C/Nn2c(C)nc3sc(C)c(C)c3c2=O)C=CC1=O ZINC000013123847 FF Annotated Mild O=C1C=CC(=CNNC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)[nH]n2)C=C1 ZINC000013125006 FF Annotated Reactive COC1=CC(=CNn2c(-c3ccccc3)n[nH]c2=S)C=C(OC)C1=O ZINC000013125048 FF Annotated Mild O=C1C=Cc2ccccc2/C1=C/NNC(=O)c1cncc(Br)c1 ZINC000013125123 FF Annotated Reactive COC1=CC=C/C(=C\NNC(=O)CCCc2ccc(OC)c(C)c2)C1=O ZINC000013125611 FF Annotated Reactive O=C(NN/C=C1\C=CC(=O)c2ncccc21)c1cccc(Br)c1 ZINC000013125613 FF Annotated Reactive CSc1nnc(C(C)(C)C)c(=O)n1N/C=C1\C(=O)C=Cc2ccccc21 ZINC000013125709 FF Annotated Mild CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1cccs1 ZINC000013125854 FF Annotated Anodyne CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1cccs1 ZINC000013125856 FF Annotated Anodyne Cc1nnc(-c2ccccc2)c(=O)n1N/C=C1\C(=O)C=Cc2ccccc21 ZINC000013125995 FF Annotated Mild Cc1cc(SCC(=O)NN/C=C2\C=CC(=O)C=C2O)nc2ccccc12 ZINC000013126053 FF Annotated Reactive Cc1cc(SCC(=O)NN/C=C2/C=CC(=O)C(O)=C2)nc2ccccc12 ZINC000013126055 FF Annotated Reactive CNC(=O)c1ccc(NC2=NNC(=C3C=CC(=O)C=C3)c3ccccc32)cc1 ZINC000013126122 FF Annotated Mild O=C1C=CC(Br)=C/C1=C\NNC(=O)c1ccccc1Cl ZINC000013126138 FF Annotated Reactive O=C(NN/C=C1\C=NN=C1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000013126187 FF Annotated Reactive COC1=C/C(=C(\C)NN2CCN(Cc3ccc(C)cc3)CC2)C=CC1=O ZINC000013130304 FF Annotated Mild CCN(CC)C1=CC(=O)/C(=C/NN2CCN(c3ccccc3)CC2)C=C1 ZINC000013130444 FF Annotated Mild CCOC1=CC=C/C(=C\NN2CCN(c3ccc(Cl)cc3)CC2)C1=O ZINC000013130491 FF Annotated Mild CCN(CC)C1=CC(=O)/C(=C/NN2CCN(Cc3ccccc3)CC2)C=C1 ZINC000013130505 FF Annotated Mild CC1=NN(c2ccccc2)C(=O)/C1=C/NNc1nncc(-c2ccccc2)n1 ZINC000013130725 FF Annotated Clean O=C(Cc1ccccc1)NN/C=C1\C=C(Br)C=C(Cl)C1=O ZINC000013130810 FF Annotated Reactive CC[C@@H]1CCCCN1CCCNC(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000013131642 FF Annotated Anodyne aggregator CC[C@H]1CCCCN1CCCNC(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000013131644 FF Annotated Anodyne aggregator OCCN(/C=N/c1nc(-c2ccc(Br)cc2)cs1)CCO ZINC000013132996 FF Annotated Mild CN(C)CCCNC(=S)/N=c1\sccn1Cc1ccccc1Cl ZINC000013135823 FF Annotated Anodyne O=C1[C@H]2[C@@H]3CC[C@@H](C3NCc3ccccc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013136269 FF Annotated Anodyne COc1ccc2c(c1)O[C@@]1(C)C[C@@H]2[C@@H](C(=O)c2ccccc2OC)C(=O)N1 ZINC000013139556 FF Annotated Anodyne COc1ccc2c(c1)O[C@]1(C)C[C@H]2[C@@H](C(=O)c2ccccc2OC)C(=O)N1 ZINC000013139557 FF Annotated Anodyne COc1ccc(N/N=C(/C(N)=O)C2=NC(C)(C)Cc3ccccc32)cc1 ZINC000013142536 FF Annotated Mild C[C@@H]1C(=O)CCCCCCCCC[C@@H]2[C@@]1(N1CCOCC1)CS2(=O)=O ZINC000013143511 FF Annotated Anodyne C[C@H]1C(=O)CCCCCCCCC[C@@H]2[C@@]1(N1CCOCC1)CS2(=O)=O ZINC000013143513 FF Annotated Anodyne C[C@@H]1C(=O)CCCCCCCCC[C@H]2[C@@]1(N1CCOCC1)CS2(=O)=O ZINC000013143514 FF Annotated Anodyne C[C@H]1C(=O)CCCCCCCCC[C@H]2[C@@]1(N1CCOCC1)CS2(=O)=O ZINC000013143516 FF Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1CCO ZINC000013144485 FF Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1CCO ZINC000013144487 FF Annotated Anodyne CC(=O)c1ccc(N/N=C(/C(N)=O)C2=NC(C)(C)Cc3ccccc32)cc1 ZINC000013145035 FF Annotated Mild COc1ccc(NC(=O)[C@H]2C(=O)N[C@]3(C)C[C@H]2c2ccccc2O3)cc1 ZINC000013147474 FF Annotated Anodyne C/C(CC(=O)Nc1cc(C)ccn1)=N/NC(=O)COc1cccc(C)c1 ZINC000013152128 FF Annotated Reactive Cc1cccc(C)c1OC(=O)CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 ZINC000013153446 FF Annotated Anodyne Cc1cccc(C)c1OC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 ZINC000013153447 FF Annotated Anodyne Cc1cccc(OC(=O)CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)c1C ZINC000013153497 FF Annotated Anodyne Cc1cccc(OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1C ZINC000013153498 FF Annotated Anodyne Cc1cc(C)cc(OC(=O)CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)c1 ZINC000013153506 FF Annotated Anodyne Cc1cc(C)cc(OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1 ZINC000013153507 FF Annotated Anodyne NC(N)=N/N=C/c1c(-c2ccc(Cl)cc2)nc2sc(Cl)cn12 ZINC000013219199 FF Annotated Mild CC(C)=CC(=O)c1[nH]c2ccccc2c1CC(=O)NCCc1cncn1C ZINC000013219760 FF Annotated Mild COc1cc([C@@H]2Oc3c(OC)cc(C(C)=O)cc3[C@H]2CO)cc(OC)c1O ZINC000013305870 FF Annotated Anodyne COc1cc([C@H]2Oc3c(OC)cc(C(C)=O)cc3[C@@H]2CO)cc(OC)c1O ZINC000013305873 FF Annotated Anodyne in-vitro biogenic CCO[C@H]1c2c(c(OC)c(OC)c(C(C)=O)c2OC)OC(C)(C)[C@H]1O ZINC000013307072 FF Annotated Anodyne CCO[C@@H]1C[C@@H]2c3c(cc(OC)c4c5c(c(=O)oc34)C(=O)CC5)O[C@@H]2O1 ZINC000013308654 FF Annotated Anodyne in-man biogenic CCO[C@H]1C[C@@H]2c3c(cc(OC)c4c5c(c(=O)oc34)C(=O)CC5)O[C@@H]2O1 ZINC000013308656 FF Annotated Anodyne in-man biogenic CCO[C@@H]1C[C@H]2c3c(cc(OC)c4c5c(c(=O)oc34)C(=O)CC5)O[C@@H]2O1 ZINC000013308659 FF Annotated Anodyne in-man biogenic CCO[C@H]1C[C@H]2c3c(cc(OC)c4c5c(c(=O)oc34)C(=O)CC5)O[C@@H]2O1 ZINC000013308661 FF Annotated Anodyne in-man biogenic C/C=C1/CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@H]23)Nc1cc(OC)ccc14 ZINC000013309624 FF Annotated Anodyne C/C=C1/C[N+]2([O-])CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@@H]32)Nc1cc(OC)ccc14 ZINC000013309627 FF Annotated Bother C/C=C1/C[N+]2(C)CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@@H]32)Nc1c(OC)cccc14 ZINC000013309637 FF Annotated Bother Cc1c(O)c(C=O)c(O)c2c(=O)c(Cc3ccc4c(c3)OCO4)coc12 ZINC000013310195 FF Annotated Anodyne in-vitro biogenic CC1=C[C@@H]2c3cc(O)ccc3O[C@@]3(C1)C(=O)C=CC(=O)[C@]23/C=C/C(C)(C)O ZINC000013311210 FF Annotated Mild CC(=O)O[C@H]1C/C=C(\C)C[C@@H](OC(C)=O)[C@H]2[C@H](/C=C/1C)OC(=O)[C@@H]2C ZINC000013323203 FF Annotated Anodyne in-man CC[C@@H](C)C(=O)O[C@H]1C[C@@](C)(O)[C@@H]2CC=C(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000013325591 FF Annotated Anodyne COc1ccc(C[C@H]2COc3c(C)c(OC)c(C=O)c(O)c3C2=O)cc1 ZINC000013327539 FF Annotated Anodyne Cc1cc(=O)c2c(Cc3cc(=O)cc(O)o3)cc3cc(O)cc(O)c3c2o1 ZINC000013328253 FF Annotated Bother Cc1cc(O)cc(O)c1C(=O)c1c(O)cccc1Cc1cc(O)cc(=O)o1 ZINC000013334577 FF Annotated Anodyne COC1=C(C(C)C)C(=O)c2c(O)cc3c(c2C1=O)[C@H]1CC[C@]3(C)C(=O)O1 ZINC000013335631 FF Annotated Mild COC(=O)/C=C(\C)CC[C@@]1(C)[C@H](C)[C@@H](O)[C@H](O)[C@@]2(C)C(C)=CC(=O)C[C@H]12 ZINC000013337329 FF Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\COC(=O)C(C)C)CC[C@@H](OC)C(=C)C(=O)C[C@@H]12 ZINC000013337961 FF Annotated Mild biogenic C=C1C(=O)O[C@H]2[C@H]1CC(=O)[C@H](C)CCC[C@@](C)(O)[C@@H]2OC(=O)[C@H](C)CC ZINC000013338220 FF Annotated Mild COC(=O)c1cc2ccc3c(CCN(C)C)cc(OC)c(O)c3c2c(=O)o1 ZINC000013359368 FF Annotated Bother COc1cc(/C=C/C[C@@]23C[C@@H](C(=O)O)N[C@@H]2Nc2ccccc23)ccc1O ZINC000013360018 FF Annotated Anodyne O=C1NCCC[C@@H](c2c(O)cc3c(c2O)C(=O)C[C@@H](c2ccccc2)O3)N1 ZINC000013371453 FF Annotated Clean in-vitro biogenic O=C1NC(=O)[C@@H](c2c[nH]c3cc(O)ccc23)[C@H]1c1c[nH]c2cc(O)ccc12 ZINC000013372400 FF Annotated Anodyne C[C@@H]1CCC[C@H](c2c(O)cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)O1 ZINC000013374834 FF Annotated Clean C[C@@H]1CCC[C@@H](c2c(O)cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)O1 ZINC000013374836 FF Annotated Clean COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2C)c(O)c1C=O ZINC000013375393 FF Annotated Anodyne in-vitro biogenic COc1cc2c(cc1OC)-c1c(OC)c3c(c4c1[C@@H](C2)NCC4)OCO3 ZINC000013375395 FF Annotated Anodyne COc1cc2c(cc1OC)-c1c(OC)c3c(c4c1[C@H](C2)NCC4)OCO3 ZINC000013375396 FF Annotated Anodyne CC1(C)CCC[C@]2(C)c3c(c(O)c(CO)c4c3[C@@H](O)OC4=O)C(=O)C[C@@H]12 ZINC000013376639 FF Annotated Anodyne COC1=CC(=O)c2c(cc3oc4cc(OC)cc(C)c4c(=O)c3c2O)C1=O ZINC000013376984 FF Annotated Mild COc1cc(OC)c(C(=O)c2c(OC)cc(OC)c(C)c2O)c(O)c1C ZINC000013378070 FF Annotated Anodyne CCC[C@@H](O)C1=C(Br)/C(=C\I)OC1=O ZINC000013379592 FF Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@H](C)[C@@H](OC(C)=O)C/C(=C(/C)COC=O)[C@H]2C=C1C ZINC000013381103 FF Annotated Anodyne CCCCCC(=O)C[C@@H]1C=CC[C@H]2CC(=O)NCCCCNCCCN21 ZINC000013383028 FF Annotated Anodyne in-vitro biogenic COc1ccc2c(c1O)C[N+]1(C)CCc3cc(OC)c(OC)c(O)c3[C@@H]1C2 ZINC000013383100 FF Annotated Clean C=CCc1ccc(O[C@@H](CO)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000013383565 FF Annotated Mild COc1cc2oc(C)cc(=O)c2c2c1C[C@@H](C)[C@@]1(C[C@H](O)C[C@H](C)O1)O2 ZINC000013385305 FF Annotated Anodyne in-vitro biogenic COc1cc2oc(C)cc(=O)c2c2c1C[C@@H](C)[C@@]1(C[C@@H](O)C[C@H](C)O1)O2 ZINC000013385307 FF Annotated Anodyne in-vitro biogenic NC(=O)N[C@H]1CCCOc2cc3c(c(O)c21)C(=O)C[C@@H](c1ccccc1)O3 ZINC000013385548 FF Annotated Clean in-vitro biogenic CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4c(c5ccccc5n4[C@@H]2O)CCN[C@H]13 ZINC000013385696 FF Annotated Anodyne COc1cc(O)c(Cl)c2c1C(=O)c1c(cc(C)c(C(=O)O)c1O)C2=O ZINC000013385916 FF Annotated Clean CCOC(=O)C/C(O)=N/[C@@H](Cc1c[nH]c2cccc(Cl)c12)C(=O)O ZINC000013386793 FF Annotated Mild in-man endogenous CCOC(=O)C/C(O)=N/[C@H](Cc1c[nH]c2cccc(Cl)c12)C(=O)O ZINC000013386794 FF Annotated Mild in-man endogenous CC(=O)[C@H](CC(C)C)NC(=O)/C=C/C=C/C=C/C=C/c1cn(C)c[n+]1C ZINC000013396715 FF Annotated Anodyne Cc1cc(=O)c2c3c(c4c(c2o1)[C@H](O)[C@@H](O)C(C)(C)O4)C=CC(C)(C)O3 ZINC000013404287 FF Annotated Anodyne CC(=O)O[C@H]1Oc2ccccc2-c2c1oc1cc(O)c(O)c(O)c1c2=O ZINC000013404443 FF Annotated Clean C[C@@H]1OC=C2C(=O)n3c4c(c5ccccc53)CCN(C)[C@@H]4C[C@H]2[C@H]1C=O ZINC000013408476 FF Annotated Mild CN1CCc2cc3c(cc2[C@@H]1Cc1ccc2c(c1C=O)OCO2)OCO3 ZINC000013408600 FF Annotated Anodyne CN1CCc2cc3c(cc2[C@@H]1Cc1ccc2c(c1C(=O)O)OCO2)OCO3 ZINC000013408603 FF Annotated Anodyne COc1ccc2c(c1OC)[C@@H](O)[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N+]1(C)[O-] ZINC000013410130 FF Annotated Bother Cc1cc(O)c2c(=O)c3oc4c(c(C)cc5c(=O)ccc(=O)c54)c3c(=O)c2c1 ZINC000013415200 FF Annotated Bother COC(=O)C[C@@]12CCCN3CC[C@@]4(c5ccccc5N(C(C)=O)[C@H]4CC1)[C@@H]32 ZINC000013430694 FF Annotated Anodyne CC(C)=CCOc1ccc(CCN(C)C(=O)/C=C/S(C)(=O)=O)cc1 ZINC000013431341 FF Annotated Anodyne COc1ccc2c(c1)C(=O)c1c(OC)c(OC)c(OC)c3c1C2=NCC3 ZINC000013432684 FF Annotated Clean in-vitro biogenic COc1cc(C)c(C(=O)Oc2c(C)cc(O)c(C)c2O)c(O)c1C(=O)O ZINC000013433618 FF Annotated Anodyne C[C@@]12CC=C[C@@H](O1)c1c(cc3c(c1O)C(=O)c1c(O)cc(O)cc1C3=O)O2 ZINC000013434246 FF Annotated Clean O=C(O)CCCCCC(=O)N1CCC2(CCN(c3ccncc3)CC2)C1 ZINC000013440549 FF Annotated Anodyne O=C(O)CCCCCNC(=O)N1CCC2(CC1)CCN(c1ccncc1)C2 ZINC000013440566 FF Annotated Anodyne COc1cc(NC(=O)C(=O)N(C)c2ccccc2)ccc1-c1cnco1 ZINC000013441238 FF Annotated Anodyne CC(C)(C)NC(=O)C(=O)Nc1ccc(-c2cnco2)c(Br)c1 ZINC000013441272 FF Annotated Anodyne COc1ccc(C(=O)c2c(NC(C)=O)sc3c2CCN(C(C)=O)C3)cc1 ZINC000013442771 FF Annotated Anodyne C[C@H]1SC(=O)NN=C1c1ccc2c(c1)C1(SCCS1)C(=O)N2 ZINC000013447617 FF Annotated Anodyne CNC[C@H](Cc1cc(Br)c(OC)c(Br)c1)OC ZINC000013450558 FF Annotated Anodyne COc1cc2c(cc1OC)-c1c3c(cc4c1[C@H](C2)N(C)C[C@@H]4O)OCO3 ZINC000013451331 FF Annotated Anodyne in-vitro biogenic O=C(NCCN1CCOCC1)c1cc(Cl)cc2c1O[C@H]1CCCC[C@@H]21 ZINC000013451361 FF Annotated Anodyne C[C@@H]1C[C@H](O)[C@@]23CO[C@]2(CO)CCC[C@@H]3[C@@]1(C)C[C@H](O)c1ccoc1 ZINC000013454813 FF Annotated Anodyne COC(=O)/C(=C\C[C@H]1[C@@]2(CC[C@H]3C(C)(C)[C@@H](O)CC[C@]31C)CO2)[C@@H]1CO1 ZINC000013457011 FF Annotated Anodyne C[C@@H]1C[C@@H]2C(=O)C=C3OCO[C@]34Oc3cc5c(cc3[C@@H]([C@@H]24)[C@@H]1C)OCO5 ZINC000013458968 FF Annotated Mild O=Cc1ccn(-c2cc3c(cc2Cl)nc(O)n2nc(C(=O)O)cc32)c1 ZINC000013472586 FF Annotated Anodyne CC1(C)C=C(n2ccccc2=O)c2cc(S(=O)(=O)N=[N+]=[N-])ccc2O1 ZINC000013472631 FF Annotated Clean CC(C)NS(=O)(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)O2 ZINC000013472636 FF Annotated Anodyne COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccccn2)n(C)c1=O ZINC000013473209 FF Annotated Anodyne Cc1ccnc2c1/C(=N/N=C(N)N)C[C@H](c1ccccc1Br)C2 ZINC000013474699 FF Annotated Mild Cc1ccnc2c1/C(=N/N=C(N)N)C[C@@H](c1ccccc1Br)C2 ZINC000013474700 FF Annotated Mild CNC(=O)c1nc(C)c([C@@]2(C)CC(c3cccc([N+](=O)[O-])c3)=NO2)s1 ZINC000013478210 FF Annotated Bother CNC(=O)c1nc(C)c([C@]2(C)CC(c3cccc([N+](=O)[O-])c3)=NO2)s1 ZINC000013478212 FF Annotated Bother Cc1nc(C(=O)N2CCOCC2)sc1[C@@]1(C)CC(c2ccccc2)=NO1 ZINC000013478244 FF Annotated Anodyne Cc1nc(C(=O)N2CCOCC2)sc1[C@]1(C)CC(c2ccccc2)=NO1 ZINC000013478246 FF Annotated Anodyne Cc1ccc(OCC(=O)N/N=C2\SCC(=O)N2Cc2ccccc2)cc1 ZINC000013479359 FF Annotated Reactive COc1c(C)c2c(c(O)c1C=O)C(=O)[C@H](Cc1ccc3c(c1)OCO3)CO2 ZINC000013481903 FF Annotated Anodyne Cc1c(O)c(C=O)c2occ(Cc3ccc4c(c3)OCO4)c(=O)c2c1O ZINC000013481919 FF Annotated Anodyne in-vitro biogenic COc1c(C)c(O)c2c(c1OC)OC[C@H](Cc1ccc(O)c(O)c1)C2=O ZINC000013481992 FF Annotated Clean in-vitro biogenic COc1c(C)c(O)c2c(c1OC)OC[C@@H](Cc1ccc(O)c(O)c1)C2=O ZINC000013481993 FF Annotated Clean Cc1c(O)c(C)c2occ(Cc3ccc4c(c3O)OCO4)c(=O)c2c1O ZINC000013485149 FF Annotated Anodyne in-vitro biogenic Cc1c(O)c(C)c2c(c1O)C(=O)[C@H](Cc1ccc3c(c1O)OCO3)CO2 ZINC000013485150 FF Annotated Anodyne CC(=O)/C=C/[C@H]1[C@](C)(O)[C@@H](O)[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]21C ZINC000013485266 FF Annotated Mild in-man CC(=O)/C=C/[C@@H]1[C@](C)(O)[C@@H](O)[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]21C ZINC000013485267 FF Annotated Mild in-man CC(=O)/C=C/[C@H]1[C@](C)(O)[C@@H](O)[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]21C ZINC000013485268 FF Annotated Mild in-man CC(=O)/C=C/[C@@H]1[C@](C)(O)[C@@H](O)[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]21C ZINC000013485269 FF Annotated Mild in-man CC(=O)/C=C/[C@H]1[C@](C)(O)[C@@H](OC(C)=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@]21C ZINC000013485270 FF Annotated Mild in-man CC(=O)/C=C/[C@@H]1[C@](C)(O)[C@@H](OC(C)=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@]21C ZINC000013485271 FF Annotated Mild in-man CC(=O)/C=C/[C@@H]1[C@](C)(O)[C@@H](OC(C)=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@@]21C ZINC000013485273 FF Annotated Mild in-man CCN1C(=O)C(=Cc2cn(C(C)=O)c3ccccc23)C(=O)N(CC)C1=S ZINC000013487544 FF Annotated Clean CCN1C(=O)C(=Cc2cc(Br)cs2)C(=O)N(CC)C1=S ZINC000013487546 FF Annotated Clean O=C(OCc1ccsc1)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12 ZINC000013492629 FF Annotated Anodyne O=C(Cc1cnn2c1n[n+]([O-])c1ccc(Cl)cc12)OCc1ccsc1 ZINC000013492640 FF Annotated Anodyne O=C(Cc1cnn2c1n[n+]([O-])c1ccc(Cl)cc12)OCc1cccs1 ZINC000013492641 FF Annotated Anodyne COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)CN ZINC000013493211 FF Annotated Anodyne C[C@@H]1C[C@@H]2O[C@@H]2/C=C/C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 ZINC000013515667 FF Annotated Mild C[C@@H]1C[C@@H]2O[C@@H]2/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 ZINC000013515668 FF Annotated Mild C/C=C1/CN2[C@H]3C[C@@H]1[C@](C=O)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12 ZINC000013518813 FF Annotated Mild in-vitro COCC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000013522281 FF Annotated Anodyne COCC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)O)(C2)[C@H]13 ZINC000013522289 FF Annotated Anodyne CC1(C)CN(N2CCCC2=O)c2cc(Br)ccc2[S@]1=O ZINC000013525441 FF Annotated Anodyne CC1(C)CN(N2CCCC2=O)c2cc(Br)ccc2[S@@]1=O ZINC000013525445 FF Annotated Anodyne O=C(O)Cc1cccc2c(=O)c([N+](=O)[O-])c(-c3ccccc3[N+](=O)[O-])oc12 ZINC000013526411 FF Annotated Bother O=C(O)Cc1cccc2c(=O)c([N+](=O)[O-])c(-c3ccc([N+](=O)[O-])cc3)oc12 ZINC000013526422 FF Annotated Bother CCc1ccn2c(=N)c(S(=O)(=O)c3ccccc3)c(SC)nc2c1 ZINC000013528552 FF Annotated Anodyne NC[C@@H](O)CNCCCCNCc1c2ccccc2cc2ccccc12 ZINC000013529678 FF Annotated Bother NC[C@H](O)CNCCCCNCc1c2ccccc2cc2ccccc12 ZINC000013529681 FF Annotated Bother CN1CCN(C2=C(C=O)n3c(C=O)ccc3Sc3ccccc32)CC1 ZINC000013532225 FF Annotated Reactive CCCOC(=O)c1[nH]c(C(=O)NCC2CC2)c(C(=O)OC(C)(C)C)c1C ZINC000013533467 FF Annotated Anodyne CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1CC(=O)N(C)C ZINC000013533558 FF Annotated Anodyne NCC=C1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 ZINC000013534278 FF Annotated Anodyne CC1(N)CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 ZINC000013534297 FF Annotated Anodyne CCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1 ZINC000013537299 FF Annotated Clean COc1c(O)cc(O)c(C(=O)c2c(O)cc(O)cc2O)c1CC=C(C)C ZINC000013539003 FF Annotated Anodyne O=C(Nc1csc(Cc2ccccc2Cl)n1)NN1CCOCC1 ZINC000013553609 FF Annotated Anodyne C[C@H](c1ccccn1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O ZINC000013553676 FF Annotated Bother C[C@@H](c1cccnc1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O ZINC000013553690 FF Annotated Bother C[C@H](c1cccnc1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O ZINC000013553691 FF Annotated Bother C[C@@H](c1ccncc1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O ZINC000013553694 FF Annotated Bother C[C@H](c1ccncc1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O ZINC000013553695 FF Annotated Bother C/C(CC(=O)NC1CCCC1)=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000013555487 FF Annotated Reactive CC(=O)NCc1ccc(-c2csc(/N=C(\N)NCc3ccccc3)n2)o1 ZINC000013557256 FF Annotated Mild C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)N(Cc3ccccc3)C(=O)C2)C1 ZINC000013557419 FF Annotated Anodyne C[C@@]1(CC(=O)O)c2ccc(OC(F)(F)F)cc2-c2nc(O)c(O)nc21 ZINC000013558312 FF Annotated Anodyne C[C@]1(CC(=O)O)c2ccc(OC(F)(F)F)cc2-c2nc(O)c(O)nc21 ZINC000013558313 FF Annotated Anodyne O=C1CC[C@H]([C@H]2c3ccccc3CCN2S(=O)(=O)c2ccccc2)O1 ZINC000013558353 FF Annotated Anodyne O=C1CC[C@H]([C@H]2c3ccccc3CCN2S(=O)(=O)c2cccs2)O1 ZINC000013558360 FF Annotated Anodyne CS(=O)(=O)c1ccc(-c2cc(CO[N+](=O)[O-])nn2C2CCCC2)cc1 ZINC000013560502 FF Annotated Anodyne CCC(=O)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013570941 FF Annotated Anodyne O[C@@H]1O[C@H](c2ccc3c(c2)OCO3)[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@@H]12 ZINC000013572737 FF Annotated Anodyne in-vitro biogenic O[C@H]1O[C@H](c2ccc3c(c2)OCO3)[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@@H]12 ZINC000013572740 FF Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(O)OCC1=N2 ZINC000013580037 FF Annotated Anodyne C/C(=N\N=C(/S)N1CCN(C)CC1)c1cccc(Br)c1 ZINC000013580139 FF Annotated Mild Cc1cc(-c2nnc3c4c(c(OCc5ccccn5)nn23)CCCC4)no1 ZINC000013580835 FF Annotated Anodyne CCCC[C@H](NC(=O)OCC(C)(C)CC)C(=O)C(=O)Nc1ccon1 ZINC000013583750 FF Annotated Anodyne c1c[n+](C[C@@H]2C[C@H]2C[n+]2ccc(N3CCCC3)cc2)ccc1N1CCCC1 ZINC000013584339 FF Annotated Anodyne CC(=O)OCC[S@](=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000013584846 FF Annotated Anodyne CC(=O)OCC[S@@](=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000013584847 FF Annotated Anodyne Cc1nc2c(c(CO)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1 ZINC000013585105 FF Annotated Anodyne Cc1nc2c(c(CCO)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1 ZINC000013585107 FF Annotated Anodyne C=C1C(=O)C[C@H]2C(=C)C(=O)O[C@@H]2/C=C(/COC(=O)C(C)C)CC[C@@H]1OC ZINC000013585304 FF Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/COC(=O)C(C)C)CC[C@@H](OC)C(=C)C(=O)C[C@@H]12 ZINC000013585306 FF Annotated Mild COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1OC ZINC000013586144 FF Annotated Reactive COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1OC ZINC000013586146 FF Annotated Reactive COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1OC ZINC000013586148 FF Annotated Reactive COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1OC ZINC000013586150 FF Annotated Reactive CC(C)c1csc(/C=C/c2ccn3c(=O)c(-c4nnn[nH]4)cnc3c2)n1 ZINC000013587631 FF Annotated Anodyne CN(C)NC(=O)Nc1cccc2c1C(=O)c1c(-c3cccs3)n[nH]c1-2 ZINC000013588745 FF Annotated Reactive CN(C)NC(=O)Nc1cccc2c1C(=O)c1c(-c3ccsc3)n[nH]c1-2 ZINC000013588749 FF Annotated Reactive COCCNC(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 ZINC000013594625 FF Annotated Anodyne CCn1ccnc1CNC(=O)c1cc(COc2ccc(F)cc2F)on1 ZINC000013594671 FF Annotated Anodyne CCc1cc(CNC(=O)CCc2nnc(Cc3cccc(C)c3)o2)on1 ZINC000013595539 FF Annotated Anodyne COC(=O)c1ccc(-c2noc(CN(Cc3nccn3C)C(C)C)n2)cc1 ZINC000013596379 FF Annotated Anodyne Cc1cc(=O)[nH]c(N/N=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)n1 ZINC000013597855 FF Annotated Mild CC(C)NC(=O)CCCn1nc(-c2cccnc2)c2ccccc2c1=O ZINC000013600592 FF Annotated Anodyne Cc1ccc(-c2csc(-n3ncc(C(=O)NCCCO)c3C)n2)cc1 ZINC000013602521 FF Annotated Anodyne CCOC(=O)ON(C(=O)OCC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013603014 FF Annotated Mild CSc1ccc(Cn2cc3c(=O)n(C)c(=O)n(CC(C)C)c3c2)cc1 ZINC000013603246 FF Annotated Anodyne CCNC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2[C@@H]1C)OCO3 ZINC000013604057 FF Annotated Anodyne CCNC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2[C@H]1C)OCO3 ZINC000013604058 FF Annotated Anodyne COc1cc(C/N=C(\S)NCCc2ccccc2)ccc1OCCN ZINC000013604996 FF Annotated Mild CCOC(=O)c1[nH]c2ccc(CCN3CCCC3=O)cc2c1CCN(C)C ZINC000013605913 FF Annotated Anodyne O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1ccc(F)c(Cl)c1 ZINC000013612293 FF Annotated Anodyne O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1cccc2ccccc12 ZINC000013612313 FF Annotated Anodyne N#Cc1c(N)nc(SCCO)c(C#N)c1-c1cccc(OC(F)F)c1 ZINC000013612591 FF Annotated Mild N#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccc(OC(F)F)cc1 ZINC000013612594 FF Annotated Mild C#Cc1ccc([C@@H]2C=C(C(=O)OCC=C)O[C@H](OCCCCO)C2)cc1 ZINC000013634577 FF Annotated Mild CCO[C@H]1OC(C(=O)NCc2ccccc2)=C[C@@H](C2CC2)[C@@H]1CCCO ZINC000013635030 FF Annotated Anodyne Cc1ccccc1C(=O)O/N=C(\C(N)=O)P(=O)(OC(C)C)OC(C)C ZINC000013635325 FF Annotated Mild Cc1nnc(SCc2nc(O)c3c4c(sc3n2)CCCC4)nc1O ZINC000013637272 FF Annotated Anodyne C[C@@H](CN(C)C)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(C#N)cn1 ZINC000013643225 FF Annotated Mild C[C@H](CN(C)C)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(C#N)cn1 ZINC000013643227 FF Annotated Mild N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCn2cncn2)n1 ZINC000013647793 FF Annotated Reactive CC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3cncnc3)c(F)c2)C(=O)O1 ZINC000013648811 FF Annotated Anodyne CCCCN(CCCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000013648896 FF Annotated Bother CNCc1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000013651130 FF Annotated Anodyne CNCc1nccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 ZINC000013651131 FF Annotated Anodyne CN(C(=O)CSc1nc(O)cc(=O)n1C1CCCC1)c1ccccc1 ZINC000013656259 FF Annotated Anodyne C[C@@]1(OC(=O)c2ccc(Cl)nc2)C(=O)C=C2C=C3CCCN3C=C2C1=O ZINC000013656279 FF Annotated Mild C[C@]1(OC(=O)c2ccc(Cl)nc2)C(=O)C=C2C=C3CCCN3C=C2C1=O ZINC000013656282 FF Annotated Mild C[C@@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C3CCCN3C=C2C1=O ZINC000013656291 FF Annotated Mild C[C@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C3CCCN3C=C2C1=O ZINC000013656294 FF Annotated Mild NC(=O)C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCCCCO)O1 ZINC000013656413 FF Annotated Anodyne C#CCNC(=O)C1=C[C@H](C(C)(C)C)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013656429 FF Annotated Mild C#CCNC(=O)C1=C[C@@H](C(C)(C)C)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013656440 FF Annotated Mild NC(=O)C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1 ZINC000013656462 FF Annotated Anodyne CCO[C@@H]1OC(C(N)=O)=C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1CCCO ZINC000013656536 FF Annotated Anodyne CCO[C@@H]1OC(C(=O)NCc2ccccc2)=C[C@H](C2CC2)[C@H]1CCCO ZINC000013656971 FF Annotated Anodyne C#Cc1ccc([C@@H]2C=C(C(=O)NC3CC3)O[C@H](OCC)[C@H]2CCCO)cc1 ZINC000013657309 FF Annotated Mild C#Cc1ccc([C@H]2C=C(C(=O)NC3CC3)O[C@@H](OCC)[C@@H]2CCCO)cc1 ZINC000013657349 FF Annotated Mild O=C(NC1CC1)C1=C[C@H](c2c[nH]c3ccccc23)C[C@H](OCCCCO)O1 ZINC000013657351 FF Annotated Anodyne O=C(NC1CC1)C1=C[C@@H](c2c[nH]c3ccccc23)C[C@@H](OCCCCO)O1 ZINC000013657367 FF Annotated Anodyne CC(C)[C@@H](CO)NC(=O)c1ccc2c3n(nc2c1)-c1ccccc1CO3 ZINC000013657617 FF Annotated Anodyne Cc1ccc2c(c1)COc1c3ccc(C(=O)N[C@@H](CO)C(C)C)cc3nn1-2 ZINC000013657642 FF Annotated Anodyne CN1[C@@H](C(=O)NCCc2cccs2)C[C@@H]2Cn3c(nc4ccccc43)[C@@H]21 ZINC000013660574 FF Annotated Anodyne CN1[C@H](C(=O)NCCc2cccs2)C[C@@H]2Cn3c(nc4ccccc43)[C@@H]21 ZINC000013660578 FF Annotated Anodyne Cc1cc2nc3n(c2cc1C)C[C@H]1C[C@H](C(=O)NCc2ccco2)N(C)[C@@H]31 ZINC000013660793 FF Annotated Anodyne Cc1cc2nc3n(c2cc1C)C[C@H]1C[C@@H](C(=O)NCc2ccco2)N(C)[C@@H]31 ZINC000013660795 FF Annotated Anodyne CC(C)NC(=O)c1onc(CSc2ccccn2)c1C(=O)NC(C)C ZINC000013660823 FF Annotated Anodyne CCCNC(=O)c1onc(CSc2ccccn2)c1C(=O)NCCC ZINC000013660828 FF Annotated Anodyne CCCNC(=O)c1onc(CSc2ccncc2)c1C(=O)NCCC ZINC000013660852 FF Annotated Anodyne C[C@@H](O)[C@H]1CN=C(N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013662161 FF Annotated Anodyne C[C@H](O)[C@H]1CN=C(N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013662163 FF Annotated Anodyne O=C1NC[C@@H](Cc2ccc(O)cc2)N(CCc2cccc3ccccc23)C1=O ZINC000013662238 FF Annotated Anodyne O=C1NC[C@H](Cc2ccc(O)cc2)N(CCc2cccc3ccccc23)C1=O ZINC000013662269 FF Annotated Anodyne O=C(NC(=O)c1ccc(F)cc1Cl)Nc1ccc(C(=O)O)c(O)c1 ZINC000013673945 FF Annotated Anodyne Nc1cc(NC(=O)NC(=O)c2ccc(F)cc2Cl)ccc1C(=O)O ZINC000013673962 FF Annotated Anodyne Nc1nn(COCCO)c2nnc(-c3ccccc3)c(-c3ccccc3)c12 ZINC000013674804 FF Annotated Anodyne CCc1cc(Nc2cc(=O)n(CCCCCOC(C)=O)c(=O)[nH]2)ccc1C ZINC000013674945 FF Annotated Anodyne CCS(=O)(=O)[C@@H]1C[C@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000013675702 FF Annotated Anodyne CCS(=O)(=O)[C@H]1C[C@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000013675704 FF Annotated Anodyne CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@H]2C(=O)NCC#N)cc1 ZINC000013680842 FF Annotated Mild CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/[C@H]2CC=CCC2)c1 ZINC000013682994 FF Annotated Mild CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/[C@@H]2CC=CCC2)c1 ZINC000013682999 FF Annotated Mild COC(=O)/N=C/c1c(NCc2ccccc2)nc2c(C)cccn2c1=O ZINC000013685615 FF Annotated Mild O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c(Cl)c(Cl)c1O ZINC000013687288 FF Annotated Anodyne N#C[C@@H]1CC[C@H](C#N)N1C(=O)CNC1(COC2CCCCC2)CCCC1 ZINC000013687467 FF Annotated Mild CC(C)CCNCc1cccc(C(=O)c2csc(S(N)(=O)=O)c2)c1 ZINC000013727872 FF Annotated Anodyne CC(C)(C)c1cc(/C=C2\OC(NC(=N)N)=NC2=O)cc(C(C)(C)C)c1O ZINC000013734193 FF Annotated Anodyne CN1C(NC(=N)N)=NC(=O)/C1=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000013734199 FF Annotated Anodyne CC(C)(C)ONC(=O)Cc1cc(/N=C/c2cc(O)ccc2O)ccc1O ZINC000013735363 FF Annotated Mild C#CCN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O ZINC000013738801 FF Annotated Mild N=C(N)c1ccc(-c2ccc(C3=CC[C@@](O)(CC(=O)O)CC3)cn2)cc1 ZINC000013739733 FF Annotated Anodyne N=C(N)c1ccc(-c2ccc(C3=CC[C@](O)(CC(=O)O)CC3)cn2)cc1 ZINC000013739734 FF Annotated Anodyne C[n+]1cccnc1NCCCCCCCCCCNc1nccc[n+]1C ZINC000013740387 FF Annotated Anodyne CC(C)=CC[C@@H](OC(=O)CCl)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000013740801 FF Annotated Reactive COc1cccc(CCNC(=N)N/N=C/c2c[nH]c3ccc(O)cc23)c1 ZINC000013741837 FF Annotated Mild CCCCCN/C(N)=N/N=C/c1c[nH]c2ccc(OC(=O)N(C)C)cc12 ZINC000013741859 FF Annotated Mild CN(C)c1ccccc1C[S@@](=O)c1nccn1CCc1ccccn1 ZINC000013746073 FF Annotated Anodyne CN(C)c1ccccc1C[S@](=O)c1nccn1CCc1ccccn1 ZINC000013746075 FF Annotated Anodyne COc1cccnc1-n1ccnc1[S@@](=O)Cc1ccccc1N(C)C ZINC000013746081 FF Annotated Anodyne COc1cccnc1-n1ccnc1[S@](=O)Cc1ccccc1N(C)C ZINC000013746083 FF Annotated Anodyne COc1ccnc(-n2ccnc2[S@@](=O)Cc2ccccc2N(C)C)c1 ZINC000013746105 FF Annotated Anodyne COc1ccnc(-n2ccnc2[S@](=O)Cc2ccccc2N(C)C)c1 ZINC000013746107 FF Annotated Anodyne COc1ccc(-n2ccnc2[S@@](=O)Cc2ccccc2N(C)C)nc1 ZINC000013746117 FF Annotated Anodyne COc1ccc(-n2ccnc2[S@](=O)Cc2ccccc2N(C)C)nc1 ZINC000013746119 FF Annotated Anodyne CN(C)c1ccccc1C[S@@](=O)c1nccn1-c1ccc([N+](=O)[O-])cn1 ZINC000013746133 FF Annotated Bother CN(C)c1ccccc1C[S@](=O)c1nccn1-c1ccc([N+](=O)[O-])cn1 ZINC000013746135 FF Annotated Bother CN(C)c1ccccc1C[S@@](=O)c1nccn1-c1ccc(C#N)cn1 ZINC000013746137 FF Annotated Mild CN(C)c1ccccc1C[S@](=O)c1nccn1-c1ccc(C#N)cn1 ZINC000013746139 FF Annotated Mild COc1cccc(-n2ccnc2[S@@](=O)Cc2ccccc2N(C)C)n1 ZINC000013746149 FF Annotated Anodyne COc1cccc(-n2ccnc2[S@](=O)Cc2ccccc2N(C)C)n1 ZINC000013746151 FF Annotated Anodyne COc1cc(C)nc(-n2ccnc2[S@@](=O)Cc2ccccc2N(C)C)c1 ZINC000013746157 FF Annotated Anodyne COc1cc(C)nc(-n2ccnc2[S@](=O)Cc2ccccc2N(C)C)c1 ZINC000013746159 FF Annotated Anodyne COc1cccnc1-n1ccnc1[S@@](=O)Cc1ccccc1NC(C)=O ZINC000013746300 FF Annotated Anodyne COc1cccnc1-n1ccnc1[S@](=O)Cc1ccccc1NC(C)=O ZINC000013746302 FF Annotated Anodyne CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccncc1)/C(=C(/O)OC)C(C)=N2 ZINC000013750307 FF Annotated Anodyne CCCOc1ccc(NC(C)=O)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1 ZINC000013755578 FF Annotated Anodyne CC(C)[C@@H](Sc1nc(S)c2cnn(-c3ccccc3)c2n1)C(N)=O ZINC000013759694 FF Annotated Anodyne CC(C)[C@H](Sc1nc(S)c2cnn(-c3ccccc3)c2n1)C(N)=O ZINC000013759695 FF Annotated Anodyne CCC[C@@H](Sc1nc(S)c2cnn(-c3ccccc3)c2n1)C(N)=O ZINC000013759696 FF Annotated Anodyne CCC[C@H](Sc1nc(S)c2cnn(-c3ccccc3)c2n1)C(N)=O ZINC000013759697 FF Annotated Anodyne CC[C@@H](Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O ZINC000013759700 FF Annotated Anodyne CC[C@H](Sc1nc(SC)c2cnn(-c3ccccc3)c2n1)C(N)=O ZINC000013759701 FF Annotated Anodyne CCCC[C@@H](Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O ZINC000013759714 FF Annotated Anodyne CCCC[C@H](Sc1nc(N)c2cnn(-c3ccccc3)c2n1)C(N)=O ZINC000013759715 FF Annotated Anodyne COc1ccc(F)c(CCN/C(S)=N/c2ccc(C#N)cn2)c1C#N ZINC000013759868 FF Annotated Mild C[C@@](O)(C(=O)Nc1ccc2c(c1)-c1ccccc1S2(=O)=O)C(F)(F)F ZINC000013760229 FF Annotated Anodyne C[C@](O)(C(=O)Nc1ccc2c(c1)-c1ccccc1S2(=O)=O)C(F)(F)F ZINC000013760230 FF Annotated Anodyne COc1ccc(CCNCCOc2cc(F)cc3c2OCC[C@@H]3O)cc1 ZINC000013780391 FF Annotated Anodyne COc1ccc(CCNCCOc2cc(F)cc3c2OCC[C@H]3O)cc1 ZINC000013780392 FF Annotated Anodyne CN(C(=O)c1ccc(C(=N)N)cc1)c1ccc2c(c1)C[C@H](CC(=O)O)CC2 ZINC000013781402 FF Annotated Anodyne CN(C(=O)c1ccc(C(=N)N)cc1)c1ccc2c(c1)C[C@@H](CC(=O)O)CC2 ZINC000013781403 FF Annotated Anodyne CN(CCCCNCc1cccc(-n2cccn2)n1)C(=O)c1ccccc1 ZINC000013782314 FF Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](C#CCCCc2ccccc2)C=C[C@@H]1OC(C)=O ZINC000013782944 FF Annotated Mild CC(=O)OC[C@H]1O[C@H](C#CCCCc2ccccc2)C=C[C@@H]1OC(C)=O ZINC000013782945 FF Annotated Mild FC(F)(F)c1cc(-c2ccccc2)nnc1NCCN1CCOCC1 ZINC000013794258 FF Annotated Anodyne Fc1cc(Cl)cc(C#CCOc2nsnc2C23CN4C[C@H]2[C@H]3C4)c1 ZINC000013798014 FF Annotated Mild Fc1cc(F)cc(C#CCSc2nsnc2C23CN4C[C@H]2[C@H]3C4)c1 ZINC000013798045 FF Annotated Mild C[C@@]1(CNCC2CCN(c3ncccn3)CC2)COc2ccccc2O1 ZINC000013799859 FF Annotated Anodyne C[C@]1(CNCC2CCN(c3ncccn3)CC2)COc2ccccc2O1 ZINC000013799862 FF Annotated Anodyne C[C@@H]1Oc2ccccc2O[C@@H]1CNCC1CCN(c2ncccn2)CC1 ZINC000013799864 FF Annotated Anodyne C[C@H]1Oc2ccccc2O[C@@H]1CNCC1CCN(c2ncccn2)CC1 ZINC000013799865 FF Annotated Anodyne C[C@@H]1Oc2ccccc2O[C@H]1CNCC1CCN(c2ncccn2)CC1 ZINC000013799868 FF Annotated Anodyne C[C@H]1Oc2ccccc2O[C@H]1CNCC1CCN(c2ncccn2)CC1 ZINC000013799871 FF Annotated Anodyne CCOC(=O)CCCn1cc(Br)c2cc(O)c(O)cc2c1=O ZINC000013800919 FF Annotated Clean CCOC(=O)CCCn1cc(C(C)=O)c2cc(OC)c(OC)cc2c1=O ZINC000013800926 FF Annotated Anodyne CCOC(=O)CCCn1c(N=[N+]=[N-])nc2cc(OC)c(OC)cc2c1=O ZINC000013800954 FF Annotated Mild CCOC(=O)CCCn1cc(F)c2c(F)c(OC)c(OC)cc2c1=O ZINC000013800985 FF Annotated Anodyne CCOC(=O)CCCn1cnc2cc(OC)c(OC)c(N=[N+]=[N-])c2c1=O ZINC000013801008 FF Annotated Mild C[C@@H](/N=c1\c(O)c(O)\c1=N/c1cncc(Br)c1)C(C)(C)C ZINC000013806325 FF Annotated Anodyne C[C@H](/N=c1\c(O)c(O)\c1=N/c1cncc(Br)c1)C(C)(C)C ZINC000013806327 FF Annotated Anodyne CCOC(=O)C1=C(C)c2ccccc2N(C(=O)OC)[C@@]1(C)C(=O)OCC ZINC000013814100 FF Annotated Anodyne CCOC(=O)C1=C(C)c2ccccc2N(C(=O)OC)[C@]1(C)C(=O)OCC ZINC000013814104 FF Annotated Anodyne CCOC(=O)[C@@H]1Oc2ccccc2C(c2ccc(OC)cc2)=C1C(=O)OC ZINC000013814147 FF Annotated Anodyne CCOC(=O)[C@H]1Oc2ccccc2C(c2ccc(OC)cc2)=C1C(=O)OC ZINC000013814150 FF Annotated Anodyne COC(=O)C(C(=O)OC)[C@@H]1c2ccccc2C=C(C2CC2)N1C(=O)OC ZINC000013815291 FF Annotated Anodyne CCCCC1=CC2=C(OC(C)=O)C(=O)[C@@](C)(OC(=O)CC)C(=O)C2=CO1 ZINC000013815535 FF Annotated Mild CCCCC1=CC2=C(OC(C)=O)C(=O)[C@](C)(OC(=O)CC)C(=O)C2=CO1 ZINC000013815539 FF Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3cccs3)C(=O)C2=CO1 ZINC000013815573 FF Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3cccs3)C(=O)C2=CO1 ZINC000013815576 FF Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C2=CO1 ZINC000013815666 FF Annotated Mild COC/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C2=CO1 ZINC000013815670 FF Annotated Mild CSCC[C@@H](CN1CC=CC1)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000013816968 FF Annotated Bother CCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)CC)C(=O)C2=CN1CCOC ZINC000013817081 FF Annotated Mild CCCCC1=CC2=CC(=O)[C@](C)(OC(=O)CC)C(=O)C2=CN1CCOC ZINC000013817085 FF Annotated Mild COCC(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@@H](C)C3 ZINC000013817417 FF Annotated Anodyne CCc1c(OC)nc2nc(-c3noc(C)n3)c(Br)n2c1C ZINC000013822383 FF Annotated Anodyne CCCCNC(=O)c1ccc(S(=O)(=O)Oc2ccc(C=O)cc2)cc1 ZINC000013823402 FF Annotated Anodyne COc1ccc2c(C(=O)N(C)CC(N)=O)ccc(F)c2c1C(F)(F)F ZINC000013823611 FF Annotated Anodyne CN(C)C(=O)Cn1c(-c2ccc(Br)cc2)nc2cccnc21 ZINC000013824781 FF Annotated Anodyne CC(=O)Oc1ccc2nc(-c3ccc(Cl)cc3)n(CC(=O)N(C)C)c2n1 ZINC000013824879 FF Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@H]2C=[N+]3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 ZINC000013826677 FF Annotated Anodyne COc1cccc(COc2ccc(C3=NN(CCC#N)C(=O)CO3)cc2)c1 ZINC000013826736 FF Annotated Mild COc1ccc(COc2ccc(C3=NN(CCC#N)C(=O)CO3)cc2)cc1 ZINC000013826739 FF Annotated Mild O=C1C[C@H](c2ccccc2Cl)N1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000013828827 FF Annotated Bother C[C@@H]1C(=O)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC000013828837 FF Annotated Bother C[C@H]1C(=O)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC000013828839 FF Annotated Bother COC(=O)C1=C(C)N(CCCCCC(=O)O)C(=O)N[C@@H]1c1ccccc1 ZINC000013828908 FF Annotated Anodyne COC(=O)C1=C(C)N(CCCCCC(=O)O)C(=O)N[C@H]1c1ccccc1 ZINC000013828910 FF Annotated Anodyne O=C(NCc1ccccn1)[C@]1(C(F)(F)F)C/C(=C\CCO)CCCO1 ZINC000013829183 FF Annotated Anodyne O=C(NCc1ccccn1)[C@@]1(C(F)(F)F)C/C(=C\CCO)CCCO1 ZINC000013829185 FF Annotated Anodyne C=C1CCN([C@H](Cc2ccccc2)C(=O)O)S(=O)(=O)c2ccccc21 ZINC000013830167 FF Annotated Mild CC(=O)Nc1ccc(SCCN2CCN(CC(C)C)CCC2=O)cc1 ZINC000013830399 FF Annotated Anodyne CC1(C)C(=O)c2ccc(Br)cc2[C@@H](n2ccccc2=O)[C@@H]1O ZINC000013832148 FF Annotated Anodyne CC1(C)C(=O)c2cc(Br)ccc2[C@@H](n2ccccc2=O)[C@@H]1O ZINC000013832150 FF Annotated Anodyne CC1(C)C(=O)c2ccc(Br)cc2[C@@H](N2CCCC2=O)[C@@H]1O ZINC000013832174 FF Annotated Anodyne CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccnc1)/C(=C(/O)OC)C(C)=N2 ZINC000013837528 FF Annotated Anodyne CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccnc1)/C(=C(\O)OC)C(C)=N2 ZINC000013837531 FF Annotated Anodyne O=C(O)Cc1nn(Cc2nc3cc(F)ccc3s2)c(=O)c2ccccc12 ZINC000013860743 FF Annotated Anodyne Cn1c(-c2cccs2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 ZINC000013861447 FF Annotated Mild Cn1c(-c2ccccc2F)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 ZINC000013861449 FF Annotated Mild Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 ZINC000013861450 FF Annotated Mild Cn1c(-c2ccc(F)cc2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 ZINC000013861451 FF Annotated Mild Cn1c(-c2cccc(C#N)c2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 ZINC000013861454 FF Annotated Mild Cc1cccc(-c2nc3c(N)nc(C#CC4(O)CCCCC4)nc3n2C)c1 ZINC000013861456 FF Annotated Mild CCC(O)(C#Cc1nc(N)c2nc(-c3cccc(F)c3)n(C)c2n1)CC ZINC000013861461 FF Annotated Mild CCCn1cnc(Cc2c(Cl)c(Cl)cc3[nH]c(=O)c(=O)[nH]c23)c1 ZINC000013863002 FF Annotated Anodyne CC(C)[C@@H](C)Nc1nc2ccc(I)cc2c(=O)[nH]1 ZINC000013863544 FF Annotated Anodyne CC(C)[C@H](C)Nc1nc2ccc(I)cc2c(=O)[nH]1 ZINC000013863545 FF Annotated Anodyne Cc1nc2cccc(F)c2c(N)c1CN[C@@]1(C(F)(F)F)CCC(=O)O1 ZINC000013864113 FF Annotated Anodyne Cc1nc2cccc(F)c2c(N)c1CN[C@]1(C(F)(F)F)CCC(=O)O1 ZINC000013864114 FF Annotated Anodyne O=c1[nH]c2ccccc2n1CCCNCc1cc2c(cc1Cl)OCO2 ZINC000013864298 FF Annotated Anodyne CC(C)(O)[C@@H]1Cc2c(O)ccc(-c3coc4cc(O)cc(O)c4c3=O)c2O1 ZINC000013864662 FF Annotated Anodyne CC(C)(O)[C@H]1Cc2c(O)ccc(-c3coc4cc(O)cc(O)c4c3=O)c2O1 ZINC000013864663 FF Annotated Anodyne Cc1ccc(S(=O)(=O)n2cc3c4c(cccc42)[C@H](O)[C@@H](N(C)C)C3)cc1 ZINC000013864770 FF Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2C(=O)N(C)[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 ZINC000013878690 FF Annotated Anodyne COc1ccc2c(c1OC)CC[C@H](N[C@@H](C)[C@@H](O)c1ccc(O)cc1)C2 ZINC000013890655 FF Annotated Anodyne investigational CCCNC1=NC(=O)[C@@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 ZINC000013901536 FF Annotated Anodyne CCOC1=NC(=O)[C@@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 ZINC000013901540 FF Annotated Anodyne CC(C)NC1=NC(=O)[C@@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 ZINC000013901554 FF Annotated Anodyne COCC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@@H]13 ZINC000013910637 FF Annotated Anodyne Cc1nc(N2CCN(CC[C@H]3NC(=O)c4ccccc43)CC2)sc1C ZINC000013916748 FF Annotated Anodyne C[C@@H](c1ccccn1)n1nc(O)c2[nH]c3cc(Cl)ccc3c(=O)c2c1=O ZINC000013919740 FF Annotated Bother COCC[C@H](C(=O)Oc1c(OC)cccc1OC)N1CCCCCC1 ZINC000013972573 FF Annotated Anodyne COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)[C@H](O)C2)cc1 ZINC000013975249 FF Annotated Mild CN1CCC(C2=C(C#N)[C@H](c3cccc4nonc34)c3c[nH]nc3N2)CC1 ZINC000013975648 FF Annotated Reactive N#Cc1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000013980684 FF Annotated Mild O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000013980687 FF Annotated Bother Cc1c(/N=C2\O[C@@H](C(F)(F)F)[C@@H]3[C@@H](O)CCN23)ccc(C#N)c1Cl ZINC000013982536 FF Annotated Mild in-vivo CCNC(=O)N(c1ccc(OC)cc1)c1ccnc(N[C@@H](C)C(C)(C)O)n1 ZINC000013986051 FF Annotated Anodyne CN1CC[C@@]2([C@@]34CCN[C@@H]3N(C)c3ccccc34)c3ccccc3N(C)[C@@H]12 ZINC000135638999 FF Annotated Anodyne CNCCCN(C)c1nccc([C@@H](C#N)c2nc3ccccc3s2)n1 ZINC000135736111 FF Annotated Mild CNCCCN(C)c1nccc([C@H](C#N)c2nc3ccccc3s2)n1 ZINC000135736155 FF Annotated Mild N#Cc1c2n(c3c(N4CCN(c5ccccc5)CC4)ncnc13)CCCC2 ZINC000135915126 FF Annotated Anodyne CC1=C[C@@H]2c3c(O)ccc(O)c3[C@@]3(C1)C(=O)C=CC(=O)[C@@]23/C=C/C(C)(C)O ZINC000135938349 FF Annotated Mild Cc1cc2c(c(=O)o1)C=C1[C@]3(CC(C)(C)C[C@H]3[C@H](O)[C@]3(C)C[C@]13C=O)O2 ZINC000135958750 FF Annotated Mild Cc1cccc(C)c1OC(=O)CSC1=NN/C(=C2\C=CC=CC2=O)O1 ZINC000136062683 FF Annotated Mild C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2C[C@@H](OC(=O)[C@H]2C)[C@@](C)(O)CC[C@@H]1O ZINC000136174196 FF Annotated Mild COc1cc2c(cc1OC)C(=O)c1c([nH]c3cc(OC)c(OC)cc13)C2=O ZINC000136322023 FF Annotated Clean C[C@@H]1CCCN(C(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)O2)C1 ZINC000136406480 FF Annotated Anodyne CO[C@@]12CC[C@]3(C)[C@H](CC[C@@]45C[C@@H](CC[C@H]43)[C@@](O)(CO)C5)C1=CC(=O)O2 ZINC000136451418 FF Annotated Anodyne C[C@@H]1C=C2C(=O)C=C3OCO[C@@]34Oc3cc5c(cc3[C@H]([C@@H]24)[C@@H]1C)OCO5 ZINC000136534034 FF Annotated Mild CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)C[C@@H](c5ccccc54)[C@H]3C2=O)cc1 ZINC000136553174 FF Annotated Anodyne C/C(=C\C[C@@H](O)[C@](C)(Cl)CBr)[C@@H](O)CBr ZINC000136686218 FF Annotated Reactive C/C=C(/C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]2[C@]1(C)O ZINC000136780150 FF Annotated Mild C[C@H]1CCCN(C(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)O2)C1 ZINC000136872073 FF Annotated Anodyne CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)CC[C@]2(C)CCC1 ZINC000137649401 FF Annotated Anodyne CC[C@H]1Cc2c(O)c3c(c(O)c2[C@H](O)C1)C(=O)c1c(O)cccc1C3=O ZINC000137856552 FF Annotated Clean C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H]1O[C@@]1(C)C/C=C/[C@@](C)(O)CC[C@H]2O ZINC000138030632 FF Annotated Mild Cc1c(C(=O)/C=C/c2ccc3c(c2)OCO3)[n+](=O)c2ccccc2n1O ZINC000138190552 FF Annotated Mild Cc1c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[n+](=O)c2ccccc2n1O ZINC000138190803 FF Annotated Mild C/C(=C\C[C@@H](O)[C@](C)(Br)CCl)[C@@H](O)CBr ZINC000138191262 FF Annotated Reactive Cc1c(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[n+](=O)c2ccccc2n1O ZINC000138192122 FF Annotated Mild COC1=C(C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)C=C(O)C(=O)[C@]4(C)[C@@H](C1=O)[C@@]32C ZINC000138340903 FF 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)CC[C@H]2O ZINC000138350164 FF Annotated Mild O=NC=C1C=CN(COCC#CCOCN2C=CC(=CN=O)C=C2)C=C1 ZINC000138421879 FF Annotated Mild COC(=O)[C@@H]1C[C@]23CC[C@@]14Nc1ccccc1[C@@]41CCN(CC[C@@H]2OC)[C@@H]31 ZINC000138462921 FF Annotated Anodyne CO[C@@H]1CO[C@@H](Oc2cc(C)c3c(c2)/C(=C/Cl)CCN3)[C@H](OC)[C@H]1O ZINC000138508910 FF Annotated Anodyne Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3N3CCCN23)cc1 ZINC000138548943 FF Annotated Anodyne CC(=O)N1c2ccccc2[C@@]23CCN(C)/C=C4/[C@@H](C)OC[C@@H]([C@H]12)[C@H]4CC3=O ZINC000138574402 FF Annotated Anodyne COC(=O)C[C@@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C)[C@@H]4CC1)[C@H]32 ZINC000138703186 FF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@]2(O)[C@@H](O)CC[C@H](C)[C@@]12C ZINC000138800674 FF Annotated Anodyne COC(=O)Cc1nnn2c1[C@H](C)[C@@H](OC)c1ccc(C(F)(F)F)cc1-2 ZINC000138805688 FF Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cc1cccnc1)C1CC1 ZINC000139044657 FF Annotated Anodyne O=C(Cn1c(=O)n(-c2ccc3c(c2)OCO3)c2ncccc21)c1ccccc1 ZINC000139093762 FF Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)Oc1ccc2ccccc2c1 ZINC000139137001 FF Annotated Anodyne C=C(C)[C@H]1CC(=O)[C@@H](OCC)CC(=O)/C=C(\C)C[C@H]2C=C(CC1=O)C(=O)O2 ZINC000139294818 FF Annotated Mild COC(=O)c1ccc(-c2c(C#N)n(O)c3cc(Cl)ccc3[n+]2=O)cc1 ZINC000139308165 FF Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@]2(O)CC(=O)C([C@@H](C)C(=O)O)=C[C@]2(C)[C@H]1C ZINC000139345577 FF Annotated Mild CC1(C)[C@H]2CO[C@@]3(C)C(=O)[C@@]1(C)C1=C(C(=O)C[C@@H](c4ccccc4)O1)[C@]23O ZINC000139393572 FF Annotated Mild CC1(C)[C@@H]2CO[C@@]3(C)C(=O)[C@@]1(C)C1=C(C(=O)C[C@@H](c4ccccc4)O1)[C@]23O ZINC000139393699 FF Annotated Mild CC1(C)[C@H]2CO[C@@]3(C)C(=O)[C@@]1(C)C1=C(C(=O)C[C@H](c4ccccc4)O1)[C@]23O ZINC000139393816 FF Annotated Mild CC1(C)[C@@H]2CO[C@@]3(C)C(=O)[C@@]1(C)C1=C(C(=O)C[C@H](c4ccccc4)O1)[C@]23O ZINC000139393951 FF Annotated Mild Cc1cc(=[N+](C)C)cc2sc3cc(N4CCN(C)CC4)cc(C)c3nc1-2 ZINC000139536029 FF Annotated Bother in-vivo CC1(C)C[C@H]([C@]23CC[C@](O)(CO2)[C@H](Cl)[C@H]3O)CC[C@@H]1Br ZINC000139550451 FF Annotated Reactive C=CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(C)n1CC ZINC000139682296 FF Annotated Mild C=CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(C)n1CC ZINC000139682432 FF Annotated Mild Nc1ncnc2ccc(Cc3nnc4ccc(-c5ccccc5)nn34)cc12 ZINC000139682932 FF Annotated Anodyne C=C1C[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@]4(C)CN(CCO)[C@@H]1O[C@@H]3[C@@H](O)[C@H]42 ZINC000139737851 FF Annotated Mild C=C1C(=O)O[C@H]2[C@H](OC(=O)[C@H](C)CC)[C@](C)(O)CCC[C@H](C)C(=O)C[C@H]12 ZINC000139764287 FF Annotated Mild COc1ccc2c(OCc3nnc4ccc(C(=O)O)cn34)ccnc2c1 ZINC000139909461 FF Annotated Anodyne CC1(C)C=C(n2ccccc2=O)c2cc(OS(=O)(=O)F)ccc2O1 ZINC000014096570 FF Annotated Unstable Cc1nn(C)cc1CN(C)CC(=O)Nc1ccc(Br)cc1 ZINC000014191960 FF Annotated Anodyne O=[P@]1(N(CCCl)CCCl)N[C@H](OO)C[C@@H](c2ccncc2)O1 ZINC000014263393 FF Annotated Reactive COC(=O)[C@@]12COCC=C3C[N+](C)(CC[C@@H]31)Cc1c2[nH]c2ccccc12 ZINC000014421859 FF Annotated Bother COc1c(OC[C@H]2O[C@]2(C)C[C@@H]2C[C@@H](C)C(=O)O2)ccc2ccc(=O)oc12 ZINC000014422402 FF Annotated Anodyne COc1cc([C@H]2Oc3c(ccc(OC)c3OC)[C@H](OC)[C@@H]2O)ccc1O ZINC000014436128 FF Annotated Anodyne COc1cc([C@@H]2CC(=O)c3c(cc(O)c(OC)c3O)O2)cc2c1OCO2 ZINC000014436417 FF Annotated Anodyne in-man COc1cc([C@H]2CC(=O)c3c(cc(O)c(OC)c3O)O2)cc2c1OCO2 ZINC000014436419 FF Annotated Anodyne in-man COc1c(O)cccc1-c1coc2c(OC)c(OC)c(OC)c(O)c2c1=O ZINC000014437413 FF Annotated Anodyne COc1cc2c(cc1-c1coc3cc(O)c(OC)c(O)c3c1=O)OCO2 ZINC000014437417 FF Annotated Anodyne COc1cc2c(cc1-c1coc3cc4c(c(OC)c3c1=O)OCO4)OCO2 ZINC000014437421 FF Annotated Anodyne COc1cc(OC)c(-c2coc3c(OC)c(O)cc(O)c3c2=O)cc1OC ZINC000014437424 FF Annotated Anodyne COc1cc(-c2coc3cc4c(c(OC)c3c2=O)OCO4)cc2c1OCO2 ZINC000014437444 FF Annotated Anodyne COc1cc2c(cc1O)CCCN1CCC3=C[C@H](OC(C)=O)[C@H](OC)C[C@]321 ZINC000014440736 FF Annotated Anodyne COc1cc2c(cc1O)CCCN1CCC3=C[C@H](OC(C)=O)[C@@H](OC)C[C@]321 ZINC000014440737 FF Annotated Anodyne COc1cc2c(cc1O)CCCN1CCC3=C[C@H](OC(C)=O)[C@H](OC)C[C@@]321 ZINC000014440739 FF Annotated Anodyne COc1cc2c(cc1O)CCCN1CCC3=C[C@H](OC(C)=O)[C@@H](OC)C[C@@]321 ZINC000014440741 FF Annotated Anodyne C[C@H]1[C@@H](C)C(=O)c2ccc3c(c2[C@]1(O)c1ccc2c(c1)OCO2)OCO3 ZINC000014447988 FF Annotated Anodyne C[C@@H]1C(=O)c2ccc3c(c2[C@](O)(c2ccc4c(c2)OCO4)[C@H]1C)OCO3 ZINC000014447989 FF Annotated Anodyne CC(=O)c1c(C)cc2cc3c(c(O)c2c1O)C(=O)[C@](C)(O)C(=O)C3(C)C ZINC000014453165 FF Annotated Anodyne C/C=C/C=C/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)C[C@H](C)O)C(=O)C2=CO1 ZINC000014454602 FF Annotated Mild in-vitro COc1cccc2c(=O)c3c(OC[C@@H]4CO4)cc(OC[C@@H]4CO4)cc3oc12 ZINC000140031760 FF Annotated Anodyne COc1cccc2c(=O)c3c(OC[C@H]4CO4)cc(OC[C@@H]4CO4)cc3oc12 ZINC000140031892 FF Annotated Anodyne COc1cccc2c(=O)c3c(OC[C@@H]4CO4)cc(OC[C@H]4CO4)cc3oc12 ZINC000140032001 FF Annotated Anodyne COc1cccc2c(=O)c3c(OC[C@H]4CO4)cc(OC[C@H]4CO4)cc3oc12 ZINC000140032163 FF Annotated Anodyne C/C=C/c1occ([C@@H]2OC(=O)c3cc(OC)cc(OC)c32)c(=O)c1OC ZINC000140069489 FF Annotated Anodyne O=c1c2c([nH]n1-c1ccc(OC(F)F)cc1)[C@@H]1CSCC[C@@H]1N=C2 ZINC000140077378 FF Annotated Anodyne O=c1c2c([nH]n1-c1ccc(OC(F)F)cc1)[C@H]1CSCC[C@@H]1N=C2 ZINC000140077493 FF Annotated Anodyne O=c1c2c([nH]n1-c1ccc(OC(F)F)cc1)[C@@H]1CSCC[C@H]1N=C2 ZINC000140077635 FF Annotated Anodyne O=c1c2c([nH]n1-c1ccc(OC(F)F)cc1)[C@H]1CSCC[C@H]1N=C2 ZINC000140077753 FF Annotated Anodyne O=c1c2c([nH]n1-c1ccc(Cl)cc1)[C@@H]1CN(CC3CC3)CC[C@@H]1N=C2 ZINC000140080089 FF Annotated Anodyne O=c1c2c([nH]n1-c1ccc(Cl)cc1)[C@H]1CN(CC3CC3)CC[C@@H]1N=C2 ZINC000140080238 FF Annotated Anodyne C#C/C=C\[C@@H](Cl)[C@H](O)[C@H]1C[C@H]2O[C@H]2C[C@H](Br)[C@@H](CC)O1 ZINC000140122057 FF Annotated Reactive CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(C#N)cc2)on1 ZINC000140137305 FF Annotated Anodyne N#Cc1cnn(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 ZINC000140156867 FF Annotated Anodyne CCC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@](CCO)(CC[C@@H]12)[C@@H]43 ZINC000140173675 FF Annotated Anodyne N#CC1CCN(c2nccnc2C2CN(c3ncc4ccccc4n3)C2)CC1 ZINC000140189813 FF Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@H]1C[C@H](O)/C(C)=C/C[C@H](O)[C@@]1(C)CC[C@@H]2O1 ZINC000140332061 FF Annotated Mild CC1=C2[C@H](C/C(C)=C/CC[C@H](C)[C@@H]3CC[C@](C)(O3)[C@H](O)[C@H]2O)OC1=O ZINC000140335107 FF Annotated Anodyne CCS(=O)(=O)NCc1cncc(-c2cc3ccc(Cl)nc3n2C)c1 ZINC000140419745 FF Annotated Anodyne CNc1nc2c(C)ccc3nc(N(C)C)nc-3c2n1CCCCCC(=O)O ZINC000140456716 FF Annotated Anodyne C[C@@]1(C(=O)O)COC(=O)C[C@@]2(C)[C@@H]1CC[C@@]1(CO)c3cocc3CC[C@@H]12 ZINC000140493758 FF Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)[C@@](C)(O)CC/C=C(\C)CC[C@@H]2O ZINC000140708970 FF Annotated Mild CC[C@H](C)Cn1c(-c2c(F)cccc2F)c(Cl)nc(C(N)=O)c1=O ZINC000140747272 FF Annotated Anodyne COc1cc2c(cc1O)CCn1c-2cc2cc(OC)c(OC)cc2c1=O ZINC000140883077 FF Annotated Anodyne CC(=O)N=[S@](C)(=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 ZINC000141013789 FF Annotated Bother COC(=O)[C@@H]1C[C@@]23C=CC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@]15CC2)[C@H]34 ZINC000141087357 FF Annotated Bother Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@@H](C)CO)cn1 ZINC000141293970 FF Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@H](C)CO)cn1 ZINC000141294143 FF Annotated Anodyne Cc1ncc(C)n2nc(CCc3nc4c5cccnc5ccc4n3C)nc12 ZINC000141305598 FF Annotated Anodyne in-vitro COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@]21N=C(N)N(C)O1 ZINC000141333983 FF Annotated Mild COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@@]21N=C(N)N(C)O1 ZINC000141334187 FF Annotated Mild COC[C@@]1(O)CC[C@@H]2C1=C[C@@]1(C)CCC(C(C)C)=C1[C@@H](O)[C@H](O)[C@@H]2C ZINC000141350376 FF Annotated Anodyne in-vitro CCNC(=O)c1ccc(OCc2c(-c3ccc(F)cn3)noc2C)nc1 ZINC000141376425 FF Annotated Anodyne C[C@@H](CO)NC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1 ZINC000141391133 FF Annotated Anodyne C[C@H](CO)NC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1 ZINC000141391312 FF Annotated Anodyne O=C(NCCO)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1 ZINC000141402129 FF Annotated Anodyne C/C=C1/C[N+]2([O-])[C@H]3C[C@@H]1[C@](CO)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12 ZINC000141438262 FF Annotated Bother COc1ccc2[nH]c(C)c(CCN3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@@H]4C3=O)c2c1 ZINC000141652237 FF Annotated Anodyne CCOc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1OCC ZINC000141652645 FF Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)Oc1ccc2ccccc2c1 ZINC000141656258 FF Annotated Anodyne N#Cc1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1O ZINC000141669675 FF Annotated Anodyne N#Cc1cccc(-c2nc(N3CCC(C(N)=O)CC3)cc3cccnc23)c1 ZINC000141679015 FF Annotated Anodyne Cc1nc2c(N3CCOCC3)nccn2c1-c1ccc(N2CCCC2)nc1 ZINC000141753619 FF Annotated Anodyne COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)NCc2ccco2)cc1 ZINC000141774712 FF Annotated Anodyne Cc1nc2c(N3CCOCC3)nccn2c1-c1ccc(NC(C)C)nc1 ZINC000141850633 FF Annotated Anodyne Nc1ncnc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000141935243 FF Annotated Mild C=C1CC[C@H]2[C@]3(C=C(C(=O)OC)[C@@H]4C(=O)[C@@H](C(C)C)C[C@](O)(O3)[C@@]42C)C1 ZINC000142010259 FF Annotated Mild C=C1[C@H]2CC[C@@]3([C@H]1O)[C@H](C2)[C@@]12CCC[C@@]4(C)CN(CCO)[C@@H]1O[C@@H]3C[C@H]24 ZINC000142065784 FF Annotated Mild C=C1[C@H]2CC[C@]3([C@H]1O)[C@H]1C[C@@H]4[C@@]5(CCC[C@@]4(C)CN(CCO)[C@@H]5O1)[C@@H]3C2 ZINC000142065982 FF Annotated Mild CCCc1noc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 ZINC000142074150 FF Annotated Anodyne CCCc1noc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1 ZINC000142074358 FF Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc(C3CC3)no2)n1 ZINC000142078318 FF Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2nc(C3CC3)no2)n1 ZINC000142078524 FF Annotated Anodyne Nc1nc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)ncc1F ZINC000142175601 FF Annotated Anodyne C/C=C1/CN2CC[C@@]34c5cc(OC)ccc5N(C)[C@@]23CC[C@@H]1[C@H]4C(=O)OC ZINC000142277379 FF Annotated Clean C[C@@H](CNC(=O)CC#N)c1ccc(C#Cc2cnc(OC3CCC3)nc2)cc1 ZINC000142350480 FF Annotated Mild C[C@H](CNC(=O)CC#N)c1ccc(C#Cc2cnc(OC3CCC3)nc2)cc1 ZINC000142350673 FF Annotated Mild CCN(CC)c1ncc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)cn1 ZINC000142360065 FF Annotated Mild CCN(CC)c1ncc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)cn1 ZINC000142360271 FF Annotated Mild CCNc1ncc(C#Cc2ccc(C[C@@H](C)NC(=O)N(C)C)cc2)cn1 ZINC000142360496 FF Annotated Mild CCNc1ncc(C#Cc2ccc(C[C@H](C)NC(=O)N(C)C)cc2)cn1 ZINC000142360710 FF Annotated Mild COC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc(N3CCCC3)nc2)cc1 ZINC000142361804 FF Annotated Mild COC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(N3CCCC3)nc2)cc1 ZINC000142362004 FF Annotated Mild C[C@@H](/C=C/C(=O)O)[C@@H](O)[C@@H](C)C[C@@H](C)[C@H](O)CC(=O)c1ccc(N)cc1 ZINC000142391551 FF Annotated Anodyne CC(C)(O)CC(=O)N1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 ZINC000142477747 FF Annotated Anodyne Cc1cc(C)nc(O[C@H](C(=O)O)C(O)(c2ccccc2)c2ccccc2)n1 ZINC000142540826 FF Annotated Anodyne C[C@@H](O)CNC(=O)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1 ZINC000142661961 FF Annotated Anodyne CCn1ncc2cc(-c3cc(=O)n4ncc(-c5n[nH]cc5C)c4[nH]3)ccc21 ZINC000142772509 FF Annotated Anodyne CCOc1ccc(C#Cc2ccc(C[C@@H](C)NC(=O)C3CNC3)cc2)cc1 ZINC000142790021 FF Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@H](C)NC(=O)C3CNC3)cc2)cc1 ZINC000142790228 FF Annotated Mild COC(=O)C(=O)Nc1ccc(OCc2c(-c3ccccc3)noc2C)nc1 ZINC000142805991 FF Annotated Anodyne COc1cc(-c2cc(=O)n3ncc(-c4ccnn4C)c3[nH]2)ccc1Cl ZINC000142825461 FF Annotated Anodyne O=C(NCC1CC1)c1ccc(OCc2conc2-c2ccccn2)nc1 ZINC000142852494 FF Annotated Anodyne N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000142905858 FF Annotated Anodyne N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000142906015 FF Annotated Anodyne N[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000142906396 FF Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F ZINC000142927106 FF Annotated Anodyne Cc1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12 ZINC000142930466 FF Annotated Anodyne in-vitro CCn1ncc2cc(-c3cc(=O)n4ncc(-c5c(C)cnn5C)c4[nH]3)ccc21 ZINC000142931769 FF Annotated Anodyne CCN(C)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F ZINC000142935096 FF Annotated Anodyne C[C@@H](CN(C)C)N(C)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F ZINC000142943200 FF Annotated Anodyne C[C@H](CN(C)C)N(C)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F ZINC000142943426 FF Annotated Anodyne CN(C)CC(C)(C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F ZINC000142954107 FF Annotated Anodyne C[C@@H](CNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F)N(C)C ZINC000142972960 FF Annotated Anodyne C[C@H](CNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F)N(C)C ZINC000142973101 FF Annotated Anodyne C[C@@H](CN(C)C)N(C)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000142988795 FF Annotated Anodyne C[C@H](CN(C)C)N(C)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000142988996 FF Annotated Anodyne O=C(Nc1ccc([C@H]2CNCCO2)cc1F)c1n[nH]c2cc(F)ccc12 ZINC000143007145 FF Annotated Anodyne CCc1cnc(-c2cnn3c(=O)cc(-c4ccc5c(c4)OCO5)[nH]c23)o1 ZINC000143013746 FF Annotated Anodyne Cc1onc(-c2ccncn2)c1COc1ccc(C(=O)NC(C)C)cn1 ZINC000143018090 FF Annotated Anodyne F[C@]1(c2cn(-c3ccc(Br)cc3)nn2)CN2CCC1CC2 ZINC000143020240 FF Annotated Anodyne F[C@@]1(c2cn(-c3ccc(Br)cc3)nn2)CN2CCC1CC2 ZINC000143020437 FF Annotated Anodyne O=C(Nc1ccc([C@@H]2CNCCO2)cc1F)c1n[nH]c2cc(F)ccc12 ZINC000143076033 FF Annotated Anodyne Fc1ccc(Cn2cc(NCCN3CCC(F)(F)CC3)nn2)cc1F ZINC000143090508 FF Annotated Anodyne CCOc1cc(-c2cc(=O)n3ncc(-c4ccnn4C)c3[nH]2)ccc1F ZINC000143242349 FF Annotated Anodyne C[C@@H](O)Cc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3 ZINC000143287800 FF Annotated Anodyne C[C@H](O)Cc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3 ZINC000143287989 FF Annotated Anodyne CCn1nccc1-c1cnn2c(=O)cc(-c3ccc4c(cnn4CC)c3)[nH]c12 ZINC000143357507 FF Annotated Anodyne NC(=O)Cn1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000143359058 FF Annotated Anodyne NC(=O)Cn1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000143359241 FF Annotated Anodyne COc1cc(-c2cc(=O)n3ncc(-c4ccn(C)n4)c3[nH]2)ccc1Cl ZINC000143371502 FF Annotated Anodyne CCn1ncc2cc(-c3cc(=O)n4ncc(-c5cc(C)n[nH]5)c4[nH]3)ccc21 ZINC000143402985 FF Annotated Anodyne Cn1cc(-c2cc(C(N)=O)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 ZINC000143447289 FF Annotated Anodyne Cn1cc(-c2cc(C(N)=O)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 ZINC000143447500 FF Annotated Anodyne O=C(c1cc(CO)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 ZINC000143448348 FF Annotated Anodyne O=C(c1cc(CO)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 ZINC000143448533 FF Annotated Anodyne O=C(NCCCO)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143494231 FF Annotated Anodyne O=C(NCCCO)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143494438 FF Annotated Anodyne N#Cc1cc(S(=O)(=O)c2cccc(F)c2)cc2c3c(oc12)CCNC3 ZINC000143504026 FF Annotated Anodyne COc1ccc(-c2csc(-n3[nH]c(C)c(C(=O)CC(C)=O)c3=O)n2)cc1 ZINC000143522630 FF Annotated Anodyne C[C@H](/C=C/[C@H](CO)C(C)(C)O)[C@H]1CC[C@H]2C3=CC(=O)O[C@@]3(O)CC[C@@]21C ZINC000143539939 FF Annotated Anodyne COc1nn2c(=O)cc(-c3ccc(Cl)cc3)[nH]c2c1-c1nc(C)no1 ZINC000143599884 FF Annotated Anodyne Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C2(O)COC2)cn1 ZINC000143613628 FF Annotated Anodyne CS[C@@H]1C(=O)N(C)/C(=C\c2ccc(OCC=C(C)C)cc2)C(=O)N1C ZINC000143658255 FF Annotated Anodyne Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(N(C)C(=O)C(C)C)c2)nc1 ZINC000143711695 FF Annotated Anodyne Cc1cc(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)no1 ZINC000144150049 FF Annotated Anodyne C[C@@]12CC[C@@H]3[C@@](CC[C@H]4[C@@]3(C)[C@@H](O)CC[C@@]4(C)C(=O)O)(COC1=O)C2 ZINC000144313386 FF Annotated Anodyne C[C@@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)c(F)c2)s1)C(=O)O ZINC000144314378 FF Annotated Anodyne C[C@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)c(F)c2)s1)C(=O)O ZINC000144314595 FF Annotated Anodyne C[C@@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)O ZINC000144315224 FF Annotated Anodyne C[C@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)O ZINC000144315414 FF Annotated Anodyne c1ccc2nc(N3CCN(Cc4ccncc4)CC3)c(NC3CC3)nc2c1 ZINC000144414102 FF Annotated Anodyne C/C1=C\CC[C@](C)(O)[C@@H](C)OC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O ZINC000144464330 FF Annotated Mild C/C1=C\CC[C@](C)(O)[C@H](C)OC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O ZINC000144464513 FF Annotated Mild C/C1=C\CC[C@@](C)(O)[C@@H](C)OC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O ZINC000144464714 FF Annotated Mild C/C1=C\CC[C@@](C)(O)[C@H](C)OC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O ZINC000144464907 FF Annotated Mild c1ccc(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)nc1 ZINC000144519281 FF Annotated Anodyne O=C(c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CC(CO)C1 ZINC000144704329 FF Annotated Anodyne O=C(c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CC(CO)C1 ZINC000144704526 FF Annotated Anodyne c1ccc([C@H]2C[C@@H]2COc2cc(NCc3cn[nH]c3)n3nccc3n2)nc1 ZINC000144720807 FF Annotated Anodyne COC1=CC(=O)c2c(cc(O)c(C)c2-c2cc(OC)c(OC)cc2O)C1=O ZINC000144744424 FF Annotated Mild O=C(NCC[C@@H]1CCCNC1)c1ccnc2[nH]c(-c3cccs3)nc12 ZINC000144764709 FF Annotated Anodyne C#Cc1cc(Oc2cnc(NCCN(C)C)nc2N)c(C(C)C)cc1OC ZINC000144766203 FF Annotated Anodyne O=C(NCC[C@H]1CCCNC1)c1ccnc2[nH]c(-c3cccs3)nc12 ZINC000144767438 FF Annotated Anodyne CN(C)C(=O)COc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144788103 FF Annotated Anodyne CN(C)C(=O)COc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144788307 FF Annotated Anodyne CN(CCO)C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144790848 FF Annotated Anodyne CN(CCO)C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144791039 FF Annotated Anodyne CNC(=O)CCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144792863 FF Annotated Anodyne CNC(=O)CCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144793058 FF Annotated Anodyne O=C(NCCCCO)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144797761 FF Annotated Anodyne O=C(NCCCCO)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144797972 FF Annotated Anodyne CN(CCCO)C(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144803577 FF Annotated Anodyne CN(CCCO)C(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144803781 FF Annotated Anodyne Cc1cc(C(=O)N2CC(O)C2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000144814123 FF Annotated Anodyne Cc1cc(C(=O)N2CC(O)C2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000144814354 FF Annotated Anodyne NC(=O)COc1cc(Cl)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144829869 FF Annotated Anodyne NC(=O)COc1cc(Cl)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144830071 FF Annotated Anodyne CC(=O)N(C)CCOc1cnc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144835400 FF Annotated Anodyne CC(=O)N(C)CCOc1cnc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144835598 FF Annotated Anodyne OCCn1cc(-c2cnc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 ZINC000144890594 FF Annotated Anodyne OCCn1cc(-c2cnc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 ZINC000144890779 FF Annotated Anodyne CNC(=O)c1cccc(-c2n[nH]c3cc(C)nc(OC4CCOCC4)c23)c1 ZINC000144949139 FF Annotated Anodyne CN1CCc2cc3c(cc2[C@@]12Cc1ccc4c(c1CO2)OCO4)OCO3 ZINC000014513939 FF Annotated Anodyne CN1CCc2cc3c(cc2[C@]12Cc1ccc4c(c1CO2)OCO4)OCO3 ZINC000014513942 FF Annotated Anodyne in-vitro biogenic COc1cc(C)c2c(c1C)Oc1c(C)c(C(=O)O)c(O)c(CO)c1OC2=O ZINC000014514489 FF Annotated Anodyne Cc1cc(O)c(C)c2c1C(=O)Oc1c(C)c(O)c3c(c1O2)[C@H](O)OC3=O ZINC000014514501 FF Annotated Anodyne COc1cc(C)c2c(c1C)Oc1c(c(C)c(O)c3c1[C@H](O)OC3=O)OC2=O ZINC000014514504 FF Annotated Anodyne O=C(O)[C@H]1Cc2c[nH]c3ccc(O)c(c23)C(c2c[nH]c3ccc(O)cc23)=N1 ZINC000014514699 FF Annotated Anodyne CSc1c(C(=O)c2nccc3c2[nH]c2ccc(O)cc23)n(C)c[n+]1C ZINC000014514708 FF Annotated Anodyne O=C1NCCC[C@@H](c2c(O)cc(O)c3c2O[C@H](c2ccccc2)CC3=O)N1 ZINC000014557677 FF Annotated Clean O=C1NCCC[C@H](c2c(O)cc(O)c3c2O[C@H](c2ccccc2)CC3=O)N1 ZINC000014557681 FF Annotated Clean in-vitro biogenic CC[C@@H](C)C(=O)OC[C@](O)(COC(=O)C(C)C)c1ccc(C)cc1O ZINC000014588677 FF Annotated Anodyne COc1cc(C)ccc1C(O)(COC(=O)C(C)C)COC(=O)C(C)C ZINC000014588685 FF Annotated Anodyne C/C=C(/C)C(=O)O[C@H](C)[C@@H](OC(C)=O)c1cc(OC)c2c(c1)OCO2 ZINC000014589652 FF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H](C)[C@H](OC(C)=O)c1cc(OC)c2c(c1)OCO2 ZINC000014589653 FF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H](C)[C@@H](OC(C)=O)c1cc(OC)c2c(c1)OCO2 ZINC000014589654 FF Annotated Anodyne CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)C2=C2OC(=O)C(C=O)=C21 ZINC000014594497 FF Annotated Reactive CC[C@]12CN3CCc4c([nH]c5ccccc45)C3=CC1=C(C(=O)OC)C(=O)O2 ZINC000014594500 FF Annotated Anodyne Cc1c(O)c(C)c2oc(=O)c(C3=CC(=O)C[C@@H](C)O3)cc2c1C[C@H](C)O ZINC000014594764 FF Annotated Mild COc1ccc(Cc2c(Cc3ccc(OC)c(O)c3)n(C)c(=N)n2C)cc1 ZINC000014611955 FF Annotated Anodyne COc1ccc(Cc2nc(N)n(C)c2Cc2cc(O)c(OC)c(O)c2)cc1 ZINC000014611957 FF Annotated Anodyne Cc1c(O)cc2c(c1O)C(=O)C1=C(C2=O)C2=C[C@@](C)(O)CC[C@@H]2C(C)(C)O1 ZINC000014612219 FF Annotated Mild in-vitro Cc1c(O)cc2c(c1O)C(=O)C1=C(C2=O)C2=C[C@](C)(O)CC[C@@H]2C(C)(C)O1 ZINC000014612220 FF Annotated Mild in-vitro C[C@H](CCc1cncc2c1CCOC2=O)c1cncc2c1CCOC2=O ZINC000014618022 FF Annotated Anodyne COc1ccc2c(c1OC)C(=O)c1c3c-2c2c(cc3cc[n+]1C)OCO2 ZINC000014619190 FF Annotated Anodyne COc1cc2c(cc1OC)-c1c(O)c(OC)cc3cc[n+](C)c(c13)C2=O ZINC000014619479 FF Annotated Anodyne COc1cc2c(cc1O)-c1cc3cc(OC)c(OC)cc3c(=O)n1CC2 ZINC000014620133 FF Annotated Anodyne CC[C@]12C=CC(=O)N3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 ZINC000014620277 FF Annotated Anodyne CC[C@]12CCC(=O)N3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 ZINC000014620284 FF Annotated Anodyne C[C@@]12CC[C@@H](CO1)c1c(cc3c(c1O)C(=O)c1c(O)cc(O)cc1C3=O)O2 ZINC000014635847 FF Annotated Clean C[C@]12CC[C@H](CO1)c1c(cc3c(c1O)C(=O)c1c(O)cc(O)cc1C3=O)O2 ZINC000014635849 FF Annotated Clean O=C1C[C@@H](O)C2(Oc3cccc4cccc(c34)O2)c2c(O)ccc(O)c21 ZINC000014636390 FF Annotated Anodyne C[C@@H](O)C[C@H]1O[C@@H]1/C=C\C=C\c1cc2c(Cl)c(O)cc(O)c2c(=O)o1 ZINC000014637336 FF Annotated Anodyne C[C@@]1(CO)C=Cc2c(cc(O)c3c(=O)c(-c4ccc(O)cc4O)coc23)O1 ZINC000014637752 FF Annotated Anodyne COc1ccc2c(c1O)-c1c(OC)c(OC)c(OC)c3c1[C@H](C2)NCC3 ZINC000014639582 FF Annotated Anodyne Oc1c([C@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)ccc2c1OCO2 ZINC000014641287 FF Annotated Anodyne COc1cc([C@H]2O[C@H](O)[C@H]3[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O ZINC000014641366 FF Annotated Anodyne COc1cc(OC)cc([C@@H]2OC[C@@H](Cc3ccc(O)cc3O)[C@@H]2CO)c1 ZINC000014641856 FF Annotated Anodyne in-vitro biogenic OC[C@@H]1[C@@H](c2ccc3c(c2)OCO3)OC[C@@H]1Cc1ccc2c(c1)OCO2 ZINC000014642046 FF Annotated Anodyne in-vitro biogenic OC[C@H]1[C@H](Cc2ccc3c(c2)OCO3)CO[C@@H]1c1ccc2c(c1)OCO2 ZINC000014642050 FF Annotated Anodyne COc1c(O)cc2c(c1OC)-c1c(OC)c(O)cc3c1[C@H](CC2)NCC3 ZINC000014645583 FF Annotated Anodyne COc1cc2c(c(OC)c1OC)C(=O)c1c(cc(C)c(OC)c1O)C2=O ZINC000014647445 FF Annotated Clean C/C=C1/C[N+](C)([O-])[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1[C@@H]2C(=O)OC ZINC000014649883 FF Annotated Bother C/C=C1/C[N+](C)([O-])[C@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@@H]1[C@@H]2C(=O)OC ZINC000014649887 FF Annotated Bother O=C1C[C@@H](c2ccccc2)NCCCCN(C(=O)c2ccoc2)CCCN1 ZINC000014652484 FF Annotated Anodyne in-vitro O=C1C[C@H](c2ccccc2)NCCCCN(C(=O)c2ccoc2)CCCN1 ZINC000014652487 FF Annotated Anodyne in-vitro biogenic COc1c2c3c(c(OC)c1OC)-c1cc4c(cc1C[C@@H]3NCC2)OCO4 ZINC000014652947 FF Annotated Anodyne COc1ccc([C@H](O)[C@@H]2c3cc4c(cc3CC[N+]2(C)C)OCO4)cc1O ZINC000014654191 FF Annotated Bother Oc1ccc(C2=C(c3ccc4c(c3)OCO4)[C@@H](O)[C@@H]3CCCN3C2)cc1 ZINC000014654226 FF Annotated Anodyne COc1ccc2c(c1)C(=O)[C@@]13O[C@]4(C)CC[C@@H]([C@@H]4C=C1C2=O)[C@]3(C)C=O ZINC000014657631 FF Annotated Mild CC1=CC2=CC3=C(C(=O)CCCCC[C@@H](C)O)C(=O)O[C@]3(C)[C@H](O)C2=CO1 ZINC000014658781 FF Annotated Mild O=C1OC[C@@H]2Cc3cc4c(cc3[C@@H](c3ccc5c(c3)OCO5)[C@H]12)OCO4 ZINC000014676849 FF Annotated Anodyne O=C1OC[C@H]2Cc3cc4c(cc3[C@@H](c3ccc5c(c3)OCO5)[C@H]12)OCO4 ZINC000014676850 FF Annotated Anodyne in-vitro biogenic COC(=O)N1CCc2cc(OC)c(OC)c3c2[C@@H]1CC31C=CC(=O)C=C1 ZINC000014679740 FF Annotated Mild in-man COC(=O)N1CCc2cc(OC)c(OC)c3c2[C@H]1CC31C=CC(=O)C=C1 ZINC000014679742 FF Annotated Mild in-man C[N+]1([O-])CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3 ZINC000014681294 FF Annotated Bother COc1cc2oc3c(c(=O)c2c(O)c1OC)OCc1c-3ccc2c1OCO2 ZINC000014683292 FF Annotated Anodyne C/C=C/c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C=O)c1[C@H](OC)O2 ZINC000014683347 FF Annotated Clean C/C=C/c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C=O)c1[C@@H](OC)O2 ZINC000014683349 FF Annotated Clean C[C@H]1C[C@@H]2O[C@@H]2/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 ZINC000014685004 FF Annotated Mild C[C@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 ZINC000014685005 FF Annotated Mild CCCC(=O)c1c(O)cc(O)c2c1C(=O)c1cc(OC)cc(OC)c1C2=O ZINC000014686486 FF Annotated Clean CO[C@@H]1O[C@@H]2c3cc4c(cc3CCN[C@H]2c2ccc3c(c21)OCO3)OCO4 ZINC000014686693 FF Annotated Anodyne CO[C@H]1O[C@@H]2c3cc4c(cc3CCN[C@H]2c2ccc3c(c21)OCO3)OCO4 ZINC000014686695 FF Annotated Anodyne CC(C)CC[C@]1(O)c2cc3c(O)cccc3cc2C(=O)[C@H](C)[C@@]1(O)C(=O)O ZINC000014687414 FF Annotated Anodyne Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@H]([C@@](C)(Cl)CO)O3 ZINC000014689040 FF Annotated Bother in-man endogenous Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@@H]([C@@](C)(Cl)CO)O3 ZINC000014689042 FF Annotated Bother in-man endogenous Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@H]([C@](C)(Cl)CO)O3 ZINC000014689044 FF Annotated Bother in-man endogenous Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@@H]([C@](C)(Cl)CO)O3 ZINC000014689046 FF Annotated Bother in-man endogenous COc1cc2c(cc1OC)N1C(=O)C[C@]34C=CCN5CC[C@@H]2[C@]1(CC3)[C@@H]54 ZINC000014692532 FF Annotated Anodyne CC(C)[C@@H]1O[C@@]2(O)C3=C(CCN3C1=O)c1nc3ccccc3c3ccnc2c13 ZINC000014693398 FF Annotated Bother C/C=C1/CNCC[C@]23c4ccc(OC)cc4N(C)[C@H]2C=C[C@H]1[C@H]3C(=O)OC ZINC000014693859 FF Annotated Anodyne CC1(C)Oc2c(O)cc(-c3coc4cc(O)cc(O)c4c3=O)cc2C[C@@H]1O ZINC000014695525 FF Annotated Anodyne in-man CC1(C)Oc2c(O)cc(-c3coc4cc(O)cc(O)c4c3=O)cc2C[C@H]1O ZINC000014695527 FF Annotated Anodyne in-man COc1cc([C@@H]2Oc3ccc4[nH]cc5c4c3[C@H]2C(=O)NCC5)ccc1O ZINC000014696260 FF Annotated Anodyne in-man COc1cc([C@H]2Oc3ccc4[nH]cc5c4c3[C@H]2C(=O)NCC5)ccc1O ZINC000014696262 FF Annotated Anodyne in-man COc1cc([C@@H]2Oc3ccc4[nH]cc5c4c3[C@@H]2C(=O)NCC5)ccc1O ZINC000014696264 FF Annotated Anodyne in-man COc1cc([C@H]2Oc3ccc4[nH]cc5c4c3[C@@H]2C(=O)NCC5)ccc1O ZINC000014696265 FF Annotated Anodyne in-man COC1=CC(=O)c2cc3c4c(cc(OC)c(OC)c4c2C1=O)CCN3C ZINC000014711493 FF Annotated Mild CO/C(=C\C(=O)O)[C@H]1c2cc3cccc(OC)c3c(O)c2C(=O)C[C@]1(C)O ZINC000014712675 FF Annotated Anodyne COc1ccc2c(c1OC)-c1cc3c(cc1C[C@H]1COC(=O)[C@@H]1C2)OCO3 ZINC000014715062 FF Annotated Anodyne CC[C@@H]1C[C@@H]2C[C@@](O)(C(=O)OC)n3c4c(c5ccccc53)CCN(C1)[C@@H]42 ZINC000014719411 FF Annotated Anodyne CC[C@@H](C#CC#C/C=C/[C@H](CCCCOC(C)=O)OC(C)=O)OC(C)=O ZINC000014722486 FF Annotated Mild CC(=O)OC/C=C/C#CC#CCCCC[C@@H](CCOC(C)=O)OC(C)=O ZINC000014722494 FF Annotated Mild CC(=O)OC/C=C/C#CC#C[C@H](CCCCCCOC(C)=O)OC(C)=O ZINC000014722510 FF Annotated Mild C=C[C@H]1C[n+]2ccc3c([nH]c4cc(OC)c(OC)cc43)c2C[C@@H]1CCO ZINC000014722647 FF Annotated Mild COc1cc2c(cc1OC)[C@H]([C@@H](O)/C=C\c1ccc(O)cc1)[C@H](O)CC2 ZINC000014723715 FF Annotated Anodyne in-man COc1cc2c(cc1OC)[C@H]([C@@H](O)/C=C\c1ccc(O)cc1)[C@@H](O)CC2 ZINC000014723717 FF Annotated Anodyne in-man COc1cc2c(cc1OC)[C@@H]([C@@H](O)/C=C\c1ccc(O)cc1)[C@@H](O)CC2 ZINC000014723721 FF Annotated Anodyne in-man CC(C)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000014725034 FF Annotated Clean O=C(O)c1cc2cc(O)c(O)cc2c(-c2ccc(O)c(O)c2)c1C(=O)O ZINC000014726731 FF Annotated Clean O=C1OCC2=C1[C@H](c1ccc3c(c1)OCO3)c1cc3c(cc1C2)OCO3 ZINC000014726773 FF Annotated Anodyne COc1c(C)c(O)c(C=O)c2c1C(=O)[C@@H](Cc1ccc3c(c1)OCO3)CO2 ZINC000014757606 FF Annotated Anodyne in-vitro biogenic COc1c(O)c2c(c(OC)c1OC)OC[C@@H](Cc1ccc(O)cc1)C2=O ZINC000014758462 FF Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)cc(C)c(Cl)c1O ZINC000014761010 FF Annotated Anodyne COC(=O)c1cc(OC)c(Cl)c(O)c1C(=O)c1c(O)cc(C)cc1O ZINC000014761012 FF Annotated Anodyne CC(C)(O)CCc1c(O)ccc2c1OC[C@H](c1ccc(O)cc1O)C2=O ZINC000014762893 FF Annotated Anodyne in-man CC(C)(O)CCc1c(O)ccc2c1OC[C@@H](c1ccc(O)cc1O)C2=O ZINC000014762895 FF Annotated Anodyne in-man CC1(C)O[C@@H]1Cc1cc([C@H]2COc3cc(O)cc(O)c3C2=O)cc(O)c1O ZINC000014762919 FF Annotated Clean CC(C)(O)CCc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3O)coc12 ZINC000014762976 FF Annotated Anodyne O=C1c2oc3cc(O)c(O)cc3c2C(=O)c2oc3cc(O)c(O)cc3c21 ZINC000014765869 FF Annotated Clean in-man endogenous Cc1cc(=O)c2c(O)cc3c(c2o1)C(=O)c1c(cc(O)c(Cl)c1O)C3=O ZINC000014768191 FF Annotated Clean in-vitro Cc1cc(=O)c2c(O)c3c(cc2o1)C(=O)c1cc(O)c(Cl)c(O)c1C3=O ZINC000014768197 FF Annotated Clean in-vitro COc1cc2c(c(OC)c1OC)c(=O)c1ccccc1n2COC(C)=O ZINC000014774893 FF Annotated Bother in-vitro biogenic C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3CC(=O)[C@@]2(O)[C@@H]1O ZINC000014812057 FF Annotated Mild C=CC[C@@]12C=C(OC)C(=O)[C@@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2O ZINC000014814787 FF Annotated Mild CC(C)=C[C@H]1OC(=O)/C(=C\C[C@@H](O)/C(C)=C/CC/C(C)=C/CO)[C@@H]1O ZINC000014818334 FF Annotated Anodyne C=C(C)[C@H](O)Cc1c(OC)cc(O)c2c(=O)c3cccc(O)c3n(C)c12 ZINC000014819127 FF Annotated Mild in-man C=C(C)[C@@H](O)Cc1c(OC)cc(O)c2c(=O)c3cccc(O)c3n(C)c12 ZINC000014819129 FF Annotated Mild in-man CC(C)(O)[C@@H]1CC[C@@]23C[C@@H](CC[C@@H]2[C@@]1(C)CCC(=O)O)[C@@](O)(CO)C3 ZINC000014821066 FF Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]23C[C@@H](CC[C@@H]2[C@@]1(C)CCC(=O)O)[C@@](O)(CO)C3 ZINC000014821068 FF Annotated Anodyne CC(=O)Oc1ccc2oc3cccc(OC(C)=O)c3c(=O)c2c1OC(C)=O ZINC000014821914 FF Annotated Bother CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3c(OC(C)=O)cccc3oc2c1 ZINC000014821969 FF Annotated Bother CCC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(C)=O ZINC000014826955 FF Annotated Anodyne in-man CCC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(C)=O ZINC000014826957 FF Annotated Anodyne in-man CCC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)O[C@H]1C(C)(C)OC(C)=O ZINC000014826959 FF Annotated Anodyne in-man CCC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@H]1C(C)(C)OC(C)=O ZINC000014826960 FF Annotated Anodyne in-man COC(=O)C1=C[C@@]23C=CCN4CC[C@@]5(c6cccc(OC)c6N[C@]15CC2)[C@@H]43 ZINC000014827760 FF Annotated Anodyne in-vitro biogenic CC[C@@]12CCCN3C(=O)C[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32 ZINC000014829285 FF Annotated Anodyne Cc1c(O)c(C(=O)O)c(C)c2c1OC(=O)c1c(C)c(O)c(O)c(C=O)c1O2 ZINC000014829672 FF Annotated Clean O=C1O[C@@H](c2ccc3c(c2)OCO3)[C@@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@H]12 ZINC000014854777 FF Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@]2(C)CC(C(=O)O)=CCC[C@@H]2[C@@]1(CO)CC/C(=C/CO)CO ZINC000014858685 FF Annotated Anodyne CCCCN(C)C(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)N(C2CC2)C1=O ZINC000014882206 FF Annotated Anodyne CCCCN(C)C(=O)C[C@]1(c2ccc(OC)cc2)CC(=O)N(C2CC2)C1=O ZINC000014882207 FF Annotated Anodyne COc1cc2c(c(O)c1CC(=O)C(C)C)C(=O)c1c(O)cc(C)cc1C2=O ZINC000014883287 FF Annotated Clean Cc1cnc(C)c(-c2ccc3c(c2)C[C@H](CNC(=O)c2ccncc2)O3)n1 ZINC000014883727 FF Annotated Anodyne Cc1cnc(C)c(-c2ccc3c(c2)C[C@@H](CNC(=O)c2ccncc2)O3)n1 ZINC000014883729 FF Annotated Anodyne O=C1C[C@@](O)(c2ccccc2)[C@@H](c2cc(O)cc(=O)o2)c2cccc(O)c21 ZINC000014884346 FF Annotated Anodyne O=C1C[C@](O)(c2ccccc2)[C@@H](c2cc(O)cc(=O)o2)c2cccc(O)c21 ZINC000014884349 FF Annotated Anodyne O=C1C[C@@H](O)Cc2c1c(O)cc(-c1ccccc1)c2-c1cc(O)cc(=O)o1 ZINC000014884351 FF Annotated Anodyne Cc1ccccc1N1C(=O)CN(C(=O)c2scc3c2OCCO3)C[C@H]1C ZINC000014884495 FF Annotated Anodyne Cc1ccccc1N1C(=O)CN(C(=O)c2scc3c2OCCO3)C[C@@H]1C ZINC000014884497 FF Annotated Anodyne O=C(NC[C@H]1Cc2c(F)ccc(-c3ccncc3)c2O1)C1CCOCC1 ZINC000014885663 FF Annotated Anodyne O=C(NC[C@@H]1Cc2c(F)ccc(-c3ccncc3)c2O1)C1CCOCC1 ZINC000014885666 FF Annotated Anodyne COc1ccc2cc3n(C)c(=O)c(=O)c4ccc(OC)c(oc2c1OC)c4-3 ZINC000014886615 FF Annotated Bother C[C@@]12C(=O)c3cccc(O)c3C(=O)[C@H]1CC1=C2C(=O)c2c(O)cccc2C1=O ZINC000014887561 FF Annotated Mild C[C@]12C(=O)c3cccc(O)c3C(=O)[C@H]1CC1=C2C(=O)c2c(O)cccc2C1=O ZINC000014887565 FF Annotated Mild COc1ccc2c(c1)[C@H](O)[C@@H]1c3c(c(OC)c4c(c3-2)OCO4)CCN1C ZINC000014917524 FF Annotated Anodyne CCCCCC(=O)C[C@H]1C=CC[C@@H]2CC(=O)NCCCCNCCCN12 ZINC000014919647 FF Annotated Anodyne CC[C@H]1C[C@H]2CN3C(=O)Cc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000014930512 FF Annotated Anodyne Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2ccccc2[N+](=O)[O-])n1C ZINC000014944722 FF Annotated Bother Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1C ZINC000014944728 FF Annotated Bother COc1ccccc1S(=O)(=O)/N=c1\sc(C(C)(C)C)c(C)n1C ZINC000014944732 FF Annotated Anodyne COc1cccc(S(=O)(=O)/N=c2\sc(C(C)(C)C)c(C)n2C)c1 ZINC000014944734 FF Annotated Anodyne COc1ccc(S(=O)(=O)/N=c2\sc(C(C)(C)C)c(C)n2C)cc1 ZINC000014944736 FF Annotated Anodyne Cc1c(C(C)C)s/c(=N\S(=O)(=O)c2cc(F)ccc2C#N)n1C ZINC000014944765 FF Annotated Mild Cc1c(C(C)C)s/c(=N\S(=O)(=O)c2cc(C#N)ccc2C#N)n1C ZINC000014944771 FF Annotated Mild Cc1c(C(C)C)s/c(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1C ZINC000014944850 FF Annotated Bother NC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c2c1ccc1[nH]ncc12 ZINC000014945803 FF Annotated Anodyne CSc1ccc(NC2=C(c3cccc([N+](=O)[O-])c3)C(=O)NC2=O)cc1 ZINC000014946032 FF Annotated Bother CSc1ccc(NC2=C(c3ccc([N+](=O)[O-])cc3)C(=O)NC2=O)cc1 ZINC000014946035 FF Annotated Bother COc1cccc(-n2ncc3c(N/N=C/c4cccc(N)c4)ncnc32)c1 ZINC000014946183 FF Annotated Mild COc1cccc(-n2nc(C)c3c(N/N=C/c4ccncc4)ncnc32)c1 ZINC000014946203 FF Annotated Mild COc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)c(C#C[C@@H]3CCCN3)c21 ZINC000014947118 FF Annotated Mild O[C@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 ZINC000014947784 FF Annotated Anodyne in-man endogenous CC(=O)NCC(=O)N1CC[C@@]2(CCCN(Cc3ccc(C(C)C)cc3)C2)C1 ZINC000014950938 FF Annotated Anodyne CC(=O)NCC(=O)N1CC[C@]2(CCCN(Cc3ccc(C(C)C)cc3)C2)C1 ZINC000014950941 FF Annotated Anodyne COCCN1CCN(Nc2ncc3ccn(C4CCCCC4)c3n2)CC1 ZINC000014954849 FF Annotated Anodyne Cn1cc(CNC(=O)c2cc(COc3ccc4c(c3)CCCC4)on2)cn1 ZINC000014955447 FF Annotated Anodyne CCn1c(=O)n(CC)c2cc(-n3nnnc3-c3ccc(F)c(C)c3)ccc21 ZINC000014958576 FF Annotated Anodyne CCn1c(=O)n(CC)c2cc(-c3nnnn3-c3ccc(F)c(C)c3)ccc21 ZINC000014958580 FF Annotated Anodyne CN(C)c1cc2c(cc1Cl)c(=O)c1c(C(F)(F)F)nn(C)c1n2O ZINC000014959823 FF Annotated Anodyne CCc1ccc(CN2CCC(CCC(=O)N3CCN(CC)CC3)CC2)o1 ZINC000014961727 FF Annotated Anodyne Cc1c([C@@H](C)O)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(=O)O ZINC000014965052 FF Annotated Anodyne Cc1c([C@H](C)O)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(=O)O ZINC000014965056 FF Annotated Anodyne COc1cc2c(cc1OC)-c1c3c(cc4c1[C@H](C2)N(C)C[C@H]4O)OCO3 ZINC000014966500 FF Annotated Anodyne in-vitro biogenic OCCOc1ccccc1CNC[C@@H](O)c1cc(Br)cs1 ZINC000014966847 FF Annotated Anodyne OCCOc1ccccc1CNC[C@H](O)c1cc(Br)cs1 ZINC000014966851 FF Annotated Anodyne NCCOc1ccccc1CNC[C@@H](O)c1cc(Br)cs1 ZINC000014966855 FF Annotated Anodyne NCCOc1ccccc1CNC[C@H](O)c1cc(Br)cs1 ZINC000014966858 FF Annotated Anodyne Cc1c(N2C(=O)N3CC[C@H](O)[C@H]3[C@@H]2C(F)(F)F)ccc(C#N)c1Cl ZINC000014967217 FF Annotated Mild Cc1c(N2C(=O)N3CC[C@H](O)[C@H]3[C@H]2C(F)(F)F)ccc(C#N)c1Cl ZINC000014967229 FF Annotated Mild Cc1c(N2C(=O)N3CC[C@@H](O)[C@H]3[C@@H]2C(F)(F)F)ccc(C#N)c1Cl ZINC000014967241 FF Annotated Mild Cc1c(N2C(=O)N3CC[C@@H](O)[C@H]3[C@H]2C(F)(F)F)ccc(C#N)c1Cl ZINC000014967248 FF Annotated Mild COc1ccccc1Nc1nc(NCCO)nc(NCc2ccccc2)n1 ZINC000014968047 FF Annotated Anodyne C[C@@H]1CC(=O)[C@@]23CO[C@@H](O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000014969738 FF Annotated Anodyne C[C@@H]1CC(=O)[C@]23CO[C@@H](O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000014969744 FF Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@@]1(CO[C@@H](O)C1)O2 ZINC000014972116 FF Annotated Anodyne Cc1c(CN2CC[C@@]3(CCCN(Cc4ccc(F)cc4)C3=O)C2)cnn1C ZINC000014981440 FF Annotated Anodyne Cc1c(CN2CC[C@]3(CCCN(Cc4ccc(F)cc4)C3=O)C2)cnn1C ZINC000014981442 FF Annotated Anodyne O=C(NCCc1c[nH]cn1)c1ccnc2[nH]c(-c3ccc(Cl)cc3)nc12 ZINC000145107702 FF Annotated Anodyne O=C(NCCCc1ncc[nH]1)c1ccnc2nc(-c3cccs3)[nH]c12 ZINC000145145390 FF Annotated Anodyne c1ccc2nc(N3CC(c4nccnc4N4C[C@H]5C[C@@H]4CO5)C3)ccc2c1 ZINC000145193866 FF Annotated Anodyne CC(=O)NCCn1cc(C#N)c2cc(-c3nc(C)c(C(=O)O)s3)ccc21 ZINC000145201619 FF Annotated Anodyne CCCC[C@@H]1O[C@H](CC(=O)O)Cc2cc3c(c(O)c21)C(=O)C=C(NC)C3=O ZINC000145221127 FF Annotated Mild C=C1C[C@H](O)[C@H](Br)C(C)(C)[C@@]12CC[C@@](O)(CCl)C(=O)C2 ZINC000145318545 FF Annotated Reactive NC12C[C@@H]3C[C@H](C1)CC(NC(=O)c1ccnc4nc(C5CC5)[nH]c14)(C3)C2 ZINC000145345125 FF Annotated Anodyne C=C1CCCC(C)(C)[C@@H]2CC[C@@](C)([C@@H]3[C@@H](O)O[C@H](C(=O)OC)[C@H]3CO)[C@H]12 ZINC000145353108 FF Annotated Mild COc1cc([C@@H]2c3cc(O)c(OC)cc3[C@H]3OC[C@H]2[C@@H]3CO)ccc1O ZINC000145715641 FF Annotated Anodyne COC1=CC[C@@H]2C[C@H]3OC(=O)C[C@H]4C(C)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000145717744 FF Annotated Mild O=C(NO)c1cnc(NC2(c3cc(C(F)(F)F)ccc3F)CC2)nc1 ZINC000145971468 FF Annotated Anodyne NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ncco3)C[C@H]2CS1 ZINC000146153065 FF Annotated Anodyne NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ccncn3)C[C@H]2CS1 ZINC000146169280 FF Annotated Anodyne C[C@@H]1C[C@@H]2OCC3=CCC[C@@H]([C@]32CO)[C@]1(C[C@H](O)c1ccoc1)C(=O)O ZINC000146282100 FF Annotated Anodyne CN(C)Cc1ccc(CCOc2nc(-c3ccncc3)cc(=O)n2C)cc1 ZINC000146503591 FF Annotated Anodyne Cn1c2cc(F)cc(C(N)=O)c2c(=O)n1C1CCN(C2CCCCC2)CC1 ZINC000146732717 FF Annotated Anodyne NC(=O)c1cc(F)cc2[nH]n(C3CCN(C4CCCCC4)CC3)c(=O)c12 ZINC000146735929 FF Annotated Anodyne c1cc2[nH]cc(-c3cnn([C@@H]4CCOC4)c3)c2c(OC2CCOCC2)n1 ZINC000146789924 FF Annotated Anodyne CCc1cc(NC(=O)c2ccc3cc4n(c3n2)CC(C)(C)CNC4=O)no1 ZINC000147134681 FF Annotated Anodyne Cc1nn(-c2nc(N)nc(-c3ccccn3)n2)c(C)c1Cc1ccccc1 ZINC000147141370 FF Annotated Anodyne C/C=C/c1sc(-c2nccs2)nc1C(=O)NCCCCC(=O)NO ZINC000147362026 FF Annotated Bother O=C(CCCCNC(=O)c1nc(-c2nccs2)sc1C1CC1)NO ZINC000147367160 FF Annotated Bother N#C/C=C/S(=O)(=O)c1ccc(C2(C(=O)NC3CCCCC3)CC2)cc1 ZINC000147442854 FF Annotated Reactive N#Cc1cc(S(=O)(=O)c2ccc(F)cc2)cc2c3c(oc12)CCNC3 ZINC000147568167 FF Annotated Anodyne C[C@@H](O)c1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3 ZINC000147625078 FF Annotated Anodyne C[C@H](O)c1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3 ZINC000147625322 FF Annotated Anodyne CC(C)(C(=O)NC1CCCCC1)c1ccc(S(=O)(=O)/C=C/C#N)cn1 ZINC000147627815 FF Annotated Reactive COc1ccc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)cn1 ZINC000147809836 FF Annotated Anodyne Cc1c(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cnn1C ZINC000147830201 FF Annotated Anodyne CC(C)CNC(=O)/C=C/c1cc(I)c2c(c1)OCO2 ZINC000147971967 FF Annotated Anodyne C=CC[C@]12CC=CC(=O)[C@@]1(O)O[C@H](c1cc(OC)c3c(c1)OCO3)[C@H]2C ZINC000148001616 FF Annotated Mild CCOCCc1ccc(-c2c(C)nc3c(N4CCOCC4)nccn23)cn1 ZINC000148121273 FF Annotated Anodyne O=C(NCCO)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000148166959 FF Annotated Anodyne N#Cc1cnc(-c2nc(CC(=O)NCc3ccccc3)cs2)c(O)c1 ZINC000148204421 FF Annotated Anodyne Cc1ncnc(-c2ccc(C(=O)N(C)C)cc2)c1C#Cc1ccc(N)nc1 ZINC000148508552 FF Annotated Mild Cc1ncnc(-c2cccc(C(=O)N(C)C)c2)c1C#Cc1ccc(N)nc1 ZINC000148705773 FF Annotated Mild O=C(O)c1cc(=O)c2c3c(c(Cl)cc2[nH]1)S(=O)(=O)c1ccccc1-3 ZINC000149033186 FF Annotated Anodyne O=C(O)c1cc(=O)c2c3c(ccc2[nH]1)S(=O)(=O)c1c(Cl)cccc1-3 ZINC000149039752 FF Annotated Anodyne COc1cc(C2=NCC(=O)N3CCc4c(Cl)cccc4C3=C2)ccn1 ZINC000149047889 FF Annotated Anodyne Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cccnc4)C3=C2)cn1 ZINC000149093082 FF Annotated Anodyne O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3cccc(C4CC4)c3CCN12 ZINC000149094188 FF Annotated Anodyne O=C1CN=C(n2cnc(C(F)F)c2)C=C2c3ccnc(C4CC4)c3CCN12 ZINC000149105996 FF Annotated Anodyne O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3ccnc(C4CC4)c3CCN12 ZINC000149114958 FF Annotated Anodyne Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cnc(C)o4)C3=C2)cn1 ZINC000149135697 FF Annotated Anodyne Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ccncc4)C3=C2)cn1 ZINC000149136348 FF Annotated Anodyne Cc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4coc(C)n4)C3=C2)cn1 ZINC000149174751 FF Annotated Anodyne COc1cccc2c1CCN1C(=O)CN=C(n3cnc(C(C)C)c3)C=C21 ZINC000149178479 FF Annotated Anodyne CCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ncco4)C3=C2)cn1 ZINC000149203219 FF Annotated Anodyne COCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)cn1 ZINC000149207444 FF Annotated Anodyne C=C(C)c1cccc2c1CCN1C(=O)CN=C(n3cnc(COC)c3)C=C21 ZINC000149259530 FF Annotated Mild O=C1CN=C(n2cnc(CF)c2)C=C2c3cccc(C4CC4)c3CCN12 ZINC000149266457 FF Annotated Anodyne Cn1cnc(C2=NCC(=O)N3CCc4c(cccc4-c4ccncc4)C3=C2)c1 ZINC000149274392 FF Annotated Anodyne CC1(C)Oc2ccc(Br)cc2[C@@]2(CSC(N)=N2)C12COC2 ZINC000149350182 FF Annotated Anodyne CC1(C)Oc2ccc(Br)cc2[C@]2(CSC(N)=N2)C12COC2 ZINC000149350410 FF Annotated Anodyne NC1=N[C@@]2(CO1)c1cc(Br)ccc1OCC21CC(F)(F)C1 ZINC000149359528 FF Annotated Anodyne NC1=N[C@]2(CO1)c1cc(Br)ccc1OCC21CC(F)(F)C1 ZINC000149359734 FF Annotated Anodyne Cc1cccc(CCc2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)CO3)c1 ZINC000149407552 FF Annotated Anodyne Cc1cccc(CCc2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)CO3)c1 ZINC000149407754 FF Annotated Anodyne CCc1ncnc(N2CCC(O)(CC)CC2)c1C#Cc1ccc(C)nc1 ZINC000149410450 FF Annotated Mild Cn1cc2cc(-c3ccc4c(c3)[C@]3(COC(N)=N3)C3(CC3)CO4)ccc2n1 ZINC000149419474 FF Annotated Anodyne Cn1cc2cc(-c3ccc4c(c3)[C@@]3(COC(N)=N3)C3(CC3)CO4)ccc2n1 ZINC000149419689 FF Annotated Anodyne COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnn(C)c2)nc1 ZINC000149616716 FF Annotated Anodyne Cc1cccc(C)c1NC(=O)N/N=C/c1ccc(NS(C)(=O)=O)cc1 ZINC000149716790 FF Annotated Reactive Nc1ncc(-c2ccc(C3(c4noc(-c5cn[nH]c5)n4)CCC3)cc2)cn1 ZINC000149744565 FF Annotated Anodyne Nc1ncc(-c2ccc(C3(c4noc(-c5c[nH]cn5)n4)CCC3)cc2)cn1 ZINC000149791492 FF Annotated Anodyne N#Cc1cccc(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2F)c1 ZINC000149851479 FF Annotated Anodyne N#Cc1cccc(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2F)c1 ZINC000149851918 FF Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2Cl)cc(C#N)n1 ZINC000149870107 FF Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(Cl)c2)cc(C#N)n1 ZINC000149874226 FF Annotated Anodyne Nc1ncc(-c2ccc(C3(c4noc(-c5cc[nH]n5)n4)CCC3)cc2)cn1 ZINC000149883222 FF Annotated Anodyne N#Cc1cc(Cl)cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)n1 ZINC000149913541 FF Annotated Anodyne COc1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2F)cc(Cl)n1 ZINC000149916684 FF Annotated Anodyne COc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)cc(Cl)n1 ZINC000149916894 FF Annotated Anodyne COc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2Cl)cc(C#N)n1 ZINC000149918422 FF Annotated Anodyne Fc1cc([C@@H]2CNCCO2)ccc1Nc1ncc(OCC(F)(F)F)cn1 ZINC000149948699 FF Annotated Anodyne Fc1cc([C@H]2CNCCO2)ccc1Nc1ncc(OCC(F)(F)F)cn1 ZINC000149950718 FF Annotated Anodyne Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1 ZINC000149959972 FF Annotated Anodyne O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnc(C(F)(F)F)cn1 ZINC000149976742 FF Annotated Anodyne Fc1cc(Nc2nccc(OCC(F)(F)F)n2)ccc1[C@@H]1CNCCO1 ZINC000149980941 FF Annotated Anodyne Fc1cc(Nc2nccc(OCC(F)(F)F)n2)ccc1[C@H]1CNCCO1 ZINC000149981609 FF Annotated Anodyne FC(F)(F)COc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1 ZINC000149985579 FF Annotated Anodyne FC(F)(F)COc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1 ZINC000149987382 FF Annotated Anodyne CCCNC1=NC(=O)[C@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 ZINC000001535692 FF Annotated Anodyne N#CCCNC(=S)C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21 ZINC000001536076 FF Annotated Mild COCC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@@H]13 ZINC000001545341 FF Annotated Anodyne O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCCCC1 ZINC000001548559 FF Annotated Anodyne CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN(C2=O)[C@@H]13 ZINC000001565133 FF Annotated Anodyne CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(F)cc2)n(C)c1C ZINC000001566167 FF Annotated Anodyne COc1ccc2c(c1)[n+]([O-])c(-c1c(Cl)cccc1Cl)c(N)[n+]2[O-] ZINC000001616522 FF Annotated Anodyne COc1cc2c(cc1O)C[C@]13CCC(=O)N1CCc1cc(OC)c(O)c-2c13 ZINC000001618652 FF Annotated Anodyne CN(C)/N=N/c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 ZINC000001621577 FF Annotated Reactive O=C1C[C@H]2[C@H](CN(OCc3ccccc3)[C@H]2COC(=O)c2ccccc2)O1 ZINC000001625278 FF Annotated Anodyne O=C1N(c2ccccc2)[C@@]2(O)C(=O)c3ccccc3[C@]2(O)N1c1ccccc1 ZINC000001625508 FF Annotated Anodyne O=C1N(c2ccccc2)[C@@]2(O)C(=O)c3ccccc3[C@@]2(O)N1c1ccccc1 ZINC000001625509 FF Annotated Anodyne O=C1N(c2ccccc2)[C@]2(O)C(=O)c3ccccc3[C@]2(O)N1c1ccccc1 ZINC000001625510 FF Annotated Anodyne O=C1N(c2ccccc2)[C@]2(O)c3ccccc3C(=O)[C@@]2(O)N1c1ccccc1 ZINC000001625511 FF Annotated Anodyne CC(C)N(C(=O)C12C3C4C1C1C2C3C41I)C(C)C ZINC000001626438 FF Annotated Anodyne O=[N+]([O-])c1ccc(-n2nnc(C3=NCCN3)c2-c2ccc(Cl)cc2)cc1 ZINC000001629411 FF Annotated Bother CN(C)CC[C@@](O)(c1ccccc1)[C@@](O)(CCN(C)C)c1ccccc1 ZINC000001629519 FF Annotated Anodyne CN(C)CC[C@](O)(c1ccccc1)[C@@](O)(CCN(C)C)c1ccccc1 ZINC000001629520 FF Annotated Anodyne CN(C)CC[C@](O)(c1ccccc1)[C@](O)(CCN(C)C)c1ccccc1 ZINC000001629522 FF Annotated Anodyne COc1cc(C(=O)O)c(-c2cc3c(cc2C=O)OCO3)c(OC)c1OC ZINC000001630490 FF Annotated Anodyne O=C1[C@@H](Cl)[C@H](c2ccccc2Cl)N1n1cnc2ccccc2c1=O ZINC000001632100 FF Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2ccccc2Cl)N1n1cnc2ccccc2c1=O ZINC000001632101 FF Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccc(Cl)cc2)N1n1cnc2ccccc2c1=O ZINC000001632102 FF Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccc(Cl)cc2)N1n1cnc2ccccc2c1=O ZINC000001632103 FF Annotated Reactive Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000001633079 FF Annotated Reactive Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000001633080 FF Annotated Reactive CC(=O)Nc1ccc(C(=O)NN2C(=O)CS[C@@H]2c2ccccc2)cc1 ZINC000001634695 FF Annotated Anodyne C[C@H](OC(C)(C)C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)C(=O)O ZINC000001634821 FF Annotated Anodyne O=C1C(N2CCCC2)=CC(=O)c2c(O)c(N3CCCC3)c(Cl)c(O)c21 ZINC000001638148 FF Annotated Mild O=C1C=CC(=O)c2c(O)c(N(CCCl)CCCl)c(Cl)c(O)c21 ZINC000001638225 FF Annotated Reactive CCOC(=O)C1=C(C)[C@@H](C(=O)OC)/C(=C/c2cccc3cccnc23)C1=O ZINC000001639086 FF Annotated Mild CCOC(=O)C1=C(C)[C@H](C(=O)OC)/C(=C/c2cccc3cccnc23)C1=O ZINC000001639088 FF Annotated Mild CC(C)=CCc1ccc2[nH]c3c(c2c1)C(=O)C(=O)C(C)=C3[C@H](O)[C@@H](C)O ZINC000001641903 FF Annotated Mild CC(C)=CCc1ccc2[nH]c3c(c2c1)C(=O)C(=O)C(C)=C3[C@@H](O)[C@@H](C)O ZINC000001641904 FF Annotated Mild CC(C)=CCc1ccc2[nH]c3c(c2c1)C(=O)C(=O)C(C)=C3[C@H](O)[C@H](C)O ZINC000001641905 FF Annotated Mild CC(C)=CCc1ccc2[nH]c3c(c2c1)C(=O)C(=O)C(C)=C3[C@@H](O)[C@H](C)O ZINC000001641906 FF Annotated Mild Cc1cc(S(=O)(=O)Nc2nnc3ccccn23)c(S)cc1Cl ZINC000001642340 FF Annotated Anodyne O=C1c2ccccc2C(=O)N1[C@@H](Cc1ccccc1)C(=O)n1cccc1CO ZINC000001644146 FF Annotated Anodyne NC(=O)OCc1c(-c2ccccc2)nn(-c2ccccc2)c1COC(N)=O ZINC000001644291 FF Annotated Anodyne COc1ccc(C(c2ccc(OC)cc2)N2C(=O)CC[C@H]2C(=O)O)cc1 ZINC000001645052 FF Annotated Anodyne COC(=O)[C@@H]1CCC(=O)N1C(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000001645074 FF Annotated Anodyne COc1ccc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)cc1OC ZINC000001645309 FF Annotated Anodyne COc1ccc([C@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)cc1OC ZINC000001645310 FF Annotated Anodyne COc1cc(CNc2nc3ccccc3nc2C(=O)O)cc(OC)c1OC ZINC000001645530 FF Annotated Anodyne Nc1nc(Cl)cc(NC[C@]2(CO)CC[C@H](OCc3ccccc3)C2)n1 ZINC000001645748 FF Annotated Anodyne Nc1nc(Cl)cc(NC[C@]2(CO)CC[C@@H](OCc3ccccc3)C2)n1 ZINC000001645749 FF Annotated Anodyne Nc1nc(Cl)cc(NC[C@@]2(CO)CC[C@H](OCc3ccccc3)C2)n1 ZINC000001645750 FF Annotated Anodyne Nc1nc(Cl)cc(NC[C@@]2(CO)CC[C@@H](OCc3ccccc3)C2)n1 ZINC000001645751 FF Annotated Anodyne CCOP(=O)(CCC[C@@H](O)CNc1cc(Cl)nc(N)n1)OCC ZINC000001645802 FF Annotated Anodyne O=C1CC([C@@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000001646954 FF Annotated Anodyne COc1c(-c2ccc3c(c2)OCO3)oc2cc3c(c(OC)c2c1=O)OCO3 ZINC000001647149 FF Annotated Anodyne O=C1OC[C@@H]2Cc3cc4c(cc3[C@@H](c3ccc5c(c3)OCO5)[C@@H]12)OCO4 ZINC000001647415 FF Annotated Anodyne CCOC(=O)C1=CN[C@H](C(=O)OCC)[C@H]1c1cccn1-c1ccccc1 ZINC000001650874 FF Annotated Anodyne CCOC(=O)C1=CN[C@@H](C(=O)OCC)[C@@H]1c1cccn1-c1ccccc1 ZINC000001650875 FF Annotated Anodyne CCOC(=O)C1=CN[C@H](C(=O)OCC)[C@@H]1c1cccn1-c1ccccc1 ZINC000001650876 FF Annotated Anodyne O=c1[nH]c2ccc(CC(=S)N3CCN(c4ccccc4)CC3)cc2o1 ZINC000001652410 FF Annotated Anodyne CCOC(=O)c1cc2c3c(c(C(C)=O)c(OC)c2[nH]1)N(C(=O)CC)CC3 ZINC000001653960 FF Annotated Anodyne Cc1cnc2c(c1)C(=O)N(c1ccc(Br)cc1)S2(=O)=O ZINC000001654024 FF Annotated Anodyne CCCCc1ccc(N2C(=O)c3cc([N+](=O)[O-])cnc3S2(=O)=O)cc1 ZINC000001654028 FF Annotated Bother COc1ccc(/C=N/n2c(Cc3ccc(Cl)cc3)n[nH]c2=O)c(OC)c1 ZINC000001654982 FF Annotated Mild C[C@H](O)CNC(=O)Nc1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O ZINC000001656560 FF Annotated Anodyne CC(C)(CO)NC(=O)Nc1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O ZINC000001656561 FF Annotated Anodyne C[C@H](O)CCNC(=O)Nc1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O ZINC000001656562 FF Annotated Anodyne Cc1c(C#N)c2nnn(-c3ccc([N+](=O)[O-])cc3)c(=O)n2c1-c1ccccc1 ZINC000001657794 FF Annotated Mild COc1ccc(-n2nnc3c(C#N)c(-c4ccccc4)c(C)n3c2=O)cc1 ZINC000001657800 FF Annotated Mild Cc1cc(C)c2c(=O)n(CN3C[C@H]4Nc5ccccc5[C@H]4C3)sc2n1 ZINC000001659232 FF Annotated Anodyne O=C(CSc1nnc(-c2ccccn2)s1)N/N=C/c1ccccc1 ZINC000001660891 FF Annotated Reactive COC1=C(OC)C(=O)C(Cc2c(Cl)nc3sccn23)=C(C)C1=O ZINC000001662908 FF Annotated Mild COC1=C(OC)C(=O)C(Cc2c(Cl)nc3sc(C)cn23)=C(C)C1=O ZINC000001662910 FF Annotated Mild C[C@]12Cc3cc4c(cc3[C@@]1(c1ccc([N+](=O)[O-])cc1)OCCO2)OCO4 ZINC000001663112 FF Annotated Bother C[C@@]12Cc3cc4c(cc3[C@@]1(c1ccc([N+](=O)[O-])cc1)OCCO2)OCO4 ZINC000001663113 FF Annotated Bother C[C@]12Cc3cc4c(cc3[C@]1(c1ccc([N+](=O)[O-])cc1)OCCO2)OCO4 ZINC000001663114 FF Annotated Bother C[C@@]12Cc3cc4c(cc3[C@]1(c1ccc([N+](=O)[O-])cc1)OCCO2)OCO4 ZINC000001663115 FF Annotated Bother Cc1cc2c(cc1C)[n+]([O-])c(C(F)(F)F)c(C(=O)c1ccccc1)[n+]2[O-] ZINC000001663402 FF Annotated Anodyne O=c1c2cc(I)ccc2nc(-c2cccs2)n1O ZINC000001663526 FF Annotated Anodyne COC(=O)[C@@H]1C[C@]23CCCN4CC[C@]5(c6ccccc6N(C)[C@@]15CC2)[C@H]43 ZINC000001697255 FF Annotated Anodyne COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@H]1O ZINC000001698316 FF Annotated Anodyne in-vitro O[C@H]1OC[C@@H](Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 ZINC000001729381 FF Annotated Anodyne in-man endogenous BrCC[n+]1ccc(-c2cc[n+](CCBr)cc2)cc1 ZINC000001763120 FF Annotated Reactive COC(=O)[C@@H]1c2ccoc2C[C@@H]2[C@H]1[C@@H](O)[C@H](O)[C@H]1C(C)(C)CCC[C@@]12C ZINC000001764209 FF Annotated Anodyne O=C(O)[C@H]1Sc2nc(O)sc2[C@@H]2c3cc(Cl)ccc3OC(=O)[C@H]12 ZINC000001840406 FF Annotated Anodyne CCOC(=O)[C@@](NC(=O)CC)(C(F)(F)F)P(=O)(OCC)OCC ZINC000001856217 FF Annotated Anodyne CCOC(=O)[C@](NC(=O)CC)(Nc1ccc(F)cc1F)C(F)(F)F ZINC000001856265 FF Annotated Anodyne CCC1=CC[C@@]23C(=O)C=CC(=O)[C@]2(C1)C(=O)c1cccc(OC)c1C3=O ZINC000001856405 FF Annotated Mild CCC1=CC[C@]23C(=O)C=CC(=O)[C@@]2(C1)C(=O)c1cccc(OC)c1C3=O ZINC000001856406 FF Annotated Mild O=C1C(NCCc2cc(Cl)c(O)c(Cl)c2)=CC(=O)c2[nH]cnc21 ZINC000001856835 FF Annotated Mild CNc1nc2n(CCO)c(-c3ccccc3)c(-c3ccccc3)nc-2c(=O)n1 ZINC000001857660 FF Annotated Anodyne N#Cc1c(N)c2c(c(-c3ccccc3)c1-c1ccccc1)C(=O)N(N)C2=O ZINC000001859604 FF Annotated Mild CC(C)Oc1c(C2(c3ccccc3O)SCCCS2)c(=O)c1=O ZINC000001860380 FF Annotated Anodyne O=[N+]([O-])C(=C1Nc2ccccc2N1)/C(Cl)=C(/Cl)N1CCOCC1 ZINC000001860589 FF Annotated Anodyne CCOC(=O)c1cc2/c(=C/c3ccc(N(C)C)cc3)c3ccccc3n2[n+]1C ZINC000001861417 FF Annotated Clean COc1ccc(-n2nnc3c(C#N)c(C)c(-c4ccccc4)n3c2=O)cc1 ZINC000001862656 FF Annotated Mild COC(=O)c1ccc(NC(=O)c2cc3c(cc2Br)OCO3)o1 ZINC000001863636 FF Annotated Anodyne COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)C(C(N)=O)=C2 ZINC000001909395 FF Annotated Anodyne O=C(OCc1cccs1)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12 ZINC000001912816 FF Annotated Anodyne O=S(=O)(c1ccccc1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21 ZINC000001916190 FF Annotated Clean CC(=O)OC[C@H]1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H]3C[C@H]1[C@@H](C=O)[C@H](C)N32 ZINC000015045049 FF Annotated Mild CC(=O)/C=C/[C@@H]1[C@](C)(O)[C@H](O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]12C ZINC000015053183 FF Annotated Mild in-man endogenous CC(=O)/C=C/[C@@H]1[C@](C)(O)[C@H](O)[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]12C ZINC000015053185 FF Annotated Mild in-man endogenous CC(=O)/C=C/[C@@H]1[C@](C)(O)[C@@H](O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]12C ZINC000015053188 FF Annotated Mild in-man endogenous CC(=O)/C=C/[C@H]1[C@@](C)(O)[C@H](OC(C)=O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@]21C ZINC000015053194 FF Annotated Mild in-man endogenous CC(=O)/C=C/[C@H]1[C@@](C)(O)[C@@H](OC(C)=O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@]21C ZINC000015053197 FF Annotated Mild in-man endogenous CC(=O)/C=C/[C@H]1[C@@](C)(O)[C@H](OC(C)=O)[C@H](O)[C@@H]2C(C)(C)CCC[C@]21C ZINC000015053199 FF Annotated Mild in-man endogenous CC(=O)/C=C/[C@H]1[C@@](C)(O)[C@@H](OC(C)=O)[C@H](O)[C@@H]2C(C)(C)CCC[C@]21C ZINC000015053202 FF Annotated Mild in-man endogenous CC(=O)O[C@H]1C/C(C)=C/C[C@@H](OC(C)=O)/C(C)=C/[C@@H]2OC(=O)[C@H](C)[C@@H]21 ZINC000015058647 FF Annotated Anodyne in-man endogenous CC(=O)O[C@H]1C/C(C)=C/C[C@@H](OC(C)=O)/C(C)=C/[C@@H]2OC(=O)[C@H](C)[C@H]21 ZINC000015058648 FF Annotated Anodyne in-man endogenous CC(=O)O[C@H]1C/C(C)=C/C[C@@H](OC(C)=O)/C(C)=C/[C@@H]2OC(=O)[C@@H](C)[C@H]21 ZINC000015058649 FF Annotated Anodyne in-man endogenous Cc1nnsc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1F ZINC000015064778 FF Annotated Anodyne Cc1nnsc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccccc1F ZINC000015064779 FF Annotated Anodyne Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)CN2CCOC2=O)C1 ZINC000015066182 FF Annotated Anodyne Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)CN2CCOC2=O)C1 ZINC000015066183 FF Annotated Anodyne CC[C@@H](Nc1nc2nonc2nc1N1CCSCC1)c1ccncc1 ZINC000015068247 FF Annotated Anodyne CC[C@H](Nc1nc2nonc2nc1N1CCSCC1)c1ccncc1 ZINC000015068249 FF Annotated Anodyne COc1ccc(OCc2cc(C(=O)NCC3(C)COC3)no2)c(Cl)c1 ZINC000015069625 FF Annotated Anodyne CC(=O)c1ccc(OCc2cc(C(=O)N[C@H](C)c3cnn(C)c3)no2)cc1 ZINC000015070731 FF Annotated Anodyne CC(=O)c1ccc(OCc2cc(C(=O)N[C@@H](C)c3cnn(C)c3)no2)cc1 ZINC000015070732 FF Annotated Anodyne COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C(=O)C2=CCCC2)C1 ZINC000015073273 FF Annotated Anodyne COc1ccccc1OCC(=O)NC[C@H]1CCCN(C(=O)C2=CCCC2)C1 ZINC000015073274 FF Annotated Anodyne CN(C)c1ncc2c(n1)CCC[C@@H]2NCc1nc(-c2ccccc2)no1 ZINC000015073441 FF Annotated Anodyne CN(C)c1ncc2c(n1)CCC[C@H]2NCc1nc(-c2ccccc2)no1 ZINC000015073442 FF Annotated Anodyne COCCCC1CCN(C(=O)[C@@H]2CCC(=O)N(C3CCCC3)C2)CC1 ZINC000015073646 FF Annotated Anodyne COCCCC1CCN(C(=O)[C@H]2CCC(=O)N(C3CCCC3)C2)CC1 ZINC000015073647 FF Annotated Anodyne COc1cccc(OC)c1-c1cnnc(N[C@@H](C)c2cnn(C)c2C)n1 ZINC000015079904 FF Annotated Anodyne COc1cccc(OC)c1-c1cnnc(N[C@H](C)c2cnn(C)c2C)n1 ZINC000015079907 FF Annotated Anodyne C=C1CC[C@@H](C(C)=O)[C@@H](OC(=O)/C=C/C(C)(C)O)/C=C(\C)CC[C@@H]1O ZINC000015105082 FF Annotated Mild C=C(C(=O)OC)C1=C[C@]2(O)CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]2[C@@H](O)C1=O ZINC000015107535 FF Annotated Mild C=C1C(=O)C[C@H]2C(=C)C(=O)O[C@@H]2/C=C(\COC(=O)C(C)C)CC[C@@H]1OC ZINC000015109183 FF Annotated Mild CC1=C(CC[C@@]2(O)COC(=O)C2)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H](O)C1=O ZINC000015110648 FF Annotated Mild CC1=C(CC[C@]2(O)COC(=O)C2)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H](O)C1=O ZINC000015110649 FF Annotated Mild in-vitro biogenic CC(=O)OCC1=C[C@H]2C(=C(C)C)C(=O)C[C@@H](C)[C@]2(O)[C@@H]2C=C(C)C(=O)[C@@H]2C1 ZINC000015116138 FF Annotated Mild COc1cc2cc3n(C)c(=O)c(=O)c4ccc(OC)c(oc2cc1OC)c4-3 ZINC000015121685 FF Annotated Bother NC1=N[C@@H](c2c(Br)[nH]c3ccc(Br)cc23)CN1 ZINC000015122148 FF Annotated Anodyne NC1=N[C@H](c2c(Br)[nH]c3ccc(Br)cc23)CN1 ZINC000015122149 FF Annotated Anodyne COc1cc2c(cc1OC)[C@@H](O)[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C ZINC000015148298 FF Annotated Anodyne COc1cc2c(cc1OC)[C@H](O)[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C ZINC000015148300 FF Annotated Anodyne COc1c2c(cc3c1OCO3)[C@]13C[C@@H](OC)[C@@H](OC)C=C1CCN3CCC2 ZINC000015148617 FF Annotated Anodyne COc1cc([C@@H]2Oc3c(OC)cc(/C=C\CO)cc3[C@@H]2CO)ccc1O ZINC000015152826 FF Annotated Anodyne in-man COc1cc([C@H]2Oc3c(OC)cc(/C=C\CO)cc3[C@@H]2CO)ccc1O ZINC000015152829 FF Annotated Anodyne in-man COc1cc([C@@H]2Oc3c(OC)cc(/C=C\CO)cc3[C@H]2CO)ccc1O ZINC000015152832 FF Annotated Anodyne in-man COc1cc([C@H]2Oc3c(OC)cc(/C=C\CO)cc3[C@H]2CO)ccc1O ZINC000015152835 FF Annotated Anodyne in-man COc1cc([C@H]2Oc3c(OC)cc(/C=C\C=O)cc3[C@@H]2CO)ccc1O ZINC000015152895 FF Annotated Reactive COc1cc(O)cc([C@H]2Oc3c(OC)cc(/C=C/C(=O)O)cc3[C@@H]2CO)c1 ZINC000015153086 FF Annotated Anodyne in-vitro biogenic COc1cc(O)cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)O)cc3[C@H]2CO)c1 ZINC000015153089 FF Annotated Anodyne C=C1CCC[C@H](C)[C@@H](O)[C@@H]2OC(=O)C(=C)[C@@H]2C[C@H]2O[C@]2(C)CC[C@@H]1O ZINC000015157064 FF Annotated Mild COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2CO)cc(O)c1O ZINC000015161139 FF Annotated Reactive C[C@@H]1C[C@@H](O)[C@@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000015162139 FF Annotated Anodyne C[C@H]1C[C@@H](O)[C@@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000015162142 FF Annotated Anodyne C[C@@H]1C[C@H](O)[C@@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000015162145 FF Annotated Anodyne C[C@H]1C[C@H](O)[C@@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000015162148 FF Annotated Anodyne C[C@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@@]13COC(=O)C1=CCC[C@@]23O ZINC000015162362 FF Annotated Anodyne C[C@@H]1C[C@@H](O)[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000015162493 FF Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@H](O)[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000015162497 FF Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)C3=CCC[C@H]([C@@]14C[C@@H](c1ccoc1)OC4=O)[C@]32CO ZINC000015162568 FF Annotated Anodyne COc1cc([C@@H](O)[C@@H]2CO2)ccc1-c1cc(/C=C\CO)cc(OC)c1O ZINC000015166527 FF Annotated Anodyne COc1cc([C@H]2Oc3c(OC)cc(CCC(=O)O)cc3[C@@H]2CO)ccc1O ZINC000015169072 FF Annotated Anodyne COc1cc([C@@]2(COC(=O)C(C)C)CO2)c(OC(=O)C(C)C)cc1C ZINC000015169460 FF Annotated Anodyne CC1=CC(=O)[C@@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000015193700 FF Annotated Mild C/C=C1\CN(C)C[C@@]2(C(=O)OC)Cc3c([nH]c4ccccc34)C(=O)C[C@@H]12 ZINC000015203398 FF Annotated Anodyne C[C@@](O)(CO)c1cc2c3c(ccc2o1)[C@@H]1COc2cc(O)ccc2[C@@H]1O3 ZINC000015203758 FF Annotated Anodyne C[C@](O)(CO)c1cc2c3c(ccc2o1)[C@@H]1COc2cc(O)ccc2[C@@H]1O3 ZINC000015203760 FF Annotated Anodyne COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CCN3C[C@H]2OC(C)=O ZINC000015203910 FF Annotated Anodyne CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]3O)CC[C@@]2(C)CCC1 ZINC000015209457 FF Annotated Anodyne in-man CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)CC[C@@]2(C)CCC1 ZINC000015209460 FF Annotated Anodyne in-man CC1=C2C[C@H](C(C)(C)O[C@H]3O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]3O)CC[C@@]2(C)CCC1 ZINC000015209462 FF Annotated Anodyne in-man CC1=C2C[C@H](C(C)(C)O[C@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)CC[C@@]2(C)CCC1 ZINC000015209464 FF Annotated Anodyne in-man COc1c(OC/C=C(\C)C[C@@H]2C[C@](C)(O)C(=O)O2)ccc2ccc(=O)oc12 ZINC000015212302 FF Annotated Anodyne COc1cc2c(cc1O)[C@]1(Cc3ccc4c(c3C1)OCO4)[N+](C)([O-])CC2 ZINC000015219648 FF Annotated Bother COc1cc2c(cc1O)[C@@H]1O[C@H](OC)c3c(ccc4c3OCO4)[C@@H]1NCC2 ZINC000015257564 FF Annotated Anodyne COc1cc2cc[n+](C)c3c2c(c1O)-c1c(ccc(OC)c1OC)C3=O ZINC000015257695 FF Annotated Anodyne O=C1NC(=O)c2c1c1[nH]cnc1c1[nH]c3cc(Br)ccc3c21 ZINC000015263528 FF Annotated Bother COc1cc(OC)c2c(c1)[C@](C)(O)C1=NCCc3cc4c(c-2c31)OCO4 ZINC000015265671 FF Annotated Anodyne COc1ccc2c(c1)[C@@](C)(O)C1=NCCc3c(OC)c(OC)c(O)c-2c31 ZINC000015265677 FF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)OC1(C)C ZINC000015267014 FF Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)OC1(C)C ZINC000015267016 FF Annotated Anodyne in-vitro biogenic FC(F)(F)COc1ccnc(Nc2ccc([C@H]3CNCCO3)cc2)n1 ZINC000150008081 FF Annotated Anodyne FC(F)(F)COc1ccnc(Nc2ccc([C@@H]3CNCCO3)cc2)n1 ZINC000150008937 FF Annotated Anodyne Fc1cc(Nc2ncc(OCC(F)(F)F)cn2)ccc1[C@@H]1CNCCO1 ZINC000150024285 FF Annotated Anodyne Fc1cc(Nc2ncc(OCC(F)(F)F)cn2)ccc1[C@H]1CNCCO1 ZINC000150024982 FF Annotated Anodyne Fc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1OCC(F)(F)F ZINC000150040580 FF Annotated Anodyne Fc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1OCC(F)(F)F ZINC000150041246 FF Annotated Anodyne Nc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1 ZINC000150260302 FF Annotated Anodyne Nc1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1 ZINC000150260530 FF Annotated Anodyne C[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1cccc(C#N)c1 ZINC000150299594 FF Annotated Mild Cn1cncc1C#Cc1ccn2c(-c3cccc(NC(N)=O)c3)cnc2c1 ZINC000150336215 FF Annotated Mild CC(C)CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000150338619 FF Annotated Anodyne CN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CCCC5)c1c4n23 ZINC000150563488 FF Annotated Anodyne O=C(O)c1c(=O)c2cc(F)c(N3CCCC3)c3c2n2c(csc12)CO3 ZINC000150580007 FF Annotated Anodyne CCOC(=O)CCc1c(C)nc2nc(NCc3ccccc3C)nn2c1O ZINC000015668913 FF Annotated Anodyne CCOC(=O)CCc1c(C)nc2nc(NCc3cccc(C)c3)nn2c1O ZINC000015668928 FF Annotated Anodyne COc1cc(CNc2nc3nc4c(c(O)n3n2)CCC4)ccc1OC(C)C ZINC000015669039 FF Annotated Anodyne O=C1C=Cc2ccccc2/C1=C/NNC(=O)c1ccc(Br)o1 ZINC000015879919 FF Annotated Reactive COC1=CC(=CNNC(=O)c2cccc3ccccc23)C=C(OC)C1=O ZINC000015885142 FF Annotated Reactive Cc1cc(C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)n[nH]1 ZINC000015895054 FF Annotated Reactive O=c1c(/C=N\NS(=O)(=O)c2ccccc2)coc2ccc(Cl)cc12 ZINC000015919445 FF Annotated Mild O=C1CN(c2cc(Cl)cc(Cl)c2)C(=O)CN1/N=C\c1cccnc1 ZINC000015924250 FF Annotated Mild COC(=O)N1C(=O)[C@](Cc2ccccc2)(c2ccccc2)N1C(=O)OC ZINC000015924764 FF Annotated Anodyne COC(=O)N1C(=O)[C@@](Cc2ccccc2)(c2ccccc2)N1C(=O)OC ZINC000015924768 FF Annotated Anodyne C/C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)=C1/C=Nc2ccccc21 ZINC000015933724 FF Annotated Bother C/C(NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)=C1/C=Nc2ccccc21 ZINC000015934491 FF Annotated Bother COc1ccc(OC)c(S(=O)(=O)NN/C(C)=C2\C=Nc3ccccc32)c1 ZINC000015934494 FF Annotated Anodyne O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000015934803 FF Annotated Anodyne CCC[C@H]1COCCS(=O)(=O)N1Cc1ccc(Br)cc1 ZINC000015935030 FF Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)O[C@H]1C[C@@H]2CCN3C(=O)CC[C@H](C1)[C@H]23 ZINC000015935328 FF Annotated Anodyne Cc1ccc(N(CC(=O)NCc2ccccc2)C(=O)c2csnn2)cc1 ZINC000015935684 FF Annotated Anodyne CC(=O)c1ccc(OCc2cc(C(=O)N(C)Cc3nc(C)c[nH]3)no2)cc1 ZINC000015936447 FF Annotated Anodyne NC(=O)c1ccc2c(=O)c(O)c(-c3cc(Cl)c(N)c(Cl)c3)[nH]c2c1 ZINC000015937205 FF Annotated Anodyne CCOc1cc(C(=O)/N=c2\sccn2C)cc(Br)c1OC ZINC000015940887 FF Annotated Anodyne CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21 ZINC000015941938 FF Annotated Anodyne CCc1nn([C@@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)c(=O)c2cc3occc3n12 ZINC000015943623 FF Annotated Anodyne COCCNC(=O)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 ZINC000015952435 FF Annotated Clean COCCNC(=O)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 ZINC000015952436 FF Annotated Clean COCCNC(=O)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]21 ZINC000015952437 FF Annotated Clean COCCNC(=O)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]12 ZINC000015952438 FF Annotated Clean Nc1c(/C=C2/C=CC(=O)C(O)=C2)c(=O)nc2scc(-c3ccccc3)n12 ZINC000015952676 FF Annotated Mild C[C@@H]1C[C@@H]2O[C@H]2/C=C\C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 ZINC000015952998 FF Annotated Mild C[C@@H]1C[C@@H]2O[C@H]2/C=C/C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 ZINC000015952999 FF Annotated Mild O=C(CCC(=O)Nc1ccc(F)cc1)NN/C=C1\C=Nc2ccccc21 ZINC000015953310 FF Annotated Reactive CN(Cc1nc2cc(Cl)ccc2[nH]1)Cc1nc(-c2cnccn2)no1 ZINC000015961734 FF Annotated Anodyne Cc1c[nH]c(CN(C)C(=O)c2cc(COc3c(F)cccc3F)on2)n1 ZINC000015961769 FF Annotated Anodyne O=C1C=CC(Cl)=C/C1=C\NNC(=O)c1ccccc1Br ZINC000015962158 FF Annotated Reactive CCOC1=C/C(=C/NNC(=O)c2c(-c3ccccc3)noc2C)C=CC1=O ZINC000015962467 FF Annotated Reactive C/C(=N/NC(=O)c1ccc(C(=O)N/N=C(\C)c2ccco2)o1)c1ccco1 ZINC000015994323 FF Annotated Reactive CC[C@@]12CCCN(C1)C(=O)C(=O)[C@H]1/C(=C(/C(=O)OC)C2)Nc2ccccc21 ZINC000157192004 FF Annotated Anodyne CCOC(=O)[C@@H]1CN2C(=NC(=O)C2(c2ccccc2)c2ccccc2)S1 ZINC000163190182 FF Annotated Anodyne CCOC(=O)[C@H]1CN2C(=NC(=O)C2(c2ccccc2)c2ccccc2)S1 ZINC000163190309 FF Annotated Anodyne Cc1c(C(=O)N2CCN(C)CC2)sc2ncnc(N3CCCC[C@@H]3C)c12 ZINC000164910837 FF Annotated Anodyne Cc1c(C(=O)N2CCN(C)CC2)sc2ncnc(N3CCCC[C@H]3C)c12 ZINC000164910977 FF Annotated Anodyne CCC(CC)C1=NO[C@H]2[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@H]2C(=O)OC ZINC000164982620 FF Annotated Anodyne O=C1C=CC(Cl)=C/C1=C\NNC(=O)c1ccc(Br)cc1 ZINC000016663520 FF Annotated Reactive N#CC1=C[C@@H]2CN(Cc3ccccc3)[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000016916908 FF Annotated Reactive C/C=C1/CO[C@@H](O)[C@]2(C(=O)OC)[C@H]1Cc1nccc3c4ccccc4n2c13 ZINC000165016385 FF Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1C[C@H]1O[C@]1(C)C/C=C\[C@@](C)(O)CCC[C@H](C)[C@H]2O ZINC000166168881 FF Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1C[C@H]1O[C@]1(C)CC[C@@H](O)C(=C)CCC[C@H](C)[C@H]2O ZINC000166168998 FF Annotated Mild COC(=O)C1=C[C@@]23C=C(C)CC[C@H]2[C@@]2(C)[C@@H]1C(=O)[C@H](C(C)C)C[C@@]2(O)O3 ZINC000166406946 FF Annotated Anodyne O=C(NO)c1cnc(NC2(c3ccc(C(F)(F)F)c(F)c3)CC2)nc1 ZINC000166651273 FF Annotated Anodyne C=C(CCCC(C)=O)[C@H](C(=O)O)[C@H](CC=O)/C(C=O)=C\C=C\C(C)(C)O ZINC000166759952 FF Annotated Reactive C=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1C[C@]2(C)[C@@]1(O)C=C[C@](C)(CO)OO1 ZINC000166781947 FF Annotated Reactive COc1ccc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c(C)c1 ZINC000167145763 FF Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c(C)c1 ZINC000167145871 FF Annotated Anodyne COc1ccc(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)c(C)c1 ZINC000167145982 FF Annotated Anodyne COc1ccc2[nH]c(C)c(CCN3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@H]4C3=O)c2c1 ZINC000167310628 FF Annotated Anodyne CCOc1ccc(CCN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)cc1OCC ZINC000167311747 FF Annotated Anodyne NC(N)=NC(=O)c1ccc2c(F)cnc(-c3c(F)cncc3Cl)c2c1 ZINC000167819085 FF Annotated Mild N#Cc1cccc(N2CC[C@H](S(=O)(=O)c3ccc(F)cc3Cl)C2)n1 ZINC000168413632 FF Annotated Mild Cc1nc(/C=C/c2c(-c3ccccn3)nnn2C)sc1C(=O)NC(C)C ZINC000168473232 FF Annotated Anodyne C/C1=C/CC[C@@](C)(O)[C@H]2C[C@H](CC[C@](C)(O)[C@H](O)CC1)[C@@H](C)C(=O)O2 ZINC000169292609 FF Annotated Anodyne C=C1CC[C@@H](C(C)=O)[C@@H](OC(=O)/C=C/C(C)(C)O)/C=C(/C)CC[C@@H]1O ZINC000169292814 FF Annotated Mild COc1cccc2c1O[C@@H]1C=C(OC[C@@](C)(O)CCl)C=C(O)[C@@H]1C2=O ZINC000169293095 FF Annotated Reactive COc1cccc2c1O[C@H]1C=C(OC[C@@](C)(O)CCl)C=C(O)[C@@H]1C2=O ZINC000169293096 FF Annotated Reactive COc1cccc2c1O[C@@H]1C=C(OC[C@](C)(O)CCl)C=C(O)[C@@H]1C2=O ZINC000169293097 FF Annotated Reactive COc1cccc2c1O[C@H]1C=C(OC[C@](C)(O)CCl)C=C(O)[C@@H]1C2=O ZINC000169293098 FF Annotated Reactive COC(=O)C1(C(=O)OC)C/C=C/C/C=C\c2ccccc2[C@@H]1C[N+](=O)[O-] ZINC000169293220 FF Annotated Bother COC(=O)C1(C(=O)OC)C/C=C\C/C=C/c2ccccc2[C@@H]1C[N+](=O)[O-] ZINC000169293221 FF Annotated Bother COC(=O)C1(C(=O)OC)C/C=C/C/C=C/c2ccccc2[C@@H]1C[N+](=O)[O-] ZINC000169293222 FF Annotated Bother CCOC(=O)[C@@H]1S[C@@]2(C(F)(F)F)C[C@@]1(O)c1c(C)cc(C)nc1O2 ZINC000169293348 FF Annotated Anodyne CCOC(=O)[C@H]1S[C@@]2(C(F)(F)F)C[C@@]1(O)c1c(C)cc(C)nc1O2 ZINC000169293349 FF Annotated Anodyne CC(=O)O[C@@H]1/C=C(/C)CC[C@H]2O[C@@]2(C=O)C[C@@H](OC(C)=O)[C@@H]1C(C)C ZINC000169293502 FF Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H](O)[C@@](C)(O)CC/C=C(/C)CC[C@@H]2O ZINC000169293550 FF Annotated Mild COc1ccc2c(c1)O[C@]1(C)C[C@@H]2[C@@H](C(=O)c2ccccc2OC)C(=O)N1 ZINC000169293553 FF Annotated Anodyne COc1ccc2c(c1)O[C@@]1(C)C[C@H]2[C@@H](C(=O)c2ccccc2OC)C(=O)N1 ZINC000169293554 FF Annotated Anodyne CCOC(=O)C[C@@H]1O[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(C)cc1 ZINC000169293899 FF Annotated Anodyne CCOC(=O)C[C@@H]1O[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(C)cc1 ZINC000169293900 FF Annotated Anodyne Cc1cc(C)cc(OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1 ZINC000169294914 FF Annotated Anodyne Cc1cc(C)cc(OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 ZINC000169294916 FF Annotated Anodyne Cc1cc(C)cc(OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c1 ZINC000169294918 FF Annotated Anodyne Cc1cc(C)cc(OC(=O)CCN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 ZINC000169294919 FF Annotated Anodyne CC(C)(C)NC(=O)[C@H]1C(=O)CN[C@@]23CCCC[C@@H]2[C@@H]1c1ccccc1O3 ZINC000169296633 FF Annotated Anodyne CCOC(=O)[C@H]1C(=O)C=C(C)[C@H](C(=O)OCC)[C@@H]1c1ccc(OC)cc1 ZINC000169296747 FF Annotated Mild COCC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@@H]13 ZINC000169297311 FF Annotated Anodyne COC(=O)[C@]12CC3(CC[C@@H]4[C@@H]5[C@H]([C@@H](OCc6ccccc6)[C@@H]41)[C@@H]52)OCCO3 ZINC000169298676 FF Annotated Anodyne COC(=O)[C@@]12CC3(CC[C@@H]4[C@@H]5[C@H]([C@@H](OCc6ccccc6)[C@@H]41)[C@@H]52)OCCO3 ZINC000169298678 FF Annotated Anodyne COC(=O)[C@]12CC3(CC[C@H]4[C@@H]5[C@H]([C@@H](OCc6ccccc6)[C@@H]41)[C@@H]52)OCCO3 ZINC000169298680 FF Annotated Anodyne COC(=O)[C@@]12CC3(CC[C@H]4[C@@H]5[C@H]([C@@H](OCc6ccccc6)[C@@H]41)[C@@H]52)OCCO3 ZINC000169298681 FF Annotated Anodyne CC1(C)CC(=O)C=C(NC2=C[C@@H]3O[C@H](c4ccccc4)OC[C@@H]3OC2=O)C1 ZINC000169299177 FF Annotated Mild CC1(C)CC(=O)C=C(NC2=C[C@H]3O[C@H](c4ccccc4)OC[C@@H]3OC2=O)C1 ZINC000169299178 FF Annotated Mild Cc1cccc(OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1C ZINC000169299321 FF Annotated Anodyne Cc1cccc(OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1C ZINC000169299322 FF Annotated Anodyne Cc1cccc(OC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c1C ZINC000169299324 FF Annotated Anodyne Cc1cccc(OC(=O)CCN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1C ZINC000169299325 FF Annotated Anodyne Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@@H](C(=O)NCc2ccco2)N(C)[C@@H]31 ZINC000169299456 FF Annotated Anodyne COCCNC(=O)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 ZINC000169299653 FF Annotated Clean COCCNC(=O)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12 ZINC000169299654 FF Annotated Clean N#C[C@@H]1C[C@@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000169300630 FF Annotated Mild N#CC1=C[C@@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000169300717 FF Annotated Reactive N#CC1=C[C@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000169300718 FF Annotated Reactive O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)[C@@H]1CCCCN1 ZINC000169302635 FF Annotated Anodyne O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)[C@@H]1CCCCN1 ZINC000169302636 FF Annotated Anodyne O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)[C@H]1CCCCN1 ZINC000169302637 FF Annotated Anodyne O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)[C@H]1CCCCN1 ZINC000169302638 FF Annotated Anodyne C[C@H](C(=O)Nc1ccccn1)N(c1ccccc1Cl)S(C)(=O)=O ZINC000169302974 FF Annotated Anodyne C[C@@H](C(=O)Nc1ccccn1)N(c1ccccc1Cl)S(C)(=O)=O ZINC000169302975 FF Annotated Anodyne O[C@@H](CO/N=C(\Cl)c1nc2ccccc2o1)CN1CCC[C@@H](F)C1 ZINC000169303220 FF Annotated Mild O[C@H](CO/N=C(\Cl)c1nc2ccccc2o1)CN1CCC[C@@H](F)C1 ZINC000169303221 FF Annotated Mild CCCCn1nnnc1[C@@]1(C)CCC(=O)N1Cc1ccc(OC)c(OC)c1 ZINC000169303479 FF Annotated Anodyne CCCCn1nnnc1[C@]1(C)CCC(=O)N1Cc1ccc(OC)c(OC)c1 ZINC000169303480 FF Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)O[C@@H](CO)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169303763 FF Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)O[C@@H](CO)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169303764 FF Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)O[C@@H](CO)CN2[C@@H]1c1ccc(Br)cc1 ZINC000169303766 FF Annotated Anodyne C[C@@]1(c2nnnn2C2CCCC2)CCC(=O)N1c1ccc2c(c1)OCCO2 ZINC000169303788 FF Annotated Anodyne C[C@]1(c2nnnn2C2CCCC2)CCC(=O)N1c1ccc2c(c1)OCCO2 ZINC000169303789 FF Annotated Anodyne CCC(CC)CN1CCC(CN2C(=O)C(=O)NC[C@@H]2CC(C)C)CC1 ZINC000169304577 FF Annotated Anodyne COC(=O)c1cc(NC(C)=O)cnc1N1CCC(NC2CCCCC2)CC1 ZINC000169304601 FF Annotated Anodyne COc1cc(CC(=O)Nc2c(O)n[nH]c2-c2ccccc2)cc(OC)c1 ZINC000169304815 FF Annotated Anodyne C[C@H](C(=O)Nc1ccc(F)nc1)N(c1ccccc1Cl)S(C)(=O)=O ZINC000169305279 FF Annotated Anodyne C[C@@H](C(=O)Nc1ccc(F)nc1)N(c1ccccc1Cl)S(C)(=O)=O ZINC000169305281 FF Annotated Anodyne CCO[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1CC ZINC000169306325 FF Annotated Anodyne CCO[C@H]1C[C@@H](C)C([N+](=O)[O-])=C(NCc2ccc(Cl)nc2)N1CC ZINC000169306326 FF Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])[C@@H](C)C[C@@H](OC)N1C ZINC000169306447 FF Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])[C@H](C)C[C@@H](OC)N1C ZINC000169306448 FF Annotated Anodyne NC(=O)n1nc(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2cccnc2)c1O ZINC000169307462 FF Annotated Clean C/C1=C/[C@@H]2O[C@@H](O)[C@@]3(C)O[C@@]23CC/C(C)=C/CC[C@](C)(O)[C@H](O)CC1 ZINC000169307647 FF Annotated Anodyne C/C1=C/CC[C@](C)(O)[C@H](O)CC/C(C)=C/[C@@H]2O[C@@H](O)[C@@]3(C)O[C@@]23CC1 ZINC000169307648 FF Annotated Anodyne C/C1=C/[C@@H]2O[C@@H](O)[C@@]3(C)O[C@@]23CC/C(C)=C\CC[C@](C)(O)[C@H](O)CC1 ZINC000169307650 FF Annotated Anodyne C/C1=C/[C@@H]2O[C@@H](O)[C@@]3(C)O[C@@]23CC/C(C)=C/CC[C@](C)(O)[C@@H](O)CC1 ZINC000169307663 FF Annotated Anodyne C/C1=C/CC[C@](C)(O)[C@@H](O)CC/C(C)=C/[C@@H]2O[C@@H](O)[C@@]3(C)O[C@@]23CC1 ZINC000169307665 FF Annotated Anodyne C/C1=C/[C@@H]2O[C@@H](O)[C@@]3(C)O[C@@]23CC/C(C)=C\CC[C@](C)(O)[C@@H](O)CC1 ZINC000169307666 FF Annotated Anodyne O=S1(=O)c2cc(N3CCN4CCC3CC4)ccc2-c2cccc(F)c21 ZINC000169308789 FF Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CNCCCn3ccnc3)[C@@H]2CC1 ZINC000169308971 FF Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](Cn3cnc([N+](=O)[O-])c3)[C@@H]2CC1 ZINC000169308977 FF Annotated Bother C/C(NCCOc1ccccc1)=C1\C(=O)N2[C@H](C(C)(C)C)OC[C@@]2(C)C1=O ZINC000169309160 FF Annotated Mild Cc1cc(=O)n2c(C)cc3c(OCCCCNCCN(C)C)ccc1c32 ZINC000169310491 FF Annotated Anodyne CCCCCC/C(Nc1ccc(N2CCOCC2)cc1)=C1\C(=O)CNC1=O ZINC000169310886 FF Annotated Mild Cc1nc([C@@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 ZINC000169311425 FF Annotated Anodyne Cc1nc([C@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 ZINC000169311427 FF Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)[C@@H](O)CO ZINC000169312179 FF Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@](C)(O)[C@@H](O)CO ZINC000169312180 FF Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)[C@H](O)CO ZINC000169312181 FF Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@](C)(O)[C@H](O)CO ZINC000169312182 FF Annotated Mild NC[C@H]1CN(CCc2ccncc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F ZINC000169312424 FF Annotated Anodyne C=C1C(=O)[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@]4(C)CN(CCO)[C@H]1O[C@@H]3C[C@@H]24 ZINC000169312928 FF Annotated Mild C=C1[C@H]2CC[C@@]3(C(=O)C(=C)[C@@H]4[C@@]5(C)CCC[C@@]4(CN(CCO)C5)[C@@H]3C2)[C@H]1O ZINC000169312939 FF Annotated Mild C=C1C(=O)[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@](C)(CN(CCO)C1)[C@H]2CC3=O ZINC000169312940 FF Annotated Mild C=C1C(=O)[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@](C)(CN(CCO)C1)[C@H]2C(=C)C3=O ZINC000169312941 FF Annotated Mild CCNC(=O)Nc1cc(Br)c(-c2cncc(C(=O)O)c2)cn1 ZINC000169313074 FF Annotated Anodyne CCCCCOc1cccnc1NC(=O)c1cnc2ccccn2c1=O ZINC000169313141 FF Annotated Anodyne Cc1ccc2cc1C(=O)N[C@H](C(=O)O)Cc1cccc(c1)OC/C=C\CO2 ZINC000169313226 FF Annotated Anodyne O=C1N[C@H](C(=O)O)Cc2cccc(c2)OC/C=C\COc2ccc1c(F)c2 ZINC000169313228 FF Annotated Anodyne O=C1N[C@H](C(=O)O)Cc2cccc(c2)OC/C=C\COc2cccc(F)c21 ZINC000169313316 FF Annotated Anodyne C/C(=N/NC(=S)N1CCN(c2ccc(F)cc2)CC1)c1ccccn1 ZINC000169314817 FF Annotated Mild O=C(O)CCCCC(=O)O[C@@]12CCCC[C@@H]1[C@@H]1CCCC[C@@]1(O)OO2 ZINC000169315410 FF Annotated Reactive O=C(O)CCCCC(=O)O[C@]12CCCC[C@@H]1[C@@H]1CCCC[C@@]1(O)OO2 ZINC000169315411 FF Annotated Reactive O=C(O)CCCCC(=O)O[C@@]12CCCC[C@H]1[C@@H]1CCCC[C@@]1(O)OO2 ZINC000169315413 FF Annotated Reactive C[S+](C)c1ccc(CS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000169315866 FF Annotated Mild O=[N+]([O-])c1ccc(OS(=O)(=O)Cc2ccc(-[n+]3ccccc3)cc2)cc1 ZINC000169315868 FF Annotated Bother C[S+](C)c1cccc(CS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000169315870 FF Annotated Mild O=[N+]([O-])c1ccc(OS(=O)(=O)Cc2cccc(-[n+]3ccccc3)c2)cc1 ZINC000169315872 FF Annotated Bother COc1ccc(C(=O)/N=C2\N[C@@]3(CCCCO3)CCS2)cc1OC ZINC000169316201 FF Annotated Mild COc1ccc(C(=O)/N=C2\N[C@]3(CCCCO3)CCS2)cc1OC ZINC000169316202 FF Annotated Mild COc1cccc(OC)c1C(=O)/N=C1\N[C@@]2(CCCCO2)CCS1 ZINC000169316246 FF Annotated Mild COc1cccc(OC)c1C(=O)/N=C1\N[C@]2(CCCCO2)CCS1 ZINC000169316249 FF Annotated Mild CC(=O)C1=C(O)/C(=C(\C)Nc2ccc(Br)cc2)C(=O)OC1=O ZINC000169316273 FF Annotated Reactive CCN(CC)CCC(=O)N[C@H]1C(=O)CC[C@@]2(C)c3cc(C)ccc3O[C@@H]12 ZINC000169316355 FF Annotated Anodyne O=c1c2ccccc2nc(CSC2=NCCN2)n1-c1ccccc1F ZINC000169316425 FF Annotated Anodyne O=C(O)c1cc(=O)c2c3c(ccc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1-3 ZINC000169319957 FF Annotated Anodyne O=C(O)c1cc(=O)c2c(Cl)c3c(cc2[nH]1)-c1ccccc1S3(=O)=O ZINC000169319968 FF Annotated Anodyne O=C(O)c1cc(=O)c2cc3c(c(Cl)c2[nH]1)-c1ccccc1S3(=O)=O ZINC000169319969 FF Annotated Anodyne O=c1n(-c2ccc3c(c2)OCO3)c2ncccc2n1C(F)(F)[C@@H](F)Cl ZINC000169320901 FF Annotated Reactive O=c1n(-c2ccc3c(c2)OCO3)c2ncccc2n1C(F)(F)[C@H](F)Cl ZINC000169320902 FF Annotated Reactive CSC[C@@H](O)COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 ZINC000169321942 FF Annotated Bother CSC[C@H](O)COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 ZINC000169321944 FF Annotated Bother O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(F)cc1)[C@@H]([N+](=O)[O-])[C@@H]1CCCN12 ZINC000169322057 FF Annotated Bother O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(F)cc1)[C@H]([N+](=O)[O-])[C@@H]1CCCN12 ZINC000169322059 FF Annotated Bother COc1ccc(Cc2nccc3ccccc23)c(NC(=O)CN)c1OC ZINC000169323666 FF Annotated Anodyne Cc1ccc2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)CCCCN(C)C)[C@@H]1O2 ZINC000169323924 FF Annotated Anodyne Cc1ccc2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)CCCCCN(C)C)[C@@H]1O2 ZINC000169323926 FF Annotated Anodyne O=C1/C(=C/c2ccccc2)Oc2ccccc2N1CCN1CCOCC1 ZINC000169324463 FF Annotated Anodyne Nc1ncnc2c1C(=O)N(c1ccc(-c3ncccc3Cl)cc1)CCO2 ZINC000169324846 FF Annotated Anodyne Nc1ncnc2c1C(=O)N(c1ccc(-c3ccccc3F)cc1)CCO2 ZINC000169324850 FF Annotated Anodyne Cc1[nH]n(C)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169324907 FF Annotated Clean O=C(O)c1cccc(-c2cn(-c3ccc4cc(C(=O)O)n(O)c4c3)nn2)c1 ZINC000169325242 FF Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/Nc1nncc(-c2ccccc2)n1 ZINC000169325487 FF Annotated Mild O=C(O[C@@H]1C=C[C@@H](n2ccc(=O)[nH]c2=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000169327495 FF Annotated Anodyne O=C(O[C@H]1C=C[C@@H](n2ccc(=O)[nH]c2=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000169327496 FF Annotated Anodyne O=C(O[C@@H]1C=C[C@H](n2ccc(=O)[nH]c2=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000169327498 FF Annotated Anodyne O=C(O[C@H]1C=C[C@H](n2ccc(=O)[nH]c2=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000169327499 FF Annotated Anodyne N#C/N=C(/NCCCNc1ccccn1)NCCSc1ccccc1 ZINC000169327594 FF Annotated Mild CCOC(=O)C[C@@H]1SC2=NCCCN2[C@@]1(O)c1ccc(Cl)cc1 ZINC000169328068 FF Annotated Anodyne CCOC(=O)C[C@H]1SC2=NCCCN2[C@@]1(O)c1ccc(Cl)cc1 ZINC000169328069 FF Annotated Anodyne CCOC(=O)C[C@@H]1SC2=NCCCN2[C@]1(O)c1ccc(Cl)cc1 ZINC000169328070 FF Annotated Anodyne CCOC(=O)C[C@H]1SC2=NCCCN2[C@]1(O)c1ccc(Cl)cc1 ZINC000169328072 FF Annotated Anodyne Cc1[nH]n(C)c(=O)c1/C(=N/C(=O)C(Cl)Cl)c1cccc(Cl)c1 ZINC000169328127 FF Annotated Reactive CCc1ccccc1OC(=O)c1ccc2c(c1)S(=O)(=O)NCN2CC ZINC000169328566 FF Annotated Anodyne CCCc1ccccc1OC(=O)c1ccc2c(c1)S(=O)(=O)NCN2CC ZINC000169328569 FF Annotated Anodyne COc1cc(OC)c2c(NCCCN(C)C)c3c(C)nn(C)c3nc2c1 ZINC000169328570 FF Annotated Anodyne CCCc1ccc(OC(=O)c2ccc3c(c2)S(=O)(=O)NCN3CC)cc1 ZINC000169328572 FF Annotated Anodyne O=c1nc(C(F)(F)F)ccn1C[C@@H]1CN1Cc1cnc2ccccc2c1 ZINC000169328802 FF Annotated Anodyne O=c1nc(C(F)(F)F)ccn1C[C@H]1CN1Cc1cnc2ccccc2c1 ZINC000169328804 FF Annotated Anodyne CCOC(=O)/C=C1/C(=O)N(C(=O)OC)c2ccc(Br)cc21 ZINC000169328901 FF Annotated Anodyne CCOC(=O)/C=C1/C(=O)N(C(=O)OCC)c2ccc(Br)cc21 ZINC000169328909 FF Annotated Anodyne COC(=O)c1ccc2c(NCCCN(C)C)c3c(C)nn(C)c3nc2c1 ZINC000169329118 FF Annotated Anodyne CC1(CN2CCc3nc(OCc4cccc(F)c4)ccc3C2=O)COC1 ZINC000169329931 FF Annotated Anodyne O=[N+]([O-])c1cc(CSc2nnnn2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000169331303 FF Annotated Bother Cc1cc(C)cc(NC2=C(NS(C)(=O)=O)C(=O)c3ccccc3C2=O)c1 ZINC000169333515 FF Annotated Mild NC(=O)c1cc([C@@H](O)C[C@@H]2CCCCN2)c2cccc(C(F)(F)F)c2n1 ZINC000169334893 FF Annotated Anodyne NC(=O)c1cc([C@H](O)C[C@@H]2CCCCN2)c2cccc(C(F)(F)F)c2n1 ZINC000169334895 FF Annotated Anodyne NC(=O)c1cc([C@@H](O)C[C@H]2CCCCN2)c2cccc(C(F)(F)F)c2n1 ZINC000169334897 FF Annotated Anodyne NC(=O)c1cc([C@H](O)C[C@H]2CCCCN2)c2cccc(C(F)(F)F)c2n1 ZINC000169334898 FF Annotated Anodyne CN(C)CCn1c(=O)ccc2c(C(F)(F)F)cc(C(F)(F)F)nc21 ZINC000169335965 FF Annotated Anodyne Cc1nn(C)c2[nH]c(=O)c(CNCc3cccc(C(F)(F)F)c3)cc12 ZINC000169336052 FF Annotated Anodyne C=C1C[C@@H]2OC(=O)C3=CCC[C@H]4[C@]15C[C@H](c1ccoc1)O[C@H]5OC(=O)[C@]324 ZINC000169336345 FF Annotated Mild CC(=O)C1=C(O)/C(=C(\O)Nc2c(Cl)cccc2Cl)C(=O)OC1=O ZINC000169336587 FF Annotated Reactive CCN(CC)CC(=O)Nc1ccc([C@@H]2NC(=O)Cc3ccccc32)cc1 ZINC000169338236 FF Annotated Anodyne CCN(CC)CC(=O)Nc1ccc([C@H]2NC(=O)Cc3ccccc32)cc1 ZINC000169338238 FF Annotated Anodyne O=C1c2[nH]ncc2[C@@H]2CCC[C@@H]1N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000169339676 FF Annotated Anodyne O=C1c2[nH]ncc2[C@H]2CCC[C@@H]1N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000169339679 FF Annotated Anodyne COc1ccccc1S(=O)(=O)N[C@@H](C)COc1cccc2ncccc12 ZINC000169340991 FF Annotated Anodyne C[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1ccccc1C#N ZINC000169340993 FF Annotated Mild C=CCCC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1ccc(-n2ccnc2)cc1 ZINC000169341104 FF Annotated Mild CN1CCN(C)/C(=N/c2ccc(C#N)cc2C(=O)Nc2cccc(F)c2)C1 ZINC000169341199 FF Annotated Mild CC(=O)N1C[C@@H](CO)[C@@H](N(C)C(=O)C2CCCCC2)C[C@H]1c1ccccc1 ZINC000169341867 FF Annotated Anodyne Nc1ncnc2ccc(-c3cc(F)cc(NCCN4CCCC4)c3)nc12 ZINC000169341887 FF Annotated Anodyne COc1ccc(-c2nc(-c3ccnc(N)n3)sc2C(N)=O)c(Cl)c1 ZINC000169342591 FF Annotated Anodyne COc1ccccc1-c1cc(Nc2cccc(NS(N)(=O)=O)c2)ncn1 ZINC000169342824 FF Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H]([N+](=O)[O-])[C@H]3O ZINC000169342967 FF Annotated Bother CC(=O)Nc1ccc2c(NCCCN(C)C)c3c(C)nn(C)c3nc2c1 ZINC000169344802 FF Annotated Anodyne CCCN(CCC)S(=O)(=O)/N=C(/Nc1cccnc1)NC(C)(C)CC ZINC000169344967 FF Annotated Mild CCOC[C@@H]1COc2cc3c(=O)c(C(=O)OCC)c[nH]c3c(Cl)c2O1 ZINC000169345482 FF Annotated Anodyne CCOC[C@H]1COc2cc3c(=O)c(C(=O)OCC)c[nH]c3c(Cl)c2O1 ZINC000169345484 FF Annotated Anodyne CCOC[C@@H]1COc2c(cc3[nH]cc(C(=O)OCC)c(=N)c3c2Cl)O1 ZINC000169345490 FF Annotated Anodyne CCOC[C@H]1COc2c(cc3[nH]cc(C(=O)OCC)c(=N)c3c2Cl)O1 ZINC000169345492 FF Annotated Anodyne CCOC[C@@H]1COc2cc3[nH]cc(C(=O)OCC)c(=O)c3c(Cl)c2O1 ZINC000169345494 FF Annotated Anodyne CCOC[C@H]1COc2cc3[nH]cc(C(=O)OCC)c(=O)c3c(Cl)c2O1 ZINC000169345496 FF Annotated Anodyne COc1ccccc1-c1cc(Nc2cccc(P(=O)(O)O)c2)ncn1 ZINC000169346831 FF Annotated Anodyne COc1ccccc1-c1cc(Nc2ccc(P(=O)(O)O)cc2)ncn1 ZINC000169346836 FF Annotated Anodyne Cc1cc(N/N=C/c2ccc([N+](=O)[O-])o2)n2ncc(Br)c2n1 ZINC000169347803 FF Annotated Mild C/C1=C/[C@]2(O)OC[C@@]3(C)O[C@@]23CC[C@](C)(O)/C=C\C[C@@]2(C)O[C@H]2CC1 ZINC000169348024 FF Annotated Anodyne C/C1=C\[C@]2(O)OC[C@@]3(C)O[C@@]23CC[C@](C)(O)/C=C\C[C@@]2(C)O[C@H]2CC1 ZINC000169348026 FF Annotated Anodyne C/C1=C/[C@]2(O)OC[C@@]3(C)O[C@@]23CC[C@](C)(O)/C=C/C[C@@]2(C)O[C@H]2CC1 ZINC000169348028 FF Annotated Anodyne C=CCOC(=O)N1CCCCc2c(c(=O)oc3c(C=O)c(O)ccc23)C1 ZINC000169348339 FF Annotated Mild O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1cccc2ncccc12 ZINC000169349255 FF Annotated Bother C[C@@H](CN(C)C)NC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12 ZINC000169349317 FF Annotated Bother C[C@H](CN(C)C)NC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12 ZINC000169349318 FF Annotated Bother C[C@@H](CNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12)N(C)C ZINC000169349319 FF Annotated Bother C[C@H](CNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12)N(C)C ZINC000169349320 FF Annotated Bother CC(=O)OCCN1c2c(ssc2=O)Sc2ssc(=O)c21 ZINC000169349394 FF Annotated Anodyne C[C@H]1COC2(CCC(C(=O)Nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)O1 ZINC000169350166 FF Annotated Bother COc1ccc(-n2cnc(C#N)c2/N=C/c2cc(O)c(O)c(O)c2)cc1 ZINC000169350310 FF Annotated Mild COc1ccc(-n2cnc(C#N)c2/N=C/c2ccc(O)c(O)c2O)cc1 ZINC000169350311 FF Annotated Mild COc1ccc(-n2cnc(C#N)c2/N=C/c2c(O)cc(O)cc2O)cc1 ZINC000169350312 FF Annotated Mild CC1=CC(=O)c2c(ccc3c2O[C@H](CI)C3)C1=O ZINC000169350644 FF Annotated Reactive CC1=CC(=O)c2c(ccc3c2O[C@@H](CI)C3)C1=O ZINC000169350645 FF Annotated Reactive CCCCNC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 ZINC000169351117 FF Annotated Anodyne CCCCNC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 ZINC000169351119 FF Annotated Anodyne Cc1cnc2c(C(=O)NCC(F)F)cn(Cc3ncc(C)nc3C)c2c1 ZINC000169351312 FF Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)c1ccco1 ZINC000169351541 FF Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)c1ccco1 ZINC000169351542 FF Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)c1ccccn1 ZINC000169351543 FF Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)c1ccccn1 ZINC000169351544 FF Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)c1ccncc1 ZINC000169351550 FF Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)c1ccncc1 ZINC000169351552 FF Annotated Anodyne C=C1CCC[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H](CO)C/C=C\[C@@H](O)C1)O2 ZINC000169351984 FF Annotated Mild C=C1CCC[C@@H]2CC=C[C@@H](C/C=C/C(=O)O[C@H](CO)C/C=C\[C@@H](O)C1)O2 ZINC000169351986 FF Annotated Mild C=C1CCC[C@@H]2CC=C[C@@H](C/C=C/C(=O)O[C@H](CO)C/C=C/[C@@H](O)C1)O2 ZINC000169351987 FF Annotated Mild O=c1[nH][nH]c2nc3nc(-c4cccs4)cc(-c4ccccc4)c3c(=O)n12 ZINC000169352768 FF Annotated Anodyne Nc1n[nH]c2nc3nc(-c4cccs4)cc(-c4ccccc4)c3c(=O)n12 ZINC000169352770 FF Annotated Anodyne CCN1CCN(C(=O)c2sc3c([nH]c(=O)c4ccccc43)c2C)CC1 ZINC000169352956 FF Annotated Anodyne Cc1nc(=O)c2c([nH]1)C[C@H]1CC[C@@H](C2)N1Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000169353434 FF Annotated Anodyne CC(C)CCO[C@@H]1C=CC(=O)[C@@H](Cn2cc(-c3ccc(F)cc3)nn2)O1 ZINC000169353710 FF Annotated Mild COc1cccc([C@@H]2Oc3ccc(Br)cc3[C@H](O)[C@@H]2O)c1 ZINC000169355600 FF Annotated Anodyne COc1cccc([C@H]2Oc3ccc(Br)cc3[C@H](O)[C@@H]2O)c1 ZINC000169355601 FF Annotated Anodyne COc1cc2c(c(OC)c1)[C@@H](/C=C\c1ccccc1)[C@@H]([C@@H](O)CO)OC2 ZINC000169355832 FF Annotated Anodyne COc1cc2c(c(OC)c1)[C@@H](/C=C/c1ccccc1)[C@@H]([C@@H](O)CO)OC2 ZINC000169355833 FF Annotated Anodyne COc1cc2c(c(OC)c1)[C@H](/C=C\c1ccccc1)[C@@H]([C@@H](O)CO)OC2 ZINC000169355834 FF Annotated Anodyne COc1cc2c(c(OC)c1)[C@H](/C=C/c1ccccc1)[C@@H]([C@@H](O)CO)OC2 ZINC000169355835 FF Annotated Anodyne C(CO[C@@H]1C[C@@H]2C[C@@H]1[C@H]1[C@H]2C[C@H]2O[C@H]21)O[C@@H]1C[C@@H]2C[C@@H]1[C@H]1[C@H]2C[C@H]2O[C@H]21 ZINC000169356187 FF Annotated Anodyne C(CO[C@@H]1C[C@@H]2C[C@@H]1[C@H]1[C@H]2C[C@H]2O[C@H]21)O[C@H]1C[C@@H]2C[C@@H]1[C@H]1[C@H]2C[C@H]2O[C@H]21 ZINC000169356188 FF Annotated Anodyne C(CO[C@@H]1C[C@H]2C[C@@H]1[C@H]1[C@H]2C[C@H]2O[C@H]21)O[C@@H]1C[C@@H]2C[C@@H]1[C@H]1[C@H]2C[C@H]2O[C@H]21 ZINC000169356189 FF Annotated Anodyne C(CO[C@@H]1C[C@@H]2C[C@@H]1[C@H]1[C@H]2C[C@H]2O[C@H]21)O[C@H]1C[C@H]2C[C@@H]1[C@H]1[C@H]2C[C@H]2O[C@H]21 ZINC000169356190 FF Annotated Anodyne CCS(=O)(=O)[C@@H]1C[C@@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000169361291 FF Annotated Anodyne CCS(=O)(=O)[C@H]1C[C@@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000169361293 FF Annotated Anodyne NC(=O)[C@]12CCCC[C@@H](CC1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000169365297 FF Annotated Anodyne Cc1ccc(S(=O)(=O)[C@H]2C(=O)N[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 ZINC000169365687 FF Annotated Anodyne CC(=O)N1CCN(C[C@@H]2C(=O)O[C@@H]3/C=C(/C)CC/C=C(\C)CC[C@H]32)CC1 ZINC000169367876 FF Annotated Anodyne CC(=O)N1CCN(C[C@@H]2C(=O)O[C@@H]3/C=C(\C)CC/C=C(/C)CC[C@H]32)CC1 ZINC000169367877 FF Annotated Anodyne CC(=O)N1CCN(C[C@@H]2C(=O)O[C@@H]3/C=C(/C)CC/C=C(/C)CC[C@H]32)CC1 ZINC000169367878 FF Annotated Anodyne C[C@]1(COC2=CC(OC[C@]3(C)CO3)=C[C@@H]3Oc4ccccc4C(=O)[C@H]23)CO1 ZINC000169368870 FF Annotated Anodyne C[C@]1(COC2=C[C@@H]3Oc4ccccc4C(=O)[C@@H]3C(OC[C@@]3(C)CO3)=C2)CO1 ZINC000169368871 FF Annotated Anodyne C[C@]1(COC2=CC(OC[C@]3(C)CO3)=C[C@H]3Oc4ccccc4C(=O)[C@H]23)CO1 ZINC000169368872 FF Annotated Anodyne C[C@]1(COC2=C[C@H]3Oc4ccccc4C(=O)[C@@H]3C(OC[C@@]3(C)CO3)=C2)CO1 ZINC000169368873 FF Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@H]1CC[C@](C)(O)[C@H](O)CC/C(C)=C\CC[C@@]2(C)O ZINC000169370641 FF Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@]1(C(=O)Nc3ccccc31)N1CCC[C@@H]21 ZINC000169498441 FF Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@@]1(C(=O)Nc3ccccc31)N1CCC[C@@H]21 ZINC000169498448 FF Annotated Mild COc1ccc2c(c1)N[C@@]1(CCNC=O)C2=NCCc2c1[nH]c1ccccc21 ZINC000169503039 FF Annotated Anodyne COc1c2cc(c(O)c1OC)CCCC[C@H](O)[C@@H](O)Cc1ccc(O)c-2c1 ZINC000169516168 FF Annotated Anodyne COc1c2cc(c(O)c1OC)CCCC[C@@H](O)[C@@H](O)Cc1ccc(O)c-2c1 ZINC000169516207 FF Annotated Anodyne C/C(=C/C=C(/O)C(=O)O)C(=O)CC[C@@H]1C(=O)CC[C@]2(C)[C@@H](O)CC[C@@H]12 ZINC000169637766 FF Annotated Mild C[C@]12C[C@H](c3ccoc3)OC(=O)[C@]13CC[C@@]14COC(=O)[C@@H]1C=C[C@@H](O3)[C@H]42 ZINC000169640800 FF Annotated Anodyne CC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@@H](C)[C@](O)(c4ccccc4)[C@H](C[C@@]1(C)O)[N+]32C ZINC000169643254 FF Annotated Bother CO[C@H]1C(=O)C2=C3O[C@H](O)C4=C3[C@@](C)(CC[C@@H]4O)CC[C@]2(C)[C@H]1C(C)C ZINC000169657266 FF Annotated Mild CO[C@H]1C(=O)C2=C3OC(=O)C4=C3[C@@](C)(CC[C@@H]4O)CC[C@]2(C)[C@H]1C(C)C ZINC000169657267 FF Annotated Mild CO[C@@H]1C[C@@]2(CC[C@]3(C)[C@@H]2CC[C@@]24C[C@@H](CC[C@H]23)[C@@](O)(CO)C4)C(=O)O1 ZINC000169661189 FF Annotated Anodyne C/C=C1\CN2C(=O)[C@@]3(c4ccc(OC)cc4NOC)C[C@@H]2[C@@H]2CO[C@H]3C[C@H]12 ZINC000169664488 FF Annotated Anodyne CCN1C[C@]2(C)CC[C@H](OC)[C@]34[C@H]1[C@H](C[C@H]23)[C@@]12C[C@H](OC)[C@H]3C[C@]14[C@@H]2C3=O ZINC000169668598 FF Annotated Anodyne COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4C(C)=CC(=O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000169671665 FF Annotated Mild C[C@@H]1CN2C[C@H]3CCC(=O)C4=C5C(=C(O)[C@@H]1C[C@@H]2[C@]53C)C1=C4CCOC1=O ZINC000169673726 FF Annotated Mild C[C@@H]1C[C@H]2OC(=O)[C@H]3CCC[C@H]([C@@]14C[C@@H](c1ccoc1)OC4=O)[C@]32CO ZINC000169673903 FF Annotated Anodyne C[C@H]1CC[C@@]2(C)[C@@H](C[C@H](O)[C@H](O)[C@@]2(C)O)[C@]1(C)CC[C@@H](C)CC(=O)O ZINC000169675831 FF Annotated Anodyne Cc1onc([C@@H]2CC[C@@H](F)CN2)c1COc1ccc(C(=O)NC2CC2)cn1 ZINC000169685428 FF Annotated Anodyne Cc1onc([C@H]2CC[C@@H](F)CN2)c1COc1ccc(C(=O)NC2CC2)cn1 ZINC000169685429 FF Annotated Anodyne Cc1onc([C@@H]2CC[C@H](F)CN2)c1COc1ccc(C(=O)NC2CC2)cn1 ZINC000169685430 FF Annotated Anodyne Cc1onc([C@H]2CC[C@H](F)CN2)c1COc1ccc(C(=O)NC2CC2)cn1 ZINC000169685431 FF Annotated Anodyne CC(C)NC(=O)c1ccc(OCc2conc2[C@@H]2CC[C@@H](F)CN2)nc1 ZINC000169685445 FF Annotated Anodyne CC(C)NC(=O)c1ccc(OCc2conc2[C@H]2CC[C@@H](F)CN2)nc1 ZINC000169685446 FF Annotated Anodyne CC(C)NC(=O)c1ccc(OCc2conc2[C@@H]2CC[C@H](F)CN2)nc1 ZINC000169685447 FF Annotated Anodyne CC(C)NC(=O)c1ccc(OCc2conc2[C@H]2CC[C@H](F)CN2)nc1 ZINC000169685448 FF Annotated Anodyne COC(=O)[C@@H]1C(=N)Oc2cc(C)n(C)c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000169687144 FF Annotated Anodyne COC(=O)[C@H]1C(=N)Oc2cc(C)n(C)c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000169687145 FF Annotated Anodyne O=C1C(=O)N(CCc2ccccc2)[C@H](c2cccnc2)[C@@H]1C(=O)c1ccco1 ZINC000169687166 FF Annotated Anodyne O=C1C(=O)N(CCc2ccccc2)[C@H](c2cccnc2)[C@H]1C(=O)c1ccco1 ZINC000169687167 FF Annotated Anodyne O=C1C(=O)N(CCc2ccccc2)[C@@H](c2cccnc2)[C@@H]1C(=O)c1ccco1 ZINC000169687168 FF Annotated Anodyne O=C1C(=O)N(CCc2ccccc2)[C@@H](c2cccnc2)[C@H]1C(=O)c1ccco1 ZINC000169687169 FF Annotated Anodyne O=C1C(=O)N(Cc2ccccc2)[C@H](c2cccnc2)[C@@H]1C(=O)c1ccco1 ZINC000169687210 FF Annotated Anodyne O=C1C(=O)N(Cc2ccccc2)[C@H](c2cccnc2)[C@H]1C(=O)c1ccco1 ZINC000169687211 FF Annotated Anodyne O=C1C(=O)N(Cc2ccccc2)[C@@H](c2cccnc2)[C@@H]1C(=O)c1ccco1 ZINC000169687212 FF Annotated Anodyne O=C1C(=O)N(Cc2ccccc2)[C@@H](c2cccnc2)[C@H]1C(=O)c1ccco1 ZINC000169687213 FF Annotated Anodyne O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccncc2)[C@@H]1C(=O)c1ccco1 ZINC000169687214 FF Annotated Anodyne O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccncc2)[C@H]1C(=O)c1ccco1 ZINC000169687215 FF Annotated Anodyne O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccncc2)[C@@H]1C(=O)c1ccco1 ZINC000169687216 FF Annotated Anodyne O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccncc2)[C@H]1C(=O)c1ccco1 ZINC000169687217 FF Annotated Anodyne COc1ccc(NC(=O)[C@H]2C(=O)N[C@@]3(C)C[C@H]2c2ccccc2O3)cc1 ZINC000169687306 FF Annotated Anodyne CCCCS(=O)(=O)C(c1nc2ccccc2[nH]1)S(=O)(=O)CCCC ZINC000169687375 FF Annotated Anodyne COCCn1c(C)cc2c(c1=O)[C@@H](c1ccccc1F)[C@@H](C#N)C(=N)O2 ZINC000169687377 FF Annotated Mild COCCn1c(C)cc2c(c1=O)[C@H](c1ccccc1F)[C@@H](C#N)C(=N)O2 ZINC000169687378 FF Annotated Mild CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccncc2)[C@@H]2C(=O)CCCC2=N1 ZINC000169687415 FF Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccncc2)[C@@H]2C(=O)CCCC2=N1 ZINC000169687416 FF Annotated Anodyne COc1cc([C@@H]2c3ccc(N)cc3OC(=N)[C@@H]2C#N)cc(OC)c1OC ZINC000169687439 FF Annotated Mild COc1cc([C@H]2c3ccc(N)cc3OC(=N)[C@@H]2C#N)cc(OC)c1OC ZINC000169687440 FF Annotated Mild CCCCc1[nH]nc2c1[C@]1(C(=O)N(CC)c3ccccc31)[C@@H](C#N)C(=N)O2 ZINC000169687766 FF Annotated Mild CCCCc1[nH]nc2c1[C@@]1(C(=O)N(CC)c3ccccc31)[C@@H](C#N)C(=N)O2 ZINC000169687767 FF Annotated Mild COc1ccc(OC)c(C/N=N/c2cc(C)nc(N3CCOCC3)n2)c1 ZINC000169688147 FF Annotated Clean CCCOc1cc[c-](/C=N/NC(=S)Nc2ccccc2[N+](=O)[O-])c(=O)c1 ZINC000169688177 FF Annotated Mild Cc1ccc(-n2[nH]c(C)c(/C=N/n3c(C)nc4ccccc4c3=O)c2=O)cc1 ZINC000169688344 FF Annotated Mild COc1cc([C@@H]2C3=C(CCCC3=O)OC(=N)[C-]2C#N)c([N+](=O)[O-])cc1OC ZINC000169688536 FF Annotated Mild COc1cc([C@H]2C3=C(CCCC3=O)OC(=N)[C-]2C#N)c([N+](=O)[O-])cc1OC ZINC000169688537 FF Annotated Mild COc1ccc[c-](/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1=O ZINC000169688712 FF Annotated Reactive COc1ccc([C@@H]2C3=C(CCCC3=O)OC(=N)[C@@H]2C#N)c(OC)c1OC ZINC000169688747 FF Annotated Mild COc1ccc([C@H]2C3=C(CCCC3=O)OC(=N)[C@@H]2C#N)c(OC)c1OC ZINC000169688748 FF Annotated Mild C=c1c(C(=O)OC)c(O)/c(=C\c2cccs2)n1-c1ccc(Cl)cc1 ZINC000169688856 FF Annotated Anodyne C=c1c(C(=O)OC)c(O)/c(=C/c2cccs2)n1-c1ccc(Cl)cc1 ZINC000169688857 FF Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1/N=C\c1ccc(N3CCCCC3)o1)[C@H]1C=C[C@H]2C12CC2 ZINC000169689191 FF Annotated Mild O=C1[C@H]2[C@H](C(=O)N1/N=C\c1ccc(N3CCCCC3)o1)[C@H]1C=C[C@H]2C12CC2 ZINC000169689194 FF Annotated Mild CCOC(=O)[C@@]1(C)C/C(=N\c2ccc(O)cc2)C(=O)N1c1ccc(O)cc1 ZINC000169689207 FF Annotated Mild CCOC(=O)[C@]1(C)C/C(=N\c2ccc(O)cc2)C(=O)N1c1ccc(O)cc1 ZINC000169689208 FF Annotated Mild CCOC(=O)C(/C=N/c1ccc(Oc2cccnc2)nc1)C(=O)OCC ZINC000169689343 FF Annotated Mild CC1=Nc2nc(-c3ccccc3Cl)nn2[C@@H](c2ccccn2)[C@@H]1C(N)=O ZINC000169689365 FF Annotated Anodyne CC1=Nc2nc(-c3ccccc3Cl)nn2[C@H](c2ccccn2)[C@@H]1C(N)=O ZINC000169689366 FF Annotated Anodyne Cc1cccc(N(CC(N)=O)c2sc(=O)n(-c3ccccc3)c2O)c1 ZINC000169689666 FF Annotated Anodyne Cc1ccc(Cn2ccc(NC(=O)[C@@H]3[C@@H]4CC[C@H](C4)[C@H]3C(=O)O)n2)cc1 ZINC000169689695 FF Annotated Anodyne Cc1ccc(Cn2ccc(NC(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]3C(=O)O)n2)cc1 ZINC000169689696 FF Annotated Anodyne CCc1[nH]nc2c1C1(CCN(C(=O)c3ccccc3)CC1)[C@@H](C#N)C(=N)O2 ZINC000169691053 FF Annotated Mild CCc1[nH]nc2c1C1(CCN(C(=O)c3ccccc3)CC1)[C@H](C#N)C(=N)O2 ZINC000169691054 FF Annotated Mild CC(C)(C)C(=O)NC[C@]12C=C[C@H](O1)c1c2c(O)n(-c2ccccc2)c1O ZINC000169691165 FF Annotated Anodyne CC(C)(C)C(=O)NC[C@]12C=C[C@@H](O1)c1c2c(O)n(-c2ccccc2)c1O ZINC000169691166 FF Annotated Anodyne CC(C)(C)C(=O)NC[C@@]12C=C[C@H](O1)c1c2c(O)n(-c2ccccc2)c1O ZINC000169691167 FF Annotated Anodyne CC(C)(C)C(=O)NC[C@@]12C=C[C@@H](O1)c1c2c(O)n(-c2ccccc2)c1O ZINC000169691168 FF Annotated Anodyne COc1cccc([C@H]2C(=[N+]([O-])O)C(=N)Oc3c2c(=O)oc2ccccc32)c1 ZINC000169691183 FF Annotated Mild COc1cccc([C@@H]2C(=[N+]([O-])O)C(=N)Oc3c2c(=O)oc2ccccc32)c1 ZINC000169691184 FF Annotated Mild CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H]4CC(=O)[C@@H](c5ccccc54)[C@H]3C2=O)cc1 ZINC000169691198 FF Annotated Anodyne O=c1[nH]c(=O)n(-c2ccccc2F)c(O)c1/C=N/CCC1=CCCCC1 ZINC000169691232 FF Annotated Mild COC1=CC=C[C@@H](c2c(C#N)c(N)nc3c2c(C)nn3-c2ccccc2)C1=O ZINC000169691284 FF Annotated Mild COC1=CC=C[C@H](c2c(C#N)c(N)nc3c2c(C)nn3-c2ccccc2)C1=O ZINC000169691285 FF Annotated Mild COc1ccc(/N=C2/C(=O)N(c3ccccc3)C(=O)[C@@H]2Cl)c(OC)c1 ZINC000169691354 FF Annotated Reactive COc1ccc(/N=C2/C(=O)N(c3ccccc3)C(=O)[C@H]2Cl)c(OC)c1 ZINC000169691355 FF Annotated Reactive Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@H](c1ccco1)[C@@H](C#N)C(=N)O2 ZINC000169691486 FF Annotated Mild Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@H](c1ccco1)[C@@H](C#N)C(=N)O2 ZINC000169691487 FF Annotated Mild O=C(O)CCCCCCc1c(O)[nH]c(=O)n1CC[C@@H](O)C1CCCCC1 ZINC000169692539 FF Annotated Anodyne O=C(O)CCCCCCc1c(O)[nH]c(=O)n1CC[C@H](O)C1CCCCC1 ZINC000169692540 FF Annotated Anodyne CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2ccc(C)o2)[C@@H](C#N)C(=N)O1 ZINC000169693081 FF Annotated Mild CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2ccc(C)o2)[C@@H](C#N)C(=N)O1 ZINC000169693082 FF Annotated Mild COc1ccccc1N1CC=[N+](N[CH-]c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000169693184 FF Annotated Bother O=c1c2cc(Br)cc3[nH][nH]c(cn1[C@H]1CN4CCC1CC4)c32 ZINC000169694241 FF Annotated Anodyne O=C1C(=O)c2ccccc2C(=O)/C1=C/c1c(O)c(O)c2ccccc2c1O ZINC000169697279 FF Annotated Mild O=Cc1c(O)ccc2cc(-c3cccc(C(=O)N4CCOCC4)n3)ccc12 ZINC000169699712 FF Annotated Anodyne CCc1ncnc(N2CCc3ccccc3C2)c1C#Cc1ccc(N)nc1 ZINC000169699827 FF Annotated Mild Cc1c(F)cncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2c[n+]1[O-] ZINC000169700121 FF Annotated Anodyne Cc1c(F)cncc1-c1cc2cnc(NC(=O)[C@H]3C[C@@H]3F)cc2c[n+]1[O-] ZINC000169700122 FF Annotated Anodyne Cc1c(F)cncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@H]3F)cc2c[n+]1[O-] ZINC000169700123 FF Annotated Anodyne Cc1c(F)cncc1-c1cc2cnc(NC(=O)[C@H]3C[C@H]3F)cc2c[n+]1[O-] ZINC000169700124 FF Annotated Anodyne NC1=N[C@@H](CCc2ccc(Nc3cc(C(F)(F)F)ncn3)cc2)CO1 ZINC000169701160 FF Annotated Anodyne NC1=N[C@@H](CCc2ccc(Nc3nccc(C(F)(F)F)n3)cc2)CO1 ZINC000169701178 FF Annotated Anodyne NC1=N[C@@H](CCc2ccc(Nc3ncc(Br)cn3)cc2)CO1 ZINC000169701186 FF Annotated Anodyne NC1=N[C@@H](CCc2ccc(Nc3ncc(C(F)(F)F)cn3)cc2)CO1 ZINC000169701190 FF Annotated Anodyne CO[C@@H]1C[C@@]2(CC[C@H]1O)CCN(c1ccc(OC(F)(F)F)cc1)C2=O ZINC000169702038 FF Annotated Anodyne CC(C)[C@H](CO)Nc1nc(Nc2cc(C(C)(C)C)n(C)n2)c2c[nH]nc2n1 ZINC000169702566 FF Annotated Anodyne COc1ccc2c(c1)Cn1cc(CCc3nc4c(C)ncc(C)n4n3)nc1-2 ZINC000169704379 FF Annotated Anodyne COc1ccc2c(c1)-c1nc(CCc3nc4c(C)ncc(C)n4n3)cn1C2 ZINC000169704384 FF Annotated Anodyne COc1cccc2c1Cn1cc(CCc3nc4c(C)ncc(C)n4n3)nc1-2 ZINC000169704385 FF Annotated Anodyne COc1cccc2c1-c1nc(CCc3nc4c(C)ncc(C)n4n3)cn1C2 ZINC000169704386 FF Annotated Anodyne NC(=O)Nc1cccc(-c2cnc3cc(-c4ncc(F)c(N)n4)ccn23)c1 ZINC000169704635 FF Annotated Anodyne COc1cc(CN2CCC(N=O)CC2)cc2[nH]c(=O)c3c(c12)NCCC3 ZINC000169705876 FF Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cc(C)c3c(c2)oc(=O)n3C)cc1 ZINC000169706198 FF Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cc(C)c3c(c2)oc(=O)n3C)cc1 ZINC000169706199 FF Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccn(CC(C)C)c(=O)c2)cc1 ZINC000169706200 FF Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccn(CC(C)C)c(=O)c2)cc1 ZINC000169706201 FF Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(N(C)C(C)C)n2)cc1 ZINC000169706351 FF Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(N(C)C(C)C)n2)cc1 ZINC000169706352 FF Annotated Mild CCCOc1ncc(C#Cc2ccc(C[C@@H](C)NC(=O)OC)cc2)cn1 ZINC000169706389 FF Annotated Mild CCCOc1ncc(C#Cc2ccc(C[C@H](C)NC(=O)OC)cc2)cn1 ZINC000169706390 FF Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc(OCC(C)(F)F)nc2)cc1 ZINC000169706413 FF Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(OCC(C)(F)F)nc2)cc1 ZINC000169706414 FF Annotated Mild CC(C)Nc1ncc(C#Cc2ccc(C[C@@H](C)NC(=O)N(C)C)cc2)cn1 ZINC000169706429 FF Annotated Mild CC(C)Nc1ncc(C#Cc2ccc(C[C@H](C)NC(=O)N(C)C)cc2)cn1 ZINC000169706430 FF Annotated Mild COC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc(NC3CC3)nc2)cc1 ZINC000169706449 FF Annotated Mild COC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(NC3CC3)nc2)cc1 ZINC000169706450 FF Annotated Mild COC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc(NC(C)C)nc2)cc1 ZINC000169706451 FF Annotated Mild COC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(NC(C)C)nc2)cc1 ZINC000169706452 FF Annotated Mild CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2CCC)c1 ZINC000169706946 FF Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2CCC)c1 ZINC000169706947 FF Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(C3CCCCC3)n(-c3ccccc3)n2)CN1 ZINC000169706981 FF Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(C3CCCCC3)n(-c3ccccc3)n2)CN1 ZINC000169706982 FF Annotated Anodyne O=C1C[C@@H](C(=O)Nc2cc(C3=CCCCC3)n(-c3ccccc3)n2)CN1 ZINC000169706989 FF Annotated Anodyne Cc1ccccc1-c1cc(NC(=O)[C@H]2CNC(=O)C2)nn1-c1ccccc1 ZINC000169706998 FF Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3ccccc3)c2)c2cncnc21 ZINC000169707730 FF Annotated Anodyne Cc1cccc(NC(=O)c2cc(N3CCc4nc(N)ncc4C3)ccn2)c1 ZINC000169710061 FF Annotated Anodyne O=C1N=Nc2nc(CN3CCN(c4ccncc4)CC3)nc3cccc1c23 ZINC000169710165 FF Annotated Anodyne Cc1ccc(S(=O)(=O)NCc2nc3c4c(cccc4n2)C(=O)N=N3)cc1 ZINC000169710189 FF Annotated Anodyne O=C(NCc1nc2c3c(cccc3n1)C(=O)N=N2)c1ccc([N+](=O)[O-])cc1 ZINC000169710191 FF Annotated Bother CCS(=O)(=O)NC[C@@H]1CC[C@@H](Nc2nc(C3(F)CCCC3)no2)CC1 ZINC000169710810 FF Annotated Anodyne C[C@@H](NC(=O)n1sc2ncccc2c1=O)c1ccc2c(c1)OCCO2 ZINC000169711325 FF Annotated Anodyne C[C@H](NC(=O)n1sc2ncccc2c1=O)c1ccc2c(c1)OCCO2 ZINC000169711326 FF Annotated Anodyne NC1=N[C@@]2(c3ccccc3F)CO[C@@H](COc3ccccn3)C[C@H]2CS1 ZINC000169711623 FF Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4noc(C(C)C)c4C3)ncnn12 ZINC000169711661 FF Annotated Anodyne Cc1nc(CC(C)C)c2c(N3CCc4nc(C5CC5)ncc4C3)ncnn12 ZINC000169711687 FF Annotated Anodyne Cc1nc([C@H]2CCCO2)c2c(N3CCc4noc(C5CC5)c4C3)ncnn12 ZINC000169711711 FF Annotated Anodyne Cc1nc2c(s1)CN(c1ncnn3c(C)nc([C@H]4CCCO4)c13)CC2 ZINC000169711713 FF Annotated Anodyne O=c1c([N+](=O)[O-])cc2c(O)cc(-c3ccc([N+](=O)[O-])cc3)oc-2c1[N+](=O)[O-] ZINC000169714020 FF Annotated Bother CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@@H]1c1ccc(O)c(OC)c1 ZINC000169714746 FF Annotated Anodyne CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@@H]1c1ccc(O)c(OC)c1 ZINC000169714747 FF Annotated Anodyne CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@H]1c1ccc(O)c(OC)c1 ZINC000169714748 FF Annotated Anodyne CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@H]1c1ccc(O)c(OC)c1 ZINC000169714749 FF Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccc(S(N)(=O)=O)cc1 ZINC000169715196 FF Annotated Clean Cc1c(/N=C/CCN2CCN(CCCN)CC2)c(O)c2ccccc2c1O ZINC000169716720 FF Annotated Mild Cc1ccccc1Cc1cccc2c(C3C(=O)C(=O)CC(=O)C3=O)c[nH]c12 ZINC000169717686 FF Annotated Clean O=C1CC(=O)C(=O)C(c2c[nH]c3c(OCc4ccccc4)cccc23)C1=O ZINC000169717691 FF Annotated Clean C[C@@H]1CS[C@H](c2nc(O)c(-c3ccccc3)[nH]c2=S)N[C@@H]1C(=O)O ZINC000169718078 FF Annotated Anodyne C[C@H]1CS[C@H](c2nc(O)c(-c3ccccc3)[nH]c2=S)N[C@@H]1C(=O)O ZINC000169718079 FF Annotated Anodyne C[C@@H]1CS[C@H](c2nc(O)c(-c3ccccc3)[nH]c2=S)N[C@H]1C(=O)O ZINC000169718080 FF Annotated Anodyne C[C@H]1CS[C@H](c2nc(O)c(-c3ccccc3)[nH]c2=S)N[C@H]1C(=O)O ZINC000169718081 FF Annotated Anodyne CN(CCCn1c(O)c2n(c1=O)Cc1ccccc1C2)Cc1ccccc1 ZINC000169718911 FF Annotated Anodyne C=Cc1c(C)c(O)c2cc3c(c(O)c2c1O)C(=O)[C@@](C)(O)C(=O)C3(C)C ZINC000169720412 FF Annotated Anodyne C=Cc1c(C)c(O)c2cc3c(c(O)c2c1O)C(=O)[C@](C)(O)C(=O)C3(C)C ZINC000169720413 FF Annotated Anodyne C=CCC/C=C/C(=O)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 ZINC000169721731 FF Annotated Mild CC/C=C/C(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 ZINC000169721736 FF Annotated Anodyne C=CCCC(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 ZINC000169721737 FF Annotated Mild C/C=C/CC(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1 ZINC000169721741 FF Annotated Anodyne O=Nc1c([C@@H]2C(=O)Nc3ccc(S(=O)(=O)O)cc32)[nH]c2ccccc12 ZINC000169723261 FF Annotated Anodyne O=Nc1c([C@H]2C(=O)Nc3ccc(S(=O)(=O)O)cc32)[nH]c2ccccc12 ZINC000169723262 FF Annotated Anodyne CCCCCCCCCCO[C@H]1C[C@@H](COC(C)=O)C(=O)C(=O)[C@H]1O ZINC000169725943 FF Annotated Mild CCCCCCCCCCO[C@H]1C[C@H](COC(C)=O)C(=O)C(=O)[C@H]1O ZINC000169725944 FF Annotated Mild COc1cccc([C@@H]2NC(=S)N=C3c4ccccc4C(=O)[C@@H]32)c1OC ZINC000169726069 FF Annotated Anodyne COc1cccc([C@H]2NC(=S)N=C3c4ccccc4C(=O)[C@@H]32)c1OC ZINC000169726070 FF Annotated Anodyne COc1cccc([C@@H]2NC(=S)N=C3c4ccccc4C(=O)[C@H]32)c1OC ZINC000169726071 FF Annotated Anodyne COc1cccc([C@H]2NC(=S)N=C3c4ccccc4C(=O)[C@H]32)c1OC ZINC000169726072 FF Annotated Anodyne COc1ccc(OC)c([C@@H]2NC(=S)N=C3c4ccccc4C(=O)[C@@H]32)c1 ZINC000169726073 FF Annotated Anodyne COc1ccc(OC)c([C@H]2NC(=S)N=C3c4ccccc4C(=O)[C@@H]32)c1 ZINC000169726074 FF Annotated Anodyne COc1ccc(OC)c([C@@H]2NC(=S)N=C3c4ccccc4C(=O)[C@H]32)c1 ZINC000169726075 FF Annotated Anodyne COc1ccc(OC)c([C@H]2NC(=S)N=C3c4ccccc4C(=O)[C@H]32)c1 ZINC000169726076 FF Annotated Anodyne Cc1cc(Cl)cc2c1NC(=O)[C@@H]2/C=N/c1ccc(S(N)(=O)=O)cc1 ZINC000169727073 FF Annotated Mild Cc1cc(Cl)cc2c1NC(=O)[C@H]2/C=N/c1ccc(S(N)(=O)=O)cc1 ZINC000169727074 FF Annotated Mild C=c1[nH]n(-c2ccccc2)c(=O)/c1=C1\C=C(C)N(c2ccc(C)cc2)C(=O)O1 ZINC000169727393 FF Annotated Anodyne C[C@@H]1C[C@@H](c2ccccc2)n2nc(-n3c(O)c4c(c3O)CC=CC4)nc2N1 ZINC000169727705 FF Annotated Anodyne C[C@H]1C[C@@H](c2ccccc2)n2nc(-n3c(O)c4c(c3O)CC=CC4)nc2N1 ZINC000169727706 FF Annotated Anodyne C[C@@H]1C[C@H](c2ccccc2)n2nc(-n3c(O)c4c(c3O)CC=CC4)nc2N1 ZINC000169727707 FF Annotated Anodyne C[C@H]1C[C@H](c2ccccc2)n2nc(-n3c(O)c4c(c3O)CC=CC4)nc2N1 ZINC000169727708 FF Annotated Anodyne COc1ccc(C[C@@H](N=O)C(=O)NCCSC)cc1Br ZINC000169727942 FF Annotated Anodyne COc1ccc(C[C@H](N=O)C(=O)NCCSC)cc1Br ZINC000169727943 FF Annotated Anodyne N#C[C@@H]1C(=N)OC2=C(C(=O)CN(C(=O)c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000169728020 FF Annotated Mild N#C[C@H]1C(=N)OC2=C(C(=O)CN(C(=O)c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000169728021 FF Annotated Mild CCCn1c2nc(-c3ccc(Br)cc3)nc-2c2n(c1=O)CCN2 ZINC000169728240 FF Annotated Anodyne Cc1cc(=O)n2[nH]c(SCc3ccc(Br)cc3)nc2n1 ZINC000169728250 FF Annotated Anodyne COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc2c1NON2 ZINC000169729108 FF Annotated Anodyne COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc2c1NON2 ZINC000169729109 FF Annotated Anodyne COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc2c1NON2 ZINC000169729110 FF Annotated Anodyne COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc2c1NON2 ZINC000169729111 FF Annotated Anodyne COc1ccc(COC(=O)[C@@H]2C(C)=NC(=O)N[C@@H]2c2ccco2)cc1OC ZINC000169729707 FF Annotated Anodyne COc1ccc(COC(=O)[C@H]2C(C)=NC(=O)N[C@@H]2c2ccco2)cc1OC ZINC000169729708 FF Annotated Anodyne COc1ccc(COC(=O)[C@@H]2C(C)=NC(=O)N[C@H]2c2ccco2)cc1OC ZINC000169729709 FF Annotated Anodyne COc1ccc(COC(=O)[C@H]2C(C)=NC(=O)N[C@H]2c2ccco2)cc1OC ZINC000169729710 FF Annotated Anodyne O=C1CCCC2=NC(=S)N[C@@H](c3cc(O)ccc3Br)[C@@H]12 ZINC000169729725 FF Annotated Anodyne O=C1CCCC2=NC(=S)N[C@@H](c3cc(O)ccc3Br)[C@H]12 ZINC000169729726 FF Annotated Anodyne NC(=O)c1ccc(NC2=NNC(=C3C=CC(=O)C=C3)c3ccccc32)cc1 ZINC000017123471 FF Annotated Mild Cc1ccc(C=NNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000017127248 FF Annotated Anodyne COc1cccc2cc(C(N)=O)/c(=N/c3cccc(/C=C/C(=O)O)c3)oc12 ZINC000017130763 FF Annotated Anodyne CC(=O)[C@H]1[C@@H](c2ccc(N(C)C)cc2)c2cc3c(cc2O[C@]1(C)O)OCO3 ZINC000017176656 FF Annotated Anodyne CC(=O)[C@H]1[C@H](c2ccc(N(C)C)cc2)c2cc3c(cc2O[C@]1(C)O)OCO3 ZINC000017176657 FF Annotated Anodyne C[C@H]1C[C@H](O)[C@H]([C@@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)[C@H](C)C1 ZINC000017188094 FF Annotated Anodyne C[C@@H]1C[C@H](O)[C@H]([C@@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)[C@H](C)C1 ZINC000017188096 FF Annotated Anodyne C[C@H]1C[C@@H](C)C[C@H](O)[C@@H]1[C@@H](O)CC1CC(=O)N(c2ccccc2)C(=O)C1 ZINC000017188098 FF Annotated Anodyne C[C@H]1C[C@H](C)[C@@H]([C@@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)[C@@H](O)C1 ZINC000017188100 FF Annotated Anodyne C[C@H]1CC(=O)[C@H]([C@@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)[C@H](C)C1 ZINC000017188125 FF Annotated Anodyne C[C@@H]1CC(=O)[C@H]([C@@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)[C@H](C)C1 ZINC000017188128 FF Annotated Anodyne C[C@H]1C[C@@H](C)CC(=O)[C@@H]1[C@@H](O)CC1CC(=O)N(c2ccccc2)C(=O)C1 ZINC000017188131 FF Annotated Anodyne C[C@@H]1CC(=O)[C@H]([C@@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)[C@@H](C)C1 ZINC000017188133 FF Annotated Anodyne CC1CCN(C(=O)CCC(=O)Nc2nnc(C(F)(F)F)s2)CC1 ZINC000017209112 FF Annotated Anodyne c1ccc(COC2(OCc3ccccc3)C[C@H]3O[C@@H]2[C@@H]2NN=N[C@@H]32)cc1 ZINC000017210251 FF Annotated Anodyne c1ccc(COC2(OCc3ccccc3)C[C@@H]3O[C@H]2[C@@H]2NN=N[C@@H]32)cc1 ZINC000017210254 FF Annotated Anodyne Cc1nn(C(=O)c2ccncc2)c2c1[C@@H](c1ccccc1O)SC(N)=N2 ZINC000017222149 FF Annotated Anodyne C[C@H]1[C@@H](c2ccccc2O)c2cc3c(cc2O[C@H]1N1CCOCC1)OCO3 ZINC000017252821 FF Annotated Anodyne COc1ccc(/N=N\c2c(N)nn3c(SC)c(C#N)c(N)nc23)cc1 ZINC000017257358 FF Annotated Mild Cc1ccnc(NC(=S)NC(=O)c2cncc(Br)c2)c1 ZINC000017440361 FF Annotated Anodyne C[C@@H](NC(=O)c1ccccc1C(c1ccccc1)c1ccccc1)B(O)O ZINC000170139074 FF Annotated Reactive CCOC(=O)[C@@](O)(c1ccc(/N=c2\ccccn2C)cc1)C(F)(F)F ZINC000017722752 FF Annotated Anodyne CC(=O)c1c(O)n(O)c2cc(NC(=O)c3cnc4ccccc4n3)ccc12 ZINC000017860445 FF Annotated Anodyne CC1(C)C(=O)C(C)(C)C12SC[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000017885277 FF Annotated Anodyne CC(C)c1nnc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)s1 ZINC000017917244 FF Annotated Anodyne C/C(=N\NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1nc2ncccc2[nH]1 ZINC000017921115 FF Annotated Mild CCOC(=O)[C@](O)(c1ccc(/N=c2\ccccn2C)cc1)C(F)(F)F ZINC000017921294 FF Annotated Anodyne CC[C@]1(C)Cc2c(sc3nc(SCC(=O)OC)nc(O)c23)CO1 ZINC000017971738 FF Annotated Anodyne CC(=O)Nc1ccc(C(=O)N2N=C(C)/C(=C/c3cccc(O)c3)C2=O)cc1 ZINC000018008323 FF Annotated Clean COc1ccc2c3c([nH]c2c1)C(C)(C)C=CN1C(=O)[C@@H](C)NC(=O)C1=C3 ZINC000018061423 FF Annotated Anodyne COc1ccccc1C1=C(C(F)(F)F)NN/C1=C1\C=CC(=O)C=C1O ZINC000018120289 FF Annotated Mild COc1ccc(C2=C(C(F)(F)F)NN/C2=C2\C=CC(=O)C=C2O)cc1 ZINC000018166941 FF Annotated Mild Cc1ncc2c(c1-c1noc(-c3ccc(CN4CCCC4)o3)n1)CCNC2 ZINC000019113131 FF Annotated Anodyne Cc1cccn2cc(Cn3ncc(N4CCc5ccccc5C4)cc3=O)nc12 ZINC000019147265 FF Annotated Anodyne CC1(C)CC(=O)N(CC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)C1 ZINC000019148902 FF Annotated Anodyne CC1(C)CC(=O)N(CC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)C1 ZINC000019148905 FF Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)N4CCCN4[C@@]3(C)C2=O)cc1 ZINC000019172033 FF Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4)N4CCCN4[C@@]3(C)C2=O)cc1 ZINC000019172037 FF Annotated Anodyne CSCC(=O)N1CCC2(CC1)c1ccccc1[C@@H](N1CC=CCC1)[C@@H]2O ZINC000019221630 FF Annotated Anodyne COCc1cc(CNC2CCN(c3ccc(-n4cccn4)cc3)CC2)n[nH]1 ZINC000019223466 FF Annotated Anodyne O=c1cc(N2CCCCC2)cnn1Cc1cnn(-c2ccccc2F)c1 ZINC000019229146 FF Annotated Anodyne CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccsc3)CC2)[C@H]1O ZINC000019229347 FF Annotated Anodyne CC(C)[C@H](c1nnnn1Cc1ccco1)N1CCN(C2CCCC2)CC1 ZINC000019367042 FF Annotated Anodyne CC(C)[C@@H](c1nnnn1Cc1ccco1)N1CCN(C2CCCC2)CC1 ZINC000019367043 FF Annotated Anodyne O=C1CCOC[C@]2(CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)N1 ZINC000019372637 FF Annotated Anodyne CC(C)[C@H](c1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000019445959 FF Annotated Anodyne CC(C)[C@@H](c1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000019445961 FF Annotated Anodyne CO[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)O[C@@H](C)/C1=C/CN1CCNCC1 ZINC000194851301 FF Annotated Reactive CC[C@H](c1nnnn1Cc1cccs1)N1CCN(C2CCCC2)CC1 ZINC000019500693 FF Annotated Anodyne CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(C2CCCC2)CC1 ZINC000019500694 FF Annotated Anodyne CC(C)c1ccc(N[C@@H]2CCCN(C(=O)CCN3CCN(C)CC3)C2)cc1 ZINC000019732466 FF Annotated Anodyne CC(C)c1ccc(N[C@H]2CCCN(C(=O)CCN3CCN(C)CC3)C2)cc1 ZINC000019732468 FF Annotated Anodyne CCN1CCN(C(=O)CCC2CCN(C(=O)C3=CCCCC3)CC2)CC1 ZINC000019789591 FF Annotated Anodyne Cc1n[nH]c(C)c1C(=O)N1CCC[C@@H](Cn2cc(C3CCCC3)nn2)C1 ZINC000019792326 FF Annotated Anodyne Cc1n[nH]c(C)c1C(=O)N1CCC[C@H](Cn2cc(C3CCCC3)nn2)C1 ZINC000019792327 FF Annotated Anodyne CC(=O)Nc1ccc(CN2CCN(C3CCCCC3)[C@@H](CCO)C2)cc1 ZINC000019794496 FF Annotated Anodyne Cc1cccc(CN2CCC[C@@](O)(CN3CCc4ccccc4C3)C2=O)c1 ZINC000019795044 FF Annotated Anodyne Cc1cccc(CN2CCC[C@](O)(CN3CCc4ccccc4C3)C2=O)c1 ZINC000019795045 FF Annotated Anodyne COc1ccccc1CN1C(=O)O[C@@H]2CN(C3Cc4ccccc4C3)C[C@@H]21 ZINC000019835843 FF Annotated Anodyne Cc1ncc2c(c1-c1noc(-c3cccc(-n4cccn4)c3)n1)CCNC2 ZINC000019840345 FF Annotated Anodyne NC(=O)c1ccc([C@@H]2CCCN2C(=O)c2nc3ccccn3c2F)s1 ZINC000019852885 FF Annotated Anodyne NC(=O)c1ccc([C@H]2CCCN2C(=O)c2nc3ccccn3c2F)s1 ZINC000019852887 FF Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](Cn2cc(CO)nn2)C1 ZINC000019867007 FF Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](Cn2cc(CO)nn2)C1 ZINC000019867011 FF Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(C(C)(C)CN3CCN(C)CC3)[nH]c12 ZINC000019885597 FF Annotated Anodyne Fc1cc(F)cc(-c2cn(CC3CCN(C[C@H]4CCCN4)CC3)nn2)c1 ZINC000019939635 FF Annotated Anodyne Cc1ncc2c(c1-c1noc(-c3cccnc3)n1)CCN(c1ncccn1)C2 ZINC000019940122 FF Annotated Anodyne Cc1cc(CN2CCc3[nH]nc([C@@H]4COc5ccccc5O4)c3C2)n(C)n1 ZINC000019957071 FF Annotated Anodyne Cc1cc(CN2CCc3[nH]nc([C@H]4COc5ccccc5O4)c3C2)n(C)n1 ZINC000019957076 FF Annotated Anodyne Cc1ncc2c(c1-c1noc(-c3cnn(Cc4ccccc4)c3)n1)CCNC2 ZINC000019957529 FF Annotated Anodyne CC(=O)OCC[S@](=O)C[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 ZINC000195127218 FF Annotated Anodyne C/C=C1/CN2[C@H]3C[C@H]1[C@](CO)(C(=O)OC)[C@@H]2Cc1c3n(C)c2ccccc12 ZINC000195211096 FF Annotated Anodyne Cc1ccccc1B(OC(=O)c1ncccc1O)c1cccc(Cl)c1 ZINC000195227042 FF Annotated Anodyne CC(C)(C)[Si](OCc1ccc(=O)[nH]n1)(c1ccccc1)c1ccccc1 ZINC000195295968 FF Annotated Reactive C[N+](C)([BH2-]C#N)CCCCCCCCCCCCCC[N+](C)(C)[BH2-]C#N ZINC000195335795 FF Annotated Bother Cc1cc(C)cc(OC(=O)CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)c1 ZINC000195338163 FF Annotated Anodyne COc1ccc([C@H]2c3ccc(O)cc3O[C@@H]3NC(=S)NC(=S)[C@H]32)cc1 ZINC000195381769 FF Annotated Anodyne COc1ccc([C@@H]2c3ccc(O)cc3O[C@@H]3NC(=S)NC(=S)[C@H]32)cc1 ZINC000195381775 FF Annotated Anodyne COc1ccc([C@H]2c3ccccc3O[C@@H]3NC(=S)NC(=S)[C@H]32)cc1 ZINC000195382756 FF Annotated Anodyne COc1ccc([C@@H]2c3ccccc3O[C@@H]3NC(=S)NC(=S)[C@H]32)cc1 ZINC000195382760 FF Annotated Anodyne COc1ccc([C@H]2c3ccc4cccnc4c3O[C@H]3N=CNC(=O)[C@@H]23)cc1 ZINC000195391152 FF Annotated Anodyne COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@H]3N=CNC(=O)[C@H]32)cc1 ZINC000195391160 FF Annotated Anodyne COc1ccc([C@H]2c3ccc4cccnc4c3O[C@@H]3NC(=O)N=C(N)[C@H]32)cc1 ZINC000195392745 FF Annotated Anodyne COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@@H]3NC(=O)N=C(N)[C@H]32)cc1 ZINC000195392751 FF Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1CCO ZINC000195393149 FF Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1CCO ZINC000195393157 FF Annotated Anodyne Cc1cccc(OC(=O)CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)c1C ZINC000195403800 FF Annotated Anodyne Cc1cccc(C)c1OC(=O)CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21 ZINC000195404202 FF Annotated Anodyne COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)NCc2ccco2)cc1 ZINC000195411043 FF Annotated Anodyne CC1=C(/C=C/S(=O)(=O)O)C(C)=[N+]2C1=Cc1c(C)cc(C)n1[B-]2(F)F ZINC000195411333 FF Annotated Anodyne O=C(NCc1ccccn1)[C@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000195414143 FF Annotated Anodyne O=C(NCc1ccccn1)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000195414152 FF Annotated Anodyne CC(=O)OC/C=C/[C@H](O)[C@H](/C=C/COC(C)=O)O[Si](C)(C)C(C)(C)C ZINC000195419394 FF Annotated Reactive CCCCNC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 ZINC000195420299 FF Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@@H]13)O2 ZINC000195453192 FF Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@@H]13)O2 ZINC000195453198 FF Annotated Anodyne COc1cc2c(c(OC)c1)[C@H](/C=C\c1ccccc1)[C@H]([C@@H](O)CO)OC2 ZINC000195477569 FF Annotated Anodyne COc1cc2c(c(OC)c1)[C@H](/C=C/c1ccccc1)[C@H]([C@@H](O)CO)OC2 ZINC000195477575 FF Annotated Anodyne C[C@@H](O[Si](C)(C)C)[C@@H]1C=C[C@@H](C)n2c(=O)n(-c3ccccc3)c(=O)n21 ZINC000195493322 FF Annotated Reactive C[C@H](O[Si](C)(C)C)[C@@H]1C=C[C@@H](C)n2c(=O)n(-c3ccccc3)c(=O)n21 ZINC000195493326 FF Annotated Reactive C[C@@H](O[Si](C)(C)C)[C@H]1C=C[C@@H](C)n2c(=O)n(-c3ccccc3)c(=O)n21 ZINC000195493329 FF Annotated Reactive C[C@H](O[Si](C)(C)C)[C@H]1C=C[C@@H](C)n2c(=O)n(-c3ccccc3)c(=O)n21 ZINC000195493333 FF Annotated Reactive COc1cc(Br)cc2c1O[C@H]1C(=O)C[C@@H]3C[C@@]21CCN3C ZINC000195497178 FF Annotated Anodyne CC[C@@H]1CSC(/C=C/[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]23)=N1 ZINC000195501452 FF Annotated Anodyne CC[C@@H]1CSC(/C=C/[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]23)=N1 ZINC000195501455 FF Annotated Anodyne O=C1N[C@@H]2[C@@H]3CC(OCc4ccccc4)(OCc4ccccc4)[C@@H]2O[C@@H]3O1 ZINC000195513675 FF Annotated Anodyne O=C1N[C@H]2[C@@H]3CC(OCc4ccccc4)(OCc4ccccc4)[C@@H]2O[C@@H]3O1 ZINC000195513676 FF Annotated Anodyne O=C1N[C@@H]2[C@H]3CC(OCc4ccccc4)(OCc4ccccc4)[C@@H]2O[C@@H]3O1 ZINC000195513678 FF Annotated Anodyne O=C1N[C@H]2[C@H]3CC(OCc4ccccc4)(OCc4ccccc4)[C@@H]2O[C@@H]3O1 ZINC000195513680 FF Annotated Anodyne c1ccc(COC2(OCc3ccccc3)C[C@H]3O[C@H]2[C@@H]2NN=N[C@@H]32)cc1 ZINC000195515945 FF Annotated Anodyne C[C@H]1C[C@H](C)CC[C@H]1Oc1nc(N)c2c(=O)ccn([C@H]3CCC[C@@H]3O)c2n1 ZINC000195520051 FF Annotated Anodyne C[C@H]1CC[C@@H](Oc2nc(N)c3c(=O)ccn([C@H]4CCC[C@@H]4O)c3n2)[C@@H](C)C1 ZINC000195520052 FF Annotated Anodyne C[C@H]1C[C@H](C)CC[C@@H]1Oc1nc(N)c2c(=O)ccn([C@H]3CCC[C@@H]3O)c2n1 ZINC000195520054 FF Annotated Anodyne C[C@H]1CC[C@H](Oc2nc(N)c3c(=O)ccn([C@H]4CCC[C@@H]4O)c3n2)[C@@H](C)C1 ZINC000195520056 FF Annotated Anodyne CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OCCC/N=C(\N)CSS(=O)(=O)O)C2 ZINC000195520763 FF Annotated Reactive C[Si](C)(C)CCOCn1c(Sc2cccc(N)c2)cc(=O)[nH]c1=O ZINC000195523720 FF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H]1C[C@H]2[C@H](C(C)=O)COC[C@H]2[C@H](C3)N1C ZINC000195978941 FF Annotated Anodyne O=C1C=CC2(C=C1)OC(=O)C(I)=C2c1ccccc1 ZINC000196294858 FF Annotated Mild C/C=C1/CN2CC[C@@]34c5cc(OC)ccc5N(C)[C@@]23CC[C@@H]1[C@@H]4C(=O)OC ZINC000197880285 FF Annotated Clean COC(=O)[C@@]1(C)[C@H]2CC[C@@]34C[C@H]5[C@@H](C[C@H]3[C@]2(C)CC[C@H]1O)[C@@]5(C(=O)O)C4 ZINC000197921321 FF Annotated Anodyne COC[C@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CCCC(C)(C)[C@H]1CO)COC3=O ZINC000198043461 FF Annotated Anodyne CC1=C(CC[C@@]23COC(=O)C2=CCC[C@H]3O)C(=O)O[C@H](c2ccoc2)C1 ZINC000198449852 FF Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](C)NC(=O)C1=CC(C)(C)N([O])C1(C)C ZINC000198861284 FF Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cn[nH]c3C2)CS[C@@H]1c1cc(F)cc(F)c1F ZINC000199085209 FF Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cn[nH]c3C2)CS[C@H]1c1cc(F)cc(F)c1F ZINC000199085262 FF Annotated Anodyne Cc1nc(NC(=O)C(C)(C)C)sc1C(=O)Cn1cc(CCCC#N)nn1 ZINC000199204954 FF Annotated Mild O=C(NC1CCCCC1)[C@H]1c2ccccc2OCC(=O)N1CC(F)(F)F ZINC000199207407 FF Annotated Anodyne O=C(NC1CCCCC1)[C@@H]1c2ccccc2OCC(=O)N1CC(F)(F)F ZINC000199207423 FF Annotated Anodyne O=C(NC1CCCC1)[C@H]1c2ccccc2OCC(=O)N1CC(F)(F)F ZINC000199207621 FF Annotated Anodyne O=C(NC1CCCC1)[C@@H]1c2ccccc2OCC(=O)N1CC(F)(F)F ZINC000199207635 FF Annotated Anodyne COC(=O)[C@@]1(Sc2ccc(OC)cc2)CC(=O)N[C@@H]1c1ccccc1 ZINC000199210799 FF Annotated Anodyne C[C@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1Cc1cccs1 ZINC000199213914 FF Annotated Anodyne C[C@@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1Cc1cccs1 ZINC000199213928 FF Annotated Anodyne C[C@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000199214043 FF Annotated Anodyne C[C@@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000199214053 FF Annotated Anodyne CCCCn1nnnc1[C@]1(C)CCC(=O)N1Cc1cc(OC)ccc1OC ZINC000199214175 FF Annotated Anodyne CCCCn1nnnc1[C@@]1(C)CCC(=O)N1Cc1cc(OC)ccc1OC ZINC000199214190 FF Annotated Anodyne CC(C)n1nnnc1[C@@H]1c2ccccc2C(=O)N1CCc1ccc(O)cc1 ZINC000199225287 FF Annotated Anodyne CC(C)n1nnnc1[C@H]1c2ccccc2C(=O)N1CCc1ccc(O)cc1 ZINC000199225303 FF Annotated Anodyne C=CCOC(=O)Nc1nc(CCNC(=O)OC(C)(C)C)c(C(=O)O)s1 ZINC000199229666 FF Annotated Mild COc1ccc(-n2nnnc2[C@@]2(C)CCC(=O)N2Cc2ccccc2)cc1 ZINC000199242781 FF Annotated Anodyne COc1ccc(-n2nnnc2[C@]2(C)CCC(=O)N2Cc2ccccc2)cc1 ZINC000199242796 FF Annotated Anodyne CC(C)CNC(=O)[C@@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCCC1 ZINC000199248542 FF Annotated Anodyne CC(C)CNC(=O)[C@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCCC1 ZINC000199248557 FF Annotated Anodyne COc1ccc(Cc2[nH]c(=O)c(O)c3cc(OC)c(OC)cc23)cc1OC ZINC000199345044 FF Annotated Anodyne CC1(C)OC[C@H](CNC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)O1 ZINC000199391025 FF Annotated Anodyne CC1(C)OC[C@@H](CNC(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)O1 ZINC000199391041 FF Annotated Anodyne O=C(NC[C@@H](O)c1nc2ccccc2[nH]1)c1ccc(Br)cc1 ZINC000199392469 FF Annotated Anodyne O=C(NC[C@H](O)c1nc2ccccc2[nH]1)c1ccc(Br)cc1 ZINC000199392488 FF Annotated Anodyne C[C@@H](c1nc2ccccc2[nH]1)N(C(=O)C1=NNC(=O)CC1)c1ccccc1 ZINC000199395946 FF Annotated Anodyne C[C@H](c1nc2ccccc2[nH]1)N(C(=O)C1=NNC(=O)CC1)c1ccccc1 ZINC000199395965 FF Annotated Anodyne O=C(c1ccc(Br)cn1)N1CCC(Oc2cccnc2)CC1 ZINC000199407012 FF Annotated Anodyne COc1ccc(C[C@@H]2COc3c(C=O)c(O)c(C)c(OC)c3C2=O)cc1 ZINC000199432526 FF Annotated Anodyne CC(C)N1CCCC[C@H](NC(=O)c2ccc(Br)cc2)C1=O ZINC000199718884 FF Annotated Anodyne CC(C)N1CCCC[C@@H](NC(=O)c2ccc(Br)cc2)C1=O ZINC000199718903 FF Annotated Anodyne CC(C)=CC(=O)NCC1CCN(C(=O)C(=O)c2cc3ccccc3o2)CC1 ZINC000199719926 FF Annotated Anodyne CCNC(=O)OC[C@H]1O[C@H](C#Cc2ccc(C(C)(C)C)cc2)C=C[C@H]1O ZINC000199721025 FF Annotated Mild COC(=O)Cc1nnn2c1[C@H](C)[C@@H](OC)c1cc(Br)ccc1-2 ZINC000199723242 FF Annotated Anodyne Cc1cc2c(c(=O)o1)[C@@]1(C(=O)N(C)c3ccccc31)C1=C(CCCC1=O)O2 ZINC000199741423 FF Annotated Mild O=C(O)CCCC#C/C=C/[C@H](O)[C@H](O)CC/C=C/C=C\Br ZINC000199770859 FF Annotated Mild O=C(O)CCCC#C/C=C/[C@@H](O)[C@H](O)CC/C=C/C=C\Br ZINC000199770878 FF Annotated Mild C=C1C[C@@H](O)[C@@H]2O[C@@]2(C)CC[C@@H]2/C(=C\C=C\C(C)(C)OC)C(=O)OC[C@@H]12 ZINC000199867108 FF Annotated Mild CC(=O)[C@@H](C#N)C(=O)Nc1cc(Br)ccc1Br ZINC000002003139 FF Annotated Mild O=C1[C@H]2[C@H]3CC[C@H](C3NCc3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 ZINC000002150801 FF Annotated Anodyne O=C1NN(c2ccccc2)C(=O)/C1=C/c1coc2ccc(Cl)cc2c1=O ZINC000002206023 FF Annotated Clean COC(=O)CSc1nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o1 ZINC000002346912 FF Annotated Anodyne CCc1ccccc1N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)OCC(C)C)[C@@H]3C1=O ZINC000002407330 FF Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1CCO ZINC000002451131 FF Annotated Anodyne O=C1c2ccc(-c3ncc(-c4ccccc4)o3)cc2C(=O)N1c1ncn[nH]1 ZINC000002454815 FF Annotated Anodyne CCOc1ccc(S(=O)(=O)NCCCOC(C)C)c2cccnc12 ZINC000002455823 FF Annotated Anodyne Cn1c(=O)cc(SCC(=O)N=c2[nH]c3ccccc3[nH]2)c2ccccc21 ZINC000002456140 FF Annotated Anodyne O=C(CCCN1C(=O)c2cccnc2C1=O)Nc1ccc(F)cc1Cl ZINC000002457059 FF Annotated Anodyne O=C(CCS(=O)(=O)c1cccc2nonc12)Nc1ccc(Cl)cc1 ZINC000002457689 FF Annotated Anodyne O=C(CCS(=O)(=O)c1cccc2nsnc12)Nc1ccc(F)cc1 ZINC000002457730 FF Annotated Anodyne COc1cc2c(cc1O)CCN(C(=O)[C@H]1COc3ccccc3O1)[C@H]2C ZINC000002458861 FF Annotated Anodyne COc1cc2c(cc1O)CCN(C(=O)[C@H]1COc3ccccc3O1)[C@@H]2C ZINC000002458862 FF Annotated Anodyne COc1cc2c(cc1O)CCN(C(=O)[C@@H]1COc3ccccc3O1)[C@@H]2C ZINC000002458864 FF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NC3CC3)c(C)c2c1 ZINC000002459872 FF Annotated Anodyne COc1cc2c(C(=O)N3CCCC3)cn(CC(C)C)c(=O)c2cc1OC ZINC000002460389 FF Annotated Anodyne O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)NCCC1=CCCCC1 ZINC000002460803 FF Annotated Anodyne CCN(CCNC(=O)Cn1c(=O)sc2ccccc21)c1ccccc1 ZINC000002461530 FF Annotated Anodyne Cn1cc(S(=O)(=O)CC(=O)N2CCCc3ccccc32)c2ccccc21 ZINC000002461673 FF Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@](C)(c2cc(Cl)ccc2C(C)=O)S1 ZINC000002463967 FF Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2cc(Cl)ccc2C(C)=O)S1 ZINC000002463971 FF Annotated Anodyne CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NCCOc2ccccc2)cc1 ZINC000002466583 FF Annotated Anodyne CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NCCOc2ccccc2)cc1 ZINC000002466584 FF Annotated Anodyne CC(C)(C)C(=O)Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2sccc21 ZINC000002466718 FF Annotated Anodyne O=c1c2ccccc2n(Cc2ccccc2F)c(=O)n1Cc1ccco1 ZINC000002467763 FF Annotated Anodyne CSC1=Nc2oc3c(c2[C@H](n2ncc(C#N)c2N)N1)CC(C)(C)SC3 ZINC000002478711 FF Annotated Mild O=C(NCCOCCO)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 ZINC000002480218 FF Annotated Anodyne COc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCCO ZINC000002480337 FF Annotated Anodyne COc1ccccc1N1C(=O)[C@H](C(C)=O)[C@@H]2[C@H]1Nc1ccccc1N2C ZINC000002481609 FF Annotated Anodyne O=C(NCCOCCO)c1c(-c2ccccc2F)noc1-c1ccccc1 ZINC000002483084 FF Annotated Anodyne CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NCCO ZINC000002483914 FF Annotated Bother COCCCN(C(C)=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002487110 FF Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002487113 FF Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](NCCCOC)CC(C)(C)O2 ZINC000002487219 FF Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](NCCCOC)CC(C)(C)O2 ZINC000002487221 FF Annotated Anodyne CC(C)CCOC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000002487820 FF Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC(C)(C)O2 ZINC000002488099 FF Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC(C)(C)O2 ZINC000002488102 FF Annotated Anodyne Oc1ccccc1Oc1ncc(Br)c(N2CCOCC2)n1 ZINC000002488754 FF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCc1ccccc1N ZINC000002493013 FF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCC#N ZINC000002493043 FF Annotated Mild CCCN(CCC)C(=O)CCS(=O)(=O)c1cccc2nsnc12 ZINC000002496251 FF Annotated Anodyne O=C(CN1CCCCCC1)N1CCCc2c1c(=O)oc1ccc(O)cc21 ZINC000002497632 FF Annotated Anodyne CCCCN(CC)CC(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21 ZINC000002497648 FF Annotated Anodyne CC(C)c1nc2nc(N(C)[C@@H](C)[C@@H](O)c3ccccc3)ccc2[nH]c1=O ZINC000002499502 FF Annotated Anodyne CCCCCCN(C)c1ccc2[nH]c(=O)c(CCC(=O)OCC)nc2n1 ZINC000002499597 FF Annotated Anodyne CCCCCCN(CCO)c1ccc2[nH]c(=O)c(CCSC)nc2n1 ZINC000002499671 FF Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CCC[C@H]4CCCC[C@H]43)ccc2[nH]c1=O ZINC000002499999 FF Annotated Anodyne O=C(O)[C@@H](Cc1cc2ccccc2[nH]1)N1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O ZINC000020058156 FF Annotated Clean N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000020086790 FF Annotated Reactive CC[C@H](C)NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCCC[C@@H]12 ZINC000020105101 FF Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCCC[C@@H]12 ZINC000020105105 FF Annotated Anodyne Cc1cc(F)ccc1N1CCC(N2CCN(C(C)C)[C@@H](CCO)C2)CC1 ZINC000020109479 FF Annotated Anodyne Cc1ncc2c(c1-c1noc(-c3c(C)nc4sccn34)n1)CCNC2 ZINC000020109824 FF Annotated Anodyne CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(C(N)=O)s2)o1 ZINC000020110075 FF Annotated Mild CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(C(N)=O)s2)o1 ZINC000020110076 FF Annotated Mild Cc1occc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H](N(C)C)[C@@H]2O ZINC000020110104 FF Annotated Anodyne Cc1ncc2c(c1-c1noc(-c3ccccc3-n3cccn3)n1)CCNC2 ZINC000020119785 FF Annotated Anodyne O=C(CCc1cn[nH]c1)N1CCC(n2cc(-c3ccsc3)nn2)CC1 ZINC000020138226 FF Annotated Anodyne CCCC[C@H](c1nnnn1C(C)C)N1CCN(C(=O)c2ccco2)CC1 ZINC000020140374 FF Annotated Anodyne CCCC[C@@H](c1nnnn1C(C)C)N1CCN(C(=O)c2ccco2)CC1 ZINC000020140377 FF Annotated Anodyne CC(C)CN1CCN(Cc2ccc(Oc3ncccn3)cc2)C[C@@H]1CCO ZINC000020201202 FF Annotated Anodyne Cc1cccc(-n2ccnc2CN2CCN(C3CCCC3)[C@@H](CCO)C2)c1 ZINC000020201715 FF Annotated Anodyne Cn1ccnc1CN1CCc2n[nH]c(-c3ccc4c(c3)OC(F)(F)O4)c2C1 ZINC000020209008 FF Annotated Anodyne CC(C)CCN1CCN(Cc2nc3c(s2)CCCC3)C[C@@H]1CCO ZINC000020211423 FF Annotated Anodyne Cc1ccc(N[C@H]2c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000020213422 FF Annotated Anodyne Cc1ccc(N[C@@H]2c3ccccc3C(=O)N2CCN2CCOCC2)cc1 ZINC000020213426 FF Annotated Anodyne O=C1c2ccccc2[C@H](Nc2ccc(F)cc2F)N1CCN1CCOCC1 ZINC000020213450 FF Annotated Anodyne O=C1c2ccccc2[C@@H](Nc2ccc(F)cc2F)N1CCN1CCOCC1 ZINC000020213454 FF Annotated Anodyne O=C(c1ccc2ccccc2c1)N1CCC[C@@H](Cn2cc(CCO)nn2)C1 ZINC000020234421 FF Annotated Anodyne O=C(c1ccc2ccccc2c1)N1CCC[C@H](Cn2cc(CCO)nn2)C1 ZINC000020234426 FF Annotated Anodyne COc1ccc2c(c1)C=C(CN1CCN(C3CCCC3)[C@@H](CCO)C1)CO2 ZINC000020234791 FF Annotated Anodyne COc1nccnc1-c1cccc(-c2ccn(C[C@@H](O)C(F)(F)F)n2)c1 ZINC000020256381 FF Annotated Anodyne COc1nccnc1-c1cccc(-c2ccn(C[C@H](O)C(F)(F)F)n2)c1 ZINC000020256383 FF Annotated Anodyne CCn1c(=O)c2cc(C(=O)N3CCN(C)CC3)sc2c2ccccc21 ZINC000020286295 FF Annotated Anodyne CN(C)c1cnn(CC(=O)Nc2cccc3c4c(oc23)CCCC4)c(=O)c1 ZINC000020351069 FF Annotated Anodyne C[C@@H](NC(=O)c1ccccc1N(C)C(=O)c1cccs1)c1nc[nH]n1 ZINC000020363035 FF Annotated Anodyne C[C@H](NC(=O)c1ccccc1N(C)C(=O)c1cccs1)c1nc[nH]n1 ZINC000020363037 FF Annotated Anodyne Cc1nn([C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)c(=O)c2cc3occc3n12 ZINC000020416734 FF Annotated Anodyne Cc1nn([C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)c(=O)c2cc3occc3n12 ZINC000020416736 FF Annotated Anodyne OCC[C@H]1CN(Cc2nc3ccccc3[nH]2)CCN1Cc1ccsc1 ZINC000020448947 FF Annotated Anodyne CC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)nc1Nc1nncs1 ZINC000020463342 FF Annotated Anodyne CCOC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCC[C@@H](C)[C@@H]2C)cn1C ZINC000020467527 FF Annotated Anodyne Cc1nonc1CN(C)C(=O)c1cc(-c2cn[nH]c2)nc2cc(F)ccc12 ZINC000020481609 FF Annotated Anodyne O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1nc(-c2cccnc2)no1 ZINC000020489211 FF Annotated Anodyne COc1c(O)c2c(c(OC)c1OC)O[C@H](c1c(O)cccc1O)CC2=O ZINC000200014525 FF Annotated Anodyne CCOC(=O)c1ccc2c(c1)[n+](=O)c(C(=O)c1ccccc1)c(C)n2O ZINC000200047698 FF Annotated Anodyne C/C=C/[C@H]1[C@H]2C(=O)c3c(O)c(C)c(O)c(C)c3[C@]1(C(=O)O)C(=O)C=C2C ZINC000200336639 FF Annotated Mild COc1cc2c(cc1C(=O)N(C)C)[nH]c(=O)c1cnc(C3CCCCC3)n12 ZINC000201415090 FF Annotated Anodyne Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCc1ccc(O)cc1)CO2 ZINC000201466512 FF Annotated Anodyne C=CCN1C(=O)[C@H](CC(=O)N2CCCCC2)[C@@]2(C(=O)OCC)CCCC=C12 ZINC000201480389 FF Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)N2CCCCC2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000201480861 FF Annotated Mild CCOC(=O)[C@@]12CCC3=C1N(CCC3)C(=O)[C@H](CC(=O)N1CCCCC1)C2 ZINC000201482889 FF Annotated Anodyne CCOC(=O)[C@@]12CCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)N1CCCCC1 ZINC000201483408 FF Annotated Anodyne C/C=C/C(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3ccco3)ccc21 ZINC000201489696 FF Annotated Anodyne N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2cc(OCCCN)ccc12 ZINC000202393326 FF Annotated Mild COCCOc1ccc2c(c1)c(C#N)cn2-c1ccc(C(=O)O)c(O)c1 ZINC000202393455 FF Annotated Mild COCCOc1ccc2c(C#N)cn(-c3ccc(C(=O)O)c(O)c3)c2c1 ZINC000202394948 FF Annotated Mild N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2cc(OCCCO)ccc12 ZINC000202399990 FF Annotated Mild C[C@H]1C=C2C(=O)C=C3OCO[C@]34Oc3cc5c(cc3[C@@H]([C@@H]1C)[C@H]24)OCO5 ZINC000202794862 FF Annotated Mild C[C@]12C[C@H](c3ccoc3)OC(=O)[C@]13CC[C@@]14COC(=O)C1=CC[C@@H](O3)[C@H]42 ZINC000202800578 FF Annotated Anodyne NC(N)=NC(=O)N1CCc2c(F)ccc(-c3c(F)cc(F)cc3F)c2C1 ZINC000203431621 FF Annotated Mild C[C@]1(c2nnnn2-c2ccc3ccccc3c2)CSCC(=O)N1C1CC1 ZINC000203465408 FF Annotated Anodyne C[C@@]1(c2nnnn2-c2ccc3ccccc3c2)CSCC(=O)N1C1CC1 ZINC000203465412 FF Annotated Anodyne CCCCCn1nnnc1[C@]1(C)CCSCC(=O)N1Cc1ccco1 ZINC000203465791 FF Annotated Anodyne CCCCCn1nnnc1[C@@]1(C)CCSCC(=O)N1Cc1ccco1 ZINC000203465795 FF Annotated Anodyne C=CCN1C(=O)[C@H](CC(=O)NCCCC)[C@@]2(C(=O)OCC)CCCC=C12 ZINC000203466543 FF Annotated Mild CCCCNC(=O)C[C@@H]1C(=O)N2CCCC3=C2[C@@]1(C(=O)OC)CCCC3 ZINC000203469008 FF Annotated Anodyne COC(=O)[C@@]12CCCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)N1CCCCC1 ZINC000203469063 FF Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)NCCCC)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203469274 FF Annotated Mild COc1ccc(C#CCN(C)/C(N)=N/C(=O)OCc2ccccc2)cc1 ZINC000203471540 FF Annotated Mild CCCCNC(=O)C[C@@H]1C[C@]2(C(=O)OCC)CCC3=C2N(CCC3)C1=O ZINC000203472384 FF Annotated Anodyne CCOC(=O)[C@]12CCCC3=C1N(CCC3)C(=O)[C@@H](CC(=O)N1CCCC1)C2 ZINC000203472566 FF Annotated Anodyne CCCCNC(=O)C[C@@H]1C(=O)N2CCCC3=C2[C@@]1(C(=O)OCC)CCC3 ZINC000203472625 FF Annotated Anodyne C#CCN1C(=O)[C@]2(NCCc3c2[nH]c2ccc(OC)cc32)c2ccccc21 ZINC000203473216 FF Annotated Mild C=CCN1[C@H](C#N)[C@@H](c2ccc(C#Cc3cccc(OC)c3)cc2)[C@H]1CO ZINC000203473505 FF Annotated Mild C=CCN1[C@H](C#N)[C@@H](c2ccc(C#Cc3ccccc3OC)cc2)[C@H]1CO ZINC000203473515 FF Annotated Anodyne COc1ccc(-c2nnn3c2Cn2c4ccccc4c(=O)n2[C@@H](C)C3)cc1 ZINC000203473829 FF Annotated Anodyne COC(=O)C[C@@H]1OO[C@@](CCC/C=C/[C@@](C)(OC)[C@H](C)O)(OC)C[C@@H]1C ZINC000203525564 FF Annotated Reactive CN(C)c1cccc(-n2ccc3nc(COc4ccccc4)cn3c2=O)n1 ZINC000203693725 FF Annotated Anodyne CN(C)c1ccc(-c2cc3nccnc3c(NC[C@H]3CCCNC3)n2)cn1 ZINC000203741615 FF Annotated Anodyne in-vitro CN(C)c1ccc(-c2cc3nccnc3c(OC[C@H]3CCCNC3)n2)cn1 ZINC000203746985 FF Annotated Anodyne Cc1nc(-n2ccc3nc(COc4ccccc4)cn3c2=O)ccc1F ZINC000203794354 FF Annotated Anodyne Cc1cc(-n2ccc3nc(COc4ccccc4)cn3c2=O)ncc1F ZINC000204294552 FF Annotated Anodyne CC(C)[C@H](CO)NCc1nc([C@@H]2CCCC3(C2)OCCO3)ccc1F ZINC000204411171 FF Annotated Anodyne CC(C)[C@H](CO)NCc1nc([C@H]2CCCC3(C2)OCCO3)ccc1F ZINC000204411189 FF Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2cnc(C(F)(F)F)nc2)ccc1F ZINC000204412770 FF Annotated Anodyne CC(C)[C@H](CO)NCc1nc(C2CCC3(CC2)OCCO3)ccc1F ZINC000204419418 FF Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2cc(C(F)(F)F)nn2C)ccc1F ZINC000204420252 FF Annotated Anodyne Cn1cc(-c2nc(C(C)(C)c3ccc(-c4cnc(N)nc4)cc3)no2)cn1 ZINC000204648113 FF Annotated Anodyne Cc1nc2c([nH]1)CN([C@H]1CS[C@@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000204682881 FF Annotated Anodyne Cc1nc2c([nH]1)CN([C@H]1CS[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000204682898 FF Annotated Anodyne N#C[C@H]1C[C@@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000204965822 FF Annotated Mild N#C[C@H]1C[C@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000204965858 FF Annotated Mild COCCCNC(=O)CCN1C(=O)c2ccccc2Sc2ncccc21 ZINC000020512201 FF Annotated Anodyne O=C(CCn1c(=O)c2cccn2c2cccnc21)N1CCc2ccccc2C1 ZINC000020512338 FF Annotated Anodyne CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)CCc3ccco3)CC2)[C@H]1O ZINC000020515335 FF Annotated Anodyne Cc1cccc(-n2cnc(-c3nc(-c4c(C)ncc5c4CCNC5)no3)c2)n1 ZINC000020536120 FF Annotated Anodyne CCCc1cc(=O)[nH]c(-c2cccc(CN3CCN4CCC[C@@H]4C3)c2)n1 ZINC000020536145 FF Annotated Anodyne OCC[C@@H]1CN(Cc2cccn2-c2cccnc2)CCN1C1CCCC1 ZINC000020537317 FF Annotated Anodyne OCC[C@H]1CN(Cc2cccn2-c2cccnc2)CCN1C1CCCC1 ZINC000020537319 FF Annotated Anodyne Cc1ncc2c(c1-c1noc(COCC(F)(F)C(F)F)n1)CCNC2 ZINC000020537487 FF Annotated Anodyne O=C(CN1C(=O)CCC2=C1CCCC2)N1CCC(O)(c2ccccc2)CC1 ZINC000020539192 FF Annotated Anodyne Cc1ccccc1C(=O)N1CCC2(CC1)N=C(c1ccc(F)cc1)C(=O)N2 ZINC000020556561 FF Annotated Anodyne NC(=O)C1CCN(C(=O)C2=Cc3sc4c(c3CS2)CCCC4)CC1 ZINC000020557572 FF Annotated Anodyne O=C(c1cc2c(Cl)ccc3c2n1CCO3)N1CCC2(CC1)OCCO2 ZINC000020560045 FF Annotated Anodyne Cc1cccc(CNC(=O)CCC(=O)N2CCSc3ncccc32)c1 ZINC000020565006 FF Annotated Anodyne O=c1ccc(-c2ccc(S(=O)(=O)NCCC3=CCCCC3)s2)n[nH]1 ZINC000020574699 FF Annotated Anodyne CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 ZINC000020574737 FF Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)Cc1ccccc1 ZINC000020574830 FF Annotated Anodyne OCC[C@H]1CN(Cc2cc(F)ccc2-n2cccn2)CCN1C1CCCC1 ZINC000020599551 FF Annotated Anodyne NC(=O)c1ccc([C@@H]2CCCN2Cc2cccn2-c2ncccn2)s1 ZINC000020600436 FF Annotated Anodyne NC(=O)c1ccc([C@H]2CCCN2Cc2cccn2-c2ncccn2)s1 ZINC000020600437 FF Annotated Anodyne COCc1ccc(CN2CCN(Cc3cccs3)[C@@H](CCO)C2)o1 ZINC000020600979 FF Annotated Anodyne CCN(CC)CCn1c(S)nc2ccc(Br)cc2c1=O ZINC000020645187 FF Annotated Anodyne Cc1nn(CCO)c(C)c1-c1nc2c(cnn2Cc2cccc(Cl)c2)[nH]1 ZINC000020668450 FF Annotated Anodyne O=C(Nc1nnc(C(F)(F)F)s1)N1CC[C@@](O)(c2ccccc2)C1 ZINC000020775532 FF Annotated Anodyne O=C(Nc1nnc(C(F)(F)F)s1)N1CC[C@](O)(c2ccccc2)C1 ZINC000020775535 FF Annotated Anodyne CCc1nc(C)ccc1OCc1nc(-c2c(C)ncc3c2CCNC3)no1 ZINC000020779632 FF Annotated Anodyne O=C(Cc1cn2ccsc2n1)N1CCO[C@H](Cc2ccc(F)cc2)C1 ZINC000020779638 FF Annotated Anodyne O=C(Cc1cn2ccsc2n1)N1CCO[C@@H](Cc2ccc(F)cc2)C1 ZINC000020779642 FF Annotated Anodyne C[C@@H](O)c1cn(CC2CCN(Cc3ccc4cccc(F)c4n3)CC2)nn1 ZINC000020783028 FF Annotated Anodyne C[C@H](O)c1cn(CC2CCN(Cc3ccc4cccc(F)c4n3)CC2)nn1 ZINC000020783030 FF Annotated Anodyne CN(Cc1cccc(-c2nc([C@@H]3CCCO3)cc(=O)[nH]2)c1)Cc1ccn[nH]1 ZINC000020783158 FF Annotated Anodyne CN(Cc1cccc(-c2nc([C@H]3CCCO3)cc(=O)[nH]2)c1)Cc1ccn[nH]1 ZINC000020783162 FF Annotated Anodyne CC[C@@H](NC(=O)Cn1ncc(N2CCCCC2)cc1=O)c1cccs1 ZINC000020783658 FF Annotated Anodyne CC[C@H](NC(=O)Cn1ncc(N2CCCCC2)cc1=O)c1cccs1 ZINC000020783661 FF Annotated Anodyne CC(C)=CCN1CCN(Cc2nc3ccccc3nc2C)C[C@@H]1CCO ZINC000020784335 FF Annotated Anodyne c1cc(CN2CCOCC2)cc(-c2nc3c(cnn3Cc3ccncc3)[nH]2)c1 ZINC000020856322 FF Annotated Anodyne CC(=O)c1cc(Cc2nc(-c3c(C)ncc4c3CCNC4)no2)cs1 ZINC000020864766 FF Annotated Anodyne Cc1noc(C)c1CN1CCC2(CC1)c1ccccc1[C@@H](N(C)C)[C@@H]2O ZINC000020865220 FF Annotated Anodyne Cc1nc(-c2ccncc2)n2c1CN(C(=O)[C@@H]1Cc3ccccc3O1)CC2 ZINC000020867584 FF Annotated Anodyne Cc1nc(-c2ccncc2)n2c1CN(C(=O)[C@H]1Cc3ccccc3O1)CC2 ZINC000020867588 FF Annotated Anodyne OCC[C@@H]1CN(Cc2ccc3nsnc3c2)CCN1C1CCCCC1 ZINC000020878074 FF Annotated Anodyne OCC[C@H]1CN(Cc2ccc3nsnc3c2)CCN1C1CCCCC1 ZINC000020878077 FF Annotated Anodyne O[C@H]1[C@H](N2CC=CCC2)c2ccccc2C12CCN(Cc1c[nH]cn1)CC2 ZINC000020908257 FF Annotated Anodyne O[C@H]1[C@H](N2CCc3ccc(F)cc3C2)c2ccccc2C12CCNCC2 ZINC000020909139 FF Annotated Anodyne Cc1cc(-n2cccn2)ccc1CN1CCN(C2CCCC2)[C@@H](CCO)C1 ZINC000020917368 FF Annotated Anodyne CC(C)n1nccc1NC(=O)Cn1ccc(-c2nc3ccccc3n2C)n1 ZINC000020994416 FF Annotated Anodyne OCC[C@@H]1CN(Cc2cc3c(cc2Cl)OCO3)CCN1C1CCCC1 ZINC000020996762 FF Annotated Anodyne OCC[C@H]1CN(Cc2cc3c(cc2Cl)OCO3)CCN1C1CCCC1 ZINC000020996764 FF Annotated Anodyne CC(C)CCN1CCN(Cc2coc3ccccc3c2=O)C[C@@H]1CCO ZINC000020999470 FF Annotated Anodyne CC(=O)c1cc2c3c(oc2cc1O)[C@@](C)(O)CC[C@]31OC(C)=C(O)C1=O ZINC000205002355 FF Annotated Mild Cc1nc2c(N3CCOCC3)nccn2c1-c1ccc(OC(C)C)nc1 ZINC000205069735 FF Annotated Anodyne COc1ccc([C@@H]2Oc3c(O)cc(/C=C/C(=O)O)cc3[C@H]2CO)cc1OC ZINC000205081478 FF Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1C[C@@H]1OC[C@@H](O)[C@]1(C)O ZINC000205085492 FF Annotated Mild CC(C)NC(=O)c1cnc(N2CCN(Cc3ccccc3C#N)C2=O)s1 ZINC000205207764 FF Annotated Mild COc1ccc(C(=O)N2C[C@H]3ON=C(c4ccc(F)cc4)[C@@H]3C2)c(OC)c1 ZINC000205217218 FF Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3ON=C(c4ccc(F)cc4)[C@H]3C2)c(OC)c1 ZINC000205217237 FF Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3C(c4ccc(F)cc4)=NO[C@H]3C2)c(OC)c1 ZINC000205217251 FF Annotated Anodyne COc1ccc(C(=O)N2C[C@@H]3ON=C(c4ccc(F)cc4)[C@H]3C2)c(OC)c1 ZINC000205217269 FF Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3ccc(F)cc3C)C[C@H]12 ZINC000205217297 FF Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3C)C[C@H]12 ZINC000205217317 FF Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3ccc(F)cc3C)C[C@@H]12 ZINC000205217334 FF Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3C)C[C@@H]12 ZINC000205217350 FF Annotated Anodyne CN1O[C@@](C)(CC(=O)Nc2ccc3c(c2)OCO3)N=C1c1ccccc1F ZINC000205221710 FF Annotated Anodyne CN1O[C@](C)(CC(=O)Nc2ccc3c(c2)OCO3)N=C1c1ccccc1F ZINC000205221721 FF Annotated Anodyne CN1O[C@@](C)(CC(=O)Nc2cccc(F)c2)N=C1c1ccc2c(c1)OCO2 ZINC000205229739 FF Annotated Anodyne CN1O[C@](C)(CC(=O)Nc2cccc(F)c2)N=C1c1ccc2c(c1)OCO2 ZINC000205229756 FF Annotated Anodyne C[C@@H]1C[C@@H](O)C2=C(C[C@H]3C[C@]2(C)C(=O)O3)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000205270886 FF Annotated Anodyne C/C=C1\[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C(=O)[C@@]2(C)CO[C@H]1O ZINC000205272416 FF Annotated Anodyne COc1cc2c(c(O)c1[C@@H]1CCCN1)C(=O)c1c(O)cc(C)cc1C2=O ZINC000205440751 FF Annotated Clean COC1=C2C(C)(C)CCC[C@]2(C)c2c(O)c3c(c(O)c2C1=O)C[C@H](CO)O3 ZINC000205485179 FF Annotated Mild O=C(NCc1ccc(Cl)cc1)c1[nH]c(-c2ccc(F)cc2)nc(=O)c1O ZINC000205681192 FF Annotated Anodyne O=C(NCc1cccc(Cl)c1)c1[nH]c(-c2ccc(F)cc2)nc(=O)c1O ZINC000205688029 FF Annotated Anodyne O=C(NCc1ccc(F)cc1)c1[nH]c(-c2ccc(Cl)cc2)nc(=O)c1O ZINC000205694001 FF Annotated Anodyne CCC[C@H]1[C@@H](NC(=O)[C@@H]2CCOC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205712473 FF Annotated Anodyne CCC[C@H]1[C@@H](NC(=O)[C@H]2CCOC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000205712491 FF Annotated Anodyne NC(=O)c1nc2c(s1)CCOc1ccc(C#CC3(O)CCCC3)cc1-2 ZINC000205787203 FF Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1C(F)(F)CO2 ZINC000205787923 FF Annotated Mild NC(=O)c1nc2c(s1)CCOc1cc(F)c(C#CC3(O)CCCC3)cc1-2 ZINC000205796235 FF Annotated Mild CCc1cc(-c2cc([C@H](O)C3CC3)n3ncnc(N)c23)cc(F)c1CO ZINC000205821116 FF Annotated Anodyne CCc1cc(-c2cc([C@@H](O)C3CC3)n3ncnc(N)c23)cc(F)c1CO ZINC000205821130 FF Annotated Anodyne CCCCCn1nnnc1[C@@](C)(CCCC(=O)OC)NCc1ccco1 ZINC000205857914 FF Annotated Anodyne CCCCCn1nnnc1[C@](C)(CCCC(=O)OC)NCc1ccco1 ZINC000205857930 FF Annotated Anodyne COCCn1cc(-n2c(=O)[nH]c3ccccc32)cc(-c2ccccc2)c1=O ZINC000205859664 FF Annotated Anodyne CCOC(=O)/C(C#N)=C/C(=C(\O)c1ccccc1)[n+]1ccc(N(C)C)cc1 ZINC000205878826 FF Annotated Reactive CCN(C)C(=O)c1cnc(N2CCN(Cc3ccccc3C#N)C2=O)s1 ZINC000206019830 FF Annotated Mild C#CCN1C(=O)CC[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000206020979 FF Annotated Mild O=C(c1coc(N2CCN(Cc3cccc(F)c3)C2=O)n1)N1CCCCC1 ZINC000206023236 FF Annotated Anodyne Cc1ccc(F)c(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@@H]3C2)c1 ZINC000206023291 FF Annotated Anodyne Cc1ccc(F)c(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@H]3C2)c1 ZINC000206023316 FF Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H](C1CC1)N1C(=O)C(=O)c2ccccc21 ZINC000206050113 FF Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H](C1CC1)N1C(=O)C(=O)c2ccccc21 ZINC000206050140 FF Annotated Anodyne CCN(CC)CCNC(=O)c1csc([C@H](O)c2cccc(Cl)c2)n1 ZINC000206058669 FF Annotated Anodyne CCN(CC)CCNC(=O)c1csc([C@@H](O)c2cccc(Cl)c2)n1 ZINC000206058687 FF Annotated Anodyne CCOC(=O)C1=C(B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 ZINC000206076157 FF Annotated Mild O=C1CCCN1c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000206154480 FF Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c([C@@H]3CCCN3)cccc2c1 ZINC000206154554 FF Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c([C@H]3CCCN3)cccc2c1 ZINC000206154578 FF Annotated Anodyne CC(=O)n1nc(B2OC(C)(C)C(C)(C)O2)c2cc(Br)ccc21 ZINC000206177704 FF Annotated Mild CC(=O)n1nc(B2OC(C)(C)C(C)(C)O2)c2ccc(Br)cc21 ZINC000206178438 FF Annotated Mild COC(=O)c1cc(Br)c(OC)c(B2OC(C)(C)C(C)(C)O2)c1 ZINC000206188010 FF Annotated Mild CC1(C)OB(c2cnc(OCc3ccccc3)c([N+](=O)[O-])c2)OC1(C)C ZINC000206189259 FF Annotated Mild CN(Cc1ccccc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-] ZINC000206189563 FF Annotated Mild CC1(C)OB(c2cc([N+](=O)[O-])cnc2NCc2ccccc2)OC1(C)C ZINC000206190496 FF Annotated Mild CC1(C)OB(c2cncc([N+](=O)[O-])c2NCc2ccccc2)OC1(C)C ZINC000206190761 FF Annotated Mild COC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1NCc1ccccc1 ZINC000206191281 FF Annotated Mild CCOc1nc(OCc2ccccc2)ncc1B1OC(C)(C)C(C)(C)O1 ZINC000206195803 FF Annotated Mild CCOc1nc(N(C)Cc2ccccc2)ncc1B1OC(C)(C)C(C)(C)O1 ZINC000206195941 FF Annotated Mild COC(=O)C1=C2Nc3ccccc3[C@]23CC[N+]2([O-])CC[C@H]1[C@H]([C@H](C)OC)[C@H]32 ZINC000206222444 FF Annotated Bother CCC[C@@H]1CCCN(C(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@H]2C)CC1 ZINC000206365126 FF Annotated Anodyne Cc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(F)cc3)C(=O)C[C@@H]12 ZINC000206391184 FF Annotated Anodyne Cc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(F)cc3)C(=O)C[C@H]12 ZINC000206391219 FF Annotated Anodyne Cc1ccc2c(c1)[C@@H]1CC(=O)N(CCc3cccs3)C(=O)C1=C(N)O2 ZINC000206391410 FF Annotated Anodyne Cc1ccc2c(c1)[C@H]1CC(=O)N(CCc3cccs3)C(=O)C1=C(N)O2 ZINC000206391440 FF Annotated Anodyne NC1=C2C(=O)N(CCc3ccc(Cl)cc3)C(=O)C[C@H]2c2ccccc2O1 ZINC000206392228 FF Annotated Anodyne NC1=C2C(=O)N(CCc3ccc(Cl)cc3)C(=O)C[C@@H]2c2ccccc2O1 ZINC000206392261 FF Annotated Anodyne NC1=C2C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C[C@@H]2c2ccccc2O1 ZINC000206392391 FF Annotated Anodyne NC1=C2C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C[C@H]2c2ccccc2O1 ZINC000206392422 FF Annotated Anodyne O=C(O)C[C@@H]1CN(Cc2ccccc2Br)C(=O)c2cccn21 ZINC000206394061 FF Annotated Anodyne CS[C@@H]1C(=O)N(C)/C(=C/c2ccc(OCC=C(C)C)cc2)C(=O)N1C ZINC000206490955 FF Annotated Anodyne Cc1ccc2c(c1)-c1c(cnn1CC(=O)N(C)CCc1ccccn1)CO2 ZINC000206491451 FF Annotated Anodyne C=C[C@H]1CN2CC[C@@H]1C[C@@H]2[C@H](OS(=O)(=O)O)c1ccnc2ccccc12 ZINC000206835322 FF Annotated Mild CCC(=O)[C@@H](C)[C@@H](O)[C@@H](C)C(=O)O[C@H]1[C@@H](C)[C@H](CC)O[C@](O)(CC)[C@H]1C ZINC000207173614 FF Annotated Anodyne CC[C@H](NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C)c1cccs1 ZINC000207329483 FF Annotated Anodyne CC1=C2CC[C@@](C)(O)/C=C/C[C@@](C)(O)[C@@H](O)CC/C(C)=C/[C@@H]2OC1=O ZINC000207616604 FF Annotated Anodyne C=C[C@@]1(C)CC[C@H]2C(C)(C)[C@@H]3C=C(CC(=O)OC)[C@]2(OC3=O)[C@H]1C(=O)O ZINC000208219017 FF Annotated Mild COC(=O)/C(=C/C[C@H]1[C@@]2(CC[C@H]3C(C)(C)[C@@H](O)CC[C@]31C)CO2)[C@@H]1CO1 ZINC000208874669 FF Annotated Anodyne CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(\O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000209109468 FF Annotated Reactive COc1cc[n+](/C(C=C(C#N)C#N)=C(\O)c2ccc(OC)c(OC)c2)cc1 ZINC000209109572 FF Annotated Reactive Cc1coc2c1[C@H](OC(=O)C(C)C)[C@@]1(C)[C@H](C)CC[C@H](O)[C@]1(O)C2=O ZINC000209457747 FF Annotated Anodyne Fc1cccc(-n2cc(NCCN3CCN(C4CCCCC4)CC3)nn2)c1 ZINC000209669681 FF Annotated Anodyne Clc1ccc(Cn2cc(NCCN3CCCOCC3)nn2)cc1Cl ZINC000209672948 FF Annotated Anodyne CC(C)CN1CCc2nc(N3CCN(c4ccc(F)cc4)CC3)ncc2C1 ZINC000021039830 FF Annotated Anodyne CCOC(=O)Cc1cc(O)n2nc(NCc3ccc(C(C)C)cc3)nc2n1 ZINC000021178301 FF Annotated Anodyne CCN1CCN(c2ncc3c(n2)CCN(Cc2ccc(C)s2)C3)CC1 ZINC000021262338 FF Annotated Anodyne Fc1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncn2)cc1 ZINC000021289881 FF Annotated Anodyne O=C(O)c1noc2ncnc(NCc3ccc(CN4CCCCCC4)o3)c12 ZINC000021365069 FF Annotated Anodyne CC1(C)c2cc3cc(-c4ccc(O)cc4O)c(=O)oc3cc2O[C@H]1CO ZINC000210530878 FF Annotated Anodyne CC1=N[C@]2(N=C1N)c1cc(Br)ccc1CC21CCC(O)CC1 ZINC000210595852 FF Annotated Anodyne CC1=N[C@@]2(N=C1N)c1cc(Br)ccc1CC21CCC(O)CC1 ZINC000210595878 FF Annotated Anodyne COc1ccc([C@@H]2Oc3c(O)cc(/C=C\C=O)cc3[C@H]2CO)cc1OC ZINC000210733329 FF Annotated Reactive C/C=C(/C=O)[C@@H]1C[C@H]2c3[nH]c4ccc(O)cc4c3CCN2C=C1C(=O)OC ZINC000211239421 FF Annotated Reactive C/C=C1/CN2CCc3c([nH]c4ccc(O)cc34)[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC ZINC000211242249 FF Annotated Anodyne COc1cc([C@@H]2Oc3c(OC)cc(/C=C\C(=O)O)cc3[C@H]2CO)ccc1O ZINC000212122404 FF Annotated Anodyne C=CCN(C(=O)CN1CCOCC1)c1nc(C)c(-c2ccccc2)s1 ZINC000021540293 FF Annotated Mild c1ccc2c(c1)OC[C@@H](CNc1ncnc3c1nc1n3CCCCC1)O2 ZINC000021870977 FF Annotated Anodyne c1ccc2c(c1)OC[C@H](CNc1ncnc3c1nc1n3CCCCC1)O2 ZINC000021870980 FF Annotated Anodyne O=C(c1cc2n(n1)CCCN(Cc1cccc(F)c1)C2=O)N1CCCCC1 ZINC000021934039 FF Annotated Anodyne O=C(NCC1CCOCC1)c1nn(-c2ccc(F)cc2F)c2c1C[C@@H]1C[C@H]21 ZINC000215559263 FF Annotated Anodyne C#CCSc1nc(NNC(N)=S)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000215983127 FF Annotated Mild C#CCSc1nc(NNC(N)=S)c(C#N)c(-c2cccc(Cl)c2)n1 ZINC000215989876 FF Annotated Mild CO/C(=C/C(=O)O)[C@H]1c2cc3cccc(OC)c3c(O)c2C(=O)C[C@]1(C)O ZINC000216103668 FF Annotated Anodyne COC(=O)[C@H]1[C@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]21 ZINC000216105131 FF Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@H]2C[C@@H]3CC[C@H]2C3)cc1F ZINC000216250251 FF Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2C[C@@H]3CC[C@H]2C3)cc1F ZINC000216250449 FF Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(OC[C@H]2CC=CCC2)cc1F ZINC000216269562 FF Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(OC[C@@H]2CC=CCC2)cc1F ZINC000216269613 FF Annotated Anodyne COc1ccc(OCC(=O)NCC(=S)Nc2c(F)cccc2F)cc1 ZINC000217488688 FF Annotated Anodyne NC1=N[C@@]2(c3cc(Br)ccc3OCC23CC3)C(F)(F)CO1 ZINC000218546346 FF Annotated Anodyne NC1=N[C@]2(c3cc(Br)ccc3OCC23CC3)C(F)(F)CO1 ZINC000218546425 FF Annotated Anodyne C[C@@H](NS(C)(=O)=O)c1ccc(CN[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000218642321 FF Annotated Anodyne C[C@@H](NS(C)(=O)=O)c1ccc(CN[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000218642382 FF Annotated Anodyne O=C(NC1(CO)CCCC1)c1nn(-c2ccc(F)cc2F)c2c1C[C@H]1C[C@@H]21 ZINC000218908118 FF Annotated Anodyne CC(=O)N1CC[C@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 ZINC000218977599 FF Annotated Anodyne CC(=O)N1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 ZINC000218977636 FF Annotated Anodyne Nc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2[nH]cnc2n1 ZINC000218998526 FF Annotated Anodyne C=C[C@@H](O)Cc1nsc(C2=CCCS[C@@]23C(=O)Nc2ccccc23)n1 ZINC000219095265 FF Annotated Mild N#C[C@H](Cc1ccc(N2CCCCC2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219297711 FF Annotated Mild N#C[C@H](Cc1ccc(-c2ccoc2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219297841 FF Annotated Mild N#C[C@@H](Cc1ccc(-c2ccoc2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219297864 FF Annotated Mild Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@H](C)N(C(=O)c1ccc(C#N)cc1C)C2 ZINC000219383071 FF Annotated Mild Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@@H](C)N(C(=O)c1ccc(C#N)cc1C)C2 ZINC000219383140 FF Annotated Mild Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@H](C)N(C(=O)c1cccc(C#N)c1C)C2 ZINC000219510372 FF Annotated Mild Cc1nc2c(c(-c3ccn[nH]3)n1)C[C@@H](C)N(C(=O)c1cccc(C#N)c1C)C2 ZINC000219510450 FF Annotated Mild O=c1cc(-c2ccc3n[nH]nc3c2)nc2nc(-c3cccc(Cl)c3)[nH]n12 ZINC000219605455 FF Annotated Anodyne COC[C@@H](NC(=O)Nc1cc2n[nH]c(C3CC3)c2cn1)c1cc(F)ccn1 ZINC000219747321 FF Annotated Anodyne C[C@@H](CNC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1)N(C)C ZINC000219757588 FF Annotated Anodyne C[C@H](CNC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1)N(C)C ZINC000219757657 FF Annotated Anodyne C[C@@H](CN(C)C)NC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1 ZINC000219758415 FF Annotated Anodyne C[C@H](CN(C)C)NC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1 ZINC000219758492 FF Annotated Anodyne O=C(Nc1cc2n[nH]c(C(F)F)c2cn1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000219767473 FF Annotated Anodyne O=C(Nc1cc2n[nH]c(C(F)F)c2cn1)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000219767545 FF Annotated Anodyne O=C(Nc1cc2n[nH]c(C(F)F)c2cn1)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000219767619 FF Annotated Anodyne O=C(Nc1cc2n[nH]c(C(F)F)c2cn1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000219767692 FF Annotated Anodyne Cc1ccc(OC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CCO2)cn1 ZINC000219824971 FF Annotated Anodyne COCCCNC(=O)CSc1nnc2scc(-c3ccccc3)n12 ZINC000022336018 FF Annotated Anodyne Cc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN3CCC[C@@H]3C2)cc1 ZINC000022464070 FF Annotated Anodyne Cc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN3CCC[C@@H]3C2)cc1 ZINC000022464076 FF Annotated Anodyne CCCCCC(=O)N1CCN(CC/N=c2\cc(O)oc3ccccc23)CC1 ZINC000022472650 FF Annotated Anodyne O=c1nc(OC[C@@H]2CCCO2)cc2n1CCc1cc(C#CC3CC3)ccc1-2 ZINC000220205860 FF Annotated Mild O=c1nc(OC[C@H]2CCCO2)cc2n1CCc1cc(C#CC3CC3)ccc1-2 ZINC000220205918 FF Annotated Mild Cc1cc(N2C(=O)c3nn(C)cc3[C@H]2c2ccc(Cl)cc2)cn(C)c1=O ZINC000220359378 FF Annotated Anodyne Cc1cc(N2C(=O)c3nn(C)cc3[C@@H]2c2ccc(Cl)cc2)cn(C)c1=O ZINC000220359452 FF Annotated Anodyne Cn1cc2c(n1)C(=O)N(c1cc(F)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1 ZINC000220359554 FF Annotated Anodyne Cn1cc2c(n1)C(=O)N(c1cc(F)c(=O)n(C)c1)[C@H]2c1ccc(Cl)cc1 ZINC000220359626 FF Annotated Anodyne CC#Cc1cncc(-c2cc3c(cc2F)OCC2(CC2)[C@@]32COC(N)=N2)c1 ZINC000220718027 FF Annotated Mild CC#Cc1cncc(-c2cc3c(cc2F)OCC2(CC2)[C@]32COC(N)=N2)c1 ZINC000220718101 FF Annotated Mild COc1c(O)ccc2c(=O)c3c(O)cc4c(c3oc12)C(C)(C)CC(=O)O4 ZINC000220921414 FF Annotated Bother Cc1c(-c2ccc(C(=O)N(C)C)cc2)c(=O)oc2c(C=O)c(O)ccc12 ZINC000221058888 FF Annotated Anodyne Cc1c(-c2cccc(C(=O)N(C)C)c2)c(=O)oc2c(C=O)c(O)ccc12 ZINC000221059426 FF Annotated Anodyne O=Cc1c(O)ccc2nc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc12 ZINC000221063434 FF Annotated Anodyne COc1cc2c(C)c(-c3ccc(N(C)C)nc3)c(=O)oc2c(C=O)c1O ZINC000221071368 FF Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn3ncsc3n2)n1 ZINC000221130502 FF Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cn3ncsc3n2)n1 ZINC000221130568 FF Annotated Anodyne N#C[C@H]1C[C@@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C3CC3)cc2)n1 ZINC000221143343 FF Annotated Mild N#C[C@H]1C[C@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C3CC3)cc2)n1 ZINC000221143442 FF Annotated Mild N#C[C@@H]1CC2(CC[C@H]1n1cc(C(N)=O)c(Nc3ccnc(F)c3)n1)CC2 ZINC000221165439 FF Annotated Mild N#C[C@@H]1CC2(CC[C@@H]1n1cc(C(N)=O)c(Nc3ccnc(F)c3)n1)CC2 ZINC000221165505 FF Annotated Mild Nc1ncc(-c2cc(N3[C@H]4CCC[C@H]3CC4)nc(N3CC4CC3C4)n2)cn1 ZINC000221190512 FF Annotated Anodyne Cc1nc(-c2cnc(N)nc2)cc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000221281941 FF Annotated Anodyne Cc1nc(-c2cnc(N)nc2)cc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000221281997 FF Annotated Anodyne O=c1[nH]c(-c2cc(-c3cocn3)n(Cc3ccccc3F)n2)ncc1F ZINC000221342816 FF Annotated Anodyne Nc1nc(N2CCC(Br)CC2)c2c(n1)[nH]c1ccc(O)cc12 ZINC000221383905 FF Annotated Reactive COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C(=O)O)cc3[C@H]2C=O)ccc1O ZINC000221499866 FF Annotated Anodyne in-vitro O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(F)cc1)[C@H]([N+](=O)[O-])[C@H]1CCCN12 ZINC000221598680 FF Annotated Bother O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(F)cc1)[C@@H]([N+](=O)[O-])[C@H]1CCCN12 ZINC000221598733 FF Annotated Bother CC(C)(O)C(C)(C)OB(OC(C)(C)C(C)(C)O)c1ccnc(Cl)c1 ZINC000221634795 FF Annotated Mild CC(C)(O)C(C)(C)OB(OC(C)(C)C(C)(C)O)c1ccncc1Cl ZINC000221635106 FF Annotated Mild CC(C)(O)C(C)(C)OB(OC(C)(C)C(C)(C)O)c1ccc(Cl)nc1 ZINC000221635810 FF Annotated Mild CC(C)(O)C(C)(C)OB(OC(C)(C)C(C)(C)O)c1cncc(Cl)c1 ZINC000221635976 FF Annotated Mild CSc1ncccc1B(OC(C)(C)C(C)(C)O)OC(C)(C)C(C)(C)O ZINC000221636217 FF Annotated Mild CSc1ccc(B(OC(C)(C)C(C)(C)O)OC(C)(C)C(C)(C)O)cn1 ZINC000221637230 FF Annotated Mild Cc1cc(B(OC(C)(C)C(C)(C)O)OC(C)(C)C(C)(C)O)cnc1Cl ZINC000221637650 FF Annotated Mild CCOc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)ccc2n1 ZINC000221714703 FF Annotated Anodyne CCOc1ccc2cc(-c3nn(CC4CC4)c(N)c3C(N)=O)ccc2n1 ZINC000221714784 FF Annotated Anodyne CCOc1ccc2cc(-c3nn(CC(C)C)c(N)c3C(N)=O)cnc2c1 ZINC000221719444 FF Annotated Anodyne CCOc1ccc2cc(-c3nn(CC4CC4)c(N)c3C(N)=O)cnc2c1 ZINC000221719605 FF Annotated Anodyne CN[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000221855481 FF Annotated Mild CN[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000221855733 FF Annotated Mild N#C[C@H]1C[C@@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000221862790 FF Annotated Mild C[C@]1(O)CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000221864480 FF Annotated Mild C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C)c(NC(C)(C)C)nc34)[nH]c21 ZINC000222218987 FF Annotated Anodyne in-vitro Cc1nc(N2CC[C@H](O)C2)ncc1-c1cc(C(F)(F)F)cc2[nH]ncc12 ZINC000222300050 FF Annotated Anodyne Cc1nc(N2CC[C@@H](O)C2)ncc1-c1cc(C(F)(F)F)cc2[nH]ncc12 ZINC000222300110 FF Annotated Anodyne Cc1cc(C(=O)NCCO)ncc1-c1cc(C(F)(F)F)cc2[nH]ncc12 ZINC000222319550 FF Annotated Anodyne O=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c([C@H]3C[C@H]4CC[C@H]3C4)nc12 ZINC000222427425 FF Annotated Anodyne CSc1nnc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)o1 ZINC000222648799 FF Annotated Anodyne COc1cc(/C=C/C(=O)OCCc2ccc(O)c(O)c2)cc(OC)c1O ZINC000222700394 FF Annotated Clean CCn1cnc2cnc(Nc3ccnc(N4CCC(OC)CC4)n3)cc21 ZINC000222708322 FF Annotated Anodyne COC1CCN(c2nccc(Nc3cc4c(cn3)ncn4C3CC3)n2)CC1 ZINC000222716348 FF Annotated Anodyne CN(C)[C@H]1CC[C@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1 ZINC000222969655 FF Annotated Mild CN(C)[C@@H]1CC[C@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1 ZINC000222969721 FF Annotated Mild CN(C)[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1 ZINC000222974368 FF Annotated Mild CN(C)[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)[C@@H](C#N)C1 ZINC000222975152 FF Annotated Mild C[C@@]1(O)CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000222982028 FF Annotated Mild COc1c(C)c(-c2c(C)c(OC)c3c(c2O)OCO3)c(O)c2c1OCO2 ZINC000223076217 FF Annotated Anodyne Cc1noc(C)c1-c1ccc2c(=O)n(C)n3c2c1OC[C@@H]3c1cccnc1 ZINC000223113027 FF Annotated Anodyne Cc1noc(C)c1-c1ccc2c(=O)n(C)n3c2c1OC[C@H]3c1cccnc1 ZINC000223113083 FF Annotated Anodyne COc1cc([C@@H](O)[C@@H]2CO2)ccc1-c1cc(/C=C/CO)cc(OC)c1O ZINC000223231655 FF Annotated Anodyne CCN1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1 ZINC000223664677 FF Annotated Anodyne c1cc(-c2nc(N[C@@H]3CCNC3)c3scc(-c4ccn[nH]4)c3n2)ccn1 ZINC000223670463 FF Annotated Anodyne NCCNc1nc(-c2ccncc2)nc2c(Br)csc12 ZINC000223686471 FF Annotated Anodyne Cc1n[nH]c(C)c1-c1nc(N2CCNCC2)c2c3c(sc2n1)CCCC3 ZINC000223691328 FF Annotated Anodyne c1n[nH]cc1-c1nc(N2CCCNCC2)c2c3c(sc2n1)CCCC3 ZINC000223691658 FF Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OCCN3CCOCC3)c2F)cn1 ZINC000224581095 FF Annotated Anodyne Nc1cnc(-c2ccc(-c3cccnc3OC[C@@H]3CCNC3)cc2F)cn1 ZINC000224716972 FF Annotated Anodyne Nc1cnc(-c2ccc(-c3cccnc3OC[C@H]3CCNC3)cc2F)cn1 ZINC000224717021 FF Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3Oc3ccnc(N)n3)cn2)cn1 ZINC000224720297 FF Annotated Anodyne Nc1ccnc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)nc2)n1 ZINC000224725199 FF Annotated Anodyne CCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224752703 FF Annotated Anodyne Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)C3CC3)cc2F)cn1 ZINC000224754178 FF Annotated Anodyne Nc1ncc(-c2ccccc2-c2cnc(-c3cnc(N)nc3)c(F)c2)cn1 ZINC000224760968 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224766455 FF Annotated Anodyne CNS(=O)(=O)Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224792997 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)cc1 ZINC000224794856 FF Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)C3CC3)cn2)cn1 ZINC000224802160 FF Annotated Anodyne Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CC3)cc2F)cn1 ZINC000224804747 FF Annotated Anodyne Cc1cc(-c2ccccc2S(=O)(=O)N(C)C)ccc1-c1cnc(N)cn1 ZINC000224805402 FF Annotated Anodyne CN(c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)S(C)(=O)=O ZINC000224807161 FF Annotated Anodyne COc1c(-c2ccccc2S(C)(=O)=O)ccc(-c2cnc(N)cn2)c1F ZINC000224824228 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)cc1F ZINC000224832293 FF Annotated Anodyne CCc1cc(-c2cc([C@@H]3CCCNC3)n3ncnc(N)c23)cc(F)c1CO ZINC000224954978 FF Annotated Anodyne CCc1cc(-c2cc([C@H]3CCCNC3)n3ncnc(N)c23)cc(F)c1CO ZINC000224955016 FF Annotated Anodyne Nc1ncnn2c(C3(O)CCCCC3)cc(-c3cc(F)c(CO)c(F)c3)c12 ZINC000224964472 FF Annotated Anodyne COc1cccc([C@H](c2sc3ncnn3c2O)N2C[C@H](C)O[C@H](C)C2)c1 ZINC000022609860 FF Annotated Anodyne COc1cccc([C@H](c2sc3ncnn3c2O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000022609866 FF Annotated Anodyne Cc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN3CCC[C@H]3C2)cc1 ZINC000022862734 FF Annotated Anodyne OCC[C@H]1CN(Cc2cnc(N3CCCC3)s2)CCN1C1CCCC1 ZINC000022913671 FF Annotated Anodyne Cc1cccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)n1 ZINC000022913741 FF Annotated Anodyne CC[C@@H](C)[C@H]1CNCCN1CCCc1cc(OC)c(OC)c(OC)c1 ZINC000022929339 FF Annotated Anodyne CC[C@H](C)[C@H]1CNCCN1CCCc1cc(OC)c(OC)c(OC)c1 ZINC000022929345 FF Annotated Anodyne COc1cc(/C=C/CN2CCN(CCC(C)C)[C@@H](CCO)C2)ccc1O ZINC000022930811 FF Annotated Anodyne CC(C)CN1CCN(Cc2cc(F)ccc2-n2cccn2)C[C@@H]1CCO ZINC000022932858 FF Annotated Anodyne Cc1cc(-n2cccn2)ccc1CN1CCN(CC(C)C)[C@@H](CCO)C1 ZINC000022932978 FF Annotated Anodyne CN1CCN(C[C@@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)CC1 ZINC000022934051 FF Annotated Anodyne CN1CCN(C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)CC1 ZINC000022934055 FF Annotated Anodyne CCCC[C@H]1CN(C(=O)c2cccc(C)c2C)CCN1C[C@@H](N)CS ZINC000022938325 FF Annotated Mild CNC[C@H](CC1CCCCC1)NC[C@H](CO)NCC1(c2ccccc2)CC1 ZINC000022938873 FF Annotated Anodyne Cn1ccnc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225109145 FF Annotated Anodyne COc1cccc(Cc2noc(-c3cccnc3OC3CCNCC3)n2)c1 ZINC000225192780 FF Annotated Anodyne C/C=C(/C)C(=O)OCC(O)(COC(=O)/C(C)=C\C)c1ccc(C)cc1O ZINC000225819262 FF Annotated Anodyne Cc1ccc(N(C)C)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccccn2)C3)n1 ZINC000226039437 FF Annotated Anodyne CC#Cc1cnn(-c2ccc(F)c([C@@]3(C(F)F)N=C(N)O[C@@H]4C[C@@H]43)c2)c1 ZINC000226082516 FF Annotated Mild COc1ccccc1N1C(=O)[C@H](C(C)=O)[C@@H]2[C@@H]1Nc1ccccc1N2C ZINC000227219340 FF Annotated Anodyne COc1ccccc1N1C(=O)[C@H](C(C)=O)[C@H]2[C@@H]1Nc1ccccc1N2C ZINC000227219361 FF Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1cccs1 ZINC000227289921 FF Annotated Anodyne CCN(CC)c1ccc(NC(=O)N2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)cn1 ZINC000229767342 FF Annotated Anodyne CCN(CC)c1ccc(NC(=O)N2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)cn1 ZINC000229767351 FF Annotated Anodyne CCCN(CCC)C(=O)c1cc(-c2ccccc2)nc2c(C(N)=O)ncn12 ZINC000023098671 FF Annotated Anodyne CC(C)(N)c1cn(C2CCN(Cc3ccnc4ccccc34)CC2)nn1 ZINC000023128504 FF Annotated Anodyne Cn1ncc(N2CCC(CNC3CC(c4ccccc4)C3)CC2)cc1=O ZINC000023128581 FF Annotated Anodyne O=c1cc([C@@H]2CCCO2)nc(-c2cccc(CN3CCCOCC3)c2)[nH]1 ZINC000023129142 FF Annotated Anodyne O=c1cc([C@H]2CCCO2)nc(-c2cccc(CN3CCCOCC3)c2)[nH]1 ZINC000023129143 FF Annotated Anodyne Cc1nc(C2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)cc(=O)[nH]1 ZINC000023145950 FF Annotated Anodyne Cc1ccc2occ(CN3CCC[C@@H](c4cc(=O)[nH]cn4)C3)c(=O)c2c1 ZINC000023153484 FF Annotated Anodyne Cc1ccc2occ(CN3CCC[C@H](c4cc(=O)[nH]cn4)C3)c(=O)c2c1 ZINC000023153485 FF Annotated Anodyne Cc1ccc(C2(C(=O)N3CCC(c4cc(=O)[nH]c(C)n4)CC3)CC2)cc1 ZINC000023153514 FF Annotated Anodyne Nc1cc(C(=O)N2CCC[C@@H]2c2ccc(C(=O)NC3CCC3)s2)ccn1 ZINC000023153561 FF Annotated Anodyne Nc1cc(C(=O)N2CCC[C@H]2c2ccc(C(=O)NC3CCC3)s2)ccn1 ZINC000023153562 FF Annotated Anodyne NC(=O)c1ccc([C@@H]2CCCN2C(=O)c2cc(=O)c3ccccc3o2)s1 ZINC000023153642 FF Annotated Anodyne NC(=O)c1ccc([C@H]2CCCN2C(=O)c2cc(=O)c3ccccc3o2)s1 ZINC000023153643 FF Annotated Anodyne CC(C)c1nc(CN(C)/C(O)=N/c2nc(-c3ccccc3F)n[nH]2)no1 ZINC000023153687 FF Annotated Mild CN(Cc1ccc2c(c1)OCO2)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O ZINC000023159495 FF Annotated Anodyne O=c1cc([C@@H]2CCCN(Cc3ccc(-c4csnn4)cc3)C2)nc[nH]1 ZINC000023191589 FF Annotated Anodyne O=c1cc([C@H]2CCCN(Cc3ccc(-c4csnn4)cc3)C2)nc[nH]1 ZINC000023191593 FF Annotated Anodyne Cc1nc([C@@H]2CCCN(Cc3ccc4c(c3)CCCN4C)C2)cc(=O)[nH]1 ZINC000023191791 FF Annotated Clean CCc1nccn1CCC(=O)N1CCC[C@@H]1c1ccc(C(=O)NC)s1 ZINC000023192383 FF Annotated Anodyne CCc1nccn1CCC(=O)N1CCC[C@H]1c1ccc(C(=O)NC)s1 ZINC000023192387 FF Annotated Anodyne COc1ccc(-c2cn(C3CCN(Cc4nc(C)c[nH]4)CC3)nn2)cc1 ZINC000023192463 FF Annotated Anodyne CC(C)c1n[nH]c2c1CN(Cc1ccc(Sc3nncn3C)o1)CC2 ZINC000023192467 FF Annotated Anodyne CC(C)(C)C(=O)Nc1ncccc1CN1CCC[C@@H](c2cc(=O)[nH]cn2)C1 ZINC000023192489 FF Annotated Anodyne CC(C)(C)C(=O)Nc1ncccc1CN1CCC[C@H](c2cc(=O)[nH]cn2)C1 ZINC000023192493 FF Annotated Anodyne Cc1cccc(Cc2nnc(NC(=O)N3CC(n4cccn4)C3)s2)c1 ZINC000023192621 FF Annotated Anodyne CCCCn1nnnc1NC(=O)N1CCOc2ccc(Cl)cc2C1 ZINC000023232424 FF Annotated Anodyne O=C(NCc1ccco1)N1CCC[C@@H](Cn2cc(-c3cccnc3)nn2)C1 ZINC000023250310 FF Annotated Anodyne O=C(NCc1ccco1)N1CCC[C@H](Cn2cc(-c3cccnc3)nn2)C1 ZINC000023250313 FF Annotated Anodyne O[C@@H](c1ccccc1)c1cn(C2CCN(Cc3nccs3)CC2)nn1 ZINC000023250705 FF Annotated Anodyne O[C@H](c1ccccc1)c1cn(C2CCN(Cc3nccs3)CC2)nn1 ZINC000023250708 FF Annotated Anodyne Cc1[nH]c2c(F)cccc2c1CC(=O)N1CCC[C@@H](c2cc(=O)[nH]cn2)C1 ZINC000023251137 FF Annotated Anodyne Cc1[nH]c2c(F)cccc2c1CC(=O)N1CCC[C@H](c2cc(=O)[nH]cn2)C1 ZINC000023251140 FF Annotated Anodyne Cc1ccsc1CNc1ccccc1C(=O)NCc1cc(=O)[nH]cn1 ZINC000023311761 FF Annotated Anodyne Cc1ncc(C)c(N2CCC3(CC2)c2ccccc2[C@@H](N(C)C)[C@@H]3O)n1 ZINC000023312381 FF Annotated Anodyne O=C(c1ncc[nH]1)N1CCC(Cn2cc(-c3cccc(Cl)c3)nn2)CC1 ZINC000023337250 FF Annotated Anodyne Cc1nc(CCNC(=O)c2oc(COc3ccccc3)cc2C)cc(=O)[nH]1 ZINC000023337535 FF Annotated Anodyne Cc1nc(C2CCN(Cc3cnn(-c4cccc(F)c4)c3)CC2)cc(=O)[nH]1 ZINC000023338243 FF Annotated Anodyne CCOc1ccc(-c2[nH]nc3c2CN(C(=O)c2ccnc(N)c2)CC3)cc1 ZINC000023339883 FF Annotated Anodyne COc1ccc(CN2CCN(Cc3nccs3)C[C@@H]2CCO)cc1C ZINC000023360790 FF Annotated Anodyne CC(C)(O)C#Cc1ccc(C(=O)N2CCc3[nH]nc(-c4ccco4)c3C2)o1 ZINC000023367330 FF Annotated Mild Cc1nc(C2CCN(Cc3cccc4c3OC(F)(F)O4)CC2)cc(=O)[nH]1 ZINC000023399068 FF Annotated Anodyne Cc1nc([C@@H]2CCCN(Cc3cccn3Cc3cccnc3)C2)cc(=O)[nH]1 ZINC000023429309 FF Annotated Anodyne Cc1nc([C@H]2CCCN(Cc3cccn3Cc3cccnc3)C2)cc(=O)[nH]1 ZINC000023429313 FF Annotated Anodyne Cc1n[nH]c(C)c1CCCN(C)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O ZINC000023429342 FF Annotated Anodyne Cc1cc(C)n(CCCN(C)[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)n1 ZINC000023430235 FF Annotated Anodyne O=C(NCCc1cc(=O)[nH]cn1)c1sc2cccc(F)c2c1Cl ZINC000023478800 FF Annotated Anodyne c1ccc(-c2cn(C3CCN(Cc4cnn5cccnc45)CC3)nn2)cc1 ZINC000023478916 FF Annotated Anodyne C/C=C/C[C@H](C)C[C@H](C)C(=O)C1=C(O)[C@H]([C@@H](O)c2ccc(O)cc2)NC1=O ZINC000230017189 FF Annotated Anodyne COC[C@@H]1CCCN1C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12 ZINC000230058108 FF Annotated Anodyne CC(=O)/C=C/[C@@H]1[C@@](C)(O)[C@@H](O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@@]12C ZINC000230082106 FF Annotated Mild in-man CC(=O)/C=C/[C@H]1[C@@](C)(O)[C@@H](O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]21C ZINC000230082113 FF Annotated Mild in-man CC(=O)/C=C/[C@@H]1[C@](C)(O)[C@@H](O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@@]12C ZINC000230082117 FF Annotated Mild in-man CC(=O)/C=C/[C@H]1[C@](C)(O)[C@@H](O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]21C ZINC000230082124 FF Annotated Mild in-man CC(=O)/C=C/[C@@H]1[C@@](C)(O)[C@@H](OC(C)=O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@@]12C ZINC000230082130 FF Annotated Mild in-man CC(=O)/C=C/[C@@H]1[C@](C)(O)[C@@H](OC(C)=O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@@]12C ZINC000230082136 FF Annotated Mild in-man CC(=O)/C=C/[C@H]1[C@](C)(O)[C@@H](OC(C)=O)[C@@H](O)[C@@H]2C(C)(C)CCC[C@]21C ZINC000230082141 FF Annotated Mild in-man CC(=O)O[C@@H]1C/C=C(/C)C[C@@H](OC(C)=O)[C@H]2[C@@H](/C=C/1C)OC(=O)[C@@H]2C ZINC000230086665 FF Annotated Anodyne in-man CC1=C2C[C@@H](C(C)(C)O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)CC[C@@]2(C)CCC1 ZINC000230091489 FF Annotated Anodyne in-man CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)CC[C@@]2(C)CCC1 ZINC000230091495 FF Annotated Anodyne in-man CC1=C2C[C@@H](C(C)(C)O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)CC[C@@]2(C)CCC1 ZINC000230091501 FF Annotated Anodyne in-man CC1=C2C[C@H](C(C)(C)O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)CC[C@@]2(C)CCC1 ZINC000230091505 FF Annotated Anodyne in-man COC1=CC(=C/C=C\C=C2C=C(OC)C(=O)C(OC)=C2)C=C(OC)C1=O ZINC000230102819 FF Annotated Mild in-man O=C(N[C@@H](Cc1ccccn1)C1CC(O)C1)c1cccc2c1NCCC2 ZINC000230469675 FF Annotated Anodyne NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3cn[nH]c3)C[C@H]2CS1 ZINC000230498999 FF Annotated Anodyne in-vitro O=c1ccc2cc(OCc3cn(-c4ccccc4[N+](=O)[O-])nn3)ccc2o1 ZINC000230502702 FF Annotated Bother CCn1ccc2cc(C(=O)N[C@H](C3CCNCC3)C3CC(O)C3)ccc21 ZINC000230510660 FF Annotated Anodyne Cn1cc([C@H](NC(=O)c2cc3c(s2)CCCCC3)C2CC(O)C2)cn1 ZINC000230515195 FF Annotated Anodyne Cc1nc(C)c(C(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)s1 ZINC000230528570 FF Annotated Anodyne O=C(CN(Cc1ccccn1)Cc1ccccn1)NC1Cc2ccccc2C1 ZINC000230558767 FF Annotated Anodyne CNc1c(C(N)=O)c(-c2ccc3scnc3c2)nn1CC(F)(F)F ZINC000230565960 FF Annotated Anodyne O=C(N[C@@H](Cc1ccccn1)C1CC(O)C1)C1(c2ccccc2F)CC1 ZINC000230571091 FF Annotated Anodyne OC1CC([C@H](NC2CSCCSC2)c2ccc3c(c2)CCO3)C1 ZINC000230583826 FF Annotated Anodyne C[C@@]1(c2ccccc2O)O[C@@H]2N3[C@H](CO[C@H]31)O[C@]2(C)c1ccccc1O ZINC000230587822 FF Annotated Anodyne CCn1ncc2c(F)cc(-c3ccc([C@@]4(C)CCCNC4=O)c(=O)[nH]3)cc21 ZINC000231363339 FF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](C)NC(=O)[C@@H]1C3 ZINC000231390513 FF Annotated Anodyne C[C@@H](C(=O)N1CCc2[nH]nc(C3CCC3)c2C1)n1c(=O)oc2ccccc21 ZINC000023505882 FF Annotated Anodyne C[C@H](C(=O)N1CCc2[nH]nc(C3CCC3)c2C1)n1c(=O)oc2ccccc21 ZINC000023505885 FF Annotated Anodyne Cc1ccsc1CNc1cccc(C(=O)NCc2cc(=O)[nH]cn2)c1 ZINC000023506553 FF Annotated Anodyne CCCc1ccc(-c2n[nH]c3c2CN(C(=O)N2CCOCC2)CC3)cc1 ZINC000023541550 FF Annotated Anodyne Cn1ccnc1C(=O)N1CCc2[nH]nc(COc3cccc(Cl)c3)c2C1 ZINC000023542949 FF Annotated Anodyne COc1cc(-c2ncnn2-c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000023549907 FF Annotated Bother CCCc1cc(=O)[nH]c(-c2ccccc2CN(C)CCn2cccn2)n1 ZINC000023581076 FF Annotated Anodyne O[C@H]1[C@H](N2CCN(C3CCCCC3)CC2)c2ccccc2C12CCNCC2 ZINC000023581165 FF Annotated Anodyne CCCn1nccc1NC(=O)Cn1cc(-c2ncnc3ccsc23)cn1 ZINC000023581314 FF Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CC[C@@H](n4ccnc4)C3)c3ccccc3n2)cn1 ZINC000023581906 FF Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CC[C@H](n4ccnc4)C3)c3ccccc3n2)cn1 ZINC000023581908 FF Annotated Anodyne O=C(CCc1[nH]nc2c1CCCC2)N1CCc2[nH]nc(C3CCC3)c2C1 ZINC000023619390 FF Annotated Anodyne O=C(c1ncc[nH]1)N1CCC(n2cc(-c3cccc(Cl)c3)nn2)CC1 ZINC000023620132 FF Annotated Anodyne CN1c2ccccc2N[C@H]2ON=C(c3ccc(Br)cc3)N[C@H]21 ZINC000023634491 FF Annotated Anodyne C[C@@H](CC[C@H](O)C(C)(C)O)C1=CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)CC[C@H]3O ZINC000238730817 FF Annotated Mild CCCCC(=O)OC[C@@]1(c2ccc(CO)cc2OC(=O)C(C)C)CO1 ZINC000238731129 FF Annotated Anodyne COc1cc2c(cc1O)CCCN1CCC3=C[C@@H](OC(C)=O)[C@H](OC)C[C@]321 ZINC000238731253 FF Annotated Anodyne CC(C)=C[C@H]1OC(=O)/C(=C/C[C@@H](O)/C(C)=C/CC/C(C)=C/CO)[C@@H]1O ZINC000238731497 FF Annotated Anodyne COC(=O)/C=C(/C)CC[C@]1(O)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@@]21C ZINC000238731528 FF Annotated Anodyne CN1CCc2cc3c(cc2[C@H]2C(=O)c4c(ccc5c4OCO5)[C@H]21)OCO3 ZINC000238731621 FF Annotated Anodyne C[C@@H]1C[C@@H](O)[C@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000238731691 FF Annotated Anodyne CC1(C)[C@@H](O)C[C@H]2O[C@@]2(C)[C@@]12C[C@@H](Br)[C@](C)(Cl)C[C@@H]2O ZINC000238731710 FF Annotated Reactive C/C=C1/[C@@H]2CCN3CC[C@]4(c5ccc(OC)c(O)c5N(C(C)=O)[C@@H]4C2)[C@@H]13 ZINC000238731797 FF Annotated Anodyne C[C@@H]1C[C@@H](O)[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@@H](c1ccco1)OC2=O ZINC000238731841 FF Annotated Anodyne CC[C@H]1C(=O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](O)[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000238731879 FF Annotated Anodyne COC(=O)[C@H]1C[C@@]23CCC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@]15CC2)[C@H]34 ZINC000238732093 FF Annotated Bother COc1cc(O)c2c(c1)O[C@@H]1c3cc(OC)c(OC)cc3CO[C@H]1C2=O ZINC000238732122 FF Annotated Anodyne COC1=C[C@H](C)[C@H]2C[C@H]3OC(=O)C[C@H]4C(C)=C(O)C(=O)[C@@H]([C@@]2(C)C1=O)[C@@]34C ZINC000238732124 FF Annotated Mild C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3[C@@H](OC(=O)CC(C)C)C[C@@H](O)[C@@]3(C)C[C@H]12 ZINC000238732237 FF Annotated Mild COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(cc(OC)c(OC)c1Cl)C2=O ZINC000238732738 FF Annotated Mild CNCCc1cc2c(cc1C1=Cc3ccc4c(c3C1=O)OCO4)OCO2 ZINC000238732928 FF Annotated Mild C/C=C1/CN2CC[C@@H]3c4cc(OC)ccc4N4[C@H](C(=O)OC)[C@H]1C[C@H]2[C@H]34 ZINC000238732945 FF Annotated Clean CC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@]5(CCO[C@]425)CC[C@H]13 ZINC000238733123 FF Annotated Anodyne COC1=C(O)C(=O)C2=C(C1=O)c1cc(ccc1OC)CC[C@H](O)CCCC2 ZINC000238733363 FF Annotated Mild COC1=C(C)[C@H]2CC(=O)O[C@@H]3C[C@@H]4[C@H](C)C=C(O)C(=O)[C@@]4(C)[C@H](C1=O)[C@]23C ZINC000238733520 FF Annotated Mild CC[C@@]12CC(OC(C)=O)=C3Nc4ccccc4[C@@]34CCN(C[C@H]3O[C@H]31)[C@@H]24 ZINC000238733572 FF Annotated Anodyne C[C@@]1([C@H]2C[C@@H](c3ccoc3)O[C@@H]2O)C[C@@H]2OC(=O)C3=CCC[C@H](O1)[C@@]32C ZINC000238733650 FF Annotated Anodyne C/C=C1/CN2CCc3c([nH]c4cc(O)ccc34)[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC ZINC000238733655 FF Annotated Anodyne CC(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC(C)=O)C[C@H]2CCC[C@H](C)[C@@]12C ZINC000238733905 FF Annotated Anodyne CC[C@@H](C)C(=O)O[C@@H](/C=C1\C=C(C)C2=NCC[C@H]3O[C@]213)[C@H](C)OC(C)=O ZINC000238734460 FF Annotated Anodyne CC(C)=C1C[C@@H]2[C@@](C)(CC[C@@H](OC(=O)[C@]3(C)O[C@H]3C)[C@]2(C)O)CC1=O ZINC000238734519 FF Annotated Mild O=C1OC[C@@H]2Cc3ccc4c(c3C(c3ccc5c(c3)OCO5)=C12)OCO4 ZINC000238734718 FF Annotated Anodyne C=CC[C@]12C=C(OC)C(=O)[C@](OC)([C@@H](c3ccc4c(c3)OCO4)[C@@H]1C)[C@@H]2O ZINC000238734887 FF Annotated Mild CC[C@H]1C(=O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](O)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000238735018 FF Annotated Anodyne CC[C@@H]1CO[C@@H](O)[C@H]2[C@H]1C[C@H]1N[C@@H]2[C@@H](OC)c2c1n(C)c1ccccc21 ZINC000238735111 FF Annotated Anodyne c1cc2c(cc1[C@H]1OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]3O1)OCO2 ZINC000238735133 FF Annotated Anodyne C=C(C[C@@H]1C=C(C)C(=O)O1)C(=O)COc1ccc2ccc(=O)oc2c1OC ZINC000238735418 FF Annotated Mild COc1cc(/C(=C\CO)Oc2ccc(CCCO)cc2OC)ccc1O ZINC000238735640 FF Annotated Anodyne CC(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(OC(C)=O)C[C@H]2CCC[C@H](C)[C@@]12C ZINC000238735657 FF Annotated Anodyne C=C(C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@H]2CC[C@H]3O[C@@]3(C)[C@]21C ZINC000238736532 FF Annotated Mild C/C(=C/CCC1=CCC[C@](C)([C@H](O)CC/C(C)=C\CO)OC1=O)CO ZINC000238736568 FF Annotated Anodyne COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1C(=NCC3)C2=O ZINC000238736633 FF Annotated Clean C=C(C)[C@H]1C[C@@H]2O[C@]2(C)C(=O)[C@@H]1OC(=O)/C(C)=C/COC(=O)/C(C)=C/C ZINC000238736720 FF Annotated Mild C/C=C1/CN(C)[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@@H]1[C@@H]2CO3 ZINC000238736944 FF Annotated Anodyne C=C1C(=O)O[C@H]2CC(COC(C)=O)=C([C@@H](C)CCCOC(C)=O)C[C@H]12 ZINC000238737039 FF Annotated Mild C[N+]1(C)CCc2cc3c(cc2[C@@H]1Cc1ccc2c(c1CO)OCO2)OCO3 ZINC000238737077 FF Annotated Bother C=C1C[C@]23C[C@H]1CCC2=C1CC[C@H](O)[C@@](C)(C(=O)OC)[C@H]1[C@@H]3C(=O)OC ZINC000238737144 FF Annotated Mild CC[C@H](O)CC[C@]1(CO)[C@H]2CCC3=C4[C@@H](CC3)[C@@H](CO)C[C@]41CN(C)C2 ZINC000238737348 FF Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC=C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OCC ZINC000238737382 FF Annotated Mild C/C(=C/C(=O)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 ZINC000238737497 FF Annotated Anodyne COc1cc2c(cc1O)C[C@@H]1NCCc3c(OC)c(OC)c(OC)c-2c31 ZINC000238737688 FF Annotated Anodyne C=C1[C@H]2CC[C@@]3([C@H]4C[C@@H]5[C@]6(C)CCC[C@@]5([C@@H](O4)N(CCO)C6)[C@@H]3C2)[C@@H]1O ZINC000238737717 FF Annotated Mild C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@](C)(O)CCC[C@H](C)CC[C@H]1C(C)(C)O ZINC000238737786 FF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)[C@]3(C[C@H]2[C@]1(C)O)OC3(C)C ZINC000238737797 FF Annotated Anodyne COc1cc(OC)c2c(c1)O[C@@H]1c3cc(OC)c(OC)cc3CO[C@H]1C2=O ZINC000238738061 FF Annotated Anodyne CC(=O)/C=C/[C@H]1[C@](C)(O)[C@@H](OC(C)=O)[C@H](O)[C@H]2C(C)(C)CCC[C@@]21C ZINC000238738113 FF Annotated Mild CC(=O)Oc1cc2oc3oc4c(C)c(O)c(O)c(O)c4c(=O)c3c2cc1O ZINC000238738153 FF Annotated Clean C[C@]1(O)CC(=O)[C@@]2(C)[C@H](CC[C@H]3O[C@]32C)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000238738165 FF Annotated Anodyne C[C@H](C[C@@H](O)[C@@]1(C)C(=O)CC[C@H]2O[C@]21C)[C@@H]1C[C@H](c2ccoc2)OC1=O ZINC000238738363 FF Annotated Anodyne COC(=O)C1=C[C@]23C[C@@H](C)CC[C@@H]2[C@]2(C)[C@H]1C(=O)[C@@H](C(C)C)C[C@]2(O)O3 ZINC000238738517 FF Annotated Anodyne C/C1=C\[C@]2(O)OC[C@@]3(C)O[C@@]23CC[C@](C)(O)/C=C/C[C@]2(C)O[C@H]2CC1 ZINC000238738627 FF Annotated Anodyne C/C=C1/CN2[C@H](C(=O)OC)[C@H]1CC(=O)c1[nH]c3ccccc3c1C[C@H]2OC ZINC000238738667 FF Annotated Anodyne CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@H](C)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]2(C)CCC1 ZINC000238738826 FF Annotated Anodyne C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)O[C@@](C)([C@H](O)CO)CC[C@H]21 ZINC000238739519 FF Annotated Anodyne COC1=C[C@H]2OC(C)(C)[C@@H](O)C[C@H]2C(O)=C1C(=O)/C=C/c1ccc(O)cc1 ZINC000238739547 FF Annotated Mild C[C@@H]1CN2C[C@H]3CC[C@H]4CCC=C4[C@]45CCC(=O)OC[C@]34CC[C@@]1(O)[C@H]25 ZINC000238739599 FF Annotated Anodyne COc1ccc2c(c1OC)C=[N+]1CCc3cc4c(c(OC)c3[C@@H]1C2)OCO4 ZINC000238739660 FF Annotated Anodyne C/C(=C\C(=O)[C@@H](C)CCC[C@]1(C)O[C@H]1CC/C(=C\CO)CO)C(C)(C)O ZINC000238739715 FF Annotated Mild C=C1[C@@H]2C[C@@H]([C@H](C)O)[C@@H]3N1CCc1c([nH]c4ccccc14)[C@]3(C(=O)OC)C2 ZINC000238739971 FF Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]2[C@]1(C)O ZINC000238740014 FF Annotated Mild CC(=O)O[C@H]1C/C=C(\C)[C@H](OC(C)=O)C[C@@H]2[C@@H](/C=C/1C)OC(=O)[C@@H]2C ZINC000238740034 FF Annotated Anodyne C[C@@H]1CC[C@@]2(O)C(C)(C)CCC(=O)[C@@]23C(=O)O[C@H](c2ccoc2)C[C@@]13O ZINC000238740037 FF Annotated Anodyne CC(C)=C1C[C@H]2[C@](C)(O)[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)CC[C@]2(C)CC1=O ZINC000238740061 FF Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CCC(COC(=O)CC)=C1C[C@H](OC(C)=O)C(=C)[C@@H]12 ZINC000238740280 FF Annotated Mild CC1=C([C@@H](OC(=O)CC(C)C)[C@@]2(C)C(C=O)=CCC[C@@H]2C)[C@H](O)OC1=O ZINC000238740419 FF Annotated Reactive CC[C@@H]1C[C@@H]2CN3CC[C@]4(O)C(=Nc5ccccc54)[C@@](C(=O)OC)(C2)[C@@H]13 ZINC000238740693 FF Annotated Anodyne COC(=O)[C@@]12C[C@H]3C[C@H]4[C@@H]1N(CCc1c2[nH]c2ccccc12)[C@@H]3O[C@@H]4C ZINC000238741000 FF Annotated Anodyne COc1cc([C@H]2Oc3cc(/C=C/CO)cc(OC)c3[C@@H]2CO)ccc1O ZINC000238741073 FF Annotated Anodyne C/C=C1\CN2CCc3c4n(c5ccccc35)[C@](OC)(C(=O)OC)[C@H]1C[C@@H]42 ZINC000238741243 FF Annotated Anodyne CC[C@@H](C)C(=O)O[C@@H]1C[C@@](C)(O)[C@@H]2CC=C(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]12 ZINC000238741338 FF Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1C[C@H]1OC[C@H](O)[C@@]1(C)O ZINC000238741378 FF Annotated Mild C/C(=C\CCC1=CC(=O)OC1)CC/C=C(\CO)CCC=C(CO)CO ZINC000238741476 FF Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CCC[C@](C)(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H]2C1 ZINC000238741553 FF Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC(=O)[C@](C)(O)[C@]21CC[C@]2(COC(=O)C2)O1 ZINC000238741945 FF Annotated Anodyne C=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C ZINC000238742205 FF Annotated Mild C=C1CC[C@]2(O)[C@@H]1C(=O)[C@H](C(C)C)C[C@H](OC(=O)/C(C)=C\C)[C@@]2(C)O ZINC000238742288 FF Annotated Mild CC(=O)N1c2ccccc2[C@@]23CCN(C)/C=C4\[C@@H](C)OC[C@@H]([C@H]12)[C@H]4CC3=O ZINC000238742458 FF Annotated Anodyne COc1ccc(C[C@H]2COC[C@H]2[C@H](O)c2ccc(OC)c(O)c2)cc1O ZINC000238742565 FF Annotated Anodyne C[C@]1(O)CC[C@@]2(C)[C@@]3(CC[C@@]2(C)C(=O)O3)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000238742702 FF Annotated Anodyne C/C=C1/CN(C)C[C@@]2(C(=O)OC)Cc3c([nH]c4ccccc34)C(=O)C[C@@H]12 ZINC000238742721 FF Annotated Anodyne CO[C@H]1Cc2c(O)ccc3c2C(=C2c4cccc(O)c4C(=O)C[C@@H]23)[C@H]1O ZINC000238743152 FF Annotated Anodyne CC1=C(C)[C@H]2[C@H](C)NC(=O)[C@]23C(=O)CC[C@]2(C)O[C@@H]2[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000238743239 FF Annotated Anodyne CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2[C@@H](C=O)/C1=C(/C=O)C(=O)O ZINC000238743270 FF Annotated Reactive C=CC[C@]12CC(=O)[C@H](OC)[C@H]([C@@H]1O)[C@H](c1cc(OC)c3c(c1)OCO3)[C@H]2C ZINC000238743379 FF Annotated Mild C[C@H]1CC[C@H]2[C@H](C=C[C@H](C)[C@]2(C)C(=O)C2=C(O)[C@@H]([C@H](C)O)N(C)C2=O)C1 ZINC000238743639 FF Annotated Mild C=C1C[C@]2(C=O)C[C@H]1CC(=O)[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C(=O)O ZINC000238743758 FF Annotated Mild COC(=O)C1=C[C@]23C=C(C)CC[C@@H]2[C@]2(C)[C@H]1C(=O)[C@@H](C(C)C)C[C@]2(O)O3 ZINC000238744687 FF Annotated Anodyne O=C1CO[C@@H](Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 ZINC000238744739 FF Annotated Anodyne CC1=C2[C@H](C/C(C)=C/CC[C@@H](C)[C@@H]3CC[C@](C)(O3)[C@@H](O)[C@@H]2O)OC1=O ZINC000238744779 FF Annotated Anodyne CC1(C)[C@@H]2CO[C@]3(C)C(=O)[C@@]1(C)C1=C(C(=O)C[C@H](c4ccccc4)O1)[C@]23O ZINC000238744815 FF Annotated Mild COC[C@]1(O)CC[C@@H]2C1=C[C@@]1(C)CCC(C(C)C)=C1[C@H](O)[C@@H](O)[C@@H]2C ZINC000238744942 FF Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C=CCN4CC[C@@]5(c6ccccc6[N+](=O)[C@]15[C@H]2C)[C@@H]43 ZINC000238744980 FF Annotated Anodyne COC(=O)C[C@@]1(C)CC[C@]2(O1)C(C)=CC(=O)[C@@H]1[C@@](C)(O)CCC[C@]12C ZINC000238744988 FF Annotated Mild C=C1C(=O)O[C@]2(C)CC[C@H]1C[C@H]1O[C@@]1(C)C[C@@H](O)/C=C(\C)CC[C@H]2O ZINC000238745249 FF Annotated Mild C[C@]12C[C@H](c3ccoc3)OC(=O)[C@H]1[C@@H]1O[C@@H]1[C@@]13COC(=O)C1=CCC[C@@H]23 ZINC000238745357 FF Annotated Anodyne CO[C@H]1C[C@@H](C)[C@H]2C[C@H]3OC(=O)C[C@H]4C(C)=CC(=O)[C@@H]([C@@]2(C)C1=O)[C@]43C ZINC000238745566 FF Annotated Mild C[C@@H](CCC[C@]1(C)O[C@@H]1CC/C(=C\CO)CO)C(=O)/C=C/C(C)(C)O ZINC000238745671 FF Annotated Mild C=CC[C@]12C[C@H](OC)C(=O)[C@H]([C@@H]1O)[C@H](c1cc(OC)c3c(c1)OCO3)[C@H]2C ZINC000238745760 FF Annotated Mild CC[C@@]12CC(OC(C)=O)=C3Nc4ccccc4[C@@]34CCN(C[C@@H]3O[C@@H]31)[C@@H]24 ZINC000238745790 FF Annotated Anodyne C[C@]12C[C@@H](c3ccco3)OC(=O)[C@H]1C[C@H]1COC(=O)C3=CCC[C@@]2(O)[C@H]31 ZINC000238745882 FF Annotated Anodyne CO[C@]12CC[C@@H]3CN4C[C@@H](C)[C@H]5C[C@@H]4[C@]3(C)[C@]3(CCC(=C13)C(=O)C2)C5=O ZINC000238746012 FF Annotated Mild C/C(CC[C@@]1(C)C(=O)CC[C@@H](O)[C@]1(C)O)=C1/C[C@H](c2ccoc2)OC1=O ZINC000238746561 FF Annotated Anodyne C=C1C[C@]2(C=O)C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C(=O)O ZINC000238746805 FF Annotated Mild COc1c2cc(c(O)c1OC)C[C@@H](O)CCC(=O)CCc1ccc(O)c-2c1 ZINC000238746825 FF Annotated Anodyne COC(=O)C[C@]12C=CCN3CC[C@@H]4c5ccc(OC)cc5N[C@@]4(CC1)[C@@H]32 ZINC000238747036 FF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H]1C[C@H]2C(C=O)=COC[C@H]2[C@H](C3)N1C ZINC000238747083 FF Annotated Reactive C[C@]12C=CC=C[C@H]1C(=O)O[C@H]2C[C@]12O[C@@]1(C)C[C@@H](c1ccoc1)OC2=O ZINC000238747211 FF Annotated Anodyne COC[C@@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CCCC(C)(C)[C@H]1CO)COC3=O ZINC000238747226 FF Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC(=O)C(CCO)=C(C)[C@@H]3CC[C@@]12O ZINC000238747244 FF Annotated Mild COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O)c(OC)c4)O[C@H](O)[C@H]23)ccc1O ZINC000238747529 FF Annotated Anodyne CCC(=O)N1c2c(O)cccc2[C@]23CCN4CCC[C@@](CCO)(CC[C@@H]12)[C@H]43 ZINC000238747619 FF Annotated Anodyne COC(=O)C1=COC[C@H]2[C@@H]3Cc4c(n(C)c5ccccc45)[C@H](C[C@@H]12)N3C ZINC000238747651 FF Annotated Anodyne C=CC[C@]12C=C(OC)C(=O)[C@](OC)([C@H]1O)[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C ZINC000238747653 FF Annotated Mild C[C@H](/C=C\[C@H](CO)C(C)(C)O)[C@H]1CC[C@H]2C3=CC(=O)O[C@@]3(O)CC[C@@]21C ZINC000238747685 FF Annotated Anodyne COC(=O)n1c2c(c3ccccc31)CCN1C[C@@H]3[C@H](C)O[C@H](O)C[C@H]3C[C@@H]21 ZINC000238747793 FF Annotated Anodyne C/C(=C/C(=O)O/C1=C/C(C)=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@H]12)C(=O)CO ZINC000238747794 FF Annotated Mild CO[C@H]1C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4C(C)=CC(=O)[C@H]([C@@]2(C)[C@@H]1O)[C@]43C ZINC000238747960 FF Annotated Mild CC[C@H]1[C@@H]2CCN3CC[C@@]4(C(=C2C(=O)OC)Nc2c(OC)cccc24)[C@@H]13 ZINC000238748115 FF Annotated Anodyne Cc1c2c(cc3c1[C@H]1O[C@H]1C=C1C(=O)OC[C@@H]13)C(=O)O[C@H]2c1ccoc1 ZINC000238748281 FF Annotated Anodyne COc1cc([C@H]2Oc3cc4c(cc3O[C@H]2CO)CC=CO4)cc(OC)c1O ZINC000238748457 FF Annotated Anodyne CCCCO[C@H]1C[C@H]2CCN(C)[C@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@@H]12)OCO4 ZINC000238748826 FF Annotated Anodyne C/C=C1/CN2CC[C@]34C(=C(C(=O)OC)[C@@H]1C[C@H]23)Nc1c(OC)cccc14 ZINC000238748864 FF Annotated Anodyne CC[C@@H]1C[C@@H]2N3CC[C@]4(O)C(=Nc5ccccc54)[C@]2(C(=O)OC)C[C@@H]1C3 ZINC000238748928 FF Annotated Anodyne C[C@@H]1C[C@H](O)[C@@]23COC(=O)[C@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000238748950 FF Annotated Anodyne O[C@@H]1O[C@H](c2ccc3c(c2)OCO3)[C@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]12 ZINC000238749048 FF Annotated Anodyne CC(=O)OC1=C(C)C(=O)C(C)=C2O[C@]3(C)C(O)=C(C)C(=O)C(C)=C3O[C@@]12C ZINC000238749264 FF Annotated Mild COc1ccc2c(c1O)-c1c3c(c(OC)c4ccnc(c14)C2=O)OCO3 ZINC000238749321 FF Annotated Anodyne CC(=O)O[C@@H]1C/C=C(\C)C[C@@H](OC(C)=O)[C@@H]2[C@@H](/C=C/1C)OC(=O)[C@@H]2C ZINC000238749412 FF Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]2[C@]1(C)O ZINC000238749414 FF Annotated Mild COC(=O)[C@@H]1CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C[C@@H](O)[C@@]2(C=O)[C@@H]1C=O ZINC000238749540 FF Annotated Mild C[C@@H]1[C@H]2C[C@]34CO[C@H](O2)[C@]1(C[C@H](O)c1ccoc1)[C@H]3CCC=C4C(=O)O ZINC000238749900 FF Annotated Anodyne C=C1C[C@]23C[C@H]1CCC2=C1C=C[C@H](O)[C@@](C)(C(=O)OC)[C@H]1[C@@H]3C(=O)OC ZINC000238750176 FF Annotated Mild CC1=CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@@H](C)[C@@H]1[C@@H](OC(=O)CC(C)C)C[C@@]2(C)O ZINC000238750193 FF Annotated Anodyne Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](C)CC[C@H](O)[C@@]1(O)C2=O ZINC000238750394 FF Annotated Anodyne COc1cc2c(cc1OC)[C@H]([C@H]1OC(=O)c3c1ccc1c3OCO1)NCC2 ZINC000238750513 FF Annotated Anodyne CC1=CCC[C@H](C)[C@@]12CC[C@@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1O)C2 ZINC000238750624 FF Annotated Anodyne C/C=C1\[C@@H]2NCC[C@H]1[C@](CO)(C(=O)OC)C1=Nc3ccccc3[C@]12CC ZINC000238750672 FF Annotated Anodyne C[C@@H]1[C@@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(COC(=O)C1)O2 ZINC000238750822 FF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C(=O)C(CO)=C[C@@H](OC(=O)/C(C)=C\C)[C@H]1C(C)C ZINC000238751012 FF Annotated Mild CCO[C@H]1CO[C@@H](OC(=O)CC(C)(C)C)[C@@H]2[C@H](OC)[C@H](OC)C[C@@]21C ZINC000238751292 FF Annotated Anodyne C/C=C1/C[N+]2([O-])CC[C@@]34c5ccccc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@H]4C(=O)OC ZINC000238751339 FF Annotated Bother C/C=C1\CN2CC[C@@]34c5ccc(OC)cc5N(C)[C@H]3[C@@H]2C[C@H]1[C@H]4C(=O)OC ZINC000238751381 FF Annotated Anodyne Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](C)CC[C@H](O)[C@]1(O)C2=O ZINC000238751417 FF Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@H]3OC(=O)[C@@H]1[C@@]32C ZINC000238751436 FF Annotated Anodyne C/C=C(/C)[C@@]1(OC)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@H]3OC(=O)[C@@]1(C)[C@H]23 ZINC000238751502 FF Annotated Mild C[C@H]1C[C@H](O)[C@]23COC(=O)[C@@H]2CCC[C@H]3[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000238751647 FF Annotated Anodyne C[C@H]1C[C@H](O)[C@@]23COC(=O)[C@@H]2CCC[C@@H]3[C@]12C[C@@H](c1ccoc1)OC2=O ZINC000238751651 FF Annotated Anodyne C=C[C@@](C)(O)CC(=O)O[C@H]1[C@H]2CC(=O)C[C@H](C)[C@@]2(C)C[C@H](C(=C)C)[C@H]1O ZINC000238751654 FF Annotated Mild C[C@@H]1[C@@H]2c3cc4c(cc3O[C@]35OCOC3=CC(=O)[C@H](C[C@H]1C)[C@@H]25)OCO4 ZINC000238751669 FF Annotated Mild COc1cc2c(cc1OC)-c1c3c(c(OC)c4c1C(=NCC4)C2=O)OCO3 ZINC000238751715 FF Annotated Clean C[C@@H](O)C[C@H]1O[C@@H]1/C=C/C=C/c1cc2c(Cl)c(O)cc(O)c2c(=O)o1 ZINC000238751930 FF Annotated Anodyne O=C(O)CCCC#C/C=C/[C@@H](O)[C@@H](O)CC/C=C/C=C\Br ZINC000238751966 FF Annotated Mild O=C(O)CCCC#C/C=C/[C@H](O)[C@@H](O)CC/C=C/C=C\Br ZINC000238751979 FF Annotated Mild C=CC[C@@]12[C@H]3C(=O)C(OC)=C(OC)[C@@H]1OC[C@@H]2[C@H]3c1ccc2c(c1)OCO2 ZINC000238752309 FF Annotated Mild C[C@]12C[C@@H](c3ccoc3)OC(=O)[C@H]1C[C@H]1COC(=O)C3=CCC[C@@]2(O)[C@H]31 ZINC000238752427 FF Annotated Anodyne CC1=C[C@]23CC(=O)[C@@H]4[C@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@]36O)N1CCO[C@@H]15 ZINC000238752448 FF Annotated Anodyne C=C1CC[C@H](O)[C@]2(C)CC[C@H](C(=C)C(=O)O2)[C@@H](O)C[C@]2(C)CC[C@H]1O2 ZINC000238752715 FF Annotated Mild C=C1C(=O)O[C@H]2[C@H]1[C@H](OCC(C)C)C[C@@](C)(OO)[C@@H]1C(=O)C=C(C)[C@H]21 ZINC000238752751 FF Annotated Reactive CC[C@@]12CC[C@@]34CO[C@@]56CC[C@@H]3CN1C[C@]51[C@H](CC6)[C@H](C(=O)OC)C[C@]241 ZINC000238752875 FF Annotated Anodyne C[C@H]1C[C@H](O)[C@@]23COC(=O)[C@@H]2CCC[C@H]3[C@]12C[C@@H](c1ccoc1)OC2=O ZINC000238753066 FF Annotated Anodyne C[C@H](O)Cc1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000238753171 FF Annotated Clean C[C@H]1CC(=O)[C@@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000238753200 FF Annotated Anodyne CC(=O)OC/C(=C\CO)CC/C=C(/CC/C=C(\C)C=O)COC(C)=O ZINC000238753293 FF Annotated Reactive C/C=C1\C[N+](C)([O-])[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@@H]1[C@@H]2CO3 ZINC000238753470 FF Annotated Bother COc1ccc(/C=C2/c3cc4c(cc3CCN2C=O)OCO4)c(O)c1OC ZINC000238753504 FF Annotated Anodyne CCOC(=O)CC[C@H](COC(C)=O)c1ccc(OC(C)=O)c(OC)c1 ZINC000238753545 FF Annotated Anodyne COc1c(O)c2c(c(OC)c1OC)O[C@@H](c1ccccc1)[C@@H](OC)C2=O ZINC000238753588 FF Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CCC(COC(C)=O)=C1C[C@H](OC(=O)C(C)C)C(=C)[C@@H]12 ZINC000238753693 FF Annotated Mild CC1(C)[C@@H]2C[C@@]34CCCN3C(=O)[C@@]2(CC4=O)C[C@@]12Nc1ccccc1C2=O ZINC000238754379 FF Annotated Anodyne C[C@]1(c2ccoc2)C[C@@]2(C)[C@H](CC[C@@]34COC(=O)[C@@H]3C[C@@H]3O[C@@H]3[C@H]42)C(=O)O1 ZINC000238754433 FF Annotated Anodyne COc1cc(C)c2c(c1C=O)Oc1c3c(c(O)c(C)c1OC2=O)C(=O)OC3 ZINC000238754512 FF Annotated Anodyne CC1(C)Oc2c(-c3coc4cc(O)cc(O)c4c3=O)ccc(O)c2C[C@H]1O ZINC000238754749 FF Annotated Anodyne CC(=O)O[C@H]1/C=C(\C)CC[C@H]2O[C@@]2(C=O)C[C@@H](OC(C)=O)[C@@H]1C(C)C ZINC000238754971 FF Annotated Mild CN1[C@H]2Cc3cc4c(cc3[C@@H]2[C@H]2O[C@@H]1c1cc3c(cc12)OCO3)OCO4 ZINC000238755071 FF Annotated Anodyne C/C=C1/CN2CC[C@]34C(=Nc5c(OC)cccc53)[C@@H]2C[C@@H]1[C@H]4C(=O)OC ZINC000238755138 FF Annotated Anodyne CC(C)(O)[C@]1(O)C=C2C(=O)C[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1 ZINC000238755232 FF Annotated Mild C/C=C(/C)C(=O)O[C@H]1[C@H]2CC(=O)C[C@H](C)[C@@]2(C)C[C@H]([C@]2(C)CO2)[C@H]1O ZINC000238755306 FF Annotated Anodyne COC[C@@]1(O)CC[C@@H]2C1=C[C@@H]1C(=C(C(C)C)[C@H](O)[C@H]1C)C[C@H](O)[C@@H]2C ZINC000238755393 FF Annotated Anodyne COc1c(O)c2c(c3c1[C@@H](O)COC3=O)CC[C@H]1C(C)(C)C(=O)CC[C@]21C ZINC000238755535 FF Annotated Anodyne CO[C@@H]1OC[C@]2(C)CCC[C@]3(COC(=O)[C@@]45C[C@H](CC[C@H]43)[C@H](C)C5=O)[C@H]12 ZINC000238755538 FF Annotated Anodyne C=C1CC[C@H]2[C@]3(C=C(C(=O)OC)[C@@H]4C(=O)[C@@H](C(C)C)C[C@@](O)(O3)[C@@]42C)C1 ZINC000238755638 FF Annotated Mild CCO[C@@]1(OC)C(Br)=C[C@](O)(CC#N)C=C1Br ZINC000238755792 FF Annotated Mild CCO[C@@]1(OC)C(Br)=C[C@@](O)(CC#N)C=C1Br ZINC000238755806 FF 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)CO ZINC000238755861 FF Annotated Mild COC(=O)[C@@H]1C[C@]23CCCN4CC[C@]5(c6ccccc6[N+](C)([O-])[C@@]15CC2)[C@H]43 ZINC000238755938 FF Annotated Bother O=C1OC[C@@]23CC[C@H]4C(=O)O[C@@H]5O[C@H](c6ccoc6)C[C@@]54[C@H]2CCC=C13 ZINC000238756031 FF Annotated Anodyne CC(C)C1=C(O)C(=O)[C@]23O[C@]2(C(=O)C(O)=C2C(C)(C)CCC[C@]23C)C1=O ZINC000238756343 FF Annotated Mild C/C=C(/C)C(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(=O)/C(C)=C/C)[C@H]1C(C)C ZINC000238756411 FF Annotated Mild C[C@@]12C3=CCC[C@@H]1[C@@]1(C[C@@H](c4ccoc4)OC1=O)[C@@](C)(O)C[C@@H]2OC3=O ZINC000238756529 FF Annotated Anodyne COC(=O)[C@@H]1C[C@]23CCC[N+]4([O-])CC[C@]5(c6ccccc6N(C)[C@@]15CC2)[C@@H]34 ZINC000238756562 FF Annotated Bother C[C@H](CO)CCC[C@@H](C)C1=CC[C@]2(C)OC3=C(C[C@]12O)C(=O)[C@@H](O)CC3 ZINC000238756855 FF Annotated Mild C=C1[C@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1[C@@H]1C=C(C=O)C[C@@H](O)OO1 ZINC000238757012 FF Annotated Reactive C[C@]12CC(=O)[C@](C)(O)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@H]1CC[C@H]1O[C@]12C ZINC000238757142 FF Annotated Anodyne CC[C@@H](C)/C=C(C)\C=C\C(=O)C1=C(O)[C@H]([C@H](O)c2ccc(O)cc2)NC1=O ZINC000238757166 FF 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)CO ZINC000238757238 FF Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2CC(C(=O)OC)=C[C@]2(C)[C@H]1C(=O)OC ZINC000238757341 FF Annotated Anodyne CC(=O)N[C@@H](CSc1c([N+](=O)[O-])ccc(Cl)c1Cl)C(=O)O ZINC000238757392 FF Annotated Bother C/C=C(\C)C(=O)OCC1=C[C@H](OC(=O)/C(C)=C/C)[C@H](C(C)C)[C@@H](O)C1=O ZINC000238757423 FF Annotated Mild C=C1CC[C@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=C[C@H](OC)OC1=O ZINC000238757438 FF Annotated Mild CC(=O)O[C@H]1C/C(C)=C\C[C@@H](OC(C)=O)/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238757441 FF Annotated Anodyne COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@@H]1[C@@H](O)[C@H](O)[C@@H]1C(C)(C)CCC[C@]21C ZINC000238757700 FF Annotated Anodyne COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@]2(C)CO)ccc1O ZINC000238758091 FF Annotated Anodyne COc1ccc(C[C@]2(OC)Oc3c(ccc(OC)c3OC)C2=O)cc1OC ZINC000238758100 FF Annotated Anodyne Cc1c2c(cc3c1[C@H](c1ccoc1)OC3=O)[C@H]1COC(=O)C1=C[C@@H]1O[C@@H]21 ZINC000238758373 FF Annotated Anodyne C[C@H]1CN2C[C@@H]3CC[C@@H]4CCC=C4[C@]4(CCC(N)=O)[C@H]2[C@H]1CC[C@]34CO ZINC000238758579 FF Annotated Anodyne C/C=C(\C)C(=O)O[C@H](C1=C(C)C(=O)O[C@@H]1O)[C@@]1(C)C(C=O)=CCC[C@@H]1C ZINC000238758762 FF Annotated Reactive CO[C@H]1C[C@@H](C)[C@H]2C[C@H]3OC(=O)C[C@H]4C(C)=CC(=O)[C@H]([C@]43C)[C@@]2(C)[C@@H]1O ZINC000238758774 FF Annotated Mild C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H](O)[C@]1(C)CC[C@@H](O1)[C@]1(C)CC[C@H]2O1 ZINC000238758919 FF Annotated Mild C=C1CC[C@@H](O)[C@]2(C)C[C@@H](OC(=O)c3ccoc3)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12 ZINC000238759445 FF Annotated Mild CO[C@H]1O[C@@H](OC)C[C@H]2C[C@@]34O[C@H](CN3CCc3c4[nH]c4ccccc34)[C@@H]12 ZINC000238759470 FF Annotated Anodyne C/C=C1/CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@H]23)Nc1ccc(OC)cc14 ZINC000238759587 FF Annotated Anodyne COC(=O)[C@@]12CC[C@]3(C=CCN4CC[C@@]5(c6ccc(OC)cc6N[C@@H]51)[C@@H]43)C2 ZINC000238759732 FF Annotated Anodyne C=C1C[C@H](C[C@]2(C)O[C@H]2COc2ccc3ccc(=O)oc3c2OC)OC1=O ZINC000238759771 FF Annotated Mild CC(C)CCc1cc(O)cc2c1C(=O)C[C@@](O)(Cc1cc(O)cc(=O)o1)O2 ZINC000238759882 FF Annotated Anodyne COC(=O)[C@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N(C)[C@]15CC2)[C@@H]43 ZINC000238759904 FF Annotated Anodyne C[C@@]12CCC[C@@H](Oc3cc4c(c(O)c31)C(=O)c1c(O)cc(O)cc1C4=O)O2 ZINC000238760083 FF Annotated Clean CC[C@H]1CN(C)[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@@H]1[C@@H]2CO3 ZINC000238760192 FF Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@]2(C)CC(=O)[C@]3(C[C@H]2[C@]1(C)O)OC3(C)C ZINC000238760217 FF Annotated Anodyne COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4C(C)=C(O)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000238760557 FF Annotated Mild COc1cc2c3c4c1O[C@@]1(OC)C[C@]4(CC[C@@H]3[N+](C)([O-])CC2)CC[C@H]1O ZINC000238760904 FF Annotated Bother COC(=O)C1=CO[C@@H](C)[C@H](CO)[C@@H]1Cc1nccc2c1[nH]c1ccccc12 ZINC000238760930 FF Annotated Anodyne C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@H]([C@@]14C[C@@H](c1ccco1)OC4=O)[C@@]23CO ZINC000238761267 FF Annotated Anodyne C/C=C1\[C@H](CC(=O)OCCc2ccc(O)c(O)c2)C[C@H](OC)O[C@H]1OC ZINC000238761281 FF Annotated Clean COC(=O)[C@@H]1C[C@]23CCC[N+]4([O-])CC[C@]5(c6ccccc6N[C@@]15CC2)[C@@H]34 ZINC000238761344 FF Annotated Bother C=C1C[C@H]2OC(=O)[C@@H](C)[C@H]2C[C@@H]2[C@@H]1[C@@H](OC(=O)CC(C)C)C[C@@]2(C)O ZINC000238761457 FF Annotated Mild C/C=C1\CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@H]23)Nc1ccc(OC)cc14 ZINC000238761602 FF Annotated Anodyne CC(=O)O[C@H]1C/C(C)=C/C[C@@H](OC(C)=O)/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238761677 FF Annotated Anodyne COC(=O)C1=C[C@]23C=C(C)CC[C@@H]2[C@]2(C)[C@H]1C(=O)[C@@H](C(C)C)C[C@@]2(O)O3 ZINC000238761822 FF Annotated Anodyne C=CCC1=C[C@@]2(OC)[C@H](C)[C@@H](c3cc(OC)c4c(c3)OCO4)[C@@H](C1=O)[C@H]2O ZINC000238761828 FF Annotated Mild C#C/C=C\C[C@@H]1O[C@@H]2C[C@H]1O[C@H](CC)[C@@H](Br)C[C@H]2OC(C)=O ZINC000238761845 FF Annotated Reactive COc1cc2c(cc1O)[C@]13C[C@@H](OC)[C@H](OC(C)=O)C=C1CCN3CCC2 ZINC000238761846 FF Annotated Anodyne C#C/C=C/C[C@@H]1O[C@@H]2C[C@H]1O[C@H](CC)[C@@H](Br)C[C@H]2OC(C)=O ZINC000238761859 FF Annotated Reactive COC1=C(C)[C@@H]2CC(=O)O[C@@H]3C[C@@H]4[C@H](C)C=C(O)C(=O)[C@]4(C)[C@H](C1=O)[C@@]32C ZINC000238761861 FF Annotated Mild C/C=C1/CNCC[C@]23c4ccc(OC)cc4N(C)[C@H]2C=C[C@H]1[C@@H]3C(=O)OC ZINC000238761863 FF Annotated Anodyne COC(=O)[C@@H]1C[C@@]23CCC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@]15CC2)[C@H]34 ZINC000238762045 FF Annotated Bother O=c1c2ccccc2nc2n1CC[C@@]2(O)[C@H]1c2ccccc2N=C2CCCN21 ZINC000238762236 FF Annotated Anodyne COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4C(C)=C(O)C(=O)[C@@H]([C@@]2(C)C1=O)[C@@]34C ZINC000238762977 FF Annotated Mild C=C1C(=O)O[C@H]2[C@@H]1C[C@@H]1O[C@@]1(C)CC[C@@H]1O[C@@]1(C)CCC[C@H](C)[C@H]2O ZINC000238763058 FF Annotated Mild C/C=C1/CN2[C@H]3C[C@@H]1[C@@](C=O)(C(=O)OC)[C@@H]2Cc1c3n(C)c2ccccc12 ZINC000238763213 FF Annotated Mild C/C=C1/CN2C[C@H]3c4c([nH]c5ccccc45)[C@@H]2C[C@@H]1[C@]3(C=O)C(=O)OC ZINC000238763328 FF Annotated Mild C[C@]12CC[C@]3(C)[C@]4(C)O[C@@H]4C[C@H]4OC(=O)[C@@]1(C[C@@H](c1ccoc1)O2)[C@@]43O ZINC000238763608 FF Annotated Anodyne C[C@]12CCC[C@H]3C(=O)OC[C@]31C(=O)C=C[C@]21C[C@@H](c2ccoc2)OC1=O ZINC000238763777 FF Annotated Mild COc1ccc2c(c1OC)Oc1c3c(cc4c1C(=NCC4)[C@H]2O)OCO3 ZINC000238763882 FF Annotated Anodyne COc1cc([C@@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@]2(C)CO)ccc1O ZINC000238764057 FF Annotated Anodyne CC(C)CCc1cc(O)c2c(c1-c1cc(O)cc(=O)o1)C[C@@H](O)CC2=O ZINC000238764082 FF Annotated Anodyne C=C1CC[C@@H](O)[C@]2(C)CC[C@H](C(C)=O)[C@H](OC(=O)/C=C/C(C)(C)O)[C@@H]12 ZINC000238764229 FF Annotated Mild C/C(=C/C/C=C(\C)CO)C1=CC[C@@](C)(O)[C@H]1CC1=C(O)[C@H](O)CCC1=O ZINC000238764587 FF Annotated Mild CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C[C@H](C)C(=O)/C=C/[C@@H]1C ZINC000238764626 FF Annotated Mild COC(=O)[C@@]1(C)CCC[C@]2(CO)[C@H]3Cc4occc4[C@H](C)[C@@H]3C[C@@H](O)[C@@H]12 ZINC000238764727 FF Annotated Anodyne COC1=C[C@@H](C)[C@H]2C[C@H]3OC(=O)C[C@H]4C(C)=CC(=O)[C@@H]([C@@]2(C)C1=O)[C@]43C ZINC000238764889 FF Annotated Mild CC1=CCC[C@@H](C)[C@@]12CC[C@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2 ZINC000238765016 FF Annotated Anodyne COc1cc2c(cc1OC)[C@H]([C@@H](O)/C=C/c1ccc(O)cc1)[C@H](O)CC2 ZINC000238765099 FF Annotated Anodyne CC[C@@H]1C[C@@H]2N3CCc4c([nH]c5ccc(O)cc45)[C@]2(C(=O)OC)C[C@@H]1C3 ZINC000238765208 FF Annotated Anodyne CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3C2=C1C ZINC000238765290 FF Annotated Anodyne C=CC[C@@]12C=C(OC)[C@H](O)[C@@](OC)(C1=O)[C@H](c1ccc(O)c(OC)c1)[C@H]2C ZINC000238765478 FF Annotated Mild CC[C@H]1C[C@H]2CN3CC[C@@]4(O)C(=Nc5ccccc54)[C@](C(=O)OC)(C2)[C@H]13 ZINC000238765648 FF Annotated Anodyne COc1cc2c(cc1OC)C(=O)Cc1cc3c(cc1CN(C)CC2)OCO3 ZINC000238765704 FF Annotated Anodyne COC(=O)[C@H]1C[C@]23CCC[N+]4([O-])CC[C@]5(c6ccccc6N[C@@]15CC2)[C@@H]34 ZINC000238765745 FF Annotated Bother COc1cccc2c1N(C(C)=O)[C@@H]1CC[C@]3(CCO)CCCN4CC[C@@]21[C@@H]43 ZINC000238765823 FF Annotated Anodyne COc1cc(OC)c2c(c1)OC[C@@]1(Cc3ccc(OC)c(OC)c31)C2=O ZINC000238765824 FF Annotated Anodyne CC[C@@H]1OC(=O)[C@H](C)[C@@H](O)/C(C)=C\C(=O)C[C@@H](C)[C@H](O)/C(C)=C/[C@H]1C ZINC000238765882 FF Annotated Mild CC[C@H]1CN2[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2C[C@H]1C3=Nc2ccccc21 ZINC000238766395 FF Annotated Anodyne CC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O)[C@H](C)C[C@@H](C)C(=O)/C=C/C=C/[C@@H]1CO ZINC000238766428 FF Annotated Mild C/C1=C\CC[C@@H](C)[C@H]2CC[C@@](C)(O2)[C@H](O)[C@H]2OC(=O)[C@H](C)[C@H]2C(=O)C1 ZINC000238766564 FF Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CCC(COC(C)=O)=C1C[C@H](OC(=O)CC)C(=C)[C@@H]12 ZINC000238767223 FF Annotated Mild COc1ccc2c(c1)C(=O)[C@]13O[C@@]4(C)CC[C@H]([C@H]4C=C1C2=O)[C@@]3(C)C=O ZINC000238767327 FF Annotated Mild C[C@H]1OC=C2C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]2[C@@H]1C(=O)O ZINC000238767372 FF Annotated Anodyne COC(=O)c1ccccc1-n1c([C@@H]2CCC(=N)N2)nc2ccccc2c1=O ZINC000238767753 FF Annotated Anodyne O=C(O[C@H]1CCCO[C@]12CCCCO2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000238767876 FF Annotated Bother COc1cc(CCN(C)C)c2c(c1O)-c1c(ccc(OC)c1OC)C2=O ZINC000238768570 FF Annotated Anodyne C/C=C1\CO[C@@H](O)[C@]2(C(=O)OC)[C@H]1Cc1nccc3c4ccccc4n2c13 ZINC000238768872 FF Annotated Anodyne 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]1OO2 ZINC000238769115 FF Annotated Reactive C/C=C1/CN2[C@H]3C[C@@H]1[C@](OC)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12 ZINC000238769149 FF Annotated Anodyne COc1c(O)c2c(c3c1[C@@H](CO)OC3=O)CC[C@H]1C(C)(C)C(=O)CC[C@]21C ZINC000238769284 FF Annotated Anodyne COc1cc(C[C@@H]2COC[C@@H]2[C@H](O)c2ccc3c(c2)OCO3)ccc1O ZINC000238769309 FF Annotated Anodyne C[C@@H](CC[C@H](O)C(C)(C)O)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@H](O)CC3 ZINC000238769500 FF Annotated Mild CC(=O)O[C@H]1CC[C@]2(O)Cc3occ(C)c3[C@@H](OC(C)=O)[C@]2(C)[C@H]1C ZINC000238769590 FF Annotated Anodyne COC(=O)[C@@]12CCC[C@@]3(OC)C=CCN(CCc4c1[nH]c1ccccc41)[C@@H]32 ZINC000238769633 FF Annotated Anodyne COC(=O)[C@]12C=C[C@@H](O)[C@H]3[C@](CO)(CCc4ccoc4)[C@@H](C)CC[C@@]31C2 ZINC000238769665 FF Annotated Anodyne C[C@@H]1C[C@H](O)C(=O)C(C)(C)CC[C@@H]2O[C@]23C(=O)O[C@@H](c2ccoc2)C[C@@H]13 ZINC000238770350 FF Annotated Anodyne COC(=O)/C=C(\C)CC[C@]1(O)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@@]21C ZINC000238770531 FF Annotated Anodyne COc1cc2c(cc1OC)[C@H]([C@H](O)/C=C/c1ccc(O)cc1)[C@H](O)CC2 ZINC000238771055 FF Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccc(OC)cc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@@H]4C(=O)OC ZINC000238771253 FF Annotated Anodyne COc1ccc(O)cc1C1=C(O)[C@H](OC)c2c(cc(O)c(OC)c2O)O1 ZINC000238771346 FF Annotated Anodyne C[C@@H]1CN2C[C@H]3CC[C@@H]4CCC=C4[C@]45CCC(=O)OC[C@]34C[C@H](C1=O)[C@H]25 ZINC000238771365 FF Annotated Anodyne C=C1C[C@]23CC[C@H](C(C)(C)O)[C@@](C)(CCC(=O)OC)[C@@H]2C[C@H]1[C@H](O)C3=O ZINC000238771623 FF Annotated Mild C=C1C[C@]23CC[C@H](C(C)(C)O)[C@@](C)(CCC(=O)O)[C@@H]2C[C@H]1[C@H](O)C3=O ZINC000238771635 FF Annotated Mild CC1=C2CC[C@@](C)(O)/C=C\C[C@@](C)(O)[C@@H](O)CC/C(C)=C/[C@@H]2OC1=O ZINC000238771661 FF Annotated Anodyne CC1=C2CC[C@@](C)(O)/C=C\C[C@@](C)(O)[C@@H](O)CC/C(C)=C\[C@@H]2OC1=O ZINC000238771675 FF Annotated Anodyne CC1=C2CC[C@@](C)(O)/C=C/C[C@@](C)(O)[C@@H](O)CC/C(C)=C\[C@@H]2OC1=O ZINC000238771684 FF Annotated Anodyne CC1=C(CC[C@@]2(O)COC(=O)C2)[C@]2(C)CCCC(C)(C)[C@H]2[C@@H](O)C1=O ZINC000238771695 FF Annotated Mild COc1cc([C@]2(OC)C(=O)C=Cc3cccc(OC)c32)cc(OC)c1O ZINC000238771738 FF Annotated Mild CC[C@H]1CN2[C@H]3C[C@@H]1[C@](CO)(C(=O)OC)[C@@H]2C[C@H]1C3=Nc2ccccc21 ZINC000238771777 FF Annotated Anodyne CC1=C2[C@H](C/C(C)=C/CC[C@@H](C)[C@@H]3CC[C@](C)(O3)[C@H](O)[C@H]2O)OC1=O ZINC000238771799 FF Annotated Anodyne COC(=O)N1c2ccccc2[C@@]23CCN4CC=C[C@@]45CC[C@@]12[C@@H](C5)C(=O)O3 ZINC000238771818 FF Annotated Anodyne C=C1C[C@]23CC(=O)[C@H]4[C@]56CCC[C@@]4(C)[C@@H]4OCCN4[C@@H]5[C@H]2C[C@H]1C(=O)[C@H]36 ZINC000238772053 FF Annotated Mild C=CC[C@]12C=C(OC)[C@H](O)[C@](OC)(C1=O)[C@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000238772175 FF Annotated Mild CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2C[C@@H]1O ZINC000238772388 FF Annotated Mild CO[C@]1(C)CC[C@@H]2[C@H]([C@H]3[C@H]1CC[C@@]3(C)CNCCS(=O)(=O)O)C2(C)C ZINC000238772420 FF Annotated Anodyne CO[C@@]1(C)CC[C@@H]2[C@H]([C@H]3[C@@H]1CC[C@]3(C)CNCCS(=O)(=O)O)C2(C)C ZINC000238772426 FF Annotated Anodyne CC[C@@H]1C[C@@H]2N3CC(=O)c4c([nH]c5ccccc45)[C@]2(C(=O)OC)C[C@@H]1C3 ZINC000238772432 FF Annotated Anodyne CC(C)=C1C[C@H]2[C@](C)(O)[C@H](OC(=O)[C@@]3(C)O[C@H]3C)CC[C@]2(C)CC1=O ZINC000238772683 FF Annotated Mild COc1cc([C@@H]2CC(=O)c3c(cc(OC)c(OC)c3O)O2)c(O)cc1O ZINC000238772950 FF Annotated Anodyne C=C[C@]1(C)CC[C@H]2C(C)(C)[C@@H]3C=C(CC(=O)OC)[C@]2(OC3=O)[C@H]1C(=O)O ZINC000238773017 FF Annotated Mild CN1CCc2cc3c(cc2C(=O)CCc2cc4c(cc21)OCO4)OCO3 ZINC000238773074 FF Annotated Clean COc1cc2c(c(OC)c1OC)-c1cccc(=O)cc1[C@@H](N(C)C=O)CC2 ZINC000238773095 FF Annotated Anodyne C[C@H]1C[C@@]2(C)CC(C(=O)O)=CCC[C@H]2[C@]1(CO)CC/C(=C/CO)CO ZINC000238773284 FF Annotated Anodyne C=C1C[C@]23C[C@@]1(OC(C)=O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238773376 FF Annotated Mild CC(C)/C1=C/[C@@H](O)[C@]2(C)O[C@@H]2C[C@H](O)[C@]2(C)CCC=C(CC1)C(=O)O2 ZINC000238773433 FF Annotated Anodyne COc1cc2c(cc1O)[C@@H](O)[C@H](c1ccc(OC(C)=O)cc1OC)CO2 ZINC000238773477 FF Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1[C@]3(C=O)C[C@@]3(C)[C@@H](O)[C@@H]3CC(C)(C)C[C@]13O2 ZINC000238773657 FF Annotated Mild COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3=O ZINC000238773675 FF Annotated Mild C=C(C)[C@H]1CC=C(CCC[C@@H](C)CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)CC1 ZINC000238773877 FF Annotated Mild C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H](O)[C@@](C)(O)CC/C=C(\C)CCC2=O ZINC000238773912 FF Annotated Mild CC1=C2[C@@H](C/C(C)=C/CC[C@@H](C)[C@@H]3CC[C@](C)(O3)[C@@H](O)[C@@H]2O)OC1=O ZINC000238773920 FF Annotated Anodyne C=C1C[C@@H]2OC[C@H](COC)[C@H]2[C@H](OC(C)=O)/C=C(\C)CC[C@@H]1OC(C)=O ZINC000238773974 FF Annotated Mild CC[C@H]1C[C@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN([C@H]2O)[C@H]13 ZINC000238774031 FF Annotated Anodyne C/C=C1/CN2[C@H]3C[C@@H]1[C@@H](C(=O)OC)[C@@]1(C[C@H]2OC)C3=Nc2ccccc21 ZINC000238774136 FF Annotated Anodyne C/C=C1/CN2CC[C@@]34c5cc(OC)ccc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@H]4C(=O)OC ZINC000238774398 FF Annotated Clean C=C1C[C@]23C[C@@]1(OC(C)=O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238774448 FF Annotated Mild C[C@H](CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H](O)[C@]2(C)O)CC(=O)O ZINC000238774450 FF Annotated Anodyne C=C(C)[C@H](O)CC[C@]1(C)[C@@H](Cl)C[C@H](O)[C@]2(C)[C@@H]3C(=CC[C@@H]12)CO[C@H]3O ZINC000238774460 FF Annotated Reactive CC[C@H](C)CO[C@@H]1C[C@@H](CO)CC/C=C(\C)[C@@H](O)[C@H]2OC(=O)[C@H](C)[C@@H]21 ZINC000238774521 FF Annotated Anodyne CC[C@]12CC[C@@]3(CO)[C@H](CCC4=C5[C@H](CC4)[C@H](C(=O)OC)C[C@]513)CN2O ZINC000238774651 FF Annotated Anodyne CC[C@H]1C[C@@H](CO)C[C@@]2(C(=O)OC)c3[nH]c4ccccc4c3CCN[C@@H]12 ZINC000238774878 FF Annotated Anodyne CC1=CCC[C@H](C)[C@@]12CC[C@@H](C(C)(C)O[C@@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1O)C2 ZINC000238775049 FF Annotated Anodyne CC(=O)O[C@H]1C2=C(C(=O)OC2)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1OC(C)=O ZINC000238775127 FF Annotated Anodyne 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]1OO2 ZINC000238775128 FF Annotated Reactive CC(C)(O)C1=C[C@@]2(O)CC[C@H]3[C@@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1=O ZINC000238775135 FF Annotated Mild COC(=O)c1c(C)cc2c(c1OC)C(=O)c1c(OC)cc(OC)cc1C2=O ZINC000238775204 FF Annotated Clean C=C1C[C@]23CC(=O)[C@@H]4[C@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@]36O)N1CCO[C@@H]15 ZINC000238775664 FF Annotated Mild CC[C@H]1C[C@H]2CN3CC[C@]4(O)C(=Nc5ccccc54)[C@](C(=O)OC)(C2)[C@H]13 ZINC000238775740 FF Annotated Anodyne COc1c(Cl)ccc2c(=O)c3cc4c(c(O)c3oc12)[C@]1(O)C=CO[C@@H]1O4 ZINC000238775763 FF Annotated Bother C[C@@]12C[C@@H](c3ccco3)OC(=O)C1=CC[C@]1(C)[C@H]2C[C@H]2COC(=O)[C@@]21O ZINC000238775845 FF Annotated Anodyne C/C=C\[C@]12CCN3CC[C@]4(C(=Nc5ccccc54)[C@H]3C1)[C@@]2(C=O)C(=O)OC ZINC000238775967 FF Annotated Mild C/C=C1\C[C@H]2[C@H]3[C@H]4N(C)c5ccc(OC)cc5[C@@]4(CCN3C1)[C@@H]2C(=O)OC ZINC000238776375 FF Annotated Clean O=C1O[C@@H](Cc2cccc(C(=O)O)c2)C(c2cccc(C(=O)O)c2)=C1O ZINC000238776383 FF Annotated Anodyne C=C1C[C@]23CC(=O)[C@@H]4[C@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C(=O)[C@H]36)N1CCO[C@H]15 ZINC000238776478 FF Annotated Mild COC1=CC(=O)O[C@H](c2coc(/C(=C\c3ccc(Cl)[nH]3)CO)n2)[C@@H]1C ZINC000238776773 FF Annotated Anodyne C[C@]12O[C@H]1C[C@@]1(C)[C@@]3(CC[C@@]1(C)C(=O)O3)[C@@]21C[C@H](c2ccoc2)OC1=O ZINC000238776844 FF Annotated Anodyne CC(=O)OC/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2C[C@H](OC(C)=O)/C(C)=C/CC1 ZINC000238776997 FF Annotated Anodyne COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@]3(C)N(C)C[C@@H]2O ZINC000238777007 FF Annotated Anodyne CC[C@@]12c3c4c5ccccc5n3[C@@](O)(C(=O)OC)C[C@@H]1CCCN2CC4 ZINC000238777101 FF Annotated Anodyne CC(C)=CC(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]2[C@]1(C)O ZINC000238777107 FF Annotated Mild COC(=O)C1=C[C@]23C[C@@H](C)CC[C@@H]2[C@@]2(C)C(=O)C[C@H](C(C)C)[C@@](O)(O3)[C@@H]12 ZINC000238777230 FF Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C=C(CO)CC[C@]2(O)[C@H](C(C)C)CC(=O)[C@]12C ZINC000238777319 FF Annotated Anodyne C[C@]1(CO)C=Cc2c(cc3c(c2O)C(=O)[C@@H](c2ccc(O)cc2)CO3)O1 ZINC000238777482 FF Annotated Anodyne C=C1C(=O)O[C@H]2[C@@H]1C[C@H]1O[C@@H]2[C@@H](C)CCC[C@@](C)(O)/C=C\C[C@]1(C)O ZINC000238777731 FF Annotated Mild CC(=O)CC[C@H]1C(C)(C)CCC[C@]1(C)[C@@]1(O)CC[C@](C)([C@H](O)CO)O1 ZINC000238777968 FF Annotated Anodyne C[C@@H]1C[C@@H](O)[C@@]2(C)[C@@]3(CC[C@@]2(C)C(=O)O3)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000238778361 FF Annotated Anodyne C=C1C[C@]2(C=O)C[C@H]1C(=O)C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C(=O)O ZINC000238778387 FF Annotated Mild C#C/C=C/C[C@H]1O[C@@H]2C[C@H]1O[C@H](CC)[C@@H](Br)C[C@H]2OC(C)=O ZINC000238778440 FF Annotated Reactive CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2[C@@H](C=O)/C1=C(\C=O)C(=O)O ZINC000238778507 FF Annotated Reactive C=C1C(=O)O[C@H]2[C@H]1CCC(COC(=O)C(C)C)=C1C[C@H](OC(C)=O)C(=C)[C@@H]12 ZINC000238778610 FF Annotated Mild COC(=O)C[C@@]12CCCN3CC[C@@]4(c5ccccc5N(C(C)=O)[C@H]4CC1)[C@H]32 ZINC000238778613 FF Annotated Anodyne COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@H]3/[N+](=C/O)CC2)OCO4 ZINC000238778702 FF Annotated Anodyne CC1=C[C@H](OC(=O)c2ccccc2)[C@@H]2[C@](C)(CC[C@@]2(O)C(C)C)[C@@H](O)C1=O ZINC000238778930 FF Annotated Mild C=C(C)[C@H](O)C[C@H]1C(O)=CC(OC)=C(C(=O)/C=C/c2ccc(O)cc2)[C@@H]1O ZINC000238779132 FF Annotated Mild CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@H]2[C@H](C=O)/C1=C(\C=O)C(=O)O ZINC000238779151 FF Annotated Reactive CCCCCC(=O)O[C@H]1CCN2C[C@H]3C[C@H](CN4C(=O)CCC[C@@H]34)[C@H]2C1 ZINC000238779211 FF Annotated Anodyne CC1(C)C[C@H]([C@]2(Cl)CC[C@](O)(CO)[C@H]3O[C@H]32)CC[C@@H]1Br ZINC000238779225 FF Annotated Reactive C/C=C1\CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@H]23)Nc1cc(OC)ccc14 ZINC000238779349 FF Annotated Anodyne C=C1C(=O)O[C@H]2[C@@H]1C[C@@H]1O[C@@]1(C)C/C=C\[C@](C)(O)CCC[C@H](C)[C@H]2O ZINC000238779354 FF Annotated Mild COc1cccc2c1N(C(C)=O)[C@@H]1CC[C@@]3(CC=O)CCCN4CC[C@@]21[C@H]43 ZINC000238779372 FF Annotated Mild C[C@@H]1C[C@H]2OC(=O)C3=CCC[C@@H]([C@@]14C[C@@H](c1ccoc1)OC4=O)[C@]32CO ZINC000238779480 FF Annotated Anodyne CO[C@H]1C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4C(C)=CC(=O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000238779592 FF Annotated Mild CC(=O)O[C@@H]1C[C@H]2[C@@H](C=C1C)/C(=C(\C)COC=O)C[C@@H](OC(C)=O)[C@@H]2C ZINC000238779593 FF Annotated Anodyne C=CC[C@]12C=C(OC)[C@@H](O)[C@](OC)(C1=O)[C@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000238779825 FF Annotated Mild COc1ccc([C@@H]2Oc3c(O)cc(/C=C\C=O)cc3[C@@H]2CO)cc1OC ZINC000238779934 FF Annotated Reactive CC[C@@H](C)/C=C(C)/C=C/C(=O)C1=C(O)[C@H]([C@H](O)c2ccc(O)cc2)NC1=O ZINC000238780011 FF Annotated Mild COC(=O)C1=CO[C@H](C)[C@H]2CN3CC[C@@H]4c5ccccc5N[C@@H]4[C@H]3C[C@H]12 ZINC000238780143 FF Annotated Anodyne CC1(C)Oc2c(O)cc(/C=C/C(=O)c3ccc(O)cc3O)cc2C[C@@H]1O ZINC000238780537 FF Annotated Mild C[C@H]1C[C@@H](O)[C@]23COC(=O)[C@@H]2CCC[C@@H]3[C@]12C[C@@H](c1ccoc1)OC2=O ZINC000238780746 FF Annotated Anodyne CC[C@H]1C[C@@H]2C[C@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN(C2=O)[C@@H]13 ZINC000238780918 FF Annotated Anodyne C=C(CC[C@@H]1CCC2=C(C(=O)O[C@H]2O)C1(C)C)C[C@H](O)/C=C(/C)CO ZINC000238780997 FF Annotated Mild C/C=C\[C@H]1[C@H]2C(=O)c3c(O)c(C)c(O)c(C)c3[C@]1(C(=O)O)C(=O)C=C2C ZINC000238781380 FF Annotated Mild O=C(CI)/C(Br)=C/Br ZINC000238781799 FF Annotated Reactive COc1cc(O)cc([C@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@@H]2CO)c1 ZINC000238781921 FF Annotated Reactive COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@H]4c5ccccc5N[C@H]4[C@H]3C[C@H]12 ZINC000238782022 FF Annotated Anodyne COc1cc(O)cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)c1 ZINC000238782055 FF Annotated Anodyne C[C@@H]1C[C@H](O)[C@]2(CO)[C@H](CCC[C@]23CO3)[C@@]1(C)C[C@H](O)c1ccoc1 ZINC000238782224 FF Annotated Anodyne CC[C@@H]1C[C@@H]2N3C[C@H]1C[C@@]2(C(=O)OC)c1[nH]c2ccccc2c1CC3=O ZINC000238782485 FF Annotated Anodyne CC(C)CC(=O)NC(=O)c1coc(/C=C/CC/C=C/C=C/C(=O)O)cc1=O ZINC000238782624 FF Annotated Anodyne C[C@@H](CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@@H](O)[C@]2(C)O)CC(=O)O ZINC000238782759 FF Annotated Anodyne C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@@H]([C@@]14C[C@@H](c1ccoc1)OC4=O)[C@@]23CO ZINC000238782770 FF Annotated Anodyne C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)O[C@@](C)([C@@H](O)CO)CC[C@H]21 ZINC000238782862 FF Annotated Anodyne C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@H]4[C@H](OC)OC[C@]234)[C@@H]1O ZINC000238782925 FF Annotated Mild CC1=C(C[C@@H]2OC(=O)C3=CCC[C@@H](O)[C@@]32C)C(=O)O[C@H](c2ccoc2)C1 ZINC000238782972 FF Annotated Anodyne COC1=C[C@@H](C)[C@H]2C[C@H]3OC(=O)C[C@H]4C(C)=C(O)C(=O)[C@@H]([C@@]2(C)C1=O)[C@@]34C ZINC000238782994 FF Annotated Mild CC[C@]12C=CCN3CC[C@@]4(C5=C(NC4=C(C(=O)OC)C1)C(O)=CCC5)[C@@H]32 ZINC000238783013 FF Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)[C@@](C)(O)CC/C=C(/C)CC[C@@H]2O ZINC000238783115 FF Annotated Mild C/C(CC[C@@]1(C)C(=O)CC[C@@H](O)[C@]1(C)O)=C1/C[C@@H](c2ccoc2)OC1=O ZINC000238783128 FF Annotated Anodyne C=C1C[C@]23CC(=O)[C@@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@]36O)N1CCO[C@H]15 ZINC000238783213 FF Annotated Mild C/C(=C\CC[C@H](C)C1=CC[C@@](C)(O)[C@@H]1CC1=C(O)[C@@H](O)CCC1=O)CO ZINC000238783348 FF Annotated Mild C/C=C1/CN2CC[C@]34C(=Nc5cc(OC)ccc53)[C@@H]2C[C@@H]1[C@H]4C(=O)OC ZINC000238783709 FF Annotated Anodyne COc1cc(OC)cc([C@@H](O)[C@H]2COC[C@@H]2Cc2ccc(O)c(O)c2)c1 ZINC000238783713 FF Annotated Clean C=C1C(=O)O[C@H]2C[C@H]1CC[C@@](C)(O)C(=O)CC/C(C)=C/CC[C@@]2(C)O ZINC000238783997 FF Annotated Mild C=C1C(=O)O[C@H]2C[C@H]1CC[C@@](C)(O)C(=O)CC/C(C)=C\CC[C@@]2(C)O ZINC000238784001 FF Annotated Mild CC(C)[C@@]1(O)/C=C/[C@](C)(O)CC[C@@H](O)[C@]2(C)CCC=C(CC1)C(=O)O2 ZINC000238784066 FF Annotated Anodyne COc1cc([C@@H]2Oc3c(OC)ccc(/C=C/C=O)c3[C@H]2CO)ccc1O ZINC000238784306 FF Annotated Reactive COc1cccc2c1N(C=O)[C@@H]1CC[C@@]34CCCN5CC[C@@]21[C@]53OCC4 ZINC000238784434 FF Annotated Anodyne C/C=C\C[C@H](C)C[C@H](C)/C(O)=C1\C(=O)N[C@H]([C@H](O)c2ccc(O)cc2)C1=O ZINC000238784570 FF Annotated Mild C/C=C/C[C@H](C)C[C@H](C)/C(O)=C1\C(=O)N[C@H]([C@H](O)c2ccc(O)cc2)C1=O ZINC000238784573 FF Annotated Mild C/C=C\C[C@H](C)C[C@H](C)/C(O)=C1/C(=O)N[C@H]([C@H](O)c2ccc(O)cc2)C1=O ZINC000238784577 FF Annotated Mild C/C=C/C[C@H](C)C[C@H](C)/C(O)=C1/C(=O)N[C@H]([C@H](O)c2ccc(O)cc2)C1=O ZINC000238784580 FF Annotated Mild O=C(O)C1=C[C@@H](O)[C@@H]2C[C@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 ZINC000238784941 FF Annotated Anodyne CC(C)(O)[C@H]1CC[C@@]23CC[C@@H](C[C@H]2[C@]1(C)CCC(=O)O)[C@](O)(CO)C3 ZINC000238785162 FF Annotated Anodyne COc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c(=O)n1CC2 ZINC000238785184 FF Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1nccc3c(OC)c4c(c-2c13)OCO4 ZINC000238785277 FF Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@@H]3OC(=O)[C@H]1[C@]23C ZINC000238785639 FF Annotated Anodyne C/C=C/[C@]12CCN3CC[C@]4(C(=Nc5ccccc54)[C@H]3C1)[C@@]2(C=O)C(=O)OC ZINC000238785654 FF Annotated Mild CC[C@@H](C)/C=C(C)/C=C\C(=O)C1=C(O)[C@H]([C@H](O)c2ccc(O)cc2)NC1=O ZINC000238785814 FF Annotated Mild COc1cc([C@@H]2Oc3c(OC)cc(/C=C\C(=O)O)cc3[C@@H]2CO)ccc1O ZINC000238785815 FF Annotated Anodyne CC[C@@H](C)/C=C(C)\C=C/C(=O)C1=C(O)[C@H]([C@H](O)c2ccc(O)cc2)NC1=O ZINC000238785816 FF Annotated Mild C[C@@]12[C@H]3C[C@@](C)(O)[C@]45C[C@H](c6ccoc6)O[C@H]4O[C@@H](CC[C@H]15)[C@@H]2C(=O)O3 ZINC000238785878 FF Annotated Anodyne C=C(CC[C@@H]1CCC2=C(C(=O)O[C@@H]2O)C1(C)C)C[C@H](O)/C=C(/C)CO ZINC000238785903 FF Annotated Mild Cc1c(O)cc2c3c1OC(C)(C)[C@@]1(O)OC4=CC(=O)C(O)=C(CC2)C4=C31 ZINC000238786240 FF Annotated Mild COc1ccc2c(c1O)-c1c(O)c(OC)cc(CC[N+](C)(C)C)c1C2=O ZINC000238786257 FF Annotated Bother C=CC[C@](C)(O)[C@]12O[C@@H]3CCC(C)(C)[C@H]1[C@@H](C)OC(=O)[C@@H]3OC2(C)C ZINC000238786354 FF Annotated Mild CC(C)CC(=O)NC(=O)c1c[nH]c(/C=C/CC/C=C/C=C/C(=O)O)cc1=O ZINC000238786403 FF Annotated Anodyne CC[C@@H]1[C@H]2CCN3CC[C@@]4(C(=C2C(=O)OC)Nc2cc(OC)ccc24)[C@@H]13 ZINC000238786482 FF Annotated Anodyne CC[C@]12C=CCN3C[C@@H](OC)[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 ZINC000238786501 FF Annotated Anodyne C/C1=C/CC[C@@](C)(O)[C@H](O)C[C@@H]2CC[C@](C)(OC(=O)[C@H]2C)[C@H](O)CC1 ZINC000238786506 FF Annotated Anodyne C/C1=C\CC[C@@](C)(O)[C@H](O)C[C@@H]2CC[C@](C)(OC(=O)[C@H]2C)[C@H](O)CC1 ZINC000238786507 FF Annotated Anodyne CC[C@@H]1C[C@@]2(CC)O/C(=C/C(=O)OC)[C@@]3(CC)OO[C@H]([C@@H](C)O)[C@@H]1[C@H]32 ZINC000238786548 FF Annotated Reactive C=CCCCC/C=C/[C@H](O)CC#CC#C[C@@H](Cl)[C@@H](O)COC(C)=O ZINC000238786549 FF Annotated Reactive Cc1c(O)c(C(=O)O)c(O)c2c1[C@H](C)[C@@H](C)O[C@@H]2CC(=O)CC(C)(C)O ZINC000238786819 FF Annotated Anodyne CC(C)[C@@]1(O)/C=C/[C@](C)(O)CCC(=O)[C@]2(C)CCC=C(CC1)C(=O)O2 ZINC000238786899 FF Annotated Anodyne C=C1O[C@@H]2C[C@]3(C)[C@@H]([C@@H](OC(=O)/C(C)=C\C)[C@H]2C1=C)[C@](C)(O)CC[C@H]3O ZINC000238786928 FF Annotated Mild CO[C@@]12C[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)C(C)(C)CCC[C@]34C)[C@@H](C)C1=CC(=O)O2 ZINC000238786938 FF Annotated Anodyne C/C=C1\C[C@H]2C[C@@]34N(C)c5ccccc5[C@@]3(CC[N+]4([O-])C1)[C@@H]2C(=O)OC ZINC000238787135 FF Annotated Bother C=C(C=O)[C@H]1CC2=C([C@H](OC(C)=O)C1)[C@@]1(CCCC(C)(C)C1=O)COC2=O ZINC000238788248 FF Annotated Reactive CCCCO[C@@]1(C)C[C@H]2C(=O)c3c(O)c(OC)cc(O)c3C(=O)[C@@H]2CO1 ZINC000238788438 FF Annotated Clean CC[C@H](Br)[C@@H]1C[C@H](Br)[C@H]2C[C@H](O2)[C@@H](CC=O)O1 ZINC000238788493 FF Annotated Reactive CC(C)/C1=C/[C@@H](O)[C@](C)(O)CC[C@@H](O)[C@]2(C)CCC=C(CC1)C(=O)O2 ZINC000238788562 FF Annotated Anodyne O=S(=O)(O)c1ccc(Cc2cnc(Cc3ccc(O)cc3)cn2)cc1 ZINC000238788576 FF Annotated Anodyne COC(=O)[C@H]1C[C@@]23C=CCN4CC[C@@]5(c6ccccc6N(C)[C@]15[C@@H]2C)[C@@H]43 ZINC000238788796 FF Annotated Anodyne CC1=C2CC[C@](C)(O)[C@H]3CC[C@](C)(O)[C@@H](CC/C(C)=C/[C@H]2OC1=O)O3 ZINC000238788883 FF Annotated Anodyne CC(=O)C1=COC[C@H]2[C@@H]3Cc4c(n(C)c5ccc(O)cc45)[C@H](C[C@@H]12)N3C ZINC000238788903 FF Annotated Mild CCCCO[C@]1(C)Cc2oc3cc(O)c(O)c(C(=O)O)c3c(=O)c2CO1 ZINC000238788949 FF Annotated Clean COC(=O)[C@@]1(O)C2=C(C(=O)C[C@H]3C(C)(C)CCC[C@]23C)C(=O)[C@@H]1C(C)C ZINC000238789577 FF Annotated Mild C/C(=C/C(=O)O)CC[C@@]1(C)[C@H](C)CC[C@@]2(O)[C@@H]1C[C@@H](O)[C@@H](O)C2(C)C ZINC000238789597 FF Annotated Anodyne C/C(=C\C(=O)O)CC[C@@]1(C)[C@H](C)CC[C@@]2(O)[C@@H]1C[C@@H](O)[C@@H](O)C2(C)C ZINC000238789598 FF Annotated Anodyne COc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)NCc2ccco2)cc1 ZINC000245230316 FF Annotated Anodyne COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)NCc2ccco2)cc1 ZINC000245230317 FF Annotated Anodyne C[C@@H]1CCCN(C(=O)CN2[C@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)C1 ZINC000247907754 FF Annotated Anodyne C[C@H]1CCCN(C(=O)CN2[C@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)C1 ZINC000247907759 FF Annotated Anodyne CC(C)N1CCC(N2CCN(C3CCCCCC3)C[C@H]2CCO)CC1 ZINC000248014170 FF Annotated Anodyne COc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)OC[C@H]2CCCO2)cc1 ZINC000248142940 FF Annotated Anodyne COc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)OC[C@H]2CCCO2)cc1 ZINC000248142947 FF Annotated Anodyne CCOC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCC[C@H](C)[C@H]2C)cn1C ZINC000248318815 FF Annotated Anodyne CCOC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCC[C@@H](C)[C@H]2C)cn1C ZINC000248318816 FF Annotated Anodyne CCCCNC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000249905193 FF Annotated Anodyne Cc1cc(C)c(-n2nnnc2SCC(=O)N2CCC[C@@H](C)C2)c(C)c1 ZINC000002501464 FF Annotated Anodyne Cc1cc(C)c(-n2nnnc2SCC(=O)N2CCC[C@H](C)C2)c(C)c1 ZINC000002501465 FF Annotated Anodyne CN1CCc2cc3c(cc2[C@@H]1[C@H]1OCc2c1ccc1c2OCO1)OCO3 ZINC000002564853 FF Annotated Anodyne CC[C@@H](C)NC(=O)CCS(=O)(=O)c1ccc(Br)s1 ZINC000002602312 FF Annotated Anodyne CC[C@H](C)NC(=O)CCS(=O)(=O)c1ccc(Br)s1 ZINC000002602313 FF Annotated Anodyne COc1cc(C(=O)NC2=NCCS2)ccc1OCc1c(C)noc1C ZINC000002627826 FF Annotated Anodyne Cc1ccc(OCCN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)cc1 ZINC000002663826 FF Annotated Anodyne Cc1ccc(OCCN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)cc1 ZINC000002663827 FF Annotated Anodyne Cc1ccc(S(=O)(=O)[C@H]2C(=O)N(C)[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 ZINC000002716074 FF Annotated Anodyne COc1ccc(S(=O)(=O)n2cc(-c3ccc(C)cc3)c(N)n2)c(OC)c1 ZINC000002861637 FF Annotated Anodyne COc1cc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)c(OC)cc1Cl ZINC000002904102 FF Annotated Anodyne CCCCNC(=O)c1sc2nc(C)nc(N3CCN(C)CC3)c2c1C ZINC000002912104 FF Annotated Anodyne CCn1c(SCc2cc(=O)n3ccccc3n2)nc2ccsc2c1=O ZINC000002925194 FF Annotated Anodyne CCN(CCCNC(=O)Cn1c(=O)oc2ccccc21)c1cccc(C)c1 ZINC000002927561 FF Annotated Anodyne Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCCCN2CCC[C@@H](C)C2)cc1 ZINC000002948574 FF Annotated Anodyne COc1cccc2cc(-c3csc(NC(=O)CCC(=O)O)n3)c(=O)oc12 ZINC000002956407 FF Annotated Anodyne CCOC(=O)c1sc(=S)n2c1nc(O)c1ccc(C(=O)OC)cc12 ZINC000002956433 FF Annotated Anodyne aggregator O=C([C@H]1CCC(=O)N1C1CCCCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000002966714 FF Annotated Anodyne O=C([C@@H]1CCC(=O)N1C1CCCCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000002966716 FF Annotated Anodyne COc1cc([C@@H]2N(c3ccccn3)C(=O)[C@@H]3CCCN32)cc(OC)c1OC ZINC000250276322 FF Annotated Anodyne COc1cc(OC)c([C@@H]2N(c3ccccn3)C(=O)[C@@H]3CCCN32)cc1OC ZINC000250276531 FF Annotated Anodyne CCOc1ccc([C@@H]2N(c3cc(C)on3)C(=O)[C@@H]3CCCN32)cc1OC ZINC000250504417 FF Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)NC[C@H]2CCCO2)[C@H]1c1cccs1 ZINC000250620915 FF Annotated Anodyne CC(C)(C)NC(=O)[C@H]1C(=O)CN[C@@]23CCCC[C@H]2[C@H]1c1ccccc1O3 ZINC000250687226 FF Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1C(=O)CN[C@@]23CCCC[C@@H]2[C@H]1c1ccccc1O3 ZINC000250687231 FF Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1C(=O)CN[C@@]23CCCC[C@H]2[C@H]1c1ccccc1O3 ZINC000250687235 FF Annotated Anodyne CC(C)(C)NC(=O)[C@H]1C(=O)CN[C@@]23CCCC[C@@H]2[C@H]1c1ccccc1O3 ZINC000250687240 FF Annotated Anodyne COc1cc([C@@H]2N(c3cc(C)on3)C(=O)[C@@H]3CCCN32)cc(OC)c1OC ZINC000250955880 FF Annotated Anodyne COc1cc(OC)c([C@@H]2N(c3cc(C)on3)C(=O)[C@@H]3CCCN32)cc1OC ZINC000250969323 FF Annotated Anodyne CCN(CC)c1ccc(NC(=O)N2[C@H](C(N)=O)C[C@H]3CCCC[C@H]32)cn1 ZINC000252452367 FF Annotated Anodyne CCN(CC)c1ccc(NC(=O)N2[C@H](C(N)=O)C[C@@H]3CCCC[C@H]32)cn1 ZINC000252452368 FF Annotated Anodyne C/C=C/C[C@H](C)C[C@H](C)C(=O)C1=C(O)[C@@H]([C@H](O)c2ccc(O)cc2)NC1=O ZINC000253389749 FF Annotated Anodyne C[C@@H]1CC[C@](C)(N=Nc2ccccc2C(=O)O)c2ncc(C(=O)O)c(=O)n21 ZINC000253632394 FF Annotated Clean C[C@@H]1CC[C@@](C)(N=Nc2ccccc2C(=O)O)c2ncc(C(=O)O)c(=O)n21 ZINC000253632395 FF Annotated Clean C[C@H]1CC[C@@](C)(N=Nc2ccccc2C(=O)O)c2ncc(C(=O)O)c(=O)n21 ZINC000253632396 FF Annotated Clean C[C@H]1CC[C@](C)(N=Nc2ccccc2C(=O)O)c2ncc(C(=O)O)c(=O)n21 ZINC000253632397 FF Annotated Clean CC(=O)O[C@]1(C)CC[C@H]2C[C@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 ZINC000253632832 FF Annotated Reactive CC(=O)O[C@]1(C)CC[C@H]2C[C@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000253632834 FF Annotated Reactive CC(=O)O[C@@]1(C)CC[C@H]2C[C@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000253632835 FF Annotated Reactive CC(=O)O[C@@]1(C)CC[C@H]2C[C@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 ZINC000253632837 FF Annotated Reactive C[C@H]1CCC(N=Nc2ccccc2C(=O)O)=C2N(C)C=C(C(=O)O)C(=O)N21 ZINC000253635471 FF Annotated Clean C[C@@H]1CCC(N=Nc2ccccc2C(=O)O)=C2N(C)C=C(C(=O)O)C(=O)N21 ZINC000253635473 FF Annotated Clean Oc1nc(=Cc2ccc(Cl)cc2)c(O)nc1=Cc1ccc(Cl)cc1 ZINC000253636723 FF Annotated Anodyne N=C(N)SCCO[C@@H]1CC[C@@H]([C@H]2CC[C@@](O)(CC(=O)O)CC2)CC1 ZINC000253638762 FF Annotated Anodyne CC(=O)OCC[S@](=O)C[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 ZINC000253640596 FF Annotated Anodyne O=C(O)CCCCC(=O)O[C@]12CCCC[C@@H]1[C@@H]1CCCC[C@]1(O)OO2 ZINC000253664712 FF Annotated Reactive O=C(O)CCCCC(=O)O[C@]12CCCC[C@@H]1[C@H]1CCCC[C@@]1(O)OO2 ZINC000253664717 FF Annotated Reactive C[N@+]1([O-])CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3 ZINC000253664747 FF Annotated Bother C[N@@+]1([O-])CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3 ZINC000253664755 FF Annotated Bother C[C@]1(COC2=C[C@@H]3Oc4ccccc4C(=O)[C@H]3C(OC[C@]3(C)CO3)=C2)CO1 ZINC000253669997 FF Annotated Anodyne C[C@]1(COC2=C[C@@H]3Oc4ccccc4C(=O)[C@H]3C(OC[C@@]3(C)CO3)=C2)CO1 ZINC000253670000 FF Annotated Anodyne N=C(N)SCCO[C@@H]1CC[C@@H]([C@@H]2CC[C@@](O)(CC(=O)O)CC2)CC1 ZINC000253683257 FF Annotated Anodyne CNC[C@H](Cc1ccc(O)cc1)N1CCN(CC[C@H]2C[C@H]3CC[C@H]2C3)CC1 ZINC000253685321 FF Annotated Anodyne CNC[C@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@H]3CC[C@H]2C3)CC1 ZINC000253685333 FF Annotated Anodyne COc1ccc([C@@H]2c3cc4c(cc3N[C@H]3COC(=O)[C@H]32)OCO4)cc1OC ZINC000253782955 FF Annotated Anodyne CC[C@]12CCC[N@+]3([O-])CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@H]23 ZINC000253867342 FF Annotated Bother CC[C@]12CCC[N@@+]3([O-])CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@H]23 ZINC000253867344 FF Annotated Bother Oc1nc(=Cc2c[nH]c3ccccc23)c(O)nc1=Cc1c[nH]c2ccccc12 ZINC000253896634 FF Annotated Anodyne O=C(CNC(=O)c1cccs1)N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12 ZINC000253915995 FF Annotated Clean COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@@H]3N=CNC(=O)[C@H]32)cc1 ZINC000253917085 FF Annotated Anodyne COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@H]3NC(=O)N=C(N)[C@H]32)cc1 ZINC000253917684 FF Annotated Anodyne COc1ccc([C@@H]2c3ccc(O)cc3O[C@H]3NC(=S)NC(=S)[C@H]32)cc1 ZINC000253917762 FF Annotated Anodyne COc1ccc([C@@H]2c3ccccc3O[C@H]3NC(=S)NC(=S)[C@H]32)cc1 ZINC000253918571 FF Annotated Anodyne CSc1ccccc1N=N[C@@H]1C(=O)NN=C1C1CCN(C(C)=O)CC1 ZINC000253928403 FF Annotated Clean CSc1ccccc1N=N[C@H]1C(=O)NN=C1C1CCN(C(C)=O)CC1 ZINC000253928407 FF Annotated Clean CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@H]3CC[C@H]2C3)CC1 ZINC000253952031 FF Annotated Anodyne CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@H]2C[C@H]3CC[C@H]2C3)CC1 ZINC000253952034 FF Annotated Anodyne C[C@@H]1C[C@@H]2O[C@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 ZINC000253952046 FF Annotated Mild C=CCn1c(O)c(N=NC(=O)CNC(=O)c2ccncc2)c2ccccc21 ZINC000253982972 FF Annotated Mild COC(=O)[C@]12CC3(CC[C@H]4[C@@H]5[C@H]1[C@@H]5[C@H](OCc1ccccc1)[C@H]42)OCCO3 ZINC000253986385 FF Annotated Anodyne COC(=O)[C@]12CC3(CC[C@H]4[C@@H]5[C@H]1[C@@H]5[C@@H](OCc1ccccc1)[C@H]42)OCCO3 ZINC000253986390 FF Annotated Anodyne C[C@@H]1C[C@H]2O[C@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 ZINC000253987427 FF Annotated Mild C[C@@H]1C[C@@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 ZINC000253987428 FF Annotated Mild S=C(NN=Cc1ccccn1)N(Cc1ccccn1)Cc1ccccn1 ZINC000254005091 FF Annotated Mild CC1(C)CC(=O)C=C(NC2=C[C@@H]3O[C@H](c4ccccc4)OC[C@H]3OC2=O)C1 ZINC000254010385 FF Annotated Mild CCN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(C)(=O)=O ZINC000254016255 FF Annotated Anodyne CN(C(=O)CCC(=O)O)[C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1 ZINC000254016563 FF Annotated Anodyne C(CO[C@@H]1C[C@H]2C[C@H]1[C@@H]1[C@@H]2C[C@H]2O[C@H]12)O[C@@H]1C[C@H]2C[C@H]1[C@H]1[C@H]3O[C@H]3C[C@@H]12 ZINC000254046626 FF Annotated Anodyne C(CO[C@@H]1C[C@H]2C[C@H]1[C@H]1[C@H]3O[C@H]3C[C@@H]12)O[C@@H]1C[C@H]2C[C@H]1[C@H]1[C@@H]3O[C@@H]3C[C@@H]12 ZINC000254046629 FF Annotated Anodyne C(CO[C@@H]1C[C@H]2C[C@H]1[C@H]1[C@H]3O[C@H]3C[C@@H]12)O[C@@H]1C[C@H]2C[C@H]1[C@H]1[C@@H]3O[C@H]3C[C@@H]12 ZINC000254046631 FF Annotated Anodyne C(CO[C@@H]1C[C@H]2C[C@H]1[C@H]1[C@H]3O[C@H]3C[C@@H]12)O[C@@H]1C[C@H]2C[C@H]1[C@H]1[C@H]3O[C@H]3C[C@@H]12 ZINC000254046635 FF Annotated Anodyne O=C(CCNC(=O)c1ccccc1Cl)NN=Cc1ccccc1[N+](=O)[O-] ZINC000254047279 FF Annotated Reactive C[C@H]1C[C@@H](C)C[C@@H](O)[C@H]1[C@@H](O)CC1CC(=O)N(c2ccccc2)C(=O)C1 ZINC000254076653 FF Annotated Anodyne C[C@H]1C[C@@H](C)C[C@H](O)[C@H]1[C@H](O)CC1CC(=O)N(c2ccccc2)C(=O)C1 ZINC000254076655 FF Annotated Anodyne C[C@H]1C[C@@H](C)C[C@H](O)[C@H]1[C@@H](O)CC1CC(=O)N(c2ccccc2)C(=O)C1 ZINC000254076657 FF Annotated Anodyne COc1cc([C@H]2c3cc(O)c(OC)cc3[C@H]3OC[C@H]2[C@@H]3CO)ccc1O ZINC000254076696 FF Annotated Anodyne c1ccc(COC2(OCc3ccccc3)C[C@H]3O[C@H]2[C@@H]2NN=N[C@H]32)cc1 ZINC000254079915 FF Annotated Anodyne Cc1cc(C)c2c(=O)n(CN3C[C@@H]4c5ccccc5N[C@H]4C3)sc2n1 ZINC000254080625 FF Annotated Anodyne CCn1c(O)c(N=NC(=O)CNC(=O)c2cccnc2)c2ccccc21 ZINC000254095576 FF Annotated Clean CC(C)=CCC/C(C)=C/CNCC(=O)N[C@@]12O[C@H]3[C@@H]4[C@H]5C[C@H]([C@@H]41)[C@H]1[C@H]2[C@H]3[C@H]51 ZINC000254124488 FF Annotated Anodyne CC(C)=CCC/C(C)=C/CNCC(=O)N[C@]12O[C@@H]3[C@H]4[C@@H]1[C@@H]1[C@@H]5C[C@H]([C@@H]3[C@@H]52)[C@@H]41 ZINC000254124494 FF Annotated Anodyne CC(C)=CCC/C(C)=C/CNCC(=O)N[C@@]12O[C@H]3[C@@H]4[C@H]5C[C@H]([C@@H]41)[C@@H]1[C@@H]5[C@@H]3[C@@H]12 ZINC000254124498 FF Annotated Anodyne CC(C)=CCC/C(C)=C/CNCC(=O)N[C@]12O[C@H]3[C@@H]4[C@H]5C[C@@H]([C@@H]6[C@@H]5[C@@H]3[C@@H]61)[C@H]42 ZINC000254124504 FF Annotated Anodyne CC(C)CN1CCN(Cc2cc(F)ccc2-n2cccn2)C[C@H]1CCO ZINC000254128274 FF Annotated Anodyne C[C@H](O[Si](C)(C)C)[C@@H]1C=C[C@H](C)n2c(=O)n(-c3ccccc3)c(=O)n21 ZINC000254140621 FF Annotated Reactive C[C@H](O[Si](C)(C)C)[C@H]1C=C[C@H](C)n2c(=O)n(-c3ccccc3)c(=O)n21 ZINC000254140626 FF Annotated Reactive CC[C@@H]1C[C@@H](NS(=O)(=O)C2CC2)C[C@H]1c1ncc2cnc3[nH]ccc3n12 ZINC000254145312 FF Annotated Anodyne CC[C@@H]1C[C@H](NS(=O)(=O)C2CC2)C[C@H]1c1ncc2cnc3[nH]ccc3n12 ZINC000254145317 FF Annotated Anodyne O=C(NN=C/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc2O1 ZINC000254290973 FF Annotated Reactive aggregator O=C(NN=C/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2O1 ZINC000254290980 FF Annotated Reactive aggregator COc1cc(C=NN=c2sc3ccccc3n2C)ccc1OCCO ZINC000254303539 FF Annotated Mild CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(CC)cc1 ZINC000254318243 FF Annotated Mild CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(CC)cc1 ZINC000254318248 FF Annotated Mild CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(CC)cc1 ZINC000254318252 FF Annotated Mild CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(CC)cc1 ZINC000254318255 FF Annotated Mild O=C(NCCc1ccccc1)C(=O)NN=Cc1ccccc1C(F)(F)F ZINC000254490128 FF Annotated Reactive aggregator CCOc1cccc2sc(=NC(=O)c3ccco3)n(CC(=O)OC)c12 ZINC000254555007 FF Annotated Anodyne COC(=O)c1cc(=O)n(Cc2ccco2)c(=Nc2ccc(F)cc2)s1 ZINC000254570879 FF Annotated Anodyne Oc1ccc(C=NNc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1O ZINC000254669020 FF Annotated Mild aggregator CCOC(=O)c1ccc2c(c1)sc(=NC(=O)c1ccco1)n2CCOC ZINC000254696387 FF Annotated Anodyne CCN(CC)c1ccc(C=Nn2c(S)nnc2-c2cc(C)[nH]n2)cc1 ZINC000254705458 FF Annotated Mild CCOC(=O)c1sc(=NC(=O)COc2ccc(Cl)cc2)n(C)c1C ZINC000254737939 FF Annotated Anodyne O=C(CSc1nc2ccccc2[nH]1)NN=Cc1ccccc1C(=O)O ZINC000254773405 FF Annotated Reactive Cc1cccc(NC(=O)[C@@H]2CC(=O)N=C(NN=Cc3ccco3)S2)c1 ZINC000254836519 FF Annotated Mild aggregator Cc1cccc(NC(=O)[C@H]2CC(=O)N=C(NN=Cc3ccco3)S2)c1 ZINC000254836522 FF Annotated Mild aggregator COc1ccc(-c2cc(C(=O)NN=Cc3ccccc3[N+](=O)[O-])[nH]n2)cc1 ZINC000254912215 FF Annotated Reactive CN1CC[N+](C)(CCCOc2c3occc3cc3ccc(=O)oc23)CC1 ZINC000025964103 FF Annotated Bother CC(C)Nc1cnnc(N2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)c1 ZINC000025967217 FF Annotated Anodyne COC(=O)Cc1ccc(OCCCOc2cc3c(cc2O)CCO3)cc1 ZINC000025972756 FF Annotated Anodyne CCC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@@H]1C)OCO3 ZINC000025984764 FF Annotated Anodyne CCC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3 ZINC000025984773 FF Annotated Anodyne C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)C1CC1)OCO3 ZINC000025987991 FF Annotated Anodyne C[C@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)C1CC1)OCO3 ZINC000025987999 FF Annotated Anodyne CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccncc4)oc23)CC1 ZINC000025989990 FF Annotated Anodyne COc1cc(OC)cc([C@@H]2c3cc4c(cc3N[C@H]3COC(=O)N32)OCO4)c1 ZINC000025994600 FF Annotated Anodyne COc1cc(OC)cc([C@@H]2c3cc4c(cc3N[C@@H]3COC(=O)N32)OCO4)c1 ZINC000025994985 FF Annotated Anodyne C[C@]12CCC[C@@]34[C@@H]1C(=O)C[C@@]15C[C@](C)(O)[C@@H](C[C@@H]1[C@H]3N1CCO[C@H]12)C[C@H]54 ZINC000255192335 FF Annotated Anodyne C[C@]12CCC[C@@]34[C@@H]1C(=O)C[C@@]15C[C@@](C)(O)[C@@H](C[C@@H]1[C@H]3N1CCO[C@H]12)C[C@H]54 ZINC000255192338 FF Annotated Anodyne CCN1C[C@@H]2CC[C@H](OC)[C@]34[C@@H]2C[C@H]([C@H]2C[C@H](OC)[C@H]5C[C@@H]3[C@@H]2C5=O)[C@@H]14 ZINC000255204659 FF Annotated Anodyne C[C@H]1[C@@H]2CC(=O)C3=C(CC[C@@]4(C)[C@H]3CC[C@]4(O)[C@@H](C)O)[C@@]2(C)CC[C@H]1O ZINC000255233847 FF Annotated Mild C/C=C1/C[N@+]2(C)CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC ZINC000255235821 FF Annotated Bother COC(=O)[C@@]12COCC[C@H]3[C@@H]1CC[N@+](C)([O-])[C@H]3c1c2[nH]c2ccccc12 ZINC000255256241 FF Annotated Bother C[C@H]1[C@H]2C(=O)C=C3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C(=O)N1C ZINC000255264290 FF Annotated Mild CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000255269387 FF Annotated Anodyne C[C@H]1[C@H]2[C@H](O)C=C3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C(=O)N1C ZINC000255280540 FF Annotated Mild C=C1C[C@]23CC[C@H]1C[C@@H]2[C@@]12CCC[C@@]4(C)[C@H]5OCCN5[C@@H]1O[C@@H]3[C@@H](O)[C@H]42 ZINC000255281518 FF Annotated Mild COC[C@@H]1CCCN1C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12 ZINC000257199071 FF Annotated Anodyne CC1(C)O[C@@](C)([C@H]2CC3(CCN(c4ncccn4)CC3)CO2)CC[C@@H]1O ZINC000257263335 FF Annotated Anodyne Cc1noc(C)c1-c1nc([C@H]2CCCN(Cc3c[nH]cn3)C2)ccc1CO ZINC000257279091 FF Annotated Anodyne Cc1noc(C)c1-c1nc([C@@H]2CCCN(Cc3c[nH]cn3)C2)ccc1CO ZINC000257279092 FF Annotated Anodyne CC(=C\C(=O)O)/C=C(\C)C[C@H](C)CCCCC[C@@H](O)[C@H](CO)C(=O)O ZINC000257371075 FF Annotated Anodyne CC(=C\C(=O)O)/C=C(\C)C[C@H](C)CCCCC[C@H](O)[C@H](CO)C(=O)O ZINC000257371076 FF Annotated Anodyne COc1ccc(CN2CCN(Cc3nccs3)C[C@H]2CCO)cc1C ZINC000257372183 FF Annotated Anodyne CC(=O)/C=C/[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H](OC(C)=O)[C@@H](O)[C@@]1(C)O ZINC000257388145 FF Annotated Mild CC(=O)/C=C/[C@@H]1[C@](C)(O)[C@H](O)[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]21C ZINC000257388146 FF Annotated Mild CC(=O)/C=C/[C@@H]1[C@](C)(O)[C@H](O)[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@@]12C ZINC000257388147 FF Annotated Mild C[C@@H]1C[C@@H]2C(=O)C=C3OCO[C@]34Oc3cc5c(cc3[C@H]([C@@H]1C)[C@H]24)OCO5 ZINC000257426753 FF Annotated Mild C[C@H]1[C@H](C)C[C@@H]2C(=O)C=C3OCO[C@]34Oc3cc5c(cc3[C@H]1[C@@H]24)OCO5 ZINC000257426754 FF Annotated Mild C/C=C1/C[N@+]2(C)CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC ZINC000257485327 FF Annotated Bother C/C=C1/C[N@+]2(C)CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1[C@H](CO)C(=O)OC ZINC000257485328 FF Annotated Bother C/C=C1/C[N@+]2(C)CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1[C@@H](CO)C(=O)OC ZINC000257485329 FF Annotated Bother CC(=O)O[C@H]1C/C(C)=C/C[C@@H](OC(C)=O)/C(C)=C/[C@H]2OC(=O)[C@H](C)[C@H]12 ZINC000257502229 FF Annotated Anodyne CCO[C@@H]1C[C@@H]2c3c(cc(OC)c4c5c(c(=O)oc34)C(=O)CC5)O[C@H]2O1 ZINC000257514720 FF Annotated Anodyne CCO[C@@H]1C[C@H]2c3c(cc(OC)c4c5c(c(=O)oc34)C(=O)CC5)O[C@H]2O1 ZINC000257514721 FF Annotated Anodyne CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@@H]3O)CC[C@@]2(C)CCC1 ZINC000257522739 FF Annotated Anodyne CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)CC[C@@]2(C)CCC1 ZINC000257522740 FF Annotated Anodyne C=C1[C@H]2CC[C@@]3([C@H]4C[C@@H]5[C@@]6(CCC[C@@]5(C)CN(CCO)[C@@H]6O4)[C@@H]3C2)[C@@H]1O ZINC000257532722 FF Annotated Mild C=C1[C@H]2CC[C@]3([C@H](C2)[C@@]24CCC[C@@]5(C)CN(CCO)[C@@H]2O[C@@H]3C[C@H]45)[C@@H]1O ZINC000257532723 FF Annotated Mild CC(=O)/C=C/[C@@H]1[C@](C)(O)[C@H](OC(C)=O)[C@H](O)[C@@H]2C(C)(C)CCC[C@]12C ZINC000257762412 FF Annotated Mild CC(=O)/C=C/[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H](O)[C@@H](OC(C)=O)[C@@]1(C)O ZINC000257762413 FF Annotated Mild CC(=O)/C=C/[C@@H]1[C@](C)(O)[C@H](OC(C)=O)[C@H](O)[C@H]2C(C)(C)CCC[C@]21C ZINC000257762414 FF Annotated Mild CC(=O)/C=C/[C@@H]1[C@](C)(O)[C@H](OC(C)=O)[C@H](O)[C@@H]2C(C)(C)CCC[C@@]12C ZINC000257762415 FF Annotated Mild CS(=O)(=O)Nc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1 ZINC000026001563 FF Annotated Anodyne C[C@@](O)(c1ccc(F)cc1)[C@@](O)(Cn1cncn1)c1ccccc1Cl ZINC000026004726 FF Annotated Anodyne C[C@](O)(c1ccc(F)cc1)[C@@](O)(Cn1cncn1)c1ccccc1Cl ZINC000026004732 FF Annotated Anodyne C[C@@](O)(c1ccc(Cl)cc1)[C@](O)(Cn1cncn1)c1ccc(F)cc1 ZINC000026004764 FF Annotated Anodyne CC(C)C(=O)OCn1c([S@@](=O)Cc2ccccn2)nc2ccccc21 ZINC000026006398 FF Annotated Anodyne CC(C)C(=O)OCn1c([S@](=O)Cc2ccccn2)nc2ccccc21 ZINC000026006402 FF Annotated Anodyne C[C@@](O)(c1ccc(F)cc1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1 ZINC000026007008 FF Annotated Anodyne C[C@](O)(c1ccc(F)cc1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1 ZINC000026007015 FF Annotated Anodyne O=C1NC(=O)[C@@](CC#Cc2ccccc2)(S(=O)(=O)c2ccccc2)S1 ZINC000026026943 FF Annotated Mild O=C1NC(=O)[C@](CC#Cc2ccccc2)(S(=O)(=O)c2ccccc2)S1 ZINC000026026951 FF Annotated Mild O=S(=O)(CS(=O)(=O)C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000026028660 FF Annotated Anodyne CC[C@@H](S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)C(F)(F)F ZINC000026028700 FF Annotated Anodyne CC[C@H](S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)C(F)(F)F ZINC000026028708 FF Annotated Anodyne CS[C@@H](S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)C(F)(F)F ZINC000026028716 FF Annotated Anodyne CS[C@H](S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)C(F)(F)F ZINC000026028722 FF Annotated Anodyne NC(N)=Nc1nc(C(=O)Nc2nc3cc(F)c(Cl)cc3s2)cs1 ZINC000026143597 FF Annotated Mild CSc1ccc2sc(NC(=O)c3csc(N=C(N)N)n3)nc2c1 ZINC000026143922 FF Annotated Mild COc1ccc2[nH]c([S@@](=O)Cc3nccc(N(C)C)c3Cl)nc2c1 ZINC000026144425 FF Annotated Anodyne COc1ccc2[nH]c([S@](=O)Cc3nccc(N(C)C)c3Cl)nc2c1 ZINC000026144433 FF Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@@H]([C@@]3(C)CC[C@H](C(C)(C)O)O3)O2)O1 ZINC000026148480 FF Annotated Anodyne Cc1c(Cl)ccc2sc(NC(=O)c3csc(N=C(N)N)n3)nc12 ZINC000026149075 FF Annotated Mild COc1ccc2[nH]c([S@@](=O)Cc3cc(N(C)C)c(Cl)cn3)nc2c1 ZINC000026149929 FF Annotated Anodyne COc1ccc2[nH]c([S@](=O)Cc3cc(N(C)C)c(Cl)cn3)nc2c1 ZINC000026149935 FF Annotated Anodyne CSc1cccc2sc(NC(=O)c3csc(N=C(N)N)n3)nc12 ZINC000026153449 FF Annotated Mild Cc1cc(Cl)cc2sc(NC(=O)c3csc(N=C(N)N)n3)nc12 ZINC000026157559 FF Annotated Mild Cc1sc(-c2nccc(N)n2)nc1-c1ccc(OP(=O)(O)O)cc1 ZINC000026158602 FF Annotated Anodyne COc1cc2c3c(c1)[C@@H](C(=O)Nc1cc(F)ccc1F)C(=O)N3CCC2 ZINC000026162561 FF Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@@H]([C@@]3(C)CC[C@@H](C(C)(C)O)O3)O2)O1 ZINC000026166969 FF Annotated Anodyne Nc1ccc(-c2cc(=O)c3c(N)c(F)c(C(=O)O)c(F)c3o2)cc1F ZINC000026170579 FF Annotated Anodyne O=C(c1ccc([N+](=O)[O-])cc1)N1CC(=O)N2CCCc3ccccc3[C@@H]2C1 ZINC000026174582 FF Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CC(=O)N2CCCc3ccccc3[C@H]2C1 ZINC000026174585 FF Annotated Bother O=C(c1cccc([N+](=O)[O-])c1)N1CC(=O)N2CCCc3ccccc3[C@@H]2C1 ZINC000026174966 FF Annotated Bother O=C(c1cccc([N+](=O)[O-])c1)N1CC(=O)N2CCCc3ccccc3[C@H]2C1 ZINC000026174971 FF Annotated Bother CC(=O)Nc1ccc2c(c1)S(=O)(=O)c1cc(NC(C)=O)ccc1N2C ZINC000026181857 FF Annotated Anodyne CCN(CC)CCn1c2cc(NC)c(N)cc2c(=O)c2c(O)cc(O)cc21 ZINC000026255293 FF Annotated Bother Nc1nc(NO)c2cc(S(=O)(=O)c3ccc4ccccc4c3)ccc2n1 ZINC000026257782 FF Annotated Anodyne CCn1c2cc(N3CCSCC3)c(N)cc2c(=O)c2c(O)cc(O)cc21 ZINC000026260281 FF Annotated Bother CC1(C)C(=O)c2ccc(Br)cc2[C@H](N2CCCC2=O)[C@@H]1O ZINC000026262130 FF Annotated Anodyne O=C1c2ccccc2O[C@H](CCN2CCOCC2)CN1Cc1ccccc1 ZINC000026278420 FF Annotated Anodyne O=C1c2ccccc2O[C@@H](CCN2CCOCC2)CN1Cc1ccccc1 ZINC000026278425 FF Annotated Anodyne CSc1nc2c([nH]1)C(=O)C(Br)=C(Br)C2=O ZINC000026278792 FF Annotated Mild COc1ccc(CN(C)CC[C@@H]2CN(C)C(=S)c3cccnc3O2)cc1 ZINC000026289964 FF Annotated Anodyne COc1ccc(CN(C)CC[C@H]2CN(C)C(=S)c3cccnc3O2)cc1 ZINC000026289969 FF Annotated Anodyne CCc1nnc2c(N3CCNCC3)nc3cc(Cl)c(Cl)cc3n12 ZINC000026377602 FF Annotated Anodyne CC(C)N1CCC[C@@H](COC(=O)c2ccccc2N2C(=O)C[C@H](C)C2=O)C1 ZINC000026378101 FF Annotated Anodyne CC(C)N1CCC[C@H](COC(=O)c2ccccc2N2C(=O)C[C@@H](C)C2=O)C1 ZINC000026378103 FF Annotated Anodyne CN(C)CCn1c(=O)c2ccccc2c2cnc3cc4c(cc3c21)OCO4 ZINC000026378743 FF Annotated Bother CCOC(=O)n1c2cc(OC)ccc2c2oc(C(=O)N3CCOCC3)cc21 ZINC000026380642 FF Annotated Anodyne CC(C)N1CCC[C@@H](COC(=O)c2ccccc2N2C(=O)CCC2=O)C1 ZINC000026383790 FF Annotated Anodyne CC(C)N1CCC[C@H](COC(=O)c2ccccc2N2C(=O)CCC2=O)C1 ZINC000026383794 FF Annotated Anodyne CCOC(=O)n1c2cc(O)ccc2c2oc(C(=O)N3CCOCC3)cc21 ZINC000026384953 FF Annotated Anodyne Cn1cc2c(=O)c(OCCO)ccc-2c2ccc3cc4c(cc3c21)OCO4 ZINC000026397000 FF Annotated Anodyne CNC(=O)C1=CC(C(F)(F)F)(C(F)(F)F)Oc2ccc([N+](=O)[O-])cc21 ZINC000026397105 FF Annotated Bother C[C@]1(C(F)(F)F)C=C(C(=O)NCCC#N)c2cc([N+](=O)[O-])ccc2O1 ZINC000026398607 FF Annotated Mild C[C@@]1(C(F)(F)F)C=C(C(=O)NCCC#N)c2cc([N+](=O)[O-])ccc2O1 ZINC000026398610 FF Annotated Mild Cc1ccc2cc(C#N)c(N3CCCN(C(=O)[C@@H]4CCCO4)CC3)nc2c1 ZINC000026401202 FF Annotated Mild Cc1ccc2cc(C#N)c(N3CCCN(C(=O)[C@H]4CCCO4)CC3)nc2c1 ZINC000026401208 FF Annotated Mild CC(C)(C)n1nnnc1[C@H](c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000026438647 FF Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000026438651 FF Annotated Anodyne CC1(C)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000026489115 FF Annotated Anodyne CC1(C)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000026489120 FF Annotated Anodyne OC[C@H]1O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H](O)[C@@H]1F ZINC000026495535 FF Annotated Anodyne OC[C@H]1O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1F ZINC000026495538 FF Annotated Anodyne Cc1nc2sc3c(c2c(N)c1C(=O)OCC1CC1)CCC1(C3)OCCO1 ZINC000026499276 FF Annotated Anodyne C=CC[C@H]1C(=O)N(C(=O)NCC)[C@H]2CCN(C(=O)OCc3ccccc3)[C@@H]21 ZINC000026499963 FF Annotated Mild C=CC[C@H]1C(=O)N(C(=O)NCC)[C@H]2CCN(C(=O)OCc3ccccc3)[C@H]21 ZINC000026499966 FF Annotated Mild C=CC[C@@H]1C(=O)N(C(=O)NCC)[C@H]2CCN(C(=O)OCc3ccccc3)[C@H]12 ZINC000026499969 FF Annotated Mild C=CC[C@@H]1C(=O)N(C(=O)NCC)[C@H]2CCN(C(=O)OCc3ccccc3)[C@@H]12 ZINC000026499972 FF Annotated Mild COCCNC(=O)Nc1cc2[nH]nc(-c3ccc(OC(C)C)nc3)c2cn1 ZINC000261070929 FF Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2[C@H]3CCC[C@H]32)cc1F ZINC000261074078 FF Annotated Anodyne CS(=O)(=O)NC(=O)c1ccc(OCC2CCC3(CC2)CC3)cc1F ZINC000261083136 FF Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2C[C@@H]3C[C@H]3C2)cc1F ZINC000261084210 FF Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@H]2C[C@@H]3C[C@@H]3C2)cc1F ZINC000261084214 FF Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2C[C@H]3C[C@@H]3C2)cc1F ZINC000261084218 FF Annotated Anodyne COCCNC(=O)Nc1ncc2c(-c3ccnc(C4CC4)c3)n[nH]c2c1F ZINC000261093094 FF Annotated Anodyne Nc1ncnn2c([C@@H]3CC[C@@H](O)CC3)cc(-c3cc(F)c(CO)c(F)c3)c12 ZINC000261096607 FF Annotated Anodyne CSc1ncc2ccc3c(C(N)=O)cn([C@@H]4CC[C@H](N)CC4)c3c2n1 ZINC000261097536 FF Annotated Anodyne CCOC(=O)c1sc(-c2cc3ccc(O)c(C=O)c3oc2=O)nc1C ZINC000261116100 FF Annotated Anodyne Cc1ccc(OC[C@@H]2CN(C(=O)[C@H]3C[C@H]3c3ccccc3)CCO2)cn1 ZINC000261121908 FF Annotated Anodyne O=C(NC[C@H]1CCOC1)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1 ZINC000261127438 FF Annotated Anodyne O=C(NC[C@@H]1CCOC1)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1 ZINC000261127448 FF Annotated Anodyne [C-]#[N+][C@H]1C[C@@H](CF)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 ZINC000261127952 FF Annotated Reactive Cc1c2c(nn1C)C(=O)N(c1ccc(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1 ZINC000261133388 FF Annotated Anodyne Cc1c2c(nn1C)C(=O)N(c1ccc(=O)n(C)c1)[C@H]2c1ccc(Cl)cc1 ZINC000261133390 FF Annotated Anodyne COCCNC(=O)Nc1cc2[nH]nc(-c3ccnc(OC(C)C)c3)c2cn1 ZINC000261136726 FF Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(O[C@@H]2C[C@H]3CC[C@H]2C3)cc1F ZINC000261141655 FF Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(O[C@H]2C[C@H]3CC[C@H]2C3)cc1F ZINC000261141656 FF Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(O[C@@H]2C[C@@H]3CC[C@H]2C3)cc1F ZINC000261141657 FF Annotated Anodyne Cc1cc(Oc2ncccc2C(N)=O)ccc1-c1c(C)n[nH]c(=O)c1C ZINC000261145862 FF Annotated Anodyne CN1[C@H](C(=O)NCCc2cccs2)C[C@@H]2Cn3c(nc4ccccc43)[C@H]21 ZINC000261150520 FF Annotated Anodyne CN1[C@H](C(=O)NCCc2cccs2)C[C@H]2Cn3c(nc4ccccc43)[C@H]21 ZINC000261150521 FF Annotated Anodyne Cc1[nH]nc2c1[C@H](c1ccc(Cl)cc1)N(c1ccc(=O)n(C)c1)C2=O ZINC000261152863 FF Annotated Anodyne Cc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1)N(c1ccc(=O)n(C)c1)C2=O ZINC000261152866 FF Annotated Anodyne O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1ccc(=O)[nH]n1 ZINC000261166926 FF Annotated Anodyne COCCNC(=O)Nc1cc2[nH]nc(-c3ccnc(C4CC4)c3)c2cn1 ZINC000261172710 FF Annotated Anodyne CCc1ccc(S(=O)(=O)N2C[C@H]3C(c4ccccc4)=NO[C@H]3C2)cc1 ZINC000263590267 FF Annotated Anodyne CCc1ccc(S(=O)(=O)N2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)cc1 ZINC000263590268 FF Annotated Anodyne CN1CCN(C)C(=Nc2ccc(C#N)cc2C(=O)Nc2cccc(F)c2)C1 ZINC000263590292 FF Annotated Mild CCc1ccc(S(=O)(=O)N2C[C@H]3C(c4ccccc4C)=NO[C@H]3C2)cc1 ZINC000263590304 FF Annotated Anodyne CCc1ccc(S(=O)(=O)N2C[C@@H]3ON=C(c4ccccc4C)[C@H]3C2)cc1 ZINC000263590305 FF Annotated Anodyne Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)c1 ZINC000263590306 FF Annotated Anodyne Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3C(c4ccccc4)=NO[C@H]3C2)c1 ZINC000263590307 FF Annotated Anodyne Cc1ccc(F)c(S(=O)(=O)N2C[C@@H]3ON=C(c4ccccc4C)[C@H]3C2)c1 ZINC000263590351 FF Annotated Anodyne Cc1ccc(F)c(S(=O)(=O)N2C[C@H]3C(c4ccccc4C)=NO[C@H]3C2)c1 ZINC000263590352 FF Annotated Anodyne Cc1cc(F)ccc1S(=O)(=O)N1C[C@H]2C(c3ccccc3)=NO[C@H]2C1 ZINC000263590371 FF Annotated Anodyne Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H]2ON=C(c3ccccc3)[C@H]2C1 ZINC000263590372 FF Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3C(c4ccccc4C)=NO[C@H]3C2)c1 ZINC000263590385 FF Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@@H]3ON=C(c4ccccc4C)[C@H]3C2)c1 ZINC000263590386 FF Annotated Anodyne O=S1(=O)C[C@@H]2c3ccc(F)cc3CN2CN1Cc1ccc(F)cc1 ZINC000263590509 FF Annotated Anodyne CCOC(=O)CCCNC(=O)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2C ZINC000263590675 FF Annotated Anodyne CCOC(=O)CCCNC(=O)O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1[C@H]2C ZINC000263590676 FF Annotated Anodyne COc1ccc(CNC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3=O)cc1 ZINC000263591056 FF Annotated Anodyne COc1ccc(CNC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3=O)cc1 ZINC000263591057 FF Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@H]2CCC[C@H]1[C@@H]1N=NN(c3ccccc3)[C@H]12 ZINC000263591072 FF Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@H]2CCC[C@H]1[C@@H]1N=NN(c3ccccc3)[C@@H]12 ZINC000263591073 FF Annotated Anodyne C=CCN=c1scc(-c2ccco2)n1N/C=C1\C=CC(=O)C(O)=C1O ZINC000263591784 FF Annotated Mild O=C1C(Cl)=CC(Cl)=C/C1=C\NNC(=S)N[C@H]1C[C@H]2C=C[C@H]1C2 ZINC000263591789 FF Annotated Mild O=C1C(Cl)=CC(Cl)=C/C1=C\NNC(=S)N[C@@H]1C[C@H]2C=C[C@H]1C2 ZINC000263591790 FF Annotated Mild Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5ccccc54)[C@H]3N2C)o1 ZINC000263591817 FF Annotated Anodyne Cc1ccc(CNC(=O)[C@@H]2C[C@H]3Cn4c(nc5ccccc54)[C@H]3N2C)o1 ZINC000263591818 FF Annotated Anodyne CN=c1scc(-c2ccccc2F)n1N/C=C1\C=CC(=O)C(O)=C1O ZINC000263591952 FF Annotated Mild CCOC(=O)[C@@](O)(c1ccc(N=c2ccccn2C)cc1)C(F)(F)F ZINC000263591966 FF Annotated Anodyne CCOC(=O)[C@](O)(c1ccc(N=c2ccccn2C)cc1)C(F)(F)F ZINC000263591967 FF Annotated Anodyne Cc1ccc(CN=c2c([N+](=O)[O-])nn(-c3cccc(Cl)c3)n2O)cc1 ZINC000263591970 FF Annotated Bother CC(=O)ON/C=C1\C(=O)N2C=CC=C(C)C2=NC1=Nc1ccc(C)cc1 ZINC000263591974 FF Annotated Mild Cc1ccc(CN=c2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)n2O)cc1 ZINC000263591995 FF Annotated Bother CC(C)CN1CCN(Cc2ccc(Oc3ncccn3)cc2)C[C@H]1CCO ZINC000263592044 FF Annotated Anodyne CCN=c1scc(C)n1N/C=C1/C=C(Br)C(=O)C(OC)=C1 ZINC000263592056 FF Annotated Mild COc1cc(/C=C/CN2CCN(CCC(C)C)[C@H](CCO)C2)ccc1O ZINC000263592124 FF Annotated Anodyne COc1ccc(-n2nc([N+](=O)[O-])c(=NCCC3=CCCCC3)n2O)cc1 ZINC000263592125 FF Annotated Bother Cc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN3CCC[C@H]3C2)cc1 ZINC000263592270 FF Annotated Anodyne O=C(CCc1ccc(O)cc1)NN=Cc1cc(Br)ccc1O ZINC000263603199 FF Annotated Reactive COc1cncc(-c2cnc(NC3CCNCC3)c3nc(O)c(C)cc23)c1 ZINC000263620429 FF Annotated Anodyne CN[C@H](C(=O)O)[C@H](O)[C@H](C)C/C=C/CCC[n+]1cccc2ccccc21 ZINC000263620840 FF Annotated Anodyne Cc1cc(C)cc(Nc2nccc(-n3cc(CN4CC(O)C4)c(C)n3)n2)c1 ZINC000263620854 FF Annotated Anodyne COc1cccc(CC(=N)NC(=O)c2ccccc2OC2CCNCC2)c1 ZINC000263621197 FF Annotated Anodyne COC[C@@H]1CC[C@@H]2C1=C[C@]1(C)C(=C(C(C)C)C[C@@H]1O)[C@H](O)[C@H](O)[C@H]2C ZINC000263621322 FF Annotated Anodyne in-vitro COC[C@@H]1CC[C@@H]2C1=C[C@]1(C)C(=C(C(C)C)C[C@@H]1O)[C@H](O)[C@@H](O)[C@@H]2C ZINC000263621323 FF Annotated Anodyne in-vitro COC[C@@H]1CC[C@@H]2C1=C[C@]1(C)C(=C(C(C)C)C[C@@H]1O)[C@H](O)[C@H](O)[C@@H]2C ZINC000263621324 FF Annotated Anodyne in-vitro COC[C@@H]1CC[C@@H]2C1=C[C@]1(C)C(=C(C(C)C)C[C@@H]1O)[C@H](O)[C@@H](O)[C@H]2C ZINC000263621325 FF Annotated Anodyne in-vitro CC[C@]12CC(OC(C)=O)=C3Nc4ccccc4[C@]34CCN(C[C@@H]3O[C@H]31)[C@H]42 ZINC000263638929 FF Annotated Anodyne CC[C@]12CC(OC(C)=O)=C3Nc4ccccc4[C@]34CCN(C[C@@H]3O[C@@H]31)[C@@H]42 ZINC000263638930 FF Annotated Anodyne CC[C@]12CC(OC(C)=O)=C3Nc4ccccc4[C@]34CCN(C[C@@H]3O[C@H]31)[C@@H]42 ZINC000263638931 FF Annotated Anodyne CC[C@]12CC(OC(C)=O)=C3Nc4ccccc4[C@]34CCN(C[C@@H]3O[C@@H]31)[C@H]42 ZINC000263638932 FF Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)C1(CSC(C)=O)CCCC1 ZINC000026500239 FF Annotated Anodyne C#CCCOC(=O)c1c(C)nc2sc3c(c2c1N)CCC1(C3)OCCO1 ZINC000026503008 FF Annotated Mild CC(C)C[C@@H](CN)CC(=O)OCCCOC(=O)CC1(CN)CCCCC1 ZINC000026504643 FF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(C(F)(F)C(F)(F)F)cc2)C(=O)O1 ZINC000026575089 FF Annotated Anodyne Cc1ccc([C@@H]2CNC(=O)N2S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000026575172 FF Annotated Anodyne Cc1ccc([C@H]2CNC(=O)N2S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000026575173 FF Annotated Anodyne Cc1ccc([C@@H]2CN(S(=O)(=O)c3ccc4c(c3)CCC4)C(=O)N2)cc1 ZINC000026575606 FF Annotated Anodyne Cc1ccc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)CCC4)C(=O)N2)cc1 ZINC000026575607 FF Annotated Anodyne CCOc1cc2ccc(OCCn3c(CC)nc(C)cc3=O)cc2oc1=O ZINC000026575767 FF Annotated Anodyne Cn1cc2c(n1)Nc1ccc(F)cc1N=C2N1CCN(CC2CC2)CC1 ZINC000026576073 FF Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]1CCC(=O)O[C@@H]2CCC1=CC(=O)OC1 ZINC000026578472 FF Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CC(=O)OC3)OC(=O)CC[C@@H]12 ZINC000026578473 FF Annotated Anodyne CCOC(=O)c1nc(O)c2cc3cc(OCC)c(OCC)cc3nc2n1 ZINC000026638264 FF Annotated Bother COc1c(C)cnc(C[S@@](=O)c2nnc(-c3ccccc3O)o2)c1C ZINC000026639867 FF Annotated Anodyne COc1c(C)cnc(C[S@](=O)c2nnc(-c3ccccc3O)o2)c1C ZINC000026639873 FF Annotated Anodyne CCCCOC(=O)c1nc(O)c2cc3cc(OC)c(OC)cc3nc2n1 ZINC000026645439 FF Annotated Bother COC1=CC(=O)c2c(c(COC(=O)c3ccccc3F)c(C)n2C)C1=O ZINC000026649473 FF Annotated Mild COC1=CC(=O)c2c(c(COC(=O)c3ccc(F)cc3)c(C)n2C)C1=O ZINC000026655131 FF Annotated Mild Cc1cc2c(n1C)CCc1cc(S(=O)(=O)c3ccccc3)c(=O)[nH]c1-2 ZINC000026672099 FF Annotated Anodyne O=c1[nH]c2cc(-n3cccc3)c([N+](=O)[O-])cc2n(C2CCCCC2)c1=O ZINC000026725260 FF Annotated Bother NC(N)=N/N=C/c1c(-c2ccc(Cl)cc2Cl)nc2sccn12 ZINC000026725447 FF Annotated Mild NC(N)=N/N=C/c1c(-c2ccc(Cl)cc2Cl)nc2n1CCS2 ZINC000026727343 FF Annotated Mild C=C1C[C@@](COc2cc(C(=O)O)n(C)n2)(c2ccc(Cl)cc2)OC1=O ZINC000026731515 FF Annotated Mild C=C1C[C@](COc2cc(C(=O)O)n(C)n2)(c2ccc(Cl)cc2)OC1=O ZINC000026731519 FF Annotated Mild CSc1ccccc1-n1c(=O)n(Cc2ccccc2)c(=O)c2[nH]cnc21 ZINC000026738202 FF Annotated Anodyne O=C(Nc1ccc(-n2[nH]c(C(F)(F)F)cc2=O)cc1)c1ccncc1F ZINC000026748261 FF Annotated Anodyne CCOP(=O)(OCC)[C@H](c1ccc(O)c(OC)c1)N1CCN(C)CC1 ZINC000026818504 FF Annotated Anodyne CCOP(=O)(OCC)[C@@H](c1ccc(O)c(OC)c1)N1CCN(C)CC1 ZINC000026818509 FF Annotated Anodyne C[n+]1c(-c2ccc(/C=N/NC(=N)N3CCCCC3)cc2)cn2ccccc21 ZINC000026819274 FF Annotated Mild CCOP(=O)(OCC)[C@H](c1ccc(O)c(OC)c1)N1CCOCC1 ZINC000026824049 FF Annotated Anodyne Cc1ccc2n(c1)cc(/C=C/c1ccc(/C=N/NC3=NCCCN3)cc1)[n+]2C ZINC000026825583 FF Annotated Mild Cc1cccc2n1cc(/C=C/c1ccc(/C=N/NC3=NCCCN3)cc1)[n+]2C ZINC000026825716 FF Annotated Mild COc1ccc2n(c1)cc(-c1ccc(/C=N/NC(=N)SC)cc1)[n+]2C ZINC000026826854 FF Annotated Mild Cc1ccc2n(c1)cc(-c1ccc(/C=N/NC(=N)N3CCCC3)cc1)[n+]2C ZINC000026827300 FF Annotated Mild COc1nc(OC)c2sn(-c3ccc(C(F)(F)F)cc3)c(=O)c2n1 ZINC000026827334 FF Annotated Anodyne Cc1c(-c2ccc(/C=N/NC(=N)N3CCCC3)cc2)[n+](C)c2ccccn12 ZINC000026830311 FF Annotated Mild CCN(CC)CC(=O)N[C@H]1c2cc(OC)ccc2OCc2ncccc21 ZINC000026830991 FF Annotated Anodyne CCN(CC)CC(=O)N[C@@H]1c2cc(OC)ccc2OCc2ncccc21 ZINC000026830995 FF Annotated Anodyne CC/N=C(\NCC)N/N=C/c1ccc(-c2cn3cc(C)ccc3[n+]2C)cc1 ZINC000026831764 FF Annotated Mild CCCCNC(=N)N/N=C/c1ccc(-c2cn3ccc(C)cc3[n+]2C)cc1 ZINC000026834146 FF Annotated Mild CSC(=N)N/N=C/c1ccc(OCc2cn3ccccc3[n+]2C)cc1 ZINC000026834373 FF Annotated Mild CCCSc1ccc2n(c1)cc(-c1ccc(/C=N/NC(=N)N)cc1)[n+]2C ZINC000026835198 FF Annotated Mild COC(=O)[C@@H]1Cc2ccc(OC)c(c2)Oc2ccc(cc2)CCC(=O)N1 ZINC000026844986 FF Annotated Anodyne COCCc1c(C)n(C(=O)N2CCC(c3cccc(F)c3)CC2)oc1=O ZINC000026846343 FF Annotated Anodyne COc1ccc([C@@H]2c3cc4c(cc3N[C@@H]3COC(=O)[C@@H]32)OCO4)cc1OC ZINC000026851862 FF Annotated Anodyne COc1ccc([C@H]2c3cc4c(cc3N[C@@H]3COC(=O)[C@H]32)OCO4)cc1OC ZINC000026851869 FF Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(O)OCC1=N2 ZINC000026937247 FF Annotated Anodyne COc1ccnc2c1C(=O)c1c(-c3ccccc3[N+](=O)[O-])ccnc1C2=O ZINC000026960987 FF Annotated Clean CCOC(=O)[C@@H](C(C)C)N1C(=O)[C@H](C)S[C@@H]1c1cccc(OC)c1O ZINC000026966062 FF Annotated Clean CCOC(=O)[C@H](C(C)C)N1C(=O)[C@H](C)S[C@@H]1c1cccc(OC)c1O ZINC000026966074 FF Annotated Clean CCOC(=O)[C@H](C(C)C)N1C(=O)[C@H](C)S[C@H]1c1cccc(OC)c1O ZINC000026966089 FF Annotated Clean Cc1nc[nH]c1Cn1ccc2c(C(=O)N(C)C)cc3ccccc3c2c1=O ZINC000026977858 FF Annotated Bother COCCc1cc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1 ZINC000026980142 FF Annotated Anodyne COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3F)c(C)n2C)C1=O ZINC000026981953 FF Annotated Mild O=C(Nc1ccc(Br)cc1)c1c(O)c2cccnc2oc1=O ZINC000026985683 FF Annotated Anodyne CN(C)CCCN(C)c1onc2c1C(=O)/C(=N\c1ccccc1)C=C2O ZINC000026988596 FF Annotated Mild CCOC[C@@H](COc1ccc(NC(=O)CC[S+](C)C)cc1)OCC ZINC000026989840 FF Annotated Mild CCOC[C@H](COc1ccc(NC(=O)CC[S+](C)C)cc1)OCC ZINC000026989846 FF Annotated Mild O=c1c(CNCc2ccccc2)c[nH]c2nc(N3CCCC3)c(F)cc12 ZINC000026991687 FF Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4C[C@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2)O1 ZINC000027083727 FF Annotated Anodyne CCc1c(Sc2cc(C)cc(C)c2)n(CSCCO)c(=O)[nH]c1=O ZINC000027084958 FF Annotated Anodyne N#Cc1c(Br)n(COCc2ccccc2)c2ncnc(N)c12 ZINC000027092953 FF Annotated Mild COc1nc2ccc(/C(=N/O)c3ccccc3)cc2n1S(=O)(=O)C(C)C ZINC000027093028 FF Annotated Mild Cn1cc(-n2cc(C(=O)O)c(=O)c3cc(F)c(Cl)cc32)c([N+](=O)[O-])c1 ZINC000027093487 FF Annotated Bother CNc1nc2ccc(/C(=N/O)c3ccccc3)cc2n1S(=O)(=O)C(C)C ZINC000027094564 FF Annotated Mild CC(C)NCCNc1ccc2ncnc3c2c1C(=O)c1c(O)ccc(O)c1-3 ZINC000027094635 FF Annotated Clean CN(CCCn1nc2ccccn2c1=O)CCNc1cccc(Cl)c1 ZINC000027096647 FF Annotated Anodyne Cn1cc([N+](=O)[O-])cc1-n1cc(C(=O)O)c(=O)c2cc(F)c(Cl)cc21 ZINC000027101006 FF Annotated Bother COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1N ZINC000027110211 FF Annotated Anodyne CCCC[C@@H](Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-])C(C)=O ZINC000027185490 FF Annotated Bother CCCC[C@H](Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-])C(C)=O ZINC000027185495 FF Annotated Bother COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1C3)OCO2 ZINC000027188070 FF Annotated Anodyne CCOC(=O)Nc1cc(N[C@@H](C)C(=O)c2ccccc2)c([N+](=O)[O-])c(N)n1 ZINC000027191513 FF Annotated Bother N=C(N)c1ccc(-c2cccc(-c3cn4c(n3)CC[C@@H](C(=N)N)C4)c2)cc1 ZINC000027193038 FF Annotated Anodyne N=C(N)NOCCCOc1cc(Cl)cc(C(=O)N2CCCCCC2)c1 ZINC000027193120 FF Annotated Anodyne C=CCN(C(=O)c1cc(C)cc(OCCCON=C(N)N)c1)C1CCCC1 ZINC000027193750 FF Annotated Mild N=C(N)c1ccc(-c2ccc(-c3cn4c(n3)CC[C@@H](C(=N)N)C4)cc2)cc1 ZINC000027193825 FF Annotated Anodyne CCOC(=O)Nc1cc(N[C@H](C)C(=O)c2ccccc2)c([N+](=O)[O-])c(N)n1 ZINC000027194933 FF Annotated Bother CCCCC(=O)[C@@H](C)Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-] ZINC000027198479 FF Annotated Bother CCCCC(=O)[C@H](C)Nc1cc(NC(=O)OCC)nc(N)c1[N+](=O)[O-] ZINC000027198483 FF Annotated Bother CCNC(=S)NCCCCCCn1nc(-c2ccccc2)ccc1=O ZINC000027208425 FF Annotated Anodyne O=C(O)CCCc1nc2[nH]cnc2c2nc(-c3ccc(Cl)cc3)nn12 ZINC000027210474 FF Annotated Anodyne O=c1ccc(-c2ccccc2)nn1CCNC(=S)Nc1ccccc1 ZINC000027212522 FF Annotated Anodyne CCC/N=C(/NC#N)NCCCCCn1nc(-c2ccccc2)ccc1=O ZINC000027215020 FF Annotated Mild CC/N=C(/NC#N)NCCCCCCn1nc(-c2ccccc2)ccc1=O ZINC000027216171 FF Annotated Mild O=C1CN2Cc3c(sc4c3C[C@@H](OCc3ccccc3)CC4)N=C2N1 ZINC000027298980 FF Annotated Anodyne O=C1CN2Cc3c(sc4c3C[C@H](OCc3ccccc3)CC4)NC2=N1 ZINC000027298985 FF Annotated Anodyne CC(C)NC(=N)N/C(N)=N\OCCCOc1ccc(Cl)cc1Cl ZINC000027306008 FF Annotated Mild N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CC[C@H](CC(=O)O)C3=O)s1 ZINC000027309559 FF Annotated Anodyne N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H](CC(=O)O)C3=O)s1 ZINC000027309564 FF Annotated Anodyne CC(C)NC(=N)N/C(N)=N\OCCCOc1ccc(Cl)c(Cl)c1 ZINC000027309653 FF Annotated Mild C[C@H]1N(C(=O)c2ccccc2)CCO[C@@]1(Cn1cncn1)c1ccccc1 ZINC000027309671 FF Annotated Anodyne COC(=O)[C@H]1CC(=O)N(c2cccc(OCc3nc4ccccc4o3)c2)C1 ZINC000027325971 FF Annotated Anodyne COC(=O)[C@@H]1CC(=O)N(c2cccc(OCc3nc4ccccc4o3)c2)C1 ZINC000027325973 FF Annotated Anodyne C[C@@H]1Oc2c(Br)cc(C(=O)O)cc2C(=O)[C@@H]1n1ccnc1 ZINC000027408316 FF Annotated Anodyne C[C@H]1Oc2c(Br)cc(C(=O)O)cc2C(=O)[C@@H]1n1ccnc1 ZINC000027408320 FF Annotated Anodyne C[C@@H]1Oc2c(Br)cc(C(=O)O)cc2C(=O)[C@H]1n1ccnc1 ZINC000027408323 FF Annotated Anodyne C[C@H]1Oc2c(Br)cc(C(=O)O)cc2C(=O)[C@H]1n1ccnc1 ZINC000027408328 FF Annotated Anodyne O=C1O[C@@H](COc2cccnn2)CN1c1ccc(C2=CCOCC2)c(F)c1 ZINC000027409490 FF Annotated Anodyne O=C1O[C@@H](COc2ncccn2)CN1c1ccc(C2=CCOCC2)c(F)c1 ZINC000027413194 FF Annotated Anodyne O=C1O[C@@H](COc2ccncn2)CN1c1ccc(C2=CCOCC2)c(F)c1 ZINC000027413199 FF Annotated Anodyne O=C1O[C@@H](Cn2ccccc2=O)CN1c1ccc(C2=CCOCC2)c(F)c1 ZINC000027413204 FF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3cc4cccnc4c3)c(F)c2)C(=O)O1 ZINC000027413240 FF Annotated Anodyne CCC[C@]12c3c4ccc(OC)c3O[C@@]1(C)C(=O)CC[C@@]2(OC)[C@H](NC)C4 ZINC000027414196 FF Annotated Anodyne CCC[C@]12c3c4ccc(OC)c3O[C@@]1(C)C(=O)CC[C@@]2(OC)[C@@H](NC)C4 ZINC000027414201 FF Annotated Anodyne COC(=O)Cc1csc(C(=O)c2ccc3[nH]c(NC(=O)OC)nc3c2)c1 ZINC000027416194 FF Annotated Anodyne NCCNCCCCCCNc1cccc2c1C(=O)c1ccccc1C2=O ZINC000027419964 FF Annotated Clean CN(C)S(=O)(=O)Nc1cccc(/C(=N/O)c2ccc(Cl)cc2)c1 ZINC000027420343 FF Annotated Mild O=S(=O)(Nc1ccccc1)N[C@@H]1CCN2CCc3ccccc3[C@@H]2C1 ZINC000027422128 FF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3cc4ccncc4c3)c(F)c2)C(=O)O1 ZINC000027423598 FF Annotated Anodyne CSc1ccc(/C(=N\O)c2cccc(NS(=O)(=O)N(C)C)c2)cc1 ZINC000027426767 FF Annotated Mild CCN(CCO)c1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(C)c1 ZINC000027426829 FF Annotated Mild CCOc1ccc(/C(=N\O)c2cccc(NS(=O)(=O)N(C)C)c2)cc1 ZINC000027427101 FF Annotated Mild O=C(O)CCCOc1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O)c1 ZINC000027427169 FF Annotated Mild O=C(O)[C@@H]1SC(c2ccc(-c3ccco3)cc2)=NN1C(=O)CCS ZINC000027517425 FF Annotated Mild O=C(O)[C@H]1SC(c2ccc(-c3ccco3)cc2)=NN1C(=O)CCS ZINC000027517427 FF Annotated Mild O=C1Cc2cc3c(cc2C(c2ccc(Br)cc2)=NN1)OCO3 ZINC000027517735 FF Annotated Anodyne CC1(C)Oc2cc(C(=O)C(F)(F)F)sc2[C@@H](N2CCCC2=O)[C@@H]1O ZINC000027518135 FF Annotated Anodyne Cc1c(N2C[C@@H](C)O[C@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000027518173 FF Annotated Anodyne Cc1c(N2C[C@H](C)O[C@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000027518174 FF Annotated Anodyne Cc1c(N2C[C@H](C)O[C@@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000027518175 FF Annotated Anodyne O=C(O)[C@@H]1SC(c2ccc(C(F)(F)F)cc2)=NN1C(=O)CCS ZINC000027518875 FF Annotated Mild O=C(O)[C@H]1SC(c2ccc(C(F)(F)F)cc2)=NN1C(=O)CCS ZINC000027518876 FF Annotated Mild O=C(O)[C@@H]1SC(C23CC4CC(CC(C4)C2)C3)=NN1C(=O)CCS ZINC000027519042 FF Annotated Mild O=C(O)[C@H]1SC(C23CC4CC(CC(C4)C2)C3)=NN1C(=O)CCS ZINC000027519043 FF Annotated Mild COc1cc([C@@H]2CN=C(c3ccc4cncn4c3)O2)cc(OC)c1OC ZINC000027524655 FF Annotated Anodyne COc1cc([C@H]2CN=C(c3ccc4cncn4c3)O2)cc(OC)c1OC ZINC000027524656 FF Annotated Anodyne COC(=O)c1cc2c(cc1OC)[C@@]1(C)CCC[C@](C)(C(=O)OC)[C@@H]1C(=O)C2 ZINC000027525155 FF Annotated Anodyne COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C=C(C(C)=O)CC3 ZINC000027547212 FF Annotated Mild COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@H](C(C)=O)CC3 ZINC000027548299 FF Annotated Clean N=C(NO)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)cc3)s2)nc1 ZINC000027548790 FF Annotated Mild Cc1c(N2CCC[C@@H](CO)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000027550277 FF Annotated Anodyne Cc1c(N2CCC[C@H](CO)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000027550281 FF Annotated Anodyne COc1ccnc(C[S@@](=O)c2nc3cc(F)c(F)cc3[nH]2)c1OC ZINC000027551715 FF Annotated Anodyne COc1ccnc(C[S@](=O)c2nc3cc(F)c(F)cc3[nH]2)c1OC ZINC000027551719 FF Annotated Anodyne Cc1c(N2C[C@@H](C)O[C@H](C)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000027552392 FF Annotated Anodyne Cc1c(N2C[C@H](C)O[C@H](C)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000027552395 FF Annotated Anodyne Cc1c(N2C[C@H](C)O[C@@H](C)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000027552400 FF Annotated Anodyne O=c1ccccn1[C@@H]1c2cc([N+](=O)[O-])ccc2OC2(CCCCC2)[C@H]1O ZINC000027554907 FF Annotated Bother COC1(/C(C)=C/C(=O)OCc2ccc3c(ccc(=O)n3C)c2)CCOCC1 ZINC000027560240 FF Annotated Anodyne COc1ccccc1OC[C@@H]1SCCN1C(=O)[C@@H](C)SC(C)=O ZINC000027561394 FF Annotated Anodyne COc1ccccc1OC[C@H]1SCCN1C(=O)[C@@H](C)SC(C)=O ZINC000027561396 FF Annotated Anodyne COc1ccccc1OC[C@@H]1SCCN1C(=O)[C@H](C)SC(C)=O ZINC000027561398 FF Annotated Anodyne COc1ccccc1OC[C@H]1SCCN1C(=O)[C@H](C)SC(C)=O ZINC000027561400 FF Annotated Anodyne CC(C)Oc1ccc2c(c1)[C@@]1(CCC2)CC(=O)N(CCCN(C)C)C1=O ZINC000027562196 FF Annotated Anodyne CC(C)Oc1ccc2c(c1)[C@]1(CCC2)CC(=O)N(CCCN(C)C)C1=O ZINC000027562199 FF Annotated Anodyne CCC(=O)SCC(=O)N1CCS[C@@H]1COc1ccccc1OC ZINC000027564564 FF Annotated Anodyne CCC(=O)SCC(=O)N1CCS[C@H]1COc1ccccc1OC ZINC000027564566 FF Annotated Anodyne Cc1cc(C)c(C(F)(F)P(=O)(O)O)cc1C(F)(F)P(=O)(O)O ZINC000027617553 FF Annotated Anodyne CCN(CC)CCCCN1C(=O)C[C@@]2(CCCc3cc(O)ccc32)C1=O ZINC000027617634 FF Annotated Anodyne CCN(CC)CCCCN1C(=O)C[C@]2(CCCc3cc(O)ccc32)C1=O ZINC000027617641 FF Annotated Anodyne C[C@H]1C[C@@H](C)C[C@@H]([C@H](O)CC2CC(=O)N(Cc3ccccc3)C(=O)C2)[C@H]1O ZINC000027625771 FF Annotated Anodyne C[C@H]1C[C@@H](C)C[C@H]([C@H](O)CC2CC(=O)N(Cc3ccccc3)C(=O)C2)[C@H]1O ZINC000027625777 FF Annotated Anodyne O=C1CCc2cc(OCCCCc3nnnn3-c3ccccc3)ccc2N1 ZINC000027633042 FF Annotated Anodyne in-vivo O=c1oc(OCCBr)c(Cl)c2ccc(N[N+](=O)[O-])cc12 ZINC000027633387 FF Annotated Reactive C=CCOCn1c(CC2=CC=C[C@@H]3C=CC=C[C@H]23)c(CC)c(=O)[nH]c1=O ZINC000027639387 FF Annotated Mild C=CCOCn1c(CC2=CC=C[C@H]3C=CC=C[C@H]23)c(CC)c(=O)[nH]c1=O ZINC000027639392 FF Annotated Mild C=CCOCn1c(CC2=CC=C[C@@H]3C=CC=C[C@@H]23)c(CC)c(=O)[nH]c1=O ZINC000027639398 FF Annotated Mild C=CCOCn1c(CC2=CC=C[C@H]3C=CC=C[C@@H]23)c(CC)c(=O)[nH]c1=O ZINC000027639403 FF Annotated Mild NCc1cc(C(=O)c2cc3c(c(Cl)c2Cl)O[C@H](CO)C3)ccc1O ZINC000027645800 FF Annotated Clean NCc1cc(C(=O)c2cc3c(c(Cl)c2Cl)O[C@@H](CO)C3)ccc1O ZINC000027645807 FF Annotated Clean CONc1nc2oc3ccc(C(C)C)cc3c(=O)c2cc1-c1nnn[nH]1 ZINC000027650422 FF Annotated Bother Nc1nc(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n[nH]1 ZINC000027650637 FF Annotated Anodyne Nc1nc(N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n[nH]1 ZINC000027650642 FF Annotated Anodyne CCNC(=O)O[C@H]1C=C[C@@]23CCN(C)Cc4ccc(OC)c(c42)O[C@H]3C1 ZINC000027654959 FF Annotated Anodyne Cn1c(=O)n(Cc2ccccc2)c(=O)c2c(-c3ccc(F)cc3)ccnc21 ZINC000027655759 FF Annotated Anodyne O=C(NCc1ccccc1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12 ZINC000027656418 FF Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)C4CC4)C=C[C@@]31CCN(C)C2 ZINC000027657414 FF Annotated Anodyne Cn1c(=O)n(Cc2ccccc2)c(=O)c2c(Cc3ccccc3)ccnc21 ZINC000027705972 FF Annotated Anodyne COC(=O)/N=C1\N[C@@H](c2ccccc2)CN1CCOCc1ccccc1 ZINC000027707208 FF Annotated Mild COC(=O)/N=C1\N[C@H](c2ccccc2)CN1CCOCc1ccccc1 ZINC000027707212 FF Annotated Mild Cn1c(=O)n(Cc2ccccc2)c(=O)c2c(-c3ccccc3F)ccnc21 ZINC000027709551 FF Annotated Anodyne CCOC(=O)Nc1cc2c(nc(SCc3ccccc3)n2N)c(N)n1 ZINC000027722662 FF Annotated Anodyne CC(=O)OCC(CCn1cnc2cc(Cl)c(Cl)nc21)COC(C)=O ZINC000027735710 FF Annotated Anodyne CCN(C)[C@@H](C)CN1CCc2c(c(=O)oc3cc(OC)c(OC)cc23)C1 ZINC000027739061 FF Annotated Anodyne CCN(C)[C@H](C)CN1CCc2c(c(=O)oc3cc(OC)c(OC)cc23)C1 ZINC000027739069 FF Annotated Anodyne COc1cc2oc(=O)c3c(c2cc1OC)CCN(C[C@@H](C)N1CCCC1)C3 ZINC000027742355 FF Annotated Anodyne COc1cc2oc(=O)c3c(c2cc1OC)CCN(C[C@H](C)N1CCCC1)C3 ZINC000027742369 FF Annotated Anodyne CCOC(=O)c1ccc(NCCCCNc2nc(N)nc(O)c2N=O)cc1 ZINC000027743276 FF Annotated Anodyne CCCN(C)[C@@H](C)CN1CCc2c(c(=O)oc3cc(OC)c(OC)cc23)C1 ZINC000027743377 FF Annotated Anodyne CCCN(C)[C@H](C)CN1CCc2c(c(=O)oc3cc(OC)c(OC)cc23)C1 ZINC000027743386 FF Annotated Anodyne CCN(CC)[C@@H](C)CN1CCc2c(c(=O)oc3cc(OC)c(OC)cc23)C1 ZINC000027746025 FF Annotated Anodyne CCN(CC)[C@H](C)CN1CCc2c(c(=O)oc3cc(OC)c(OC)cc23)C1 ZINC000027746033 FF Annotated Anodyne CC(C)N(CCCNC(=O)CN1C[C@@H](c2ccccc2)CC1=O)C(C)C ZINC000027752608 FF Annotated Anodyne CC(C)N(CCCNC(=O)CN1C[C@H](c2ccccc2)CC1=O)C(C)C ZINC000027752617 FF Annotated Anodyne CC(C)(C)c1cc(I)c(O)c(CNC2=NCCO2)c1 ZINC000027755430 FF Annotated Clean C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)CN1CC[C@@H](c2ccccc2)C1=O ZINC000027756562 FF Annotated Anodyne C[C@H]1CCC[C@@H](C)N1CCCNC(=O)CN1CC[C@@H](c2ccccc2)C1=O ZINC000027756573 FF Annotated Anodyne C[C@H]1CCC[C@H](C)N1CCCNC(=O)CN1CC[C@@H](c2ccccc2)C1=O ZINC000027756589 FF Annotated Anodyne O=C1[C@@H]2OCCC[C@@H](C(=O)N2Cc2ccccc2)N1Cc1ccccc1 ZINC000027770080 FF Annotated Anodyne C=C[C@@H]1CO[C@H]2C(=O)N(Cc3ccccc3)[C@@H]1C(=O)N2Cc1ccccc1 ZINC000027842845 FF Annotated Mild C=C[C@H]1CO[C@H]2C(=O)N(Cc3ccccc3)[C@@H]1C(=O)N2Cc1ccccc1 ZINC000027842854 FF Annotated Mild Fc1ccc(OC[C@H]2CC[C@H]3CN(c4ncc(F)cn4)CCN3C2)cc1 ZINC000027844951 FF Annotated Anodyne Fc1ccc(OC[C@@H]2CC[C@@H]3CN(c4ncc(F)cn4)CCN3C2)cc1 ZINC000027851346 FF Annotated Anodyne CN(CC#CCN1CCCC1)C(=O)CCCCCNC(=O)OC(C)(C)C ZINC000027851848 FF Annotated Mild CNC(=O)N1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000027853237 FF Annotated Anodyne CNC(=O)N1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000027853244 FF Annotated Anodyne C=C1CCO[C@H]2C(=O)N(Cc3ccccc3)[C@@H]1C(=O)N2Cc1ccccc1 ZINC000027854425 FF Annotated Mild N[C@H]1CCCC[C@H]1NC(=O)c1ccc2c3c(ncnc13)-c1ccccc1C2=O ZINC000027862501 FF Annotated Anodyne COCCNC(=O)c1[nH]cc(-c2ccc(Cl)cc2)c1N1CCOCC1 ZINC000027864592 FF Annotated Anodyne CNCCNC(=O)c1cccc2nc3ccc4c(OC)cccc4c3nc12 ZINC000027864670 FF Annotated Clean NCCCN1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000027867745 FF Annotated Anodyne NCCCN1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000027867752 FF Annotated Anodyne N[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c3c(ncnc13)-c1ccccc1C2=O ZINC000027869303 FF Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1n1ccccc1=O ZINC000027872704 FF Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1n1ccccc1=O ZINC000027872710 FF Annotated Anodyne NS(=O)(=O)c1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1 ZINC000027874406 FF Annotated Anodyne C[C@H](NC(=O)c1ccccc1SC(=O)Nc1ccc(F)cc1)C(N)=O ZINC000027876288 FF Annotated Anodyne O[C@@H]1[C@@H](CCl)O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1O ZINC000027879236 FF Annotated Reactive O[C@@H]1[C@@H](CF)O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1O ZINC000027879266 FF Annotated Anodyne COc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N ZINC000027880739 FF Annotated Anodyne CNC1(C)CN(c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)C1 ZINC000027881508 FF Annotated Anodyne CN(C)C1CN(c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)C1 ZINC000027881515 FF Annotated Anodyne COc1cc2c(cc1OC)C1=C(c3ccccc3OC)C(=O)C(=O)N1CC2 ZINC000027884299 FF Annotated Mild C[C@@H](CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O)C(=O)/C=C/C(C)(C)O ZINC000027888539 FF Annotated Mild C[C@H](CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O)C(=O)/C=C/C(C)(C)O ZINC000027888543 FF Annotated Mild CCNC1CN(c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)C1 ZINC000027889412 FF Annotated Anodyne COc1cc(C(=O)O)ccc1COc1cc(O)c2c(=O)ccn(C)c2c1 ZINC000027889571 FF Annotated Anodyne C[C@@H](CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2)C(=O)/C=C/C(C)(C)O ZINC000027892265 FF Annotated Mild C[C@H](CCC[C@]1(C)OC[C@]2(CC(=O)O)CC[C@H]1O2)C(=O)/C=C/C(C)(C)O ZINC000027892274 FF Annotated Mild CC[C@@]12CCC[C@H]3[C@H](C(=O)NN)Cc4c(n(c5cccc(O)c45)C(=O)C1)[C@H]32 ZINC000027893922 FF Annotated Reactive O=C1COC2(CCN(C[C@H](O)c3ccccc3)CC2)CN1c1ccccc1 ZINC000027980518 FF Annotated Anodyne O=C1COC2(CCN(C[C@@H](O)c3ccccc3)CC2)CN1c1ccccc1 ZINC000027980523 FF Annotated Anodyne CCOC(=O)C1=C[C@H]2C(=O)c3ncccc3C(=O)[C@H]2C(c2ccc(C)cc2)=N1 ZINC000027980561 FF Annotated Anodyne CCOC(=O)C1=C[C@H]2C(=O)c3cccnc3C(=O)[C@H]2C(c2ccc(C)cc2)=N1 ZINC000027981747 FF Annotated Anodyne CC(=O)NC(C)(C)c1ccc(CN2CCN(c3nccs3)CC2)cc1 ZINC000027985911 FF Annotated Anodyne CCOC(=O)C1=C[C@H]2C(=O)c3cccnc3C(=O)[C@H]2C(c2ccccc2)=N1 ZINC000027988486 FF Annotated Anodyne O=C(c1ccccc1)c1cc(Cl)cc2c1S(=O)(=O)C[C@H]2C(=O)O ZINC000027988641 FF Annotated Anodyne O=C(c1ccccc1)c1cc(Cl)cc2c1S(=O)(=O)C[C@@H]2C(=O)O ZINC000027988646 FF Annotated Anodyne CCOC(=O)C1=C[C@H]2C(=O)c3ncccc3C(=O)[C@H]2C(c2ccccc2)=N1 ZINC000027991657 FF Annotated Anodyne CC(=O)N[C@H](C)c1ccc(CN2CCN(c3cccc(F)n3)CC2)cc1 ZINC000027994580 FF Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(CN2CCN(c3cccc(F)n3)CC2)cc1 ZINC000027994586 FF Annotated Anodyne O=C(O)Cc1ccc2c(c1)[C@H]1C[C@@H](O)[C@H](C#C[C@@H](O)C3CCCCC3)[C@H]1C2 ZINC000027996231 FF Annotated Mild NNC(=O)[C@@H]1Cc2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2O1 ZINC000027996687 FF Annotated Reactive NNC(=O)[C@H]1Cc2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2O1 ZINC000027996691 FF Annotated Reactive CC(=O)NC(C)(C)c1ccc(CN2CCN(c3cccc(F)n3)CC2)cc1 ZINC000028001616 FF Annotated Anodyne Cc1nc2nc(-c3ccccc3)nn2c2c1CCN2CCCN1CCCC1 ZINC000028007148 FF Annotated Anodyne O=C(NCCN1CCOCC1)c1cc(Cl)cc2c1O[C@H]1CCCC[C@H]21 ZINC000028007409 FF Annotated Anodyne O=C(NCCN1CCOCC1)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@@H]21 ZINC000028007412 FF Annotated Anodyne O=C(NCCN1CCOCC1)c1cc(Cl)cc2c1O[C@@H]1CCCC[C@H]21 ZINC000028007416 FF Annotated Anodyne COc1cc2sc(/C(O)=N/c3nn[nH]n3)c(OC(C)C)c2cc1OC ZINC000028007497 FF Annotated Mild CC(=O)N1CCS[C@H]1c1cc([N+](=O)[O-])ccc1OCCCN(C)C ZINC000028008381 FF Annotated Bother CC(=O)N1CCS[C@@H]1c1cc([N+](=O)[O-])ccc1OCCCN(C)C ZINC000028008384 FF Annotated Bother COc1cc(CSc2nnc(NC(C)=O)s2)cc(OC)c1OC ZINC000028010716 FF Annotated Anodyne CNC(=O)N1C[C@@H](C)c2cc3c(cc2C(c2ccc(N)cc2)=N1)OCO3 ZINC000028012747 FF Annotated Anodyne CNC(=O)N1C[C@H](C)c2cc3c(cc2C(c2ccc(N)cc2)=N1)OCO3 ZINC000028012752 FF Annotated Anodyne Nc1ccc2c3c(cccc13)C(=O)N([C@@H]1C[N+]3(CCl)CCC1CC3)C2=O ZINC000028017351 FF Annotated Reactive Nc1ccc2c3c(cccc13)C(=O)N([C@H]1C[N+]3(CCl)CCC1CC3)C2=O ZINC000028017356 FF Annotated Reactive COCCC/N=C(\N)Nc1nnc(-c2ccccc2C(F)(F)F)s1 ZINC000028086157 FF Annotated Mild CN(C)CCC/N=C(\N)Nc1nnc(-c2ccccc2C(F)(F)F)s1 ZINC000028086167 FF Annotated Mild CC[C@H](C(=O)OCc1ccc(Cl)cc1)[C@H](CO)Cc1cncn1C ZINC000028090454 FF Annotated Anodyne COc1ccc(CCNC[C@@H](O)C2=COc3ccccc3O2)cc1OC ZINC000028095629 FF Annotated Anodyne COc1ccc(CCNC[C@H](O)C2=COc3ccccc3O2)cc1OC ZINC000028095633 FF Annotated Anodyne Cc1cc2c(s1)S(=O)(=O)N(C)C(C(=O)Nc1ccccc1F)=C2O ZINC000028096386 FF Annotated Anodyne Cc1nn(C)c2c1C(c1ccccc1Cl)=NCCN2CCCN(C)C ZINC000028098566 FF Annotated Anodyne COC(=O)c1ccc(N(C)CC2=Nc3c(cc(N)nc3Cl)NC2)cc1 ZINC000028099339 FF Annotated Anodyne Cc1cc2c(o1)C(C(=O)Nc1ccc(Cl)cc1)=C(O)N(O)S2(=O)=O ZINC000028099619 FF Annotated Anodyne Cc1nn(C)c2c1C(c1cccc(Cl)c1)=NCCN2CCCN(C)C ZINC000028102651 FF Annotated Anodyne O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CC#CCN1CCCC1 ZINC000028105836 FF Annotated Mild CCc1nn(C)c2c1C(c1cccc(F)c1)=NCCN2CCCN(C)C ZINC000028105956 FF Annotated Anodyne CC1(C)Nc2c(ccc(C(=O)c3ccccc3)c2O)O[C@@H]1N1CCOCC1 ZINC000028119386 FF Annotated Anodyne CC1(C)Nc2c(ccc(C(=O)c3ccccc3)c2O)O[C@H]1N1CCOCC1 ZINC000028119394 FF Annotated Anodyne Cc1c(SC2CCCCC2)n(COCBr)c(=O)[nH]c1=O ZINC000028123230 FF Annotated Reactive CNC1=C(C(=O)OC)[C@@H](c2cccc(Cl)c2Cl)C2=C(COC2=O)C1 ZINC000028127088 FF Annotated Anodyne CNC1=C(C(=O)OC)[C@H](c2cccc(Cl)c2Cl)C2=C(COC2=O)C1 ZINC000028127095 FF Annotated Anodyne Nc1ccc(S(=O)(=O)n2cc(C3=CCNCC3)c3cc(F)ccc32)cc1 ZINC000028130533 FF Annotated Anodyne Cc1c(Sc2ccccc2)n(COCc2cccnc2)c(=O)[nH]c1=O ZINC000028134164 FF Annotated Anodyne CN(C)CCCN1C(=O)c2cccc3cc4nc(N)sc4c(c23)C1=O ZINC000028138018 FF Annotated Anodyne C[C@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C#N)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000028221231 FF Annotated Mild CCCCCCS(=O)(=O)c1ccc(Cl)cc1[C@@H]1NC(=O)NC1=O ZINC000028222384 FF Annotated Anodyne CCCCCCS(=O)(=O)c1ccc(Cl)cc1[C@H]1NC(=O)NC1=O ZINC000028222388 FF Annotated Anodyne CCOC(=O)c1ccc(N)c(C[S@@](=O)c2nc3ccc(OC)cc3[nH]2)c1 ZINC000028230401 FF Annotated Anodyne CCOC(=O)c1ccc(N)c(C[S@](=O)c2nc3ccc(OC)cc3[nH]2)c1 ZINC000028230406 FF Annotated Anodyne CCOC(=O)CNc1nc2ccnc(-c3cccc(C(F)(F)F)c3)n2n1 ZINC000028244405 FF Annotated Anodyne O[C@@H](CCl)CNc1nc2ccnc(-c3cccc(C(F)(F)F)c3)n2n1 ZINC000028246032 FF Annotated Reactive O[C@H](CCl)CNc1nc2ccnc(-c3cccc(C(F)(F)F)c3)n2n1 ZINC000028246039 FF Annotated Reactive COc1ccc2c(c1)c1oc(C(C)C)c(S(=O)(=O)O)c1c(=O)n2C ZINC000028249980 FF Annotated Anodyne CCOC(=O)/C=C/c1cnc2n(c1=O)[C@H](C)CC/C2=N\Nc1ccccc1 ZINC000028251723 FF Annotated Mild CCOC(=O)/C=C/c1cnc2n(c1=O)[C@@H](C)CC/C2=N\Nc1ccccc1 ZINC000028251730 FF Annotated Mild Cc1nc2n(c(=O)c1/C=C/C(=O)O)[C@H](C)CC/C2=N\Nc1ccccc1 ZINC000028252461 FF Annotated Mild Cc1nc2n(c(=O)c1/C=C/C(=O)O)[C@@H](C)CC/C2=N\Nc1ccccc1 ZINC000028252468 FF Annotated Mild O=C(Nc1nnn[nH]1)c1cc(=O)c2c(o1)c1ccccc1n2-c1ccccc1 ZINC000028255099 FF Annotated Anodyne CCC(=O)n1c(C(=O)c2ccc(-n3ccnc3C)cc2)c(CC)[nH]c1=O ZINC000028258397 FF Annotated Anodyne C[C@@H](CCn1c(=O)oc2ncccc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000028263849 FF Annotated Anodyne C[C@H](CCn1c(=O)oc2ncccc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000028263854 FF Annotated Anodyne NN(C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccsc1 ZINC000028337619 FF Annotated Reactive CN(C)CCCN1C(=O)c2cccc3c2c(cc2nc(N)sc23)C1=O ZINC000028342409 FF Annotated Anodyne CCCC[C@@H](O)c1c(C/C=C/CO)cc2c(c1OC)C(=O)C=C(OC)C2=O ZINC000028348411 FF Annotated Mild CCCC[C@H](O)c1c(C/C=C/CO)cc2c(c1OC)C(=O)C=C(OC)C2=O ZINC000028348419 FF Annotated Mild CSc1cc(-c2ccc(OCN3CCOCC3)cc2)oc(=O)c1C#N ZINC000028353083 FF Annotated Mild CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(N2CCCC2=O)c1 ZINC000028361184 FF Annotated Anodyne CCNC(=O)Nc1cccc(C(=O)c2c(CC)c(C)[nH]c(=O)c2N(C)C)c1 ZINC000028362277 FF Annotated Anodyne N[S@@](=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1 ZINC000028362456 FF Annotated Anodyne N[S@](=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1 ZINC000028362462 FF Annotated Anodyne C[C@H](Nc1nc(N)nc(NCCc2ccccn2)n1)c1ccc(F)cc1 ZINC000028362697 FF Annotated Anodyne CCCC[C@@H](O)c1c(C/C=C/CO)cc2c(c1O)C(=O)C=C(OC)C2=O ZINC000028363142 FF Annotated Mild CCCC[C@H](O)c1c(C/C=C/CO)cc2c(c1O)C(=O)C=C(OC)C2=O ZINC000028363149 FF Annotated Mild CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4c(c5ccccc5n4[C@@H]2O)CCN[C@@H]13 ZINC000028368938 FF Annotated Anodyne CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4c(c5ccccc5n4[C@H]2O)CCN[C@@H]13 ZINC000028368943 FF Annotated Anodyne C/C=C(\C=C(C)\C=C\CC/C=C(\C)C(=O)[C@]12O[C@H]1[C@H](C)OC2=O)C(=O)OC ZINC000028372046 FF Annotated Mild Cn1nc(-c2ccc(S(C)(=O)=O)cc2)s/c1=N\C1CCCCC1 ZINC000028372377 FF Annotated Anodyne CC[C@H]1C[C@H](CO)C[C@@]2(C(=O)OC)c3[nH]c4ccccc4c3CCN[C@@H]12 ZINC000028372851 FF Annotated Anodyne N#Cc1cc2cccnc2nc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000028381420 FF Annotated Mild Nc1ccc2cccc(OCCCNC(=O)c3ccc4c(c3)OCO4)c2n1 ZINC000028383064 FF Annotated Anodyne c1c[n+](C[C@H]2C[C@@H]2C[n+]2ccc(N3CCCC3)cc2)ccc1N1CCCC1 ZINC000028384360 FF Annotated Anodyne COC[C@@H](C)Nc1nccc(-c2nn3c(c2-c2ccc(F)cc2)OCC3)n1 ZINC000028389974 FF Annotated Anodyne NC(=O)c1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1 ZINC000028456676 FF Annotated Anodyne COc1cc(C2=NN[C@@H](c3ccc(Cl)cc3)[C@@H]2O)cc(OC)c1OC ZINC000028456889 FF Annotated Anodyne COc1cc(C2=NN[C@H](c3ccc(Cl)cc3)[C@@H]2O)cc(OC)c1OC ZINC000028456892 FF Annotated Anodyne COc1cc(C2=NN[C@@H](c3ccc(Cl)cc3)[C@H]2O)cc(OC)c1OC ZINC000028456894 FF Annotated Anodyne COc1cc(C2=NN[C@H](c3ccc(Cl)cc3)[C@H]2O)cc(OC)c1OC ZINC000028456897 FF Annotated Anodyne O=C(O)Cc1cccc(NC(=O)c2cccc(COc3ccccc3)n2)n1 ZINC000028461666 FF Annotated Anodyne Cc1ccc(NC(=S)OCCNC(=O)c2ccccc2C(=O)O)cc1 ZINC000028475462 FF Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)CNC2(C)C)c2ncccc2c1 ZINC000028476995 FF Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1ccccc1[N+](=O)[O-] ZINC000028477710 FF Annotated Bother C[C@@H](CN1C(=O)c2ccccc2C1=O)OC(=S)Nc1ccc(C#N)cc1 ZINC000028477721 FF Annotated Mild C[C@H](CN1C(=O)c2ccccc2C1=O)OC(=S)Nc1ccc(C#N)cc1 ZINC000028477724 FF Annotated Mild COc1ccccc1NC(=S)OCCN1C(=O)c2ccccc2C1=O ZINC000028520835 FF Annotated Anodyne O=C(O)c1ccccc1C(=O)NCCOC(=S)Nc1ccccc1F ZINC000028520875 FF Annotated Anodyne O=C1c2ccccc2C(=O)N1COC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000028520999 FF Annotated Bother Cc1ccccc1NC(=S)OCCNC(=O)c1ccccc1C(=O)O ZINC000028521551 FF Annotated Anodyne O=C(O)c1ccccc1C(=O)NCCOC(=S)Nc1ccc(F)cc1 ZINC000028522106 FF Annotated Anodyne CC(=O)NCn1cc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)c(=O)o1 ZINC000028523070 FF Annotated Anodyne COc1ccc(-c2ccc(-c3cn(CNC(C)=O)oc3=O)cc2)cc1OC ZINC000028523116 FF Annotated Anodyne Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1C ZINC000028524246 FF Annotated Anodyne CC(=O)NCn1cc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c(=O)o1 ZINC000028524334 FF Annotated Bother CC(=O)NCn1cc(-c2ccc(-c3ccc(F)c(C(=O)O)c3)cc2)c(=O)o1 ZINC000028524501 FF Annotated Anodyne COC(=O)c1ccc(-c2ccc(-c3cn(CNC(C)=O)oc3=O)cc2)cc1 ZINC000028524675 FF Annotated Anodyne CC(=O)NCn1cc(-c2ccc(-c3cccc(C(=O)O)c3)cc2)c(=O)o1 ZINC000028524741 FF Annotated Anodyne Cn1c(=O)c(Nc2ccc(NC(=O)c3ccon3)cc2)nc2ccccc21 ZINC000028525111 FF Annotated Anodyne Cn1c(=O)c(Nc2ccc(NC(=O)c3ccno3)cc2)nc2ccccc21 ZINC000028525112 FF Annotated Anodyne C=C1CCC[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H](CO)C/C=C/[C@@H](O)C1)O2 ZINC000028525183 FF Annotated Mild CC(=O)NCn1cc(-c2ccc(-c3ccc(C(=O)O)c(F)c3)cc2)c(=O)o1 ZINC000028525213 FF Annotated Anodyne O=C(O)/C=C/c1ccc(Oc2cc3cc(O)c(O)cc3oc2=O)c(O)c1 ZINC000028525778 FF Annotated Clean Cc1nc(C)c(S(=O)(=O)n2cc(C3=CCCNC3)c3ccccc32)o1 ZINC000028525810 FF Annotated Anodyne O=C(O)/C=C/c1ccc(O)c(Oc2cc3cc(O)c(O)cc3oc2=O)c1 ZINC000028526069 FF Annotated Clean C/C(=N/NC(=O)c1ccncc1)c1cccc(CN2CCCCC2)c1O ZINC000028528673 FF Annotated Reactive Cc1cccc2c1N[P@@](=O)(COCCn1cnc3c(N)ncnc31)OC2 ZINC000028529759 FF Annotated Anodyne CCCCO[C@@H]1Sc2ccc([C@@H](O)Cn3ccnc3)cc2N(C)C1=O ZINC000028530848 FF Annotated Anodyne CCCCO[C@H]1Sc2ccc([C@@H](O)Cn3ccnc3)cc2N(C)C1=O ZINC000028530850 FF Annotated Anodyne CCCCO[C@@H]1Sc2ccc([C@H](O)Cn3ccnc3)cc2N(C)C1=O ZINC000028530852 FF Annotated Anodyne CCCCO[C@H]1Sc2ccc([C@H](O)Cn3ccnc3)cc2N(C)C1=O ZINC000028530854 FF Annotated Anodyne CC1=C2[C@@H]3CC[C@@]4(C)C(=O)O[C@]3(C)[C@H]4[C@@H]3O[C@]23[C@@H](c2ccoc2)OC1=O ZINC000028537293 FF Annotated Anodyne CC(=O)O[C@@H]1C=CC(=O)[C@@]2(CC(=O)O[C@@H]2/C=C(\C)CC[C@H]2OC2(C)C)C1 ZINC000028567022 FF Annotated Mild COc1ccc(-n2cc(-c3cc(OC)c(OC)c(OC)c3)nn2)c(OC)c1 ZINC000028567669 FF Annotated Anodyne C=C(C)C(=O)CC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(C)=O)C=CC2=O ZINC000028567831 FF Annotated Mild CO[C@@]1(C#C[C@@](O)(c2ccccc2)c2cccnc2F)CN2CCC1CC2 ZINC000028567859 FF Annotated Mild CO[C@]1(C#C[C@@](O)(c2ccccc2)c2cccnc2F)CN2CCC1CC2 ZINC000028567860 FF Annotated Mild CO[C@@]1(C#C[C@](O)(c2ccccc2)c2cccnc2F)CN2CCC1CC2 ZINC000028567861 FF Annotated Mild CO[C@]1(C#C[C@](O)(c2ccccc2)c2cccnc2F)CN2CCC1CC2 ZINC000028567862 FF Annotated Mild COc1cc(-c2cn(-c3ccc4c(c3)OCO4)nn2)cc(OC)c1OC ZINC000028568426 FF Annotated Anodyne C=CC[C@H]1COC(C(C)(C)[C@@H](C/C=C\CNC(=O)OC)OC(C)=O)=N1 ZINC000028569722 FF Annotated Mild C=CC[C@H]1COC(C(C)(C)[C@H](C/C=C\CNC(=O)OC)OC(C)=O)=N1 ZINC000028569723 FF Annotated Mild C=CC[C@@H]1COC(C(C)(C)[C@@H](C/C=C\CNC(=O)OC)OC(C)=O)=N1 ZINC000028569724 FF Annotated Mild C=CC[C@@H]1COC(C(C)(C)[C@H](C/C=C\CNC(=O)OC)OC(C)=O)=N1 ZINC000028569725 FF Annotated Mild Cc1c(C(F)(F)F)nn(-c2ccc(S(C)(=O)=O)cn2)c1OC(C)C ZINC000028570547 FF Annotated Anodyne CN(CCCC1(c2ccccc2)C(=O)c2ccccc2C1=O)CC(=O)O ZINC000028571235 FF Annotated Clean O[C@H]1[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccc(Cl)cc3)O[C@H]2[C@@H]1O ZINC000028571529 FF Annotated Anodyne Cn1cnn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O ZINC000028571647 FF Annotated Mild CN(CC[C@@]1(c2ccccc2)C(=O)c2cccc(F)c2C1=O)CC(=O)O ZINC000028571686 FF Annotated Clean CN(CC[C@]1(c2ccccc2)C(=O)c2cccc(F)c2C1=O)CC(=O)O ZINC000028571687 FF Annotated Clean O=C(c1cc(=O)c2c(O)cccc2o1)N1CCN(CC2CCCCC2)CC1 ZINC000028637139 FF Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(-c3ccc(C#N)cc3)cc(C(=O)NN)c12 ZINC000028640135 FF Annotated Reactive COc1cc2c(c(OC)c1)-c1c3c(c(OC)c4c1[C@H](C2)NCC4)OCO3 ZINC000028641553 FF Annotated Anodyne COc1cc(C(=N)N)ccc1-c1cc(-c2cccc(C(=N)N)c2OC)on1 ZINC000028643183 FF Annotated Anodyne O=C(O)CCCNC(=O)NN=C(Cc1ccccc1)Cc1ccccc1 ZINC000028643335 FF Annotated Reactive c1cc(C2=NCCN2)cc(-c2cc(-c3ccc(C4=NCCN4)cc3)on2)c1 ZINC000028643730 FF Annotated Anodyne CCN1CCCC[C@@H]1c1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2)n1 ZINC000028644163 FF Annotated Anodyne CCN1CCCC[C@H]1c1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2)n1 ZINC000028644166 FF Annotated Anodyne c1cc(-c2cc(-c3ccc(C4=NCCN4)cc3)on2)ccc1C1=NCCN1 ZINC000028644207 FF Annotated Anodyne COc1c(C(=N)N)cccc1-c1cc(-c2cccc(C(=N)N)c2OC)on1 ZINC000028644395 FF Annotated Anodyne c1cc(C2=NCCN2)cc(-c2cc(-c3ccc(C4=NCCN4)cc3)no2)c1 ZINC000028644797 FF Annotated Anodyne CNc1ccc(C#Cc2ccc(OCCOCCOCCO)cc2)cc1 ZINC000028644919 FF Annotated Mild O=c1n(Cc2ccc(Br)cc2)nnn1-c1ccc(Cl)cc1 ZINC000028647595 FF Annotated Anodyne O=c1c2ccccc2n2c(CN3CCCC3)nnc2n1Cc1ccccc1 ZINC000028648708 FF Annotated Anodyne COc1c(Br)cc(C=O)c(OC(C)=O)c1Br ZINC000028652090 FF Annotated Anodyne Cc1c(C(=O)c2cccc3ccccc23)n(COCC2CC2)c(=O)[nH]c1=O ZINC000028652478 FF Annotated Anodyne C=CCOCn1c(C(=O)c2cccc3ccccc23)c(CC)c(=O)[nH]c1=O ZINC000028652517 FF Annotated Mild Cc1cc(Cn2nc(O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)oc1C ZINC000028655959 FF Annotated Bother Cc1ccc(Cn2nc(O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)o1 ZINC000028655962 FF Annotated Bother O=c1c2ccc(Cl)cc2[nH]c2c(O)nn(Cc3cccs3)c(=O)c12 ZINC000028655965 FF Annotated Bother CC(=O)NC[C@H]1CN(c2ccc(C(=O)/C=C/c3ccco3)cc2)C(=O)O1 ZINC000028709393 FF Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(C(=O)/C=C/c3ccco3)c(F)c2)C(=O)O1 ZINC000028709401 FF Annotated Mild CC(=O)NCCNc1nc2c(C)cc(C)cc2n1Cc1nc(C)ccc1O ZINC000028710375 FF Annotated Anodyne Nc1ccc2nc(-c3ccc(O)c(O)c3)c(-c3ccc(O)c(O)c3)nc2n1 ZINC000028711129 FF Annotated Clean COc1ccc(Cc2nnc3n2N[C@H](c2cccn2C)S3)cc1OC ZINC000028712929 FF Annotated Anodyne COc1ccc(Cc2nnc3n2N[C@@H](c2cccn2C)S3)cc1OC ZINC000028712930 FF Annotated Anodyne C[C@@H](CN(C)C)Oc1ccc2c3c(oc2c1)C(=O)c1ncccc1C3=O ZINC000028713993 FF Annotated Clean C[C@H](CN(C)C)Oc1ccc2c3c(oc2c1)C(=O)c1ncccc1C3=O ZINC000028713994 FF Annotated Clean C[C@@H](COc1ccc2c3c(oc2c1)C(=O)c1ncccc1C3=O)N(C)C ZINC000028713995 FF Annotated Clean C[C@H](COc1ccc2c3c(oc2c1)C(=O)c1ncccc1C3=O)N(C)C ZINC000028713996 FF Annotated Clean O=C(O)CCCNC(=O)C1CCC2(CC1)CCN(c1ccncc1)CC2 ZINC000028754700 FF Annotated Anodyne O=C(O)CCCCC(=O)N1CCC2(CC1)CCN(c1ccncc1)CC2 ZINC000028756270 FF Annotated Anodyne C[C@@H](CC(=O)O)NC(=O)C1CCC2(CC1)CCN(c1ccncc1)CC2 ZINC000028756476 FF Annotated Anodyne CC(=O)Nc1ccc2c(Cl)c(OCCCSC(=N)N)oc(=O)c2c1 ZINC000028757357 FF Annotated Anodyne CCOC(=O)c1c(C)cc2cnn(-c3ccc(C(=O)O)cc3)c(=O)c2c1C ZINC000028757909 FF Annotated Anodyne CC(=O)NCc1ccc(-c2csc(/N=C(\N)NCC3CCCC3)n2)o1 ZINC000028759076 FF Annotated Mild CCn1cc(C(=O)O)c(=O)c2c(F)c(F)c(N3CCSCC3)c(F)c21 ZINC000028759493 FF Annotated Anodyne CC(=O)NCc1ccc(-c2csc(/N=C(\N)NC3CCCCC3)n2)o1 ZINC000028759495 FF Annotated Mild CNC(=O)OCc1cn2c(c1COC(=O)NC)-c1ccccc1C[C@@H]2C ZINC000028760578 FF Annotated Anodyne CNC(=O)OCc1cn2c(c1COC(=O)NC)-c1ccccc1C[C@H]2C ZINC000028760580 FF Annotated Anodyne CN1c2ccccc2N(C(=O)CNC(C)(C)C)c2ccccc2S1(=O)=O ZINC000028765594 FF Annotated Anodyne CN1c2ccccc2N(C(=O)CN2CCCC2)c2ccccc2S1(=O)=O ZINC000028765802 FF Annotated Anodyne CCCN1c2ccccc2N(C(=O)CN(C)C)c2ccccc2S1(=O)=O ZINC000028766516 FF Annotated Anodyne COc1ccc2c(c1)c(OC)c(/C(O)=N/c1nn[nH]n1)n2-c1ccccc1 ZINC000028768440 FF Annotated Mild CC1(C)Oc2cc([N+](=O)[O-])sc2[C@@H](N2Cc3ccccc3C2=O)[C@@H]1O ZINC000028770713 FF Annotated Bother CCc1ccc(/C=C2\SC(N[C@H](C(N)=O)c3ccc(F)cc3)=NC2=O)o1 ZINC000028816672 FF Annotated Clean COC(OC)[C@@H]1OC(C)(C)O[C@@H]1Cc1cnc2cc(Cl)ccc2n1 ZINC000028817367 FF Annotated Anodyne COC(OC)[C@H]1OC(C)(C)O[C@@H]1Cc1cnc2cc(Cl)ccc2n1 ZINC000028817368 FF Annotated Anodyne COC(OC)[C@@H]1OC(C)(C)O[C@H]1Cc1cnc2cc(Cl)ccc2n1 ZINC000028817370 FF Annotated Anodyne COC(OC)[C@H]1OC(C)(C)O[C@H]1Cc1cnc2cc(Cl)ccc2n1 ZINC000028817372 FF Annotated Anodyne COC(OC)[C@@H]1OC(C)(C)O[C@@H]1Cc1cnc2ccc(Cl)cc2n1 ZINC000028817377 FF Annotated Anodyne COC(OC)[C@H]1OC(C)(C)O[C@@H]1Cc1cnc2ccc(Cl)cc2n1 ZINC000028817379 FF Annotated Anodyne COC(OC)[C@@H]1OC(C)(C)O[C@H]1Cc1cnc2ccc(Cl)cc2n1 ZINC000028817381 FF Annotated Anodyne COC(OC)[C@H]1OC(C)(C)O[C@H]1Cc1cnc2ccc(Cl)cc2n1 ZINC000028817383 FF Annotated Anodyne O=C(N[C@H]1CCc2ccccc21)c1nc(-c2cccs2)[nH]c(=O)c1O ZINC000028820261 FF Annotated Anodyne O=C(N[C@@H]1CCc2ccccc21)c1nc(-c2cccs2)[nH]c(=O)c1O ZINC000028820263 FF Annotated Anodyne COc1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1 ZINC000028821261 FF Annotated Anodyne CN(C)C1(CNCCC2CCSCC2)COc2ccccc2OC1 ZINC000028821277 FF Annotated Anodyne CN(C)C1(CNCCC2CCC(CO)CC2)COc2ccccc2OC1 ZINC000028821282 FF Annotated Anodyne COc1cccc(CNc2nc(C)c([N+](=O)[O-])c(-n3ccnc3C)n2)c1 ZINC000028821418 FF Annotated Bother CN(C)c1ccc(C#Cc2cnc(OCCO)c(Br)c2)cc1 ZINC000028822528 FF Annotated Mild COc1ccc2nc(N3C(=O)[C@]4(C)[C@@H]5CC[C@@H](O5)[C@]4(C)C3=O)sc2c1 ZINC000028822566 FF Annotated Anodyne O=c1c2ccccc2oc2cc(OC[C@@H](O)CBr)cc(O)c12 ZINC000028822783 FF Annotated Reactive O=c1c2ccccc2oc2cc(OC[C@H](O)CBr)cc(O)c12 ZINC000028822784 FF Annotated Reactive CCN(CC)c1nc(NCCO)nc(Nc2cc(Cl)ccc2OC)n1 ZINC000028824331 FF Annotated Anodyne CN(C)CCN1C(=O)c2cccc3c2c(cc2[nH]c(-c4ccc[nH]4)nc23)C1=O ZINC000028825879 FF Annotated Anodyne Cc1nc2c(N[C@H]3c4ccccc4C[C@@H]3O)cc(C(=O)N(C)C)cn2c1C ZINC000028826111 FF Annotated Anodyne Cc1nc2c(O[C@H]3c4ccccc4C[C@@H]3O)cc(C(=O)N(C)C)cn2c1C ZINC000028826113 FF Annotated Anodyne Nn1c(S)nnc1-c1sc(NC(=O)CCl)cc1-c1ccccc1 ZINC000028826975 FF Annotated Reactive CC(=O)Nc1cc(-c2ccccc2)c(-c2nnc3n2NC(=O)CS3)s1 ZINC000028826978 FF Annotated Anodyne CCC[C@H](NC(=O)[C@@H](O)C(C)(C)C)C(=O)Nc1ncc(C(C)C)s1 ZINC000028827427 FF Annotated Anodyne Cc1ccc2c(c1)[n+]([O-])c(C(=O)c1cccs1)c(C(F)(F)F)[n+]2[O-] ZINC000028861757 FF Annotated Anodyne O=C(c1cccs1)c1c(C(F)(F)F)[n+]([O-])c2ccc(F)cc2[n+]1[O-] ZINC000028861777 FF Annotated Anodyne O=C(c1ccco1)c1c(C(F)(F)F)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] ZINC000028861826 FF Annotated Anodyne CN1CC[C@@H](n2cc(S(=O)(=O)c3cccc(F)c3)c3cccnc32)C1 ZINC000028862210 FF Annotated Anodyne CN1CC[C@H](n2cc(S(=O)(=O)c3cccc(F)c3)c3cccnc32)C1 ZINC000028862211 FF Annotated Anodyne CN1CC[C@H](n2cc(S(=O)(=O)c3ccc(F)cc3)c3cccnc32)C1 ZINC000028862217 FF Annotated Anodyne O=S(=O)(c1ccccc1F)c1cn([C@@H]2CCCNC2)c2ncccc12 ZINC000028862355 FF Annotated Anodyne O=S(=O)(c1ccccc1F)c1cn([C@H]2CCCNC2)c2ncccc12 ZINC000028862357 FF Annotated Anodyne O=C(N/N=C/c1cccc(Br)c1)Nc1nnc(S)s1 ZINC000028863629 FF Annotated Reactive O=C(N/N=C/c1ccc(Br)cc1)Nc1nnc(S)s1 ZINC000028863631 FF Annotated Reactive COC1=CC(=O)c2c(COc3ccc([N+](=O)[O-])cc3)c(C)n(C)c2C1=O ZINC000028864286 FF Annotated Mild COC1=CC(=O)c2c(c(COc3ccccc3[N+](=O)[O-])c(C)n2C)C1=O ZINC000028864302 FF Annotated Mild COC1=CC(=O)c2c(COc3ccccc3[N+](=O)[O-])c(C)n(C)c2C1=O ZINC000028864305 FF Annotated Mild COC1=CC(=O)c2c(COc3ccc([N+](=O)[O-])cc3F)c(C)n(C)c2C1=O ZINC000028864316 FF Annotated Mild Cc1c(CN(C)c2ccccc2)c(=O)[nH]c(=O)n1COCc1ccccc1 ZINC000028866844 FF Annotated Anodyne Cc1ccc(NCc2c(C)n(COCc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000028866846 FF Annotated Anodyne Cc1nc2c3c(c(C(=O)N(C)C)cn2c1CO)CC[C@@H](c1ccccc1)O3 ZINC000028867323 FF Annotated Anodyne Cc1nc2c3c(c(C(=O)N(C)C)cn2c1CO)CC[C@H](c1ccccc1)O3 ZINC000028867326 FF Annotated Anodyne NNC(=O)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(Cl)nc1 ZINC000028870642 FF Annotated Reactive Cc1nc2c3c(c(C(=O)NCCO)cn2c1C)CC[C@H](c1ccccc1)C3 ZINC000028871422 FF Annotated Anodyne Cc1nc2c3c(c(C(=O)NCCO)cn2c1C)CC[C@@H](c1ccccc1)C3 ZINC000028871426 FF Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(OC(C)=O)cc(C)cc2c1OC(C)=O ZINC000028871779 FF Annotated Anodyne COc1cc(-c2c(C#N)c(N)nc3c2C(=O)CCC3)cc(OC)c1OC ZINC000028871890 FF Annotated Mild COc1cc2c(c(OC)c1OC)-c1cc3c(cc1Cn1nncc1-2)OCO3 ZINC000028872608 FF Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@H]3OCOC[C@@]23C)[C@@H]1C[C@@H](O)C1=CCOC1=O ZINC000028873846 FF Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3OCOC[C@@]23C)[C@@H]1C[C@H](O)C1=CCOC1=O ZINC000028873850 FF Annotated Mild Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)OCCCO[N+](=O)[O-])O2 ZINC000028876859 FF Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)OCCCO[N+](=O)[O-])O2 ZINC000028876864 FF Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1[C@H]3Cc4ccccc4CN3C(=O)[C@H](C2)N1C ZINC000028880368 FF Annotated Anodyne C[C@@H](CN(C)C)N(C)c1cnc(C(=O)NCC(C)(C)c2ccccc2)cn1 ZINC000028882483 FF Annotated Anodyne C[C@H](CN(C)C)N(C)c1cnc(C(=O)NCC(C)(C)c2ccccc2)cn1 ZINC000028882488 FF Annotated Anodyne CS(=O)(=O)c1ccc(-n2nc(C(F)F)c(C#N)c2NCC2CC2)cc1 ZINC000028883811 FF Annotated Mild c1cc([C@H]2OC[C@H]3OCCC[C@H]3O2)ccc1[C@H]1OC[C@H]2OCCC[C@H]2O1 ZINC000028886052 FF Annotated Anodyne N#Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=N)N)cc1 ZINC000028888466 FF Annotated Mild CCc1ccc(/C=C2\S/C(=N/S(=O)(=O)c3cccs3)NC2=O)o1 ZINC000028888659 FF Annotated Mild CCCS(=O)(=O)C[C@@](C)(O)c1nc2cc(Cl)c(Cl)cc2n1C ZINC000028890426 FF Annotated Anodyne CCCS(=O)(=O)C[C@](C)(O)c1nc2cc(Cl)c(Cl)cc2n1C ZINC000028890431 FF Annotated Anodyne Cc1n[nH]c2c1[C@H](c1cnn(-c3ccccc3)c1Cl)C1=C(COC1=O)N2 ZINC000028891303 FF Annotated Anodyne Cc1n[nH]c2c1[C@@H](c1cnn(-c3ccccc3)c1Cl)C1=C(COC1=O)N2 ZINC000028891307 FF Annotated Anodyne O=C([C@H](O)c1cccc(Cl)c1)N1CCN(c2ccc3[nH]ncc3c2)CC1 ZINC000028891530 FF Annotated Anodyne N[C@@H](C(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1)c1cccc(Cl)c1 ZINC000028891639 FF Annotated Anodyne N[C@H](C(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1)c1cccc(Cl)c1 ZINC000028891643 FF Annotated Anodyne CC1(C)OC(=O)C2(C(=O)O1)[C@@H](c1ccco1)CC(=O)C[C@H]2c1ccco1 ZINC000028893259 FF Annotated Anodyne O=C(O)CCCC(=O)OCc1cc2c(s1)C(=O)c1sccc1C2=O ZINC000028893923 FF Annotated Clean O=C(O)CCNC(=O)c1cccc2c1Cc1c-2n[nH]c1-c1ccsc1 ZINC000028896678 FF Annotated Anodyne Cc1ccc([C@H](O)Cn2c(=N)n(CCCN(C)C)c3ccccc32)cc1 ZINC000028899090 FF Annotated Anodyne Cc1ccc([C@@H](O)Cn2c(=N)n(CCCN(C)C)c3ccccc32)cc1 ZINC000028899095 FF Annotated Anodyne CCc1n[nH]c2c1CCCc1cc(N3C[C@H](CNC(C)=O)OC3=O)ccc1-2 ZINC000028949197 FF Annotated Anodyne NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccno4)n[nH]c2-3)C(=O)O1 ZINC000028949343 FF Annotated Anodyne COCCN(C)c1nc2sc3c(OC)nnnc3c2c2c1CCCC2 ZINC000028949413 FF Annotated Anodyne COc1cc(O)c2c(c1C)C(=O)N1c3cc4c(cc3C(=O)C[C@@H]21)OCO4 ZINC000028950977 FF Annotated Clean COc1cc(O)c2c(c1C)C(=O)N1c3cc4c(cc3C(=O)C[C@H]21)OCO4 ZINC000028950979 FF Annotated Clean C=CCNC(=O)[C@@H](CCCC)N(Cc1ccncc1)C(=O)c1cccnc1 ZINC000028952875 FF Annotated Mild C=CCNC(=O)[C@H](CCCC)N(Cc1ccncc1)C(=O)c1cccnc1 ZINC000028952877 FF Annotated Mild C=CCNC(=O)[C@H](N(CC(C)(C)C)C(=O)c1cccnc1)C(F)(F)F ZINC000028953130 FF Annotated Mild C=CCNC(=O)[C@@H](N(CC(C)(C)C)C(=O)c1cccnc1)C(F)(F)F ZINC000028953132 FF Annotated Mild C=CCNC(=O)[C@@](C)(C(C)C)N(Cc1ccncc1)C(=O)c1cccnc1 ZINC000028953329 FF Annotated Mild C=CCNC(=O)[C@](C)(C(C)C)N(Cc1ccncc1)C(=O)c1cccnc1 ZINC000028953331 FF Annotated Mild C=CCNC(=O)[C@@](C=C)(CC)N(Cc1ccncc1)C(=O)c1cccnc1 ZINC000028953381 FF Annotated Mild C=CCNC(=O)[C@](C=C)(CC)N(Cc1ccncc1)C(=O)c1cccnc1 ZINC000028953382 FF Annotated Mild O=c1[nH]c(N2CC(N3CC=C(c4ccccc4)CC3)C2)nc2ccccc12 ZINC000028954663 FF Annotated Anodyne Cn1c([N+](=O)[O-])cnc1/C=C1\Oc2ccc(Br)cc2C1=O ZINC000028958350 FF Annotated Mild Cn1cnc([N+](=O)[O-])c1/C=C1\Oc2ccc(Br)cc2C1=O ZINC000028958503 FF Annotated Mild O=C(/C=C/c1ccccc1)c1ccc2c(c1)oc(=O)n2CN1CCOCC1 ZINC000028963857 FF Annotated Mild C[C@@H]1CN(C=O)[C@H]2[C@@H]1CC[C@]13COC(=O)CC[C@]21C1=CCC[C@@H]1CCC3=O ZINC000028969656 FF Annotated Anodyne C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1\NC(=O)[C@@](C)(OC)NC1=O ZINC000028972466 FF Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1\NC(=O)[C@](C)(OC)NC1=O ZINC000028972471 FF Annotated Mild COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CC[C@H]1[C@H]([C@H](C)OC)[C@@H]23 ZINC000028974131 FF Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CC[C@H]1[C@H]([C@@H](C)OC)[C@@H]23 ZINC000028974137 FF Annotated Anodyne Cn1c([N+](=O)[O-])cnc1-c1nnc(N/N=C/c2ccccc2Cl)s1 ZINC000028975838 FF Annotated Mild COCCO/N=C(\C)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977052 FF Annotated Mild C#CCO/N=C(\C)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977073 FF Annotated Mild O=C(O)C[C@@H]1S/C(=N\N=C\c2ccccc2)N(c2ccccc2)C1=O ZINC000029038216 FF Annotated Mild O=C(O)C[C@H]1S/C(=N\N=C\c2ccccc2)N(c2ccccc2)C1=O ZINC000029038218 FF Annotated Mild CC[C@@H](C)Cc1nc(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000029038998 FF Annotated Anodyne CC[C@H](C)Cc1nc(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000029039000 FF Annotated Anodyne C[C@@]12CC[C@@]3(O)[C@]4(C)[C@@H](O)CC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(CC1=O)C2 ZINC000029041870 FF Annotated Anodyne C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13CC(=O)[C@@](CO)(CC[C@]12O)C3 ZINC000029041874 FF Annotated Anodyne CC(=O)Oc1ccc(OC(C)=O)c2c1C[C@]1(C)CCC(=O)C(C)=C1C2=O ZINC000029041914 FF Annotated Mild CC(=O)Oc1ccc(OC(C)=O)c2c1C[C@@]1(C)CCC(=O)C(C)=C1C2=O ZINC000029041916 FF Annotated Mild COc1ccc2c(c1C(=O)O)-c1c3c(c(OC)c4c1[C@H](C2)NCC4)OCO3 ZINC000029042021 FF Annotated Anodyne COc1cc2c(cc1O)C(=O)c1nccc3c(OC)c4c(c-2c13)OCO4 ZINC000029042045 FF Annotated Anodyne CC(C)=CCC[C@@](O)(CO)[C@@H]1CC[C@]2(CO1)O[C@H]2CCc1ccoc1 ZINC000029042181 FF Annotated Anodyne CC(C)=CCC[C@](O)(CO)[C@H]1CC[C@@]2(CO1)O[C@@H]2CCc1ccoc1 ZINC000029042221 FF Annotated Anodyne CC(C)=CCC[C@@]1(CO)O[C@@H]1CC[C@@]1(CO)O[C@@H]1CCc1ccoc1 ZINC000029042226 FF Annotated Anodyne CCS(=O)(=O)CCSc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000029043813 FF Annotated Bother CCS(=O)(=O)CCSc1nnc(-c2ccccc2[N+](=O)[O-])s1 ZINC000029043824 FF Annotated Bother CCS(=O)(=O)CCSc1nnc(-c2ccc([N+](=O)[O-])s2)s1 ZINC000029043949 FF Annotated Bother COC1=CC(=O)c2nc(-c3cc(OC)c(OC)c(OC)c3)ccc2C1=O ZINC000029054286 FF Annotated Mild COC(=O)c1cncn1[C@H](C)c1cccc(I)c1 ZINC000029054842 FF Annotated Anodyne O=C(c1ccc[nH]1)c1cnn2c1n[n+]([O-])c1ccc(Oc3ccccc3)cc12 ZINC000029057338 FF Annotated Anodyne C[C@@H]1C(=O)NN=C(c2ccc(N)c(Cl)c2)c2cc3c(cc21)OCCO3 ZINC000029123854 FF Annotated Anodyne C[C@H]1C(=O)NN=C(c2ccc(N)c(Cl)c2)c2cc3c(cc21)OCCO3 ZINC000029123856 FF Annotated Anodyne N=C(N)c1ccc(-c2cn3c(n2)CC[C@@H](c2ccc(C(=N)N)cc2)C3)cc1 ZINC000029124328 FF Annotated Anodyne CCN(CC)CCN1C(=O)C(c2cccs2)=C(c2cccn2C)C1=O ZINC000029124542 FF Annotated Anodyne Cc1cn2cc(C(=O)N3CCOCC3)cc2c(C#Cc2ccsc2)n1 ZINC000029125093 FF Annotated Mild COc1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(C)CC[C@]3(C)O2)ccc1-c1cnco1 ZINC000029126838 FF Annotated Anodyne COc1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C)CC[C@@]3(C)O2)ccc1-c1cnco1 ZINC000029126839 FF Annotated Anodyne O=C1c2nc3cc(-c4ccco4)nn3c(O)c2CN1Cc1ccc(F)cc1 ZINC000029128180 FF Annotated Anodyne NC(=O)[C@@]12CCCC[C@@H](CC1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000029128409 FF Annotated Anodyne NC(=O)[C@]12CCCC[C@H](CC1)[C@@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000029128410 FF Annotated Anodyne CN(c1cccn(O)c1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000029128865 FF Annotated Anodyne COc1cc(-n2c(-c3ccccc3)cn(C(C)=O)c2=O)cc(OC)c1OC ZINC000029130365 FF Annotated Anodyne COc1ccc(-c2c[nH]c(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000029130749 FF Annotated Anodyne O=C(NO)c1cc2ccc(NS(=O)(=O)Cc3ccccc3)cc2s1 ZINC000029133220 FF Annotated Anodyne NC(N)=N/N=C/c1c(-c2cc(Cl)sc2Cl)nc2n1CCS2 ZINC000029133571 FF Annotated Mild NCCN/C(S)=N/c1c(Br)cccc1Br ZINC000029204331 FF Annotated Mild c1ccc2c(c1)O[C@@H](N1CCCCC1)c1cnc(N3CCOCC3)nc1-2 ZINC000029207369 FF Annotated Anodyne c1ccc2c(c1)O[C@H](N1CCCCC1)c1cnc(N3CCOCC3)nc1-2 ZINC000029207373 FF Annotated Anodyne c1ccc2c(c1)O[C@H](N1CCOCC1)c1cnc(N3CCCCC3)nc1-2 ZINC000029209837 FF Annotated Anodyne c1ccc2c(c1)O[C@@H](N1CCOCC1)c1cnc(N3CCCCC3)nc1-2 ZINC000029209842 FF Annotated Anodyne CN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(=O)(=O)CC(F)(F)F ZINC000029215674 FF Annotated Anodyne N#CCCNC(=O)CCn1c2c(c3ccccc31)C(=O)CN1CCCC[C@@H]21 ZINC000029220818 FF Annotated Mild N#CCCNC(=O)CCn1c2c(c3ccccc31)C(=O)CN1CCCC[C@H]21 ZINC000029220823 FF Annotated Mild CCc1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)/N=c1\[nH]ccn1C ZINC000029233994 FF Annotated Anodyne Cc1c[nH]/c(=N\C(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)s1 ZINC000029238637 FF Annotated Anodyne CCc1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)/N=c1/[nH]cco1 ZINC000029239237 FF Annotated Anodyne COc1cc2c(cc1OC)-c1cc(Nc3ccc(O)cc3)nc(=O)n1CC2 ZINC000029248514 FF Annotated Anodyne COc1ccc2sc3c(N)ccc4c3c(nn4CCNCCO)c2c1 ZINC000029311718 FF Annotated Bother Nc1cc(O)c([C@@]2(O)C(=O)Nc3cc(C(F)(F)F)ccc32)cc1Cl ZINC000029313757 FF Annotated Anodyne CCN(CC)c1ccc(-c2cc(C)cc(C(=O)Nc3nnn[nH]3)n2)cc1 ZINC000029313871 FF Annotated Anodyne COc1c(OC)c(OC(C)=O)c2c(NC(C)=O)cccc2c1OC(C)=O ZINC000029319650 FF Annotated Anodyne O=C(O)CCN1CCN(CCOC2c3ccccc3-c3ccccc32)CC1 ZINC000029321355 FF Annotated Anodyne Cc1cc(-n2cc(I)nc2C)cc2ccc(=O)[nH]c12 ZINC000029323447 FF Annotated Anodyne CCNCc1cc(OC)c2c(c1)C(=O)c1cc(OC)cc(OC)c1C2=O ZINC000029338253 FF Annotated Clean Cc1ccc(Cn2c(O)nc3c(N(C)C)nc(C(F)(F)F)nc32)cc1 ZINC000029339066 FF Annotated Anodyne Cc1cn(-c2cc(C)c3[nH]c(=O)ccc3c2)c(I)n1 ZINC000029340835 FF Annotated Anodyne C=Cc1csc(Sc2cc3c(cc2NS(C)(=O)=O)COC3=O)n1 ZINC000029341535 FF Annotated Anodyne Cc1nn(C)c(NC(=O)C(C)(C)N2CCCC2)c1C(=O)c1ccccc1F ZINC000029342242 FF Annotated Anodyne Cc1nn(C)c(NC(=O)[C@@H](C)N2CCCC2)c1C(=O)c1ccccc1F ZINC000029342321 FF Annotated Anodyne Cc1nn(C)c(NC(=O)[C@H](C)N2CCCC2)c1C(=O)c1ccccc1F ZINC000029342323 FF Annotated Anodyne Cc1nn(C)c(NC(=O)CN2CCCCC2)c1C(=O)c1ccccc1F ZINC000029344210 FF Annotated Anodyne NCc1cc(C(=O)c2ccc(OCCO)c(Cl)c2Cl)ccc1O ZINC000029344483 FF Annotated Clean COc1cccc2c1C(=O)c1c(OC)cc(CNCCCl)cc1C2=O ZINC000029344502 FF Annotated Reactive CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(CN)c2)c(Cl)c1 ZINC000029344840 FF Annotated Clean COc1ccc2c(c1)N=C(N1CCN(CCO)CC1)c1cscc1O2 ZINC000029345697 FF Annotated Anodyne NCCOc1ccc(C(=O)c2ccc(O)c(CN)c2)c(Cl)c1Cl ZINC000029345794 FF Annotated Clean CCN(CC)Cc1cc(O)c2c(c1)C(=O)c1cc(OC)cc(O)c1C2=O ZINC000029346110 FF Annotated Clean CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(CN)c2)cc1Cl ZINC000029347762 FF Annotated Clean COc1cc2c(cc1O)O[C@@H](C[C@H](c1ccc3c(c1)OCO3)[C@@H](C)O)C2 ZINC000029390027 FF Annotated Anodyne COc1cc2c(cc1O)O[C@@H](C[C@H](c1ccc3c(c1)OCO3)[C@H](C)O)C2 ZINC000029390030 FF Annotated Anodyne Cc1ccc(Cn2c(=O)n(C)c3c(N(C)C)nc(C(F)(F)F)nc32)cc1 ZINC000029391664 FF Annotated Anodyne Cc1nn(C)c(NC(=O)CCN2CCCC2)c1C(=O)c1ccccc1F ZINC000029396273 FF Annotated Anodyne CCOC(=O)/C=C/c1cc(CN(CC)Cc2ccncc2)cc(C(N)=O)c1 ZINC000029404631 FF Annotated Anodyne CN(C)CCNc1ccc(Cl)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000029405148 FF Annotated Clean CN(C)CCCNc1ccc(Cl)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000029406235 FF Annotated Clean COc1cc2c(cc1OC)-c1c(N)c3cc(OC)c(OC)cc3c[n+]1CC2 ZINC000029406918 FF Annotated Anodyne CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(N)c(N3CCSCC3)cc21 ZINC000029414120 FF Annotated Anodyne Cc1cc(-c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCC4)cc(C)n1 ZINC000029415275 FF Annotated Anodyne Cc1cc(NC(=O)C(=O)c2cn(Cc3nccn3C)c3ccccc23)no1 ZINC000029416579 FF Annotated Anodyne O=C1c2c(c(=O)n3nccc3n2Cc2ccccc2)CN1C1CCCCC1 ZINC000029416597 FF Annotated Anodyne CC[C@@H](C)C(=O)C(=O)NCCc1c(-c2ccc[n+](C)c2)[nH]c2ccccc12 ZINC000029417085 FF Annotated Anodyne CC[C@H](C)C(=O)C(=O)NCCc1c(-c2ccc[n+](C)c2)[nH]c2ccccc12 ZINC000029417088 FF Annotated Anodyne CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1cccc(C(=O)O)c1 ZINC000029462822 FF Annotated Anodyne CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](NCCN)[C@@]4(C)C[C@H](O)[C@@H]32)C1 ZINC000029468197 FF Annotated Anodyne CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](NCCN)[C@@]4(C)C[C@H](O)[C@@H]32)C1 ZINC000029468200 FF Annotated Anodyne CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(NC=O)cc1 ZINC000029469211 FF Annotated Anodyne CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1cccc(NC=O)c1 ZINC000029469485 FF Annotated Anodyne CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccccc1[N+](=O)[O-] ZINC000029469659 FF Annotated Bother CC[C@@H](C)C(=O)C(=O)NCCn1c(-c2ccccc2)[n+](C)c2ccccc21 ZINC000029470099 FF Annotated Anodyne CC[C@H](C)C(=O)C(=O)NCCn1c(-c2ccccc2)[n+](C)c2ccccc21 ZINC000029470103 FF Annotated Anodyne CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(C(=O)O)cc1 ZINC000029470281 FF Annotated Anodyne COc1ccccc1Cn1cnc2c(N(C)C)nc(C(F)(F)F)nc21 ZINC000029470522 FF Annotated Anodyne CCN1CCC[C@H]1CNC(=O)c1cc(Br)cc2c1OCC2 ZINC000029472310 FF Annotated Anodyne COc1cccc(Cn2cnc3c(N(C)C)nc(C(F)(F)F)nc32)c1 ZINC000029472467 FF Annotated Anodyne O=C(c1cccs1)c1c2cc(F)c(Cl)cc2n2c(=O)[nH]c(=O)oc12 ZINC000029475295 FF Annotated Anodyne CC1(C)C(=O)c2ccc(Br)cc2[C@]2(c3cccc[n+]3[O-])O[C@H]12 ZINC000029481999 FF Annotated Anodyne CC1(C)C(=O)c2ccc(Br)cc2[C@@]2(c3cccc[n+]3[O-])O[C@@H]12 ZINC000029482002 FF Annotated Anodyne CC(C)CCn1c(C(=O)O)cc(=O)c2cc3c(=O)cc(C(=O)O)oc3cc21 ZINC000029545653 FF Annotated Bother COc1cc2c(c(O)c1OC)C(=O)[C@]1(OC)C=C[C@H]2N(c2ccccc2)O1 ZINC000029546041 FF Annotated Anodyne CC(C)OP(=O)(COCCSc1cc(N)nc(N)n1)OC(C)C ZINC000029556118 FF Annotated Anodyne C[C@@H](c1cccc(N)c1)n1c(Br)nc2c(N(C)C)ncnc21 ZINC000029560071 FF Annotated Anodyne C[C@H](c1cccc(N)c1)n1c(Br)nc2c(N(C)C)ncnc21 ZINC000029560075 FF Annotated Anodyne COc1ccccc1NC(=O)C1=C(Nc2ccccc2OC)OCC1=O ZINC000029564341 FF Annotated Mild CCCOC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)cc(C)cc1O ZINC000029566696 FF Annotated Anodyne NC(N)=Nc1nc(C(=O)Nc2nc3c(Cl)cccc3s2)cs1 ZINC000029570416 FF Annotated Mild CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)O2)O1 ZINC000029572001 FF Annotated Anodyne COC(=O)[C@@]12COCC[C@H]3[C@@H]1CC[N@@+](C)([O-])[C@H]3c1c2[nH]c2ccccc12 ZINC000299806739 FF Annotated Bother COc1cc(C/N=C(/S)NN=C(C)c2ccccn2)cc(OC)c1OC ZINC000299810716 FF Annotated Mild Cn1c(=O)n(C)c2cc(C=NN=c3[nH]cc(-c4ccccc4)s3)ccc21 ZINC000299811132 FF Annotated Mild C[C@@H]1CC[C@@H]2C(=O)O[C@H](CO)CN2[C@H]1c1ccc(Br)cc1 ZINC000299813006 FF Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)O[C@@H](CO)CN2[C@H]1c1ccc(Br)cc1 ZINC000299813007 FF Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](C#CCCCc2ccccc2)C=C[C@H]1OC(C)=O ZINC000299813193 FF Annotated Mild CC[C@@H]1CSC(/C=C/[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)=N1 ZINC000299815461 FF Annotated Anodyne CC[C@@H]1CSC(/C=C/[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]23)=N1 ZINC000299815463 FF Annotated Anodyne CC[C@@H]1CSC(/C=C/[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@@H]23)=N1 ZINC000299815465 FF Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@H]2[C@@H]3[C@H]4C[C@H]2[C@@H]2[C@@H]4[C@@H]([C@H]3O)[C@H]12 ZINC000299815476 FF Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@H]2[C@H]3[C@H](O)[C@H]4[C@@H]5[C@@H]3C[C@H]2[C@H]5[C@H]41 ZINC000299815478 FF Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@H](O)[C@H]2[C@H]4[C@@H]3[C@H]21 ZINC000299815479 FF Annotated Anodyne CC(C)=CCC/C(C)=C/CNCCN[C@@H]1[C@@H]2[C@H]3C[C@@H]4[C@H]2[C@H](O)[C@@H]2[C@H]4[C@@H]3[C@@H]12 ZINC000299815480 FF Annotated Anodyne C[C@@H]1CC(=O)[C@H]([C@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)[C@@H](C)C1 ZINC000299816489 FF Annotated Anodyne C[C@@H]1CC(=O)[C@H]([C@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)[C@H](C)C1 ZINC000299816490 FF Annotated Anodyne O=C1N[C@@H]2[C@@H]3O[C@@H](O1)[C@@H]2CC3(OCc1ccccc1)OCc1ccccc1 ZINC000299816804 FF Annotated Anodyne C[C@@]12CC/C=C(/CO)CC[C@@H]3/C(=C\c4ccc(N)cc4)C(=O)O[C@@H]3[C@@H]1O2 ZINC000299818878 FF Annotated Anodyne COc1ccc(-c2cn(CCCN3C(=O)COc4ccccc43)nn2)cc1 ZINC000299819248 FF Annotated Anodyne CCCOC(=O)Cc1cc(OC)c(OCC(=O)N(CC)CC)cc1F ZINC000299819633 FF Annotated Anodyne CCn1nccc1Oc1cc(C[C@@H]2C[C@@](C)(O)C2)cnc1NC(=O)NC ZINC000299819646 FF Annotated Anodyne CCn1nccc1Oc1cc(C[C@@H]2C[C@](C)(O)C2)cnc1NC(=O)NC ZINC000299819647 FF Annotated Anodyne Cc1ccc(S(=O)(=O)n2cnc3c(N4CCC(C)CC4)ncnc32)cc1 ZINC000299819882 FF Annotated Anodyne CCN(CC)C(=O)COc1ccc(CC(=O)OC(C)C)c(F)c1OC ZINC000299820403 FF Annotated Anodyne O=C(NCC1CCOCC1)c1nn(-c2ccc(F)cc2F)c2c1C[C@H]1C[C@@H]21 ZINC000299820424 FF Annotated Anodyne NC(=O)c1c(F)ccc(OC[C@H]2COc3ccc(Cl)cc3O2)c1F ZINC000299820554 FF Annotated Anodyne NC(=O)c1c(F)ccc(OC[C@@H]2COc3ccc(Cl)cc3O2)c1F ZINC000299820559 FF Annotated Anodyne CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1F ZINC000299821262 FF Annotated Anodyne COc1ccc(NC(=O)[C@@H](C)Nc2nc(O)c3cnn(C(C)C)c3n2)cc1 ZINC000299821467 FF Annotated Anodyne C[C@@H]1COCCN1c1nc(-c2c(F)ncc3[nH]ccc23)cc2c1ncn2C ZINC000299821706 FF Annotated Anodyne COc1ccc2c(c1)c1c(n2C)[C@@H]2C[C@H]3[C@@H](CO)[C@H](C)OC[C@H]3[C@H](C1)N2C ZINC000299821811 FF Annotated Anodyne CCCOC(=O)Cc1cc(F)c(OCC(=O)N(CC)CC)c(OC)c1 ZINC000299821967 FF Annotated Anodyne O=C1C=C(NCc2ccc(F)cc2)C(=O)C=C1NCc1ccc(F)cc1 ZINC000299822430 FF Annotated Mild CCCOC(=O)Cc1cc(F)c(OCC(=O)N(CC)CC)c(OCC)c1 ZINC000299822587 FF Annotated Anodyne C[C@@]1(c2ccc(O)cc2)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]3(C)c1ccc(O)cc1 ZINC000299822985 FF Annotated Anodyne C[C@@]1(c2ccc(O)cc2)O[C@H]2CO[C@@H]3N2[C@H]1O[C@@]3(C)c1ccc(O)cc1 ZINC000299822986 FF Annotated Anodyne C[C@@]1(c2ccc(O)cc2)O[C@@H]2N3[C@H](CO[C@H]31)O[C@]2(C)c1ccc(O)cc1 ZINC000299822987 FF Annotated Anodyne C[C@]1(c2ccc(O)cc2)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]3(C)c1ccc(O)cc1 ZINC000299822989 FF Annotated Anodyne COc1cc(C(=O)c2c(O)cc3c(c2O)CCC(C)(C)O3)cc(O)c1O ZINC000299823218 FF Annotated Clean CCOC(=O)C/C(C)=N/NC(=O)Cn1c(-c2ccco2)nc2ccccc21 ZINC000299825716 FF Annotated Reactive CCN(CC)CC[C@]1(C(=O)/C=C/c2ccc(O)c(OC)c2)CCOC1=O ZINC000299826290 FF Annotated Mild CCN(CC)CC[C@@]1(C(=O)/C=C/c2ccc(O)c(OC)c2)CCOC1=O ZINC000299826293 FF Annotated Mild COc1ccc(C#N)cc1Sc1ccc2nnc(-c3cnn(C)c3)n2n1 ZINC000299826430 FF Annotated Mild CN(C)c1ccc(/C=C/C(=O)[C@]2(CCN3CCCC3)CCOC2=O)cc1 ZINC000299826474 FF Annotated Mild CN(C)c1ccc(/C=C/C(=O)[C@@]2(CCN3CCCC3)CCOC2=O)cc1 ZINC000299826477 FF Annotated Mild c1cc2ccc1CNc1cc[n+](cc1)CCOCC[n+]1ccc(cc1)NC2 ZINC000299826487 FF Annotated Anodyne Cc1ccc(O)c(/C=N/NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000299826707 FF Annotated Mild C/C=C1\C(=O)OC[C@H]2[C@@H]3Cc4c(n(C)c5ccc(OC)cc45)[C@H](C[C@@H]12)N3 ZINC000299826756 FF Annotated Anodyne COc1cc(C(=O)c2cc(C#N)c3c(C#N)cccn23)cc(OC)c1OC ZINC000299827970 FF Annotated Mild NC(=O)c1c(F)ccc(OC[C@@H]2COc3cc(Cl)ccc3O2)c1F ZINC000299827980 FF Annotated Anodyne NC(=O)c1c(F)ccc(OC[C@H]2COc3cc(Cl)ccc3O2)c1F ZINC000299827981 FF Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@@H]1[C@H]2OC(=O)C[C@H]2O[C@@H]1Cc1ccccc1 ZINC000299828484 FF Annotated Anodyne O=c1ccc2cc(OCc3cn(-c4cccc([N+](=O)[O-])c4)nn3)ccc2o1 ZINC000299828544 FF Annotated Bother COc1cc(C(=O)c2cc(C#N)c3cc(C#N)ccn23)cc(OC)c1OC ZINC000299828710 FF Annotated Mild CC1(C)C[C@@H](NC(=O)NC2=CC=C[C@@H]3NN=C[C@@H]23)c2ccc(F)cc2O1 ZINC000299828924 FF Annotated Anodyne C[C@@]1(c2ccccc2O)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]3(C)c1ccccc1O ZINC000299828925 FF Annotated Anodyne CC1(C)C[C@@H](NC(=O)NC2=CC=C[C@H]3NN=C[C@H]23)c2ccc(F)cc2O1 ZINC000299828928 FF Annotated Anodyne C[C@@]1(c2ccccc2O)O[C@H]2CO[C@@H]3N2[C@H]1O[C@@]3(C)c1ccccc1O ZINC000299828929 FF Annotated Anodyne CC1(C)C[C@@H](NC(=O)NC2=CC=C[C@H]3NN=C[C@@H]23)c2ccc(F)cc2O1 ZINC000299828931 FF Annotated Anodyne C[C@]1(c2ccccc2O)O[C@H]2CO[C@@H]3N2[C@H]1O[C@]3(C)c1ccccc1O ZINC000299828932 FF Annotated Anodyne CC1(C)C[C@@H](NC(=O)NC2=CC=C[C@@H]3NN=C[C@H]23)c2ccc(F)cc2O1 ZINC000299828934 FF Annotated Anodyne CCCOC(=O)Cc1cc(OCC)c(OCC(=O)N(CC)CC)cc1F ZINC000299829104 FF Annotated Anodyne COc1cccc(S(=O)(=O)N2CCc3cc(-c4cccnc4)cnc32)c1 ZINC000299830624 FF Annotated Anodyne c1cc2cc(c1)CNc1cc[n+](cc1)CCOCC[n+]1ccc(cc1)NC2 ZINC000299830895 FF Annotated Anodyne CCN(CC)CCC(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC000299831072 FF Annotated Clean CCOC(=O)Cc1cc(OCC)c(OCC(=O)N(CC)CC)cc1F ZINC000299831258 FF Annotated Anodyne CN1CCN(C)/C(=N/c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccsc2)C1 ZINC000299831284 FF Annotated Mild Nc1nc(N)c([C@@H](C[N+](=O)[O-])c2ccc(F)cc2)c(NC2CCCCC2)n1 ZINC000299832461 FF Annotated Bother Nc1nc(N)c([C@H](C[N+](=O)[O-])c2ccc(F)cc2)c(NC2CCCCC2)n1 ZINC000299832464 FF Annotated Bother c1cncc(-c2ccc(-c3nnnn3CCCCN3CCOCC3)cc2)c1 ZINC000299832473 FF Annotated Anodyne CO[C@@H]1CC(=O)C2=CCCC3(Oc4cccc5cccc(c45)O3)[C@@H]2[C@@H]1O ZINC000299832662 FF Annotated Mild CC1(C)CC(=O)C([C@@H](c2ccccc2)c2c(O)nc(O)nc2O)=C(O)C1 ZINC000299833080 FF Annotated Mild CC1(C)CC(=O)C([C@H](c2ccccc2)c2c(O)nc(O)nc2O)=C(O)C1 ZINC000299833081 FF Annotated Mild Cc1ccc(C2=NC(=O)/C(=C/c3cccc(S(N)(=O)=O)c3)S2)cc1 ZINC000299833293 FF Annotated Clean CCOc1cc(CC(=O)OC(C)C)cc(F)c1OCC(=O)N(CC)CC ZINC000299834197 FF Annotated Anodyne CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H]1n1cc(CCCCl)nn1 ZINC000299834317 FF Annotated Reactive CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]1n1cc(CCCCl)nn1 ZINC000299834319 FF Annotated Reactive Brc1ccc(Nc2nc3ccc(N4CCNCC4)cc3[nH]2)nc1 ZINC000299834393 FF Annotated Anodyne CCC(C)(C)C(=O)N1CCN(c2noc(-c3ccccc3OC)n2)CC1 ZINC000299834594 FF Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccc(O)cc1 ZINC000299834689 FF Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cccc(N)c1 ZINC000299834811 FF Annotated Anodyne CN1CCN(C)/C(=N/c2cc(F)c(C#N)cc2C(=O)Nc2ccccc2)C1 ZINC000299835232 FF Annotated Mild COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cccnc1 ZINC000299835260 FF Annotated Anodyne c1ccc(-c2ccc(-n3nnnc3CCCCN3CCOCC3)cc2)cc1 ZINC000299835527 FF Annotated Anodyne COc1ccc(OC)c(Sc2ccc3nnn(-c4cnn(C)c4)c3n2)c1 ZINC000299835561 FF Annotated Anodyne C[C@@]12CC[C@H]3[C@]4(C)[C@@H](O)CC[C@@](C)(C(=O)O)[C@H]4C[C@@H](O)[C@]3(C/C1=N\O)C2 ZINC000299835617 FF Annotated Mild CCOc1c(OCC(=O)N(CC)CC)ccc(CC(=O)OC(C)C)c1F ZINC000299835686 FF Annotated Anodyne COc1ccc(C(=O)/C(=N\C2CCCC2)n2ncc(C#N)c2N)c(F)c1 ZINC000299836419 FF Annotated Mild COC(=O)C1=C(C)Oc2ccc(Cl)cc2[C@@H]1[C@H](C(C)=O)C(=O)OC ZINC000299836466 FF Annotated Anodyne CCCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccc(OC)cc3)[C@@H]2C1 ZINC000299836471 FF Annotated Reactive C[C@]12CCCO[C@@H]1[C@]1(CSC(N)=N1)c1cc(-c3cncnc3)ccc1O2 ZINC000299837260 FF Annotated Anodyne CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1F ZINC000299837653 FF Annotated Anodyne COC(=O)C(CC1=NOC(C)(C)C[C@H]1c1ccc(OC)cc1)C(=O)OC ZINC000299837690 FF Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)NC1CCCCC1 ZINC000299837794 FF Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cccc(O)c1 ZINC000299837822 FF Annotated Anodyne COc1c(Br)cc(S(=O)(=O)N(C)C)c2ccc(C)nc12 ZINC000299838157 FF Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccccn1 ZINC000299838167 FF Annotated Anodyne CCOc1c(Br)cc(S(=O)(=O)N(C)C)c2ccc(C)nc12 ZINC000299838219 FF Annotated Anodyne c1cc(NC2=NCCN2)cc(Sc2ccc(NC3=NCCN3)cc2)c1 ZINC000299838434 FF Annotated Anodyne COc1cc([C@H]2O[C@H](O)[C@H]3[C@@H](c4ccc(O)c(OC)c4)OC[C@@H]23)ccc1O ZINC000299838818 FF Annotated Anodyne COc1cc([C@H]2O[C@H](O)[C@@H]3[C@@H](c4ccc(O)c(OC)c4)OC[C@@H]23)ccc1O ZINC000299838819 FF Annotated Anodyne COC(=O)C(CC1=NO[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[C@H]1c1ccccc1)C(=O)OC ZINC000299838996 FF Annotated Anodyne CN1CCN(C)/C(=N/c2ccc(C#N)cc2C(=O)Nc2ccccc2F)C1 ZINC000299839281 FF Annotated Mild COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccncc1 ZINC000299839391 FF Annotated Anodyne CCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1F ZINC000299839926 FF Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccc(N)cc1 ZINC000299840513 FF Annotated Clean COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)N(O)c1ccccc1 ZINC000299840519 FF Annotated Anodyne O=C1OCCOc2cc(F)ccc2Nc2ncnc3[nH]c4c(c23)C[C@H]1CC4 ZINC000299840567 FF Annotated Anodyne CCOC(=O)Cc1cc(F)c(OCC(=O)N(CC)CC)c(OCC)c1 ZINC000299840624 FF Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)NNc1ccccc1 ZINC000299840693 FF Annotated Reactive CCN(CC)C(=O)COc1cc(F)c(CC(=O)OC(C)C)cc1OC ZINC000299841275 FF Annotated Anodyne CCn1nccc1Oc1cc(CCCC(C)(C)O)cnc1NC(=O)NC ZINC000299841340 FF Annotated Anodyne CCN(CC)C(=O)COc1c(F)cc(CC(=O)OC(C)C)cc1OC ZINC000299841414 FF Annotated Anodyne CCOc1cc(CC(=O)OC(C)C)c(F)cc1OCC(=O)N(CC)CC ZINC000299841427 FF Annotated Anodyne COc1ccc2c(c1OC)CC[C@H](N[C@H](C)[C@H](O)c1ccc(O)cc1)C2 ZINC000299841513 FF Annotated Anodyne CO[C@H]1CCN(Cc2cccc(C)n2)[C@H]2CN(Cc3ccncc3)C[C@@H]12 ZINC000299841707 FF Annotated Anodyne O=C1[C@H]2CCN(Cc3ccoc3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC000299841711 FF Annotated Anodyne O=C(c1ccc2[nH]ccc2c1)N1CC[C@H]2CN(CC3CC3)CCO[C@@H]2C1 ZINC000299841759 FF Annotated Anodyne COc1cccc(CN2C[C@H]3COC[C@@]3(COCc3ccccn3)C2)c1 ZINC000299841766 FF Annotated Anodyne O=C(c1cccs1)N1CC[C@H](N2CCOCC2)[C@@H]1Cc1ccccc1 ZINC000299841976 FF Annotated Anodyne Cc1ccc(C(=O)N2C[C@H](N(C)Cc3ccco3)[C@@H]3OCCC[C@@H]3C2)o1 ZINC000299841983 FF Annotated Anodyne CN(Cc1cccs1)[C@H]1CCC[C@H]2CN(C(=O)c3cnccn3)C[C@@H]12 ZINC000299842136 FF Annotated Anodyne CN(Cc1cccs1)[C@@H]1CCC[C@H]2CN(C(=O)c3cnccn3)C[C@H]21 ZINC000299842137 FF Annotated Anodyne CO[C@H]1CCN(Cc2cccc(C)n2)[C@H]2CN(Cc3cccnc3)C[C@@H]12 ZINC000299842234 FF Annotated Anodyne Cc1ccccc1C(=O)N1C[C@H]2COC[C@@]2(COCc2cccnc2)C1 ZINC000299842306 FF Annotated Anodyne Cc1occc1C(=O)N1CCC[C@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC000299842340 FF Annotated Anodyne Cc1ccc(CN2C[C@H]3OCCN(CC4CCOCC4)C[C@@H]3C2)s1 ZINC000299842357 FF Annotated Anodyne Cc1cccc(C(=O)N2C[C@H](C)[C@@]3(CCN(c4ccsc4)C3=O)C2)n1 ZINC000299842527 FF Annotated Anodyne O=C(CCc1ccccc1)N1C[C@H]2OCCN(Cc3ccoc3)C[C@@H]2C1 ZINC000299842672 FF Annotated Anodyne Cc1nc(CN2CCO[C@H]3CN(Cc4ccccn4)CC[C@@H]3C2)cs1 ZINC000299842767 FF Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@H]2[C@@H](CCN2Cc2cn(C)c3ccccc23)O1 ZINC000299842812 FF Annotated Anodyne COc1cccc(CN2C[C@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)c1OC ZINC000299842870 FF Annotated Anodyne COc1ccccc1CN1C[C@H]2COC[C@@]2(COCc2ccncc2)C1 ZINC000299843141 FF Annotated Anodyne O=C(O)[C@@]12CCCN(Cc3ccsc3)C[C@@H]1CN(c1ccccn1)C2 ZINC000299843227 FF Annotated Anodyne O=C(Nc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(F)cc2)C1 ZINC000299843269 FF Annotated Anodyne O=C(c1ccsc1)N1CCO[C@H]2CN(Cc3ccccn3)CC[C@@H]2C1 ZINC000299843440 FF Annotated Anodyne Cc1noc(C)c1CN1C[C@H](C)[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC000299843530 FF Annotated Anodyne Cc1cccc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(=O)c2ccsc2)n1 ZINC000299843638 FF Annotated Anodyne O=C(c1ccccc1F)N1C[C@H]2COC[C@@]2(COCc2cccnc2)C1 ZINC000299843705 FF Annotated Anodyne O=C([C@H]1CCO[C@H]2CCN(Cc3cccs3)C[C@H]21)N1CCCCO1 ZINC000299843728 FF Annotated Anodyne COc1cccc(CN2C[C@H]3COC[C@@]3(COCc3ccncc3)C2)c1 ZINC000299843762 FF Annotated Anodyne CCN(CC)CCn1cc2c3[nH]c4ccccc4c3cc(C(=O)OC)[n+]2c1 ZINC000299844693 FF Annotated Bother O=C1N[C@]2(C[C@H]3CC[C@H]2C3)C(=O)N1S(=O)(=O)c1ccc2ccccc2c1 ZINC000299845122 FF Annotated Anodyne O=C1N[C@@]2(C[C@H]3CC[C@H]2C3)C(=O)N1S(=O)(=O)c1ccc2ccccc2c1 ZINC000299845124 FF Annotated Anodyne c1ccc(CC23C[C@@H]4CC(C[C@H](C4)C2)[C@H]3NCCN2CCNCC2)cc1 ZINC000299845773 FF Annotated Anodyne CC[C@H](OC(=O)[C@@H]1CC[C@@H](CN)CC1)OC(=O)[C@@H]1CC[C@@](C)(CN)CC1 ZINC000299846601 FF Annotated Anodyne CC[C@@H](OC(=O)[C@@H]1CC[C@@H](CN)CC1)OC(=O)[C@@H]1CC[C@@](C)(CN)CC1 ZINC000299846603 FF Annotated Anodyne CCOC(=O)[C@@H]1CCc2ncc3c(c2C1)C(=O)C1=C(C3=O)[C@H]2CC[C@H]1C2 ZINC000299846741 FF Annotated Mild CCOC(=O)[C@H]1CCc2ncc3c(c2C1)C(=O)C1=C(C3=O)[C@H]2CC[C@H]1C2 ZINC000299846742 FF Annotated Mild CC[C@H](C)[C@H](N)C(=O)N1CC(=O)c2sc(NC3CCCCC3)nc2C1 ZINC000299849397 FF Annotated Anodyne CC(C)Nc1nc2c(s1)C(=O)CN(C(=O)NCCc1ccccc1)C2 ZINC000299849423 FF Annotated Anodyne O=C(C1CCCC1)N1C[C@@]2(CCN(C3COC3)C2)OCc2ccccc21 ZINC000299849850 FF Annotated Anodyne O=C(C1CCCC1)N1C[C@]2(CCN(C3COC3)C2)OCc2ccccc21 ZINC000299849851 FF Annotated Anodyne NC(=O)C1CCN(c2nccc(-c3c[nH]nc3C3CCCCC3)n2)CC1 ZINC000299850220 FF Annotated Anodyne CC(C)NC(=O)N1CC(=O)c2sc(Nc3ccc(C#N)cc3)nc2C1 ZINC000299850229 FF Annotated Mild Cc1cc2nc(C3CCCCC3)c(-c3ccnc(NCCO)n3)cn2n1 ZINC000299850296 FF Annotated Anodyne CCN(CC)C(=O)CSc1nc2cc(C)nc-2c(O)n1Cc1ccco1 ZINC000299850422 FF Annotated Anodyne Cc1cccc2nc(C(=O)N3CCCC[C@]4(C)NC(=O)CCC[C@H]34)cn12 ZINC000299850436 FF Annotated Anodyne C[C@@]1(c2ncc(CN(CC(=O)O)Cc3ccccc3)cn2)CCCCO1 ZINC000299850456 FF Annotated Anodyne C[C@]1(c2ncc(CN(CC(=O)O)Cc3ccccc3)cn2)CCCCO1 ZINC000299850458 FF Annotated Anodyne CC(C)c1ccc(-n2ncc(C(=O)N(C)C3CCN(C)CC3)c2N)cc1 ZINC000299850637 FF Annotated Anodyne Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)c3cc[nH]n3)C2)n1 ZINC000299850762 FF Annotated Anodyne Cc1noc(C)c1-c1cccc(C[C@H]2CCN(C(=O)c3cc[nH]n3)C2)n1 ZINC000299850763 FF Annotated Anodyne CNc1cc([C@@H]2CCCN2C(=O)c2ccc3oc(=O)n(C)c3c2)ccn1 ZINC000299850838 FF Annotated Anodyne CNc1cc([C@H]2CCCN2C(=O)c2ccc3oc(=O)n(C)c3c2)ccn1 ZINC000299850839 FF Annotated Anodyne Cc1cc2nc(SCC(=O)N3CCCC3)n(Cc3ccco3)c(O)c-2n1 ZINC000299850963 FF Annotated Anodyne Cc1cn2c(Cl)c(C(=O)N3CCN(C4CCCC4)C(=O)C3)nc2s1 ZINC000299851434 FF Annotated Anodyne CS(=O)(=O)c1ccc(-c2nc(C(=O)N3CCCC3)n3ccccc23)cc1 ZINC000299851695 FF Annotated Anodyne N#Cc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12 ZINC000299851700 FF Annotated Mild CO[C@H]1CN(C(=O)Cc2cccs2)CCC(=O)N(C)c2ccccc21 ZINC000299852055 FF Annotated Anodyne CO[C@@H]1CN(C(=O)Cc2cccs2)CCC(=O)N(C)c2ccccc21 ZINC000299852056 FF Annotated Anodyne CCOc1ccc(NC(=O)[C@@H]2OC(c3cccs3)=NN2C(C)=O)cc1 ZINC000299852214 FF Annotated Anodyne CCOc1ccc(NC(=O)[C@H]2OC(c3cccs3)=NN2C(C)=O)cc1 ZINC000299852215 FF Annotated Anodyne CC(C)(C)CC(=O)N1[C@@H](c2ccco2)[C@@H](CO)C[C@]12CCCCNC2=O ZINC000299852351 FF Annotated Anodyne Cc1csc2nc(C(=O)N3CCN(C4CCCC4)C(=O)C3)c(Cl)n12 ZINC000299852428 FF Annotated Anodyne CCC[C@H](O)CN1CCC(=O)N(CC2CC2)Cc2cc3c(cc21)OCO3 ZINC000299852535 FF Annotated Clean CCC[C@@H](O)CN1CCC(=O)N(CC2CC2)Cc2cc3c(cc21)OCO3 ZINC000299852536 FF Annotated Clean Cc1ccc(-n2nc3n(c2=O)CCN(C(=O)c2ccc(Cl)cc2)C3)cc1 ZINC000299852675 FF Annotated Anodyne COc1ccc2c(c1)CN(Cc1ccco1)C(=O)CCN2CC(C)(C)O ZINC000299852681 FF Annotated Clean CCC[C@H](O)CN1CC(C)(C)CN(C(=O)c2ccc(Cl)cc2)CC1=O ZINC000299852801 FF Annotated Anodyne CCC[C@@H](O)CN1CC(C)(C)CN(C(=O)c2ccc(Cl)cc2)CC1=O ZINC000299852802 FF Annotated Anodyne O=C1CCN(Cc2ccc3oc4cccc5c(=O)[nH]nc(c3c2)c45)CCO1 ZINC000299853511 FF Annotated Bother Cn1c(CCCC(=O)O)nc2ccc(N(CCS)CCCl)cc21 ZINC000299854267 FF Annotated Reactive C/C(=N\NC(N)=S)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000299854920 FF Annotated Mild O=c1oc2cc3c(cc2cc1[C@@H](CO)Cc1ccc2c(c1)OCO2)OCO3 ZINC000299855126 FF Annotated Anodyne CCOC(C)(C)[C@@H](O)Cc1c(OC)c(OC)c(OC)c2ccc(=O)oc12 ZINC000299855254 FF Annotated Anodyne O=C1OCCc2c(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cccc21 ZINC000299856546 FF Annotated Mild Cc1cc(CN2C(=O)/C(=C/C(=O)Nc3ccncc3)c3ccccc32)on1 ZINC000299856962 FF Annotated Anodyne COc1ccc(C2=Nc3nc4ccccn4c3C(=O)[C@H](C)N2)cc1OC ZINC000299858898 FF Annotated Anodyne COc1ccc(Sc2nc3c(N)ncn(CCCC#N)c-3n2)c(OC)c1 ZINC000299859522 FF Annotated Mild CC(C)(C)c1[nH]c2ccccc2c1CC(P(=O)(O)O)P(=O)(O)O ZINC000299860703 FF Annotated Anodyne Cc1cc(C#Cc2cn(-c3cccc(S(C)(=O)=O)c3)c(C)n2)ccn1 ZINC000299860811 FF Annotated Mild COC(=O)C[C@@H]1Oc2ccccc2-c2cc(C)c3c(c21)C(=O)C(=O)N3C ZINC000299861432 FF Annotated Anodyne COC(=O)C[C@H]1Oc2ccccc2-c2cc(C)c3c(c21)C(=O)C(=O)N3C ZINC000299861435 FF Annotated Anodyne COc1ccc(C(=O)/C=C/c2ccc(O)cc2)c2c1[C@@H](O)[C@H](C(C)(C)O)O2 ZINC000299861537 FF Annotated Mild COc1ccc(C(=O)/C=C/c2ccc(O)cc2)c2c1[C@@H](O)[C@@H](C(C)(C)O)O2 ZINC000299861538 FF Annotated Mild COc1ccc(C(=O)/C=C/c2ccc(O)cc2)c2c1[C@H](O)[C@H](C(C)(C)O)O2 ZINC000299861539 FF Annotated Mild COc1ccc(C(=O)/C=C/c2ccc(O)cc2)c2c1[C@H](O)[C@@H](C(C)(C)O)O2 ZINC000299861540 FF Annotated Mild Cc1cccc(N2C3=C(C(=O)CCC3)[C@]3(O)C(=O)c4ccccc4[C@]23O)c1 ZINC000299862530 FF Annotated Mild CC(C)CN1C(=O)C(=Cc2ccc(O)c(O)c2)C(=O)N(CC(C)C)C1=O ZINC000299863001 FF Annotated Clean CC(C)(C)[Si](OCc1cn[nH]c(=O)c1)(c1ccccc1)c1ccccc1 ZINC000299863488 FF Annotated Reactive Cc1ccc(N2C3=C(C(=O)CCC3)[C@]3(O)C(=O)c4ccccc4[C@]23O)cc1 ZINC000299863660 FF Annotated Mild CCC[C@@H]1CN(CCCC[C@H]2CNC(=N)N2CC2CCCCC2)C(=N)N1 ZINC000299863903 FF Annotated Anodyne COc1ccc([C@](C)(O)c2nc(N3CCOCC3)nc3ccccc23)cc1 ZINC000299864075 FF Annotated Anodyne COc1ccc([C@@](C)(O)c2nc(N3CCOCC3)nc3ccccc23)cc1 ZINC000299864076 FF Annotated Anodyne CCCSC(=S)N1CCN(C(=S)NC(=O)c2ccccc2)CC1 ZINC000299865136 FF Annotated Anodyne COC(=O)C[C@@H]1Nc2ccccc2-c2cc(C)c3c(c21)C(=O)C(=O)N3C ZINC000299865252 FF Annotated Anodyne COC(=O)C[C@H]1Nc2ccccc2-c2cc(C)c3c(c21)C(=O)C(=O)N3C ZINC000299865253 FF Annotated Anodyne Cc1cc(CN2C(=O)/C(=C/C(=O)Nc3cc(C)no3)c3ccccc32)on1 ZINC000299865461 FF Annotated Anodyne Cc1ccccc1N1C2=C(C(=O)CCC2)[C@]2(O)C(=O)c3ccccc3[C@]12O ZINC000299866201 FF Annotated Mild O=Cc1cn(Cc2cc(-c3ccccc3)cnc2N2CCSCC2)nn1 ZINC000299866334 FF Annotated Anodyne Cc1cn(CCn2cnc(-c3cc(C)no3)c2-c2ccc(C#N)cc2)nn1 ZINC000299866766 FF Annotated Mild COCCn1cc(C)cc(Nc2ncnc3sc(C(=O)O)c(C)c23)c1=O ZINC000299866980 FF Annotated Anodyne Cc1ccc(N2C(=O)C[C@H](Sc3nncn3-c3ccccc3)C2=O)cc1 ZINC000299867219 FF Annotated Anodyne Cc1ccc(N2C(=O)C[C@@H](Sc3nncn3-c3ccccc3)C2=O)cc1 ZINC000299867221 FF Annotated Anodyne Cc1cc(CN2C(=O)/C(=C/C(=O)Nc3cccnc3)c3ccccc32)on1 ZINC000299867286 FF Annotated Anodyne CC(C)(C)[Si](OCc1ccn[nH]c1=O)(c1ccccc1)c1ccccc1 ZINC000299868008 FF Annotated Reactive COc1ccc2c(c1)C(c1cc(OC)c(OC)c(OC)c1)=NCC(=O)N2 ZINC000299868684 FF Annotated Anodyne O=C1OCC2=C1[C@]1(C(=O)Nc3ccccc31)c1c(-c3ccccc3)n[nH]c1N2 ZINC000299869074 FF Annotated Anodyne O=C1OCC2=C1[C@@]1(C(=O)Nc3ccccc31)c1c(-c3ccccc3)n[nH]c1N2 ZINC000299869075 FF Annotated Anodyne C[C@H](C(=O)N[C@@H](CO)c1ccc(OC[C@H]2CCO2)cc1)c1ccccc1 ZINC000299869503 FF Annotated Anodyne C[C@H](C(=O)N[C@@H](CO)c1ccc(OC[C@@H]2CCO2)cc1)c1ccccc1 ZINC000299869504 FF Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(F)nc4)cc3SC[C@@H]12 ZINC000299870695 FF Annotated Anodyne Nc1nn(C(=O)c2ccc([N+](=O)[O-])cc2)c(N)c1/N=N/c1ccc(O)cc1 ZINC000299871098 FF Annotated Clean CCOc1nn(-c2ncc(CC)cn2)c(C)c1I ZINC000299871713 FF Annotated Anodyne CC(C)(C)NC(=O)OC1CCN(CCc2cccc3c2CC(=O)N3)CC1 ZINC000299871895 FF Annotated Anodyne CO[C@@H]1CC[C@@]2(C)[C@@H]3[C@@H](CC[C@@H]2C1)[C@@H]1CC[C@@H](NCCN)[C@]1(C)C[C@H]3O ZINC000299872384 FF Annotated Anodyne CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2[C@@H](O)C[C@]2(C)[C@H](NCCN)CC[C@H]32)C1 ZINC000299872385 FF Annotated Anodyne CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@H](NCCN)[C@@]4(C)C[C@H](O)[C@H]32)C1 ZINC000299872386 FF Annotated Anodyne CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2[C@@H](O)C[C@@]2(C)[C@H](NCCN)CC[C@H]32)C1 ZINC000299872387 FF Annotated Anodyne CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2[C@@H](O)C[C@@]2(C)[C@@H](NCCN)CC[C@H]32)C1 ZINC000299872388 FF Annotated Anodyne CO[C@@H]1CC[C@@]2(C)[C@H]3[C@H](O)C[C@]4(C)[C@@H](CC[C@H]4NCCN)[C@H]3CC[C@@H]2C1 ZINC000299872389 FF Annotated Anodyne CN1c2ccccc2N[C@@H]2ONC(c3ccc(Br)cc3)=N[C@H]21 ZINC000299872746 FF Annotated Anodyne COc1cc(C)ccc1OCc1nc(C(=O)N[C@@H]2CC[C@@H](O)CC2)co1 ZINC000299872941 FF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 ZINC000299874531 FF Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1 ZINC000299874532 FF Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 ZINC000299880144 FF Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 ZINC000299880145 FF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NC[C@H](O)CC ZINC000299880146 FF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000299880147 FF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NC[C@@H](O)CC ZINC000299880148 FF Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1OC ZINC000299880703 FF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1OC ZINC000299880704 FF Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 ZINC000299881903 FF Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 ZINC000299881904 FF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 ZINC000299883980 FF Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 ZINC000299883981 FF Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CCC[C@@H]4CCCC[C@H]43)ccc2nc1O ZINC000299886282 FF Annotated Anodyne CC(=O)N[C@@H]1CCN(c2ncc(C)c(N[C@H](C)c3ccc(F)cc3)n2)C1 ZINC000299887018 FF Annotated Anodyne CC(=O)N[C@@H]1CCN(c2ncc(C)c(N[C@@H](C)c3ccc(F)cc3)n2)C1 ZINC000299887019 FF Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 ZINC000299887521 FF Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000299887522 FF Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 ZINC000299887523 FF Annotated Anodyne Cc1ccc(C)c(NC(=O)CSC2=NN3CCCC(=O)N=C3S2)c1 ZINC000003009765 FF Annotated Anodyne Cc1cc(N2C(=O)c3ccc(C(=O)N4CCCC[C@H]4C)cc3C2=O)no1 ZINC000003014980 FF Annotated Anodyne Cc1cc(N2C(=O)c3ccc(C(=O)N4CCCC[C@@H]4C)cc3C2=O)no1 ZINC000003014982 FF Annotated Anodyne CCCNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1F ZINC000003020756 FF Annotated Anodyne CCCNC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1F ZINC000003020757 FF Annotated Anodyne CCCNC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1F ZINC000003020758 FF Annotated Anodyne O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2)N1CCOCC1 ZINC000003040644 FF Annotated Anodyne CCN(CC)S(=O)(=O)N1CCC(/C(O)=N/C2CCC(C)CC2)CC1 ZINC000003045915 FF Annotated Mild Cc1cccc(N2CCN(C(=O)CN3CCOc4ccccc43)C[C@H]2C)c1 ZINC000003061060 FF Annotated Anodyne Cc1nccc2[nH]c(=O)c(C(=O)NCCCN(C)C3CCCCC3)cc12 ZINC000003061731 FF Annotated Anodyne N#CCCn1cc(/C=N/NC(=O)c2ccncc2)c(-c2ccc(F)cc2)n1 ZINC000003166703 FF Annotated Reactive CC(=O)N(Cc1ccccc1)c1ncc2c(n1)c(=O)c(C#N)c1ccccn12 ZINC000003171647 FF Annotated Mild Cc1ccc(S(=O)(=O)Cc2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000003199857 FF Annotated Bother C=c1[nH]n(-c2ccccc2)c(=O)/c1=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000003212352 FF Annotated Anodyne C=c1[nH]n(-c2ccccc2)c(=O)/c1=C\C=C1\N(C)c2ccccc2C1(C)C ZINC000003212353 FF Annotated Anodyne COc1ccc(C(=O)OCCNC(=O)c2c(Cl)nc3ccccn23)cc1 ZINC000003231140 FF Annotated Anodyne Cn1cnnc1SCc1ccc(C(=O)N/N=C/c2cccs2)cc1 ZINC000003244270 FF Annotated Reactive C[C@H]1CCC[C@@H](NC(=O)COC(=O)c2cc3ccccc3oc2=O)[C@@H]1C ZINC000003254699 FF Annotated Anodyne CCCCn1c(=O)[nH]c(=O)c2c(C(=O)OCC)cc(-c3cccs3)nc21 ZINC000003264911 FF Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCCSc1nnc2ccccn12 ZINC000003267361 FF Annotated Anodyne CCOC(=O)/C=C/C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000003294563 FF Annotated Anodyne Cc1ccc(NC(=O)C[n+]2ccn(C3=C(O)c4ccccc4C3=O)c2)cc1 ZINC000003320351 FF Annotated Mild Cc1ccccc1-n1nc(C)c2c(C(=O)NN)cc(-c3ccncc3)nc21 ZINC000003345132 FF Annotated Reactive O=C(COC(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000003378570 FF Annotated Anodyne CN(C)CCCN/C=C1/C(=O)N(Cc2ccccc2)C(=O)c2ccccc21 ZINC000003406370 FF Annotated Anodyne O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccccc1Cl ZINC000003427890 FF Annotated Anodyne Cn1c(Cc2ccccc2)nnc1SCc1cc(=O)n2ccsc2n1 ZINC000003451095 FF Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000003452918 FF Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000003452921 FF Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000003452923 FF Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000003452926 FF Annotated Anodyne CCCN[C@@H]1COc2ccc(OC)cc2[C@@H]1OC(=O)[C@@H](O)c1ccccc1 ZINC000301054781 FF Annotated Anodyne CCCN[C@@H]1COc2ccc(OC)cc2[C@@H]1OC(=O)[C@H](O)c1ccccc1 ZINC000301054782 FF Annotated Anodyne COC(=O)CCC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F ZINC000301054951 FF Annotated Mild CCC(CC)C1=NO[C@@H]2[C@H](C(=O)OC)C[C@@H](NC(=O)OC(C)(C)C)[C@H]12 ZINC000301055159 FF Annotated Anodyne CCC(CC)C1=NO[C@H]2[C@H]1[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C(=O)OC ZINC000301055160 FF Annotated Anodyne COC(=O)/C=C(\C)CC/C=C(\C)CC[C@H](OP(=O)(O)O)C(C)(C)O ZINC000030731017 FF Annotated Anodyne in-vitro C/C=C/C[C@H](C)C[C@H](C)C(=O)C1=C(O)[C@@H]([C@@H](O)c2ccc(O)cc2)NC1=O ZINC000031164665 FF Annotated Mild CC(=C\C(=O)O)/C=C(\C)C[C@H](C)CCCCC[C@@H](O)[C@@H](CO)C(=O)O ZINC000031166295 FF Annotated Anodyne CC(=C\C(=O)O)/C=C(\C)C[C@H](C)CCCCC[C@H](O)[C@@H](CO)C(=O)O ZINC000031166301 FF Annotated Anodyne N#CC1=C[C@@H]2CN(Cc3ccccc3)[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000031672765 FF Annotated Reactive CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OCCC/N=C(\N)CSS(=O)(=O)O)C2 ZINC000031723396 FF Annotated Reactive CC1(C)[C@H]2CC[C@]1(C)[C@@H](OCCC/N=C(\N)CSS(=O)(=O)O)C2 ZINC000031723398 FF Annotated Reactive COc1cc2c(cc1OC)C(=O)Cc1ccc3c(c1CNCC2)OCO3 ZINC000031841143 FF Annotated Anodyne CC(=O)NC1=C(NCc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O ZINC000031851178 FF Annotated Mild CCOC(=O)C1=CN[C@@H](C(=O)OCC)[C@H]1c1cccn1-c1ccccc1 ZINC000031872102 FF Annotated Anodyne CSC1=N/C(=C\c2ccc(Cl)cc2)C(=O)N1CN1CCOCC1 ZINC000031872367 FF Annotated Anodyne COc1cc([C@H]2c3cc(O)c(OC)cc3[C@H]3OC[C@@H]2[C@H]3CO)ccc1O ZINC000031900934 FF Annotated Anodyne COc1cc([C@@H]2c3cc(O)c(OC)cc3[C@H]3OC[C@@H]2[C@H]3CO)ccc1O ZINC000031900936 FF Annotated Anodyne COc1cc(Br)cc2c1O[C@H]1C(=O)C[C@@H]3C[C@]21CCN3C ZINC000031905115 FF Annotated Anodyne CCOC(=O)/C(=C\NC[C@@H](O)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000031905321 FF Annotated Anodyne CCOC(=O)/C(=C\NC[C@H](O)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000031905322 FF Annotated Anodyne Cc1cc(C)c2c(=O)n(CN3C[C@@H]4Nc5ccccc5[C@@H]4C3)sc2n1 ZINC000031905652 FF Annotated Anodyne CCOC(=O)c1c(C)[nH]c2c1c(CN(C)C)c(O)c1nc(C)c(C)nc12 ZINC000031905908 FF Annotated Clean CC[C@@H]1CSC(/C=C/[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]23)=N1 ZINC000031908323 FF Annotated Anodyne CC[C@@H]1CSC(/C=C/[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@@H]23)=N1 ZINC000031908328 FF Annotated Anodyne O[C@@H]1[C@@H](CCl)O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1O ZINC000032139440 FF Annotated Reactive Cc1ccc(S(=O)(=O)/N=C2\NC(=O)/C(=C\c3ccc(C)o3)S2)cc1 ZINC000032176779 FF Annotated Mild in-vitro COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(=O)C(C)(C)C(=O)C[C@H]1C ZINC000032273366 FF Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(Cc2nnnn2Cc2ccco2)CC1 ZINC000032303928 FF Annotated Anodyne Cc1ccccc1-n1[nH]c(C)c2nc(-c3ccccc3OCC(N)=O)nc1-2 ZINC000032511651 FF Annotated Anodyne O=C(c1ccc([C@@H]2CCCO2)s1)N1CCC(c2cc(=O)[nH]cn2)CC1 ZINC000032537181 FF Annotated Anodyne O=C(c1ccc([C@H]2CCCO2)s1)N1CCC(c2cc(=O)[nH]cn2)CC1 ZINC000032537183 FF Annotated Anodyne COc1ccc2c(CN3CCC[C@@H](c4cc(=O)[nH]cn4)C3)cn(C)c2c1 ZINC000032558342 FF Annotated Anodyne COc1ccc2c(CN3CCC[C@H](c4cc(=O)[nH]cn4)C3)cn(C)c2c1 ZINC000032558343 FF Annotated Anodyne Cc1nc(C2CCN(C(=O)c3ccc4ncsc4c3)CC2)cc(=O)[nH]1 ZINC000032590351 FF Annotated Anodyne Cc1nc(-c2ccc(CC(=O)N3CCN(C(=O)C4CC4)CC3)cc2)cs1 ZINC000032816176 FF Annotated Anodyne Cc1ccc(S(=O)(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000033318302 FF Annotated Mild CC1=CC(=C2C(=O)NC(=O)N=C2O)C=C(C)N1c1ccc(C(=O)O)cc1 ZINC000033340255 FF Annotated Anodyne FC(F)(F)c1ccccc1-c1cncnc1NCCN1CCOCC1 ZINC000033362343 FF Annotated Anodyne CCOC(=O)C(=O)C1=C(N2CCOCC2)/C(=C\c2ccc(F)cc2)CC1 ZINC000033404871 FF Annotated Mild CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(C=C(C#N)C#N)c1 ZINC000033505332 FF Annotated Reactive C[C@H]1CCC[C@H](NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)[C@@H]1C ZINC000033715331 FF Annotated Anodyne C[C@H]1CCC[C@@H](NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)[C@@H]1C ZINC000033715333 FF Annotated Anodyne COc1cc(N)c(-c2nnc(Nc3ccc4c(c3)OCO4)o2)c(OC)c1 ZINC000033747553 FF Annotated Anodyne CC[C@]12CCC[N+]3([O-])CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@H]23 ZINC000033755492 FF Annotated Bother COCON1C(=O)C(Cc2ccccc2)=N/C(=C\c2ccc(F)cc2)C1=O ZINC000033818900 FF Annotated Anodyne CCCNCC(=O)Nc1ccc([C@H]2NC(=O)[C@@H](C)c3ccccc32)cc1 ZINC000033823670 FF Annotated Anodyne CCCNCC(=O)Nc1ccc([C@@H]2NC(=O)[C@@H](C)c3ccccc32)cc1 ZINC000033823671 FF Annotated Anodyne CCCNCC(=O)Nc1ccc([C@H]2NC(=O)[C@H](C)c3ccccc32)cc1 ZINC000033823672 FF Annotated Anodyne CCCNCC(=O)Nc1ccc([C@@H]2NC(=O)[C@H](C)c3ccccc32)cc1 ZINC000033823673 FF Annotated Anodyne O=C1Nc2ccc([N+](=O)[O-])cc2C(c2ccccc2)=N[C@@H]1OCCCl ZINC000033828957 FF Annotated Reactive O=C1Nc2ccc([N+](=O)[O-])cc2C(c2ccccc2)=N[C@H]1OCCCl ZINC000033828959 FF Annotated Reactive CO[C@]1(c2ccccc2)c2cc(Cl)ccc2N(C)C(=O)CN1[N+](=O)[O-] ZINC000033829468 FF Annotated Anodyne CO[C@@]1(c2ccccc2)c2cc(Cl)ccc2N(C)C(=O)CN1[N+](=O)[O-] ZINC000033829469 FF Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C=CC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@]15[C@@H]2C)[C@H]34 ZINC000033829800 FF Annotated Bother in-vitro biogenic C/C=C1/C[N+]2([O-])[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12 ZINC000033830925 FF Annotated Bother in-vitro biogenic CN1Cc2c(ccc3c2OCO3)[C@@]2(C)[C@@H](O)Cc3cc4c(cc3[C@H]12)OCO4 ZINC000033830928 FF Annotated Anodyne in-vitro biogenic CC[C@@H](C)C(=O)O[C@H](/C=C/C=C/C#CC#C/C=C/CO)CCOC(C)=O ZINC000033832557 FF Annotated Mild in-vitro biogenic CC[C@@H](C)C(=O)O[C@@H](/C=C/C=C/C#CC#C/C=C/CO)CCOC(C)=O ZINC000033832559 FF Annotated Mild in-vitro biogenic CC[C@@H](C)C(=O)O[C@H](/C=C/C=C\C#CC#C/C=C/CO)CCOC(C)=O ZINC000033832561 FF Annotated Mild CC[C@H](C)C(=O)O[C@H](/C=C/C=C\C#CC#C/C=C/CO)CCOC(C)=O ZINC000033832562 FF Annotated Mild in-vitro biogenic CC[C@@H](C)C(=O)O[C@@H](/C=C/C=C\C#CC#C/C=C/CO)CCOC(C)=O ZINC000033832563 FF Annotated Mild CC[C@H](C)C(=O)O[C@@H](/C=C/C=C\C#CC#C/C=C/CO)CCOC(C)=O ZINC000033832564 FF Annotated Mild in-vitro biogenic CC(=O)O[C@H]1C/C=C(\C)C[C@@H](OC(C)=O)[C@H]2[C@H](/C=C/1C)OC(=O)[C@H]2C ZINC000033832812 FF Annotated Anodyne in-man COc1cc2c(cc1O)[C@@H]1O[C@@H](OC)c3c(ccc4c3OCO4)[C@H]1NCC2 ZINC000033833246 FF Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H]1O[C@H](OC)c3c(ccc4c3OCO4)[C@H]1NCC2 ZINC000033833248 FF Annotated Anodyne in-vitro biogenic C=CC(C)(C)[C@@]12C[C@H]3C(=O)N[C@H](C(C)C)C(=O)N3[C@@H]1Nc1ccccc12 ZINC000033836374 FF Annotated Mild C[C@H]1C[C@H]2O[C@H]2/C=C\C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 ZINC000033838896 FF Annotated Mild CC1(C)Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)c(O)c2C[C@@H]1O ZINC000033848447 FF Annotated Anodyne C[C@@H]1C(=O)CCCCCCCCC[C@@H]2[C@]1(N1CCOCC1)CS2(=O)=O ZINC000033864456 FF Annotated Anodyne C[C@@H]1C(=O)CCCCCCCCC[C@H]2[C@]1(N1CCOCC1)CS2(=O)=O ZINC000033864458 FF Annotated Anodyne COc1ccc(-c2nnc3c4ccccc4c(N(C)C[C@H](C)O)nn23)cc1 ZINC000033891493 FF Annotated Anodyne COc1ccc(-c2nnc3c4ccccc4c(N(C)C[C@@H](C)O)nn23)cc1 ZINC000033891495 FF Annotated Anodyne CCOC1=C/C(=C2\C(C#N)=C(N)NC3=C2CCc2ccccc23)C=CC1=O ZINC000033910586 FF Annotated Reactive C/C=C1/C[N+]2(C)[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12 ZINC000033913504 FF Annotated Bother C/C=C1/CN2[C@H]3C[C@@H]1[C@@](C=O)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12 ZINC000033913762 FF Annotated Mild in-vitro CCN(CC)CCSc1nc(-c2cnc3nc(C)ccc3c2O)n[nH]1 ZINC000033917376 FF Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/C)C3=CC(=O)[C@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12)O3 ZINC000033937672 FF Annotated Mild CN1CCC(C2=C(C#N)[C@@H](c3cccc4nonc34)c3c[nH]nc3N2)CC1 ZINC000033983148 FF Annotated Reactive CCc1c(C)c2c(c(O)c1C/C=C(\C)COCP(=O)(O)O)C(=O)OC2 ZINC000033983583 FF Annotated Anodyne C[C@H]1[C@H](C)C[C@@H]2C(=O)C=C3OCO[C@]34Oc3cc5c(cc3[C@H]1[C@H]24)OCO5 ZINC000034095164 FF Annotated Mild COC(=O)C[C@H](C)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@H](O)[C@]2(C)O ZINC000034096300 FF Annotated Anodyne COC1=C/C(=C/C=C2\C=Cc3ccc(C(=O)O)c(O)c3N2)C=C(O)C1=O ZINC000034112444 FF Annotated Mild investigational CC(=O)N1C[C@@H](C)Sc2cc(S(=O)(=O)NCc3ccco3)ccc21 ZINC000034145535 FF Annotated Anodyne CC(=O)N1C[C@H](C)Sc2cc(S(=O)(=O)NCc3ccco3)ccc21 ZINC000034145536 FF Annotated Anodyne CC(=O)N1C[C@@H](C)Sc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000034145538 FF Annotated Anodyne CC(=O)N1C[C@H](C)Sc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000034145539 FF Annotated Anodyne C[C@H]1CC[C@H]2C(=O)O[C@@H](CO)CN2[C@@H]1c1ccc(Br)cc1 ZINC000034148405 FF Annotated Anodyne CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C/[C@@H]1C ZINC000034148669 FF Annotated Anodyne CO[C@H]1COC(=O)[C@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C/[C@@H]1C ZINC000034148914 FF Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(CO)O[C@H](C3=CC(=O)O[C@H]3O)C[C@H]21 ZINC000034172518 FF Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(CO)O[C@H](C3=CC(=O)O[C@H]3O)C[C@H]21 ZINC000034172520 FF Annotated Anodyne C[C@@H]1CC(=O)[C@]2(C)[C@]3(C)O[C@@H]3CC[C@]2(O)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000034172578 FF Annotated Anodyne COC(=O)c1cccc(-c2ccc3c(n2)C(=O)C(Br)=CC3=O)n1 ZINC000034175823 FF Annotated Mild COC/C=C/c1cc(O)c2c(c1)[C@@H](CO)[C@H](c1ccc(O)c(OC)c1)O2 ZINC000034190593 FF Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CCC[C@@]2(C)CO[C@@H](OC)[C@H]21)COC3=O ZINC000034190763 FF Annotated Mild in-vitro biogenic COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(O)c(OC)c4)O[C@@H](O)[C@H]23)ccc1O ZINC000034203253 FF Annotated Anodyne CCOC1=C/C(=C2/C=C(c3ccc(OC)cc3)NC(N)=C2C#N)C=CC1=O ZINC000034222178 FF Annotated Reactive CCOC1=C/C(=C/NN2CCN(Cc3ccc(C)cc3)CC2)C=CC1=O ZINC000034235236 FF Annotated Mild C[C@@H]1NC(c2cnsn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 ZINC000034281696 FF Annotated Anodyne Cn1c(N2CCO[C@H](c3ccc(F)cc3)C2)nc(-c2ccncc2)cc1=O ZINC000034282360 FF Annotated Anodyne Cn1c(N2CCO[C@@H](c3ccc(F)cc3)C2)nc(-c2ccncc2)cc1=O ZINC000034282361 FF Annotated Anodyne CC(C)c1cc(C(=O)O)c2c(c1O)O[C@]1(O)C(C)(C)C[C@H](O)C[C@]21C ZINC000034285809 FF Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@]1(O)C=C(C(C)(C)O)C(=O)C[C@H]21 ZINC000034409742 FF Annotated Mild in-vitro biogenic CCCN1C(=O)N2C[C@@H](CC)N=C2c2[nH]c(C34CCC(O)(CC3)CC4)nc21 ZINC000034409969 FF Annotated Anodyne CCC(CC)C1=NO[C@@H]2[C@H](C(=O)OC)C[C@H](NC(=O)OC(C)(C)C)[C@H]12 ZINC000034434465 FF Annotated Anodyne CO[C@@H]1OC[C@]2(C)CCC[C@]3(COC(=O)[C@@]45C[C@@H](CC[C@H]43)[C@@H](C)C5=O)[C@H]12 ZINC000034435061 FF Annotated Anodyne CO[C@H]1OC[C@]2(C)CCC[C@]3(COC(=O)[C@@]45C[C@@H](CC[C@H]43)[C@H](C)C5=O)[C@H]12 ZINC000034435064 FF Annotated Anodyne in-vitro biogenic N=C(N)c1ccc(-c2cn3c(n2)CC[C@H](c2ccc(C(=N)N)cc2)C3)cc1 ZINC000034462048 FF Annotated Anodyne C[C@@H]1CC[C@@]2(O)[C@H](CC[C@H](O)C2(C)C)[C@@]1(C)CCC1=CC(=O)O[C@@H]1O ZINC000034470622 FF Annotated Anodyne COc1ccc2c(OC[C@H](O)CO)nc(C#N)c(-c3ccccc3)c2c1 ZINC000034504574 FF Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)[C@@]3(O)CC[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12)O3 ZINC000034505605 FF Annotated Mild biogenic COc1ccc(Cc2n[nH]c(-c3ncc4cccnc4c3O)n2)cc1OC ZINC000034505703 FF Annotated Anodyne C[C@@H]1C[C@H](O)[C@@]2(CO)[C@@H](C=O)CCC[C@@H]2[C@@]1(C)C[C@H](O)c1ccoc1 ZINC000034513244 FF Annotated Mild COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC(=O)[C@H]1[C@@](C)(O)CCC[C@@]12C ZINC000034513246 FF Annotated Mild Cc1c(/N=C2\O[C@@H](C(F)(F)F)[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl ZINC000034554150 FF Annotated Mild COc1cc(C2=NCCN2)cc2cc(-c3ccc(C4=NCCN4)cc3)oc12 ZINC000034554168 FF Annotated Anodyne CO[C@H]1O[C@@H]2c3cc4c(cc3CCN[C@@H]2c2ccc3c(c21)OCO3)OCO4 ZINC000034582186 FF Annotated Anodyne in-vitro biogenic CC(=O)N1c2c(O)cccc2[C@@]23CCN4CCC[C@]5(CCO[C@@]452)CC[C@@H]13 ZINC000034582436 FF Annotated Anodyne Nn1c(S[C@H](C(=O)O)c2ccccc2)nc2c([nH]c3ccccc32)c1=O ZINC000034648318 FF Annotated Anodyne Nn1c(S[C@@H](C(=O)O)c2ccccc2)nc2c([nH]c3ccccc32)c1=O ZINC000034648319 FF Annotated Anodyne CC1=C(CC/C(C)=C/C(=O)O)[C@@]2(C)CC[C@@H](O)[C@](C)(CO)[C@@H]2[C@H](O)C1 ZINC000034649757 FF Annotated Anodyne Oc1cc(O)c(-c2[nH]ncc2N2CCNCC2)cc1CCc1ccccc1 ZINC000034717858 FF Annotated Anodyne COC(=O)C1=C[C@@]23C[C@H](C)CC[C@H]2[C@@]2(C)[C@@H]1C(=O)[C@H](C(C)C)C[C@@]2(O)O3 ZINC000034750607 FF Annotated Anodyne COC(=O)C1=C(N2CCC[C@H]2C)[C@H]2c3ccccc3S[C@@]12C(=O)OC ZINC000034819609 FF Annotated Anodyne COC(=O)C1=C(N2CCC[C@H]2C)[C@@H]2c3ccccc3S[C@]12C(=O)OC ZINC000034819611 FF Annotated Anodyne COC(=O)C1=C(N2CCC[C@@H]2C)[C@H]2c3ccccc3S[C@@]12C(=O)OC ZINC000034819613 FF Annotated Anodyne COC(=O)C1=C(N2CCC[C@@H]2C)[C@@H]2c3ccccc3S[C@]12C(=O)OC ZINC000034819615 FF Annotated Anodyne COC(=O)C1=C(N2CCCCC2)[C@H]2c3ccccc3S[C@@]12C(=O)OC ZINC000034819621 FF Annotated Anodyne COC(=O)C1=C(N2CCCCC2)[C@@H]2c3ccccc3S[C@]12C(=O)OC ZINC000034819623 FF Annotated Anodyne CCCC[C@@]12C[C@]1(C(=O)NCCC(=O)O)C(=O)Nc1ccc(Cl)cc12 ZINC000034821564 FF Annotated Anodyne CCCC[C@]12C[C@@]1(C(=O)NCCC(=O)O)C(=O)Nc1ccc(Cl)cc12 ZINC000034821566 FF Annotated Anodyne O=C(Nc1ccccn1)N1CCN(c2nc(-c3ccccc3)ns2)CC1 ZINC000034837776 FF Annotated Anodyne Cc1cccc(Cc2c(C)nc3c(C(=O)N(C)CCC#N)cnn3c2O)c1 ZINC000034855317 FF Annotated Mild C[C@@H](C(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21)N1CCCCC1 ZINC000034858564 FF Annotated Anodyne C[C@H](C(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21)N1CCCCC1 ZINC000034858565 FF Annotated Anodyne Nc1ncc2c(n1)C[C@@H]1CCC[C@H]2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000034891513 FF Annotated Anodyne Cn1ncc2c1C[C@@H]1CCC[C@H]2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000034891514 FF Annotated Anodyne Cn1ncc2c1C[C@H]1CCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000034891515 FF Annotated Anodyne O=C1c2[nH]ncc2[C@@H]2CCC[C@H]1N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000034891643 FF Annotated Anodyne COc1cc(Nc2ccc([N+](=O)[O-])c3nc[nH]c(=O)c23)cc(OC)c1OC ZINC000034947207 FF Annotated Bother C[C@@H](O)CCCCOc1nn(CCCC[C@@H](C)O)c(=O)c2ccccc12 ZINC000034965620 FF Annotated Anodyne CN(C)CCNC(=O)c1ccc(Nc2ncc(Br)s2)cc1 ZINC000034987401 FF Annotated Anodyne O=C(Nc1ccccc1)Nc1ccsc1-c1nc(C(=O)O)c(O)c(=O)[nH]1 ZINC000003583165 FF Annotated Anodyne CC(C)OC(=O)c1cccnc1SCc1cc(=O)n2ccccc2n1 ZINC000003587825 FF Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@@H]1CCC(=O)N1[C@H]2c1ccccc1 ZINC000003589011 FF Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@@H]1CCC(=O)N1[C@@H]2c1ccccc1 ZINC000003589012 FF Annotated Anodyne Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCCCc1cc(CO)no1 ZINC000003590182 FF Annotated Anodyne CCOc1cc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1 ZINC000003590186 FF Annotated Anodyne CC[C@H](O)c1cc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1 ZINC000003590201 FF Annotated Anodyne CC[C@@H](O)c1cc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1 ZINC000003590204 FF Annotated Anodyne Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCc1cc([C@@H](C)O)no1 ZINC000003590206 FF Annotated Anodyne Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCc1cc([C@H](C)O)no1 ZINC000003590208 FF Annotated Anodyne CC(=O)c1cc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1 ZINC000003590210 FF Annotated Anodyne COc1c(O)ccc2c1-c1c3c(c(OC)c4ccnc(c14)C2=O)OCO3 ZINC000003594913 FF Annotated Anodyne in-vitro biogenic Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3c(F)cc(F)cc23)c1 ZINC000003606707 FF Annotated Anodyne Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3cc(F)c(F)cc23)c1 ZINC000003606709 FF Annotated Anodyne CCN(CC)CCCCN1C(=O)C[C@]2(CCCc3ccc(O)cc32)C1=O ZINC000003631739 FF Annotated Anodyne CCN(CC)CCCCN1C(=O)C[C@@]2(CCCc3ccc(O)cc32)C1=O ZINC000003631741 FF Annotated Anodyne CCN[C@H]1CCN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C1 ZINC000003637757 FF Annotated Anodyne CC[C@H](C)[C@@H](C(=O)OC)N1C(=O)CS[C@@H]1c1ccc(N(C)C)cc1 ZINC000003639514 FF Annotated Clean CC[C@H](C)[C@H](C(=O)OC)N1C(=O)CS[C@@H]1c1ccc(N(C)C)cc1 ZINC000003639515 FF Annotated Clean CC[C@H](C)[C@@H](C(=O)OC)N1C(=O)CS[C@H]1c1ccc(N(C)C)cc1 ZINC000003639517 FF Annotated Clean CC[C@H](C)[C@H](C(=O)OC)N1C(=O)CS[C@H]1c1ccc(N(C)C)cc1 ZINC000003639519 FF Annotated Clean COC(=O)[C@H](CCSC)N1C(=O)CS[C@H]1c1ccc(N(C)C)cc1 ZINC000003639520 FF Annotated Clean COC(=O)[C@H](CCSC)N1C(=O)CS[C@@H]1c1ccc(N(C)C)cc1 ZINC000003639521 FF Annotated Clean COC(=O)[C@@H](CCSC)N1C(=O)CS[C@H]1c1ccc(N(C)C)cc1 ZINC000003639522 FF Annotated Clean COC(=O)[C@@H](CCSC)N1C(=O)CS[C@@H]1c1ccc(N(C)C)cc1 ZINC000003639523 FF Annotated Clean CCOC(=O)[C@@H](C(C)C)N1C(=O)[C@H](C)S[C@H]1c1cccc(OC)c1O ZINC000003639532 FF Annotated Clean COc1ccc(NC(=O)[C@H]2C(=O)N[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 ZINC000003640397 FF Annotated Anodyne COc1c(OC)c2c3c(nccc3c1OC)-c1c-2ccc(O)c(=O)c1OC ZINC000003644363 FF Annotated Anodyne in-vitro biogenic CCCCNC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000003645687 FF Annotated Anodyne CCN(CC)CCC[C@@H](C)Nc1nc(-c2cccnc2)c(C#N)c(=O)[nH]1 ZINC000003649608 FF Annotated Mild CCN(CC)CCC[C@H](C)Nc1nc(-c2cccnc2)c(C#N)c(=O)[nH]1 ZINC000003649609 FF Annotated Mild O=C(CCCN1C(=O)c2cccnc2C1=O)Nc1cccc2c1CCCC2 ZINC000003660504 FF Annotated Anodyne C=CCN(C(=O)CCS(=O)(=O)c1cccc2nonc12)c1ccccc1 ZINC000003665099 FF Annotated Mild Cc1cccc(NC(=O)CCS(=O)(=O)c2cccc3nonc23)c1C ZINC000003665110 FF Annotated Anodyne CCc1ccccc1NC(=O)CCS(=O)(=O)c1cccc2nonc12 ZINC000003665112 FF Annotated Anodyne CCc1cccc(C)c1NC(=O)CCS(=O)(=O)c1cccc2nonc12 ZINC000003665132 FF Annotated Anodyne O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3)c(NCCCO)n2)cc1 ZINC000003767052 FF Annotated Bother CC1(C)CN=C2N(C1)c1ccccc1[C@@]2(NS(C)(=O)=O)c1ccccc1 ZINC000003778749 FF Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4oc5ccccc5c4c3)C[C@H]12 ZINC000003786210 FF Annotated Anodyne C[C@@H]1SC(=O)NN=C1c1ccc2c(c1)C1(SCCS1)C(=O)N2 ZINC000003787507 FF Annotated Anodyne CCN(CC)CC(=O)N1c2ccccc2N(C)S(=O)(=O)c2ccccc21 ZINC000003803503 FF Annotated Anodyne NS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccnc2)cc1 ZINC000003814621 FF Annotated Anodyne Cc1cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)no1 ZINC000003814636 FF Annotated Anodyne CC(C)=CCOc1ccc(C2=N[C@H](C(=O)NO)CO2)cc1OC(F)(F)F ZINC000003817934 FF Annotated Anodyne Cn1ncn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O ZINC000003820389 FF Annotated Mild CN(O)C(=O)CCCCc1ccc2c(c1O)C(=O)c1c(O)cccc1C2 ZINC000003821344 FF Annotated Anodyne C[C@@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C#N)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000003823961 FF Annotated Mild Cc1cccnc1-n1c([S@](=O)Cc2ccccc2N)nc2c1CCC2 ZINC000003824082 FF Annotated Anodyne Fc1ccc(OC[C@@H]2CC[C@H]3CN(c4ncc(F)cn4)CCN3C2)cc1 ZINC000003825236 FF Annotated Anodyne in-vivo O[C@@H]1[C@@H](CF)O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1O ZINC000003827192 FF Annotated Anodyne O=C(O)c1ccc(NS(=O)(=O)c2ccsc2C(=O)O)cc1Cl ZINC000003881293 FF Annotated Anodyne in-vitro CCc1ccc2nc(N3CCC(C(=O)NCCN(C)C)CC3)sc2c1 ZINC000003894459 FF Annotated Anodyne COc1cc2c(cc1O)CCN(C(=O)[C@@H]1COc3ccccc3O1)[C@H]2C ZINC000003894637 FF Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2COc3ccccc3O2)cc1OCC ZINC000003894640 FF Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2COc3ccccc3O2)cc1OCC ZINC000003894641 FF Annotated Anodyne O=C(CCS(=O)(=O)c1cccs1)NCCc1ccccc1Cl ZINC000003894739 FF Annotated Anodyne Cc1ccc(NC(=O)CCCNS(=O)(=O)c2cccs2)cc1F ZINC000003894763 FF Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1cccs1 ZINC000003895563 FF Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1c1cccs1 ZINC000003895564 FF Annotated Anodyne CC1CCN(CCC(=O)N2CCCc3c2c(=O)oc2ccc(O)cc32)CC1 ZINC000003903664 FF Annotated Anodyne COc1ccc(NC(=O)[C@@H]2C(=O)N[C@]3(C)C[C@H]2c2ccccc2O3)cc1 ZINC000003905914 FF Annotated Anodyne COc1ccc(NC(=O)[C@@H]2C(=O)N[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 ZINC000003905916 FF Annotated Anodyne COC(=O)CNc1c(-c2ccccn2)nc2ccc(Br)cn12 ZINC000003906271 FF Annotated Clean CCOc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1 ZINC000003906381 FF Annotated Anodyne C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1 ZINC000003906387 FF Annotated Anodyne C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc2[nH]c(=O)sc2c1 ZINC000003906388 FF Annotated Anodyne C[C@@H]1CCCN(C(=O)CC/N=C(\O)Cn2ccc3ccccc3c2=O)C1 ZINC000003906647 FF Annotated Mild C[C@H]1CCCN(C(=O)CC/N=C(\O)Cn2ccc3ccccc3c2=O)C1 ZINC000003906648 FF Annotated Mild O=C(Cc1c(C(=O)O)[nH]c2ccccc12)Nc1ccc2c(c1)OCCO2 ZINC000003906685 FF Annotated Anodyne CC1(C)c2ccc([N+](=O)[O-])cc2[C@@H](N/C(=N/C#N)Nc2ccccc2)[C@@H]1O ZINC000003915508 FF Annotated Mild CC1(C)Nc2ccc(C#N)cc2[C@@H](/N=C(\NC#N)Nc2ccccc2)[C@@H]1O ZINC000003915511 FF Annotated Mild CC(=S)NC[C@H]1CN(c2ccc(-c3nncs3)c(F)c2)C(=O)O1 ZINC000003916678 FF Annotated Anodyne CO/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/OC)cn3)o2)cc1 ZINC000003926349 FF Annotated Mild CONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)nc3)o2)cc1 ZINC000003926350 FF Annotated Anodyne NCCn1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cccnc21 ZINC000003927100 FF Annotated Anodyne CCCCN/C(N)=N/c1nc(-c2ccc(CNC(C)=O)s2)cs1 ZINC000003930990 FF Annotated Mild COCC[C@@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@@H]13 ZINC000003951608 FF Annotated Anodyne CCOC(=O)CCc1nc2nc(N3C[C@H](CC)CC[C@@H]3C)ccc2[nH]c1=O ZINC000003955110 FF Annotated Anodyne CCOC(=O)CCc1nc2nc(N3C[C@@H](CC)CC[C@@H]3C)ccc2[nH]c1=O ZINC000003955111 FF Annotated Anodyne CCOC(=O)CCc1nc2nc(N3C[C@@H](CC)CC[C@H]3C)ccc2[nH]c1=O ZINC000003955113 FF Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(/C=C/c3cccnc3)c(F)c2)C(=O)O1 ZINC000003955681 FF Annotated Anodyne Cn1cccc1C(=O)N1CCC2(CCN(Cc3ccncc3)CC2)CC1 ZINC000003955886 FF Annotated Anodyne O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(c3ccncc3)C2)C1 ZINC000003955904 FF Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC2(CCN(C(=O)NC(C)C)CC2)CC1 ZINC000003956120 FF Annotated Anodyne O=S(=O)(c1ccccc1)N1CCC2(CC1)CN(Cc1ccccc1)C2 ZINC000003956142 FF Annotated Anodyne COc1ccc(C(=O)N2CCC[C@@]3(CCN(c4ncccn4)C3)C2)cc1 ZINC000003956232 FF Annotated Anodyne C=CCOC(=O)CCP(=O)(CCC(=O)OCC=C)c1ccccc1 ZINC000003956860 FF Annotated Mild O=C(c1ccccc1)c1c(C(F)(F)F)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-] ZINC000003961901 FF Annotated Anodyne C/C(S)=N/C[C@H]1CC(c2cc(F)c(N3CCOCC3)c(F)c2)=NO1 ZINC000003963828 FF Annotated Mild CCOC(=O)c1c(NC(=O)N(CC)CC)sc2c1CCN(C(C)=O)C2 ZINC000003964029 FF Annotated Anodyne CC(=O)N1CCc2c(sc(NC(=O)C(C)C)c2C(=O)OC(C)C)C1 ZINC000003964032 FF Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C(N)=O)=C2 ZINC000003964626 FF Annotated Anodyne CN1CC[C@@H](c2cn(S(=O)(=O)c3ccc(N)cc3)c3ccccc23)C1 ZINC000003976206 FF Annotated Anodyne NCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 ZINC000003981398 FF Annotated Anodyne O=C1O[C@@H](COc2cnccn2)CN1c1ccc(C2=CCOCC2)c(F)c1 ZINC000003982533 FF Annotated Anodyne Cc1cn(C[C@H]2CN(c3ccc(-c4cc(C)no4)c(F)c3)C(=O)O2)nn1 ZINC000003986856 FF Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2[C@H]2CCC(=O)O2)cc1 ZINC000003994217 FF Annotated Anodyne COC(=O)c1c(O)c2ncsc2n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000035010303 FF Annotated Anodyne CC(C)n1c(=O)c(C(=O)NCc2ccc(F)cc2)c(O)c2ncsc21 ZINC000035010319 FF Annotated Anodyne COc1cc(C(=O)O)c2c(c1C)OC(=O)c1c(C)cc(O)c(CO)c1O2 ZINC000035017848 FF Annotated Anodyne C=C(CO)[C@H]1C=C2[C@@H](OC)C[C@H]3[C@@](C)(CC[C@@H](O)[C@]3(C)CO)[C@@H]2CC1 ZINC000035028865 FF Annotated Mild C=C(CO)[C@@H]1CC[C@@H]2C(=CC[C@H]3[C@@]2(C)CC[C@@H](O)[C@]3(C)CO)[C@@H]1OC ZINC000035028867 FF Annotated Mild C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2C[C@@H](OC(=O)[C@H]2C)[C@@](C)(O)CC[C@H]1O ZINC000035034210 FF Annotated Mild COc1cc(/C=C/C(=O)CC(C)=O)cc(I)c1O ZINC000035050567 FF Annotated Mild C[C@@H]1[C@H]2CC3=C(/C=C\[C@H]4O[C@@H]4[C@@]14C[C@H](c1ccoc1)O[C@H]4O2)C(=O)OC3 ZINC000035051335 FF Annotated Anodyne O=C(N/N=C\c1ccc(Cl)cc1)c1nc(O)c2cc([N+](=O)[O-])ccc2n1 ZINC000035132404 FF Annotated Reactive COc1cc(-c2nncn2-c2ccc3c(c2)CCN3C)cc(OC)c1OC ZINC000035259117 FF Annotated Anodyne Cc1cc(-c2ccc(F)cc2F)ccc1S(=O)(=O)NCCCCO ZINC000035303874 FF Annotated Anodyne COc1ccc(COc2cc([N+](=O)[O-])ccc2N(C)S(C)(=O)=O)cc1 ZINC000035324669 FF Annotated Bother COC(=O)c1cc(OC)cc(O)c1Oc1cc(C)cc(O)c1C(=O)OC ZINC000035457433 FF Annotated Anodyne C/C=C1/CN2[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3n(C)c2ccccc12 ZINC000035459286 FF Annotated Anodyne CC(=O)O[C@H]1C/C=C(\C)[C@@H](OC(C)=O)C[C@@H]2[C@@H](/C=C/1C)OC(=O)[C@@H]2C ZINC000035464869 FF Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@@H]3OC(=O)[C@@H]1[C@]23C ZINC000035982808 FF Annotated Anodyne CCCC[C@H](O)/C=C/C(=O)O[C@H]1[C@H](C)O[C@]2(C)C=C(C)C(=O)O[C@H]2[C@@H]1C ZINC000035996443 FF Annotated Anodyne COc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O ZINC000036011792 FF Annotated Anodyne O[C@](Cc1ccccc1Br)(c1ccccc1)[C@@H]1CNCCO1 ZINC000036093136 FF Annotated Anodyne CC(C)S(=O)(=O)c1c(O)n(Cc2ccccc2)c(=O)c2ccccc12 ZINC000036126896 FF Annotated Anodyne COC(=O)C1=C(N2CCCCC2)[C@H]2c3ccccc3S[C@]12C(=O)OC ZINC000036152495 FF Annotated Anodyne COC(=O)C1=C(N2CCCCC2)[C@@H]2c3ccccc3S[C@@]12C(=O)OC ZINC000036152499 FF Annotated Anodyne CC(=O)OCC[S@@](=O)C[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000036271559 FF Annotated Anodyne CC(=O)OCC[S@](=O)C[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000036271562 FF Annotated Anodyne CCCN1C(=O)N2C[C@@H](C)N=C2c2[nH]c(C34CCC(O)(CC3)CC4)nc21 ZINC000036273986 FF Annotated Anodyne CC1(C)CC(=O)C=C(NC2=C[C@H]3O[C@@H](c4ccccc4)OC[C@@H]3OC2=O)C1 ZINC000036274699 FF Annotated Mild COc1c(C)c2c(c(O)c1C/C=C(C)/C=C/P(=O)(O)O)C(=O)OC2 ZINC000036338569 FF Annotated Anodyne CNC(=O)Nc1snc(SCc2ccc(Cl)cc2)c1C(N)=O ZINC000036348935 FF Annotated Anodyne C[C@H]1C[C@H](O)[C@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000036374678 FF Annotated Anodyne C[C@H]1C[C@@H](O)[C@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000036374681 FF Annotated Anodyne COc1cccc2c1[C@@H](c1ccc3c(c1O)C(=O)C[C@@H](C)[C@H]3O)OC2=O ZINC000036374946 FF Annotated Anodyne COc1cccc2c1[C@@H](c1ccc3c(c1O)C(=O)C[C@H](C)[C@H]3O)OC2=O ZINC000036374949 FF Annotated Anodyne COc1cccc2c1[C@H](c1ccc3c(c1O)C(=O)C[C@@H](C)[C@H]3O)OC2=O ZINC000036374952 FF Annotated Anodyne COc1cccc2c1[C@H](c1ccc3c(c1O)C(=O)C[C@H](C)[C@H]3O)OC2=O ZINC000036374954 FF Annotated Anodyne CN1[C@H](C(=O)NCCc2cccs2)C[C@H]2Cn3c(nc4ccccc43)[C@@H]21 ZINC000036378226 FF Annotated Anodyne CN1[C@@H](C(=O)NCCc2cccs2)C[C@H]2Cn3c(nc4ccccc43)[C@@H]21 ZINC000036378227 FF Annotated Anodyne Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@H](C(=O)NCc2ccco2)N(C)[C@H]31 ZINC000036378289 FF Annotated Anodyne Cc1cc2nc3n(c2cc1C)C[C@@H]1C[C@H](C(=O)NCc2ccco2)N(C)[C@@H]31 ZINC000036378290 FF Annotated Anodyne Cc1ccc(CNC(=O)[C@@H]2C[C@H]3Cn4c(nc5ccccc54)[C@@H]3N2C)o1 ZINC000036378293 FF Annotated Anodyne Cc1ccc(CNC(=O)[C@H]2C[C@H]3Cn4c(nc5ccccc54)[C@@H]3N2C)o1 ZINC000036378294 FF Annotated Anodyne CC1(C)[C@H](O)CC[C@]2(C)[C@@H]1CC=C(CO)[C@@]21CC[C@@](C)(CC(=O)O)O1 ZINC000036378676 FF Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]1CC=C(CO)[C@@]21CC[C@@](C)(CC(=O)O)O1 ZINC000036378677 FF Annotated Anodyne CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]1CC=C(CO)[C@@]21CC[C@@](C)(CC(=O)O)O1 ZINC000036378678 FF Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC=C(CO)[C@@]21CC[C@@](C)(CC(=O)O)O1 ZINC000036378679 FF Annotated Anodyne C[C@@H]1C[C@H]2OCC3=CCC[C@H]([C@]1(C[C@H](O)c1ccoc1)C(=O)O)[C@]32CO ZINC000036378735 FF Annotated Anodyne C[C@@H]1C[C@H]2OCC3=CCC[C@H]([C@]1(C[C@@H](O)c1ccoc1)C(=O)O)[C@]32CO ZINC000036378736 FF Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C=CC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@]15[C@H]2C)[C@H]34 ZINC000036378748 FF Annotated Bother CC[C@H]1[C@H]2[C@]34CC[N+]2([O-])CC[C@H]1C(C(=O)OC)=C3Nc1c(OC)cccc14 ZINC000036378816 FF Annotated Bother CC[C@@H]1[C@H]2[C@]34CC[N+]2([O-])CC[C@H]1C(C(=O)OC)=C3Nc1c(OC)cccc14 ZINC000036378817 FF Annotated Bother Cn1nnnc1Sc1ncnc2scc(-c3ccccc3C#N)c12 ZINC000036380184 FF Annotated Mild Cn1nnnc1Sc1ncnc2scc(-c3cccc(C#N)c3)c12 ZINC000036380185 FF Annotated Mild Cn1nnnc1Sc1ncnc2scc(-c3ccc(C#N)cc3)c12 ZINC000036380186 FF Annotated Mild Cn1nnnc1Sc1ncnc2scc(-c3ccccc3[N+](=O)[O-])c12 ZINC000036380187 FF Annotated Bother Cn1nnnc1Sc1ncnc2scc(-c3cccc([N+](=O)[O-])c3)c12 ZINC000036380188 FF Annotated Bother Cn1nnnc1Sc1ncnc2scc(-c3ccc([N+](=O)[O-])cc3)c12 ZINC000036380189 FF Annotated Bother Cn1nnnc1Sc1ncnc2scc(-c3ccc4c(c3)OCO4)c12 ZINC000036380198 FF Annotated Anodyne CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccc(OC)cc2)C1 ZINC000036380437 FF Annotated Anodyne CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccccc2OC)C1 ZINC000036380599 FF Annotated Anodyne CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2cccc(OC)c2)C1 ZINC000036380656 FF Annotated Anodyne NC(=O)C1CCN(c2nc(-c3ccc4occc(=O)c4c3)cs2)CC1 ZINC000036380823 FF Annotated Anodyne CCN1C(N(C)CCOC)=N[C@@H](c2cccc(F)c2)C(C(=O)OC)=C1C ZINC000036381704 FF Annotated Anodyne COc1cc2c(c(OC)c1)[C@H](/C=C/c1ccccc1)[C@@H]([C@H](O)CO)OC2 ZINC000036381859 FF Annotated Anodyne C=C(C#CCCO)CCN1C=C(C(=O)OCC)[C@@H](c2ccccc2)NC1=O ZINC000036382039 FF Annotated Mild C=C1[C@@H](O)[C@H](CC(C)C)N(Cc2ccccc2Br)S1(=O)=O ZINC000036382919 FF Annotated Mild CC(=O)Nc1ccc(SC[C@H](C)CN2CC[C@H](O)CCC2=O)cc1 ZINC000036382937 FF Annotated Anodyne COC(=O)C[C@H]1c2ccccc2S(=O)(=O)N1c1ccc(N(C)C)cc1 ZINC000036382957 FF Annotated Anodyne O=S1(=O)CCO[C@H]2CCCC[C@@H]2N1Cc1ccccc1Br ZINC000036382988 FF Annotated Anodyne O=C1C[C@@H]2c3c(cccc3CN1Cc1ccc(Cl)cc1)C[C@@H](O)[C@H]2O ZINC000036383075 FF Annotated Anodyne COC(=O)C[C@H]1c2cc(C(F)(F)F)ccc2S(=O)(=O)N1C(C)C ZINC000036383144 FF Annotated Anodyne O=[N+]([O-])c1cc(/C=N/N/C(=N\c2ccccn2)c2ccccn2)ccc1O ZINC000036383701 FF Annotated Mild COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)N1CCCC1 ZINC000036384268 FF Annotated Anodyne COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)NCC1CC1 ZINC000036384288 FF Annotated Anodyne COC(=O)C1=C(c2ccc(C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NC1CC1 ZINC000036384361 FF Annotated Anodyne CC(C)CCN1CCN(Cc2nc3c(s2)CCCC3)C[C@H]1CCO ZINC000036385580 FF Annotated Anodyne CC(=O)Nc1ccc(CN2CCN(C3CCCCC3)[C@H](CCO)C2)cc1 ZINC000036385588 FF Annotated Anodyne Cc1cc(-n2cccn2)ccc1CN1CCN(C2CCCC2)[C@H](CCO)C1 ZINC000036385605 FF Annotated Anodyne Cc1cccc(-n2ccnc2CN2CCN(C3CCCC3)[C@H](CCO)C2)c1 ZINC000036385789 FF Annotated Anodyne CC1(C)CC(=O)C=C(NC2=C[C@H]3O[C@@H](c4ccccc4)OC[C@H]3OC2=O)C1 ZINC000036386415 FF Annotated Mild CC1(C)CC(=O)C=C(NC2=C[C@@H]3O[C@@H](c4ccccc4)OC[C@H]3OC2=O)C1 ZINC000036386416 FF Annotated Mild CC1(C)CC(=O)C=C(NC2=C[C@@H]3O[C@@H](c4ccccc4)OC[C@@H]3OC2=O)C1 ZINC000036386417 FF Annotated Mild O=C(O)c1cccc2c1C(=O)c1cc(Br)ccc1S2(=O)=O ZINC000036388408 FF Annotated Anodyne COC(=O)C1=C(c2cccc(C#N)c2)C[C@@H]2CC[C@H]1N2C(=O)NC1CC1 ZINC000036388571 FF Annotated Mild COC(=O)C1=C(c2cccc(C#N)c2)C[C@@H]2CC[C@H]1N2C(=O)NCC1CC1 ZINC000036388573 FF Annotated Mild CCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1cccc(C#N)c1)C2 ZINC000036388575 FF Annotated Mild COC(=O)C1=C(c2cccc(C#N)c2)C[C@@H]2CC[C@H]1N2C(=O)NC(C)C ZINC000036388577 FF Annotated Mild COC(=O)C1=C(c2cccc(C#N)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCC1 ZINC000036388579 FF Annotated Mild COc1cc2cc(CCOC(=O)N3CCCCC3)oc(=O)c2cc1OC ZINC000036388771 FF Annotated Anodyne C=CCOC(=O)N(CC1=C(N2CCCC2)COC1=O)Cc1ccccc1 ZINC000036388868 FF Annotated Mild O=C(OCCc1cn(-c2cc3ccccc3oc2=O)nn1)c1cccs1 ZINC000036388933 FF Annotated Anodyne Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)NCC(=O)N12 ZINC000036388983 FF Annotated Anodyne C[C@H]1NC(=O)[C@@]2(C)[C@@H](c3ccccc3)[C@H]3COc4ccccc4[C@@H]3N2C1=O ZINC000036388985 FF Annotated Anodyne C[C@@H]1NC(=O)[C@@]2(C)[C@@H](c3ccccc3)[C@H]3COc4ccccc4[C@@H]3N2C1=O ZINC000036388988 FF Annotated Anodyne C[C@H]1NC(=O)[C@@]2(C)[C@@H](c3ccccc3)[C@H]3COc4ccccc4[C@H]3N2C1=O ZINC000036388998 FF Annotated Anodyne COc1cc(CCCN[C@H](CN)Cc2ccccc2)cc(OC)c1OC ZINC000036389275 FF Annotated Anodyne O=C(O)c1cccc2c1C(=O)c1ccc(N3CCCCC3)cc1S2(=O)=O ZINC000036389424 FF Annotated Anodyne CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(OCC)nc1)C(C)C ZINC000036434349 FF Annotated Reactive C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H](O)[C@@](C)(O)CC/C=C(\C)CC[C@@H]2O ZINC000036440571 FF Annotated Mild CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(Cl)nc1)C(C)C ZINC000036453094 FF Annotated Reactive O=C(O)c1c[nH]c2nc3c(cc2c1=O)N(c1ccccc1)C[C@@H]1CCCN31 ZINC000036471927 FF Annotated Anodyne Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)N1Cc1ccc2c(c1)C[C@H](C)O2 ZINC000036719610 FF Annotated Anodyne CSCCc1nc2nc(N3CCc4ccccc4C3)ccc2[nH]c1=O ZINC000037492446 FF Annotated Anodyne CC[C@@H](C)NC(=O)COC(=O)Cc1sc(N)nc1-c1ccc(C)cc1 ZINC000037868433 FF Annotated Anodyne O=C(OCc1ccsc1)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 ZINC000377391284 FF Annotated Anodyne CC1(C)N(O)c2ccc(COc3ccccc3/C=N\NC(N)=O)cc2[N+]1=O ZINC000377466644 FF Annotated Reactive CC1(C)N(O)c2ccc(COc3ccc(/C=N/NC(N)=O)cc3)cc2[N+]1=O ZINC000377466648 FF Annotated Reactive Cc1cc2c(cc1C)[n+](=O)c1cc(NCCCN(C)C)c(C#N)cc1n2O ZINC000377500289 FF Annotated Mild CN(C)CCCNc1cc2c(cc1C#N)[n+](=O)c1cc(Cl)ccc1n2O ZINC000377521731 FF Annotated Mild O=C(OCc1cccs1)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 ZINC000377602858 FF Annotated Anodyne Cn1cccnc1=NCCCCCCCCCCN=c1ncccn1C ZINC000377605754 FF Annotated Anodyne O=C(Cc1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12)OCc1ccccc1 ZINC000377612359 FF Annotated Anodyne CC(C)Cc1ccc([C@H](C)C(=O)OCON[N+](=O)N2CCCC2)cc1 ZINC000377790561 FF Annotated Anodyne CC(C)Cc1ccc([C@@H](C)C(=O)OCON[N+](=O)N2CCCC2)cc1 ZINC000377790562 FF Annotated Anodyne O=C(c1ccco1)c1c(C(F)(F)F)[n+](=O)c2cc(F)c(F)cc2n1O ZINC000377799760 FF Annotated Anodyne COC(=O)c1ccc(-c2c(C#N)n(O)c3cc(C)c(C)cc3[n+]2=O)cc1 ZINC000377811974 FF Annotated Mild CCOC(=O)c1cnn2c1[nH][n+](=O)c1ccc(Oc3ccccc3)cc12 ZINC000377815846 FF Annotated Anodyne CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)n(O)c2ccccc2[n+]1=O ZINC000377819274 FF Annotated Bother Cc1c2ccn([C@@H]3OC[C@@H](O)[C@H]3O)cc2c(C)c2c1nc1ccc(O)cc12 ZINC000377819828 FF Annotated Bother Cc1c2ccn([C@H]3OC[C@@H](O)[C@H]3O)cc2c(C)c2c1nc1ccc(O)cc12 ZINC000377819829 FF Annotated Bother COC(=O)N=c1cccc2n(C)c(-c3ccc(OC(=O)N(C)C)cc3)cn12 ZINC000377820927 FF Annotated Anodyne O=C(Cc1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12)Oc1ccccc1 ZINC000377829947 FF Annotated Anodyne COc1ccc2c(c1)n(O)c(C(=O)c1ccco1)c(C(F)(F)F)[n+]2=O ZINC000377829980 FF Annotated Anodyne COc1ccc2c(c1)n(O)c(-c1ccc(Br)cc1)c(N)[n+]2=O ZINC000377840446 FF Annotated Anodyne CCOC(=O)c1ccc2c(c1)n(O)c(C(=O)CC)c(C(F)(F)F)[n+]2=O ZINC000377845654 FF Annotated Anodyne COC(=O)c1c(C(F)(F)F)[n+](=O)c2cc(Cl)c(Cl)cc2n1O ZINC000377845658 FF Annotated Anodyne COC(=O)c1c(C(F)(F)F)[n+](=O)c2ccc(C(F)(F)F)cc2n1O ZINC000377845661 FF Annotated Anodyne COc1ccc(NN=C(C(N)=O)C2=NC(C)(C)Cc3ccccc32)cc1 ZINC000377848903 FF Annotated Mild COc1ccccc1C(=O)c1cnn2c1[nH][n+](=O)c1ccc(Cl)cc12 ZINC000377881170 FF Annotated Anodyne C=C(C#CCCO)CCN1C=C(C(=O)OCC)[C@H](c2ccccc2)NC1=O ZINC000038142405 FF Annotated Mild CCCNc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@@H](C)[C@@H](O)[C@H]1O ZINC000038142747 FF Annotated Anodyne CCn1c(=O)n(Cc2nc3ccccc3n2CCCO)c2ccccc21 ZINC000038142830 FF Annotated Anodyne CCn1c(=O)n(Cc2nc3ccccc3n2CCCCO)c2ccccc21 ZINC000038142848 FF Annotated Anodyne COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O ZINC000038143457 FF Annotated Anodyne COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)[C@H]2O ZINC000038147683 FF Annotated Anodyne COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)[C@@H]2O ZINC000038147684 FF Annotated Anodyne CC(=O)O[C@]1(C)CC[C@H]2C[C@@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 ZINC000038148216 FF Annotated Reactive CC(=O)O[C@@]1(C)CC[C@H]2C[C@@H]1OO[C@]2(C)CS(=O)(=O)c1ccccc1 ZINC000038148217 FF Annotated Reactive CC(=O)O[C@]1(C)CC[C@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000038148247 FF Annotated Reactive CC(=O)O[C@@]1(C)CC[C@H]2C[C@@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1 ZINC000038148248 FF Annotated Reactive COc1ccc2c(c1)C=C(CN1CCN(C3CCCC3)[C@H](CCO)C1)CO2 ZINC000038149469 FF Annotated Anodyne Cc1cc(-n2cccn2)ccc1CN1CCN(CC(C)C)[C@H](CCO)C1 ZINC000038149510 FF Annotated Anodyne COc1ccc(CCn2nnn[n+]2C2(c3ccc(C)cc3)CCCC2)cc1 ZINC000038149897 FF Annotated Anodyne CSc1cccc(NC(=O)CN2CCC(c3cccc[n+]3[O-])CC2)c1 ZINC000038149994 FF Annotated Anodyne CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc3c(c1)COO3)[C@@H](C)N2 ZINC000038152167 FF Annotated Reactive C[C@@H]1CC/C(=N\Nc2ccc(C3CC3)cc2)c2ncc(C(=O)O)c(=O)n21 ZINC000038153688 FF Annotated Mild C[C@H]1CC/C(=N\Nc2ccc(C3CC3)cc2)c2ncc(C(=O)O)c(=O)n21 ZINC000038153690 FF Annotated Mild CCOc1ccc(N/N=C2\CC[C@H](C)n3c2ncc(C(=O)O)c3=O)cc1 ZINC000038153696 FF Annotated Mild CCOc1ccc(N/N=C2\CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)cc1 ZINC000038153697 FF Annotated Mild Cc1nsc(-c2ccc(N3CCN(c4cccc(C#N)c4)CC3)nn2)n1 ZINC000038153792 FF Annotated Mild Cc1nsc(-c2ccc(N3CCN(c4cccc(F)c4)CC3)nn2)n1 ZINC000038153795 FF Annotated Anodyne COc1cccc(N2CCN(c3ccc(-c4nc(C)ns4)nn3)CC2)c1 ZINC000038153801 FF Annotated Anodyne COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc(N)c3C)cc2c1OCO2 ZINC000038153926 FF Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc(N)c3C)cc2c1OCO2 ZINC000038153927 FF Annotated Reactive COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc(N)c3N)cc(Cl)c1OC ZINC000038153952 FF Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc(N)c3N)cc(Cl)c1OC ZINC000038153953 FF Annotated Reactive N#CC1=C(N)Oc2c(ccc(N)c2N)[C@H]1c1cccc(Br)c1 ZINC000038153962 FF Annotated Reactive N#CC1=C(N)Oc2c(ccc(N)c2N)[C@@H]1c1cccc(Br)c1 ZINC000038153963 FF Annotated Reactive O=C1C(Cl)=CC(Cl)=C/C1=C\NNC(=S)N[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000038167513 FF Annotated Mild O=C1C(Cl)=CC(Cl)=C/C1=C\NNC(=S)N[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000038167514 FF Annotated Mild CN1Cc2c(ccc3c2OCO3)[C@]2(C)[C@@H]1c1cc3c(cc1C[C@H]2O)OCO3 ZINC000038191712 FF Annotated Anodyne C/C=C/c1cc(=O)c(C(=O)c2c(OC)cc(OC)cc2C(=O)OC)co1 ZINC000038192569 FF Annotated Anodyne C/C(=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000038204811 FF Annotated Mild Cc1cc(Nc2nn(C(C)C)c(=O)c3cc(N4CCOCC4)ccc23)[nH]n1 ZINC000038208943 FF Annotated Anodyne C=C1CC[C@H](O)[C@@]2(C)CC[C@@H](C(C)=O)[C@@H](OC(=O)/C=C/C(C)(C)O)[C@H]12 ZINC000038238124 FF Annotated Mild COc1ccc(C[C@@H]2COC[C@H]2[C@H](O)c2ccc3c(c2)OCO3)cc1OC ZINC000038244699 FF Annotated Anodyne CC(C)CC[C@@]1(O)CC(=O)c2c(Cc3cc(O)cc(=O)o3)cc(O)cc2O1 ZINC000038252619 FF Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@]23CCN2CCC[C@](C(C)=O)(C1)[C@@H]23 ZINC000038275862 FF Annotated Anodyne CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)CC[C@@]2(C)CCC1 ZINC000038288881 FF Annotated Anodyne COc1ccc2nc(Nc3nc(=O)c4c(OC)cccc4[nH]3)nc(C)c2c1 ZINC000038310515 FF Annotated Anodyne COc1cc2oc(C)cc(=O)c2c2c1C[C@H](C)[C@@]1(C[C@@H](O)C[C@H](C)O1)O2 ZINC000038422994 FF Annotated Anodyne in-vitro biogenic CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1 ZINC000038459154 FF Annotated Anodyne investigational Cn1c(NCC(=O)c2cccc(Cl)c2)nc(-c2ccncc2)cc1=O ZINC000038477287 FF Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]13CO[C@@]4(CC(=O)O[C@H]4O)[C@H](C[C@H]21)O3 ZINC000038494316 FF Annotated Anodyne O=C(O)[C@@]1(CCCCCCOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CO1 ZINC000038494508 FF Annotated Bother CC(=O)C[C@H]1[C@H]2[C@H](C=C[C@@H]3C(=O)[C@H](C)C[C@H]23)C[C@H]2C[C@@H]3CC(=O)[C@@]21C(=O)O3 ZINC000038495458 FF Annotated Anodyne COc1ccc([C@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@@H]2CO)cc1OC ZINC000038544225 FF Annotated Anodyne C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCOC(C)=O)[C@H](OC(C)=O)[C@H]12 ZINC000038618872 FF Annotated Mild CCOC(=O)c1cc(-c2csc(-c3ccnc(N)c3)n2)c(=O)[nH]c1C ZINC000038793632 FF Annotated Anodyne O=C(O)C[C@@H]1[C@H]2C=C[C@H]3C(c4ccc5c(c4)OCO5)=C[C@@H](O)[C@@H]4C[C@H]1[C@@H]2[C@@H]34 ZINC000038825080 FF Annotated Anodyne CC[C@]1(O)C[C@H]2C[C@@H](C(=O)OC)c3[nH]c4ccccc4c3CCN(C2)C1 ZINC000038930592 FF Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@H](OC)C1=CCOC1=O ZINC000038932145 FF Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@H](OC)C1=CCOC1=O ZINC000038932148 FF Annotated Mild C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@@H](OC)C1=CCOC1=O ZINC000038932151 FF Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@@H](OC)C1=CCOC1=O ZINC000038932155 FF Annotated Mild COC(=O)/C(=C/C[C@H]1[C@@]2(CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]31C)CO2)[C@@H]1CO1 ZINC000038932158 FF Annotated Anodyne COC(=O)/C(=C/C[C@H]1[C@@]2(CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]31C)CO2)[C@H]1CO1 ZINC000038932163 FF Annotated Anodyne COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@@H]2O)cc1 ZINC000038933085 FF Annotated Mild COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)C[C@H]2O)cc1 ZINC000038933088 FF Annotated Mild O=C1C[C@H](Cc2ccccc2)C(=O)N1OS(=O)(=O)/C=C/c1ccccc1 ZINC000038933209 FF Annotated Mild CCCc1c(C(=O)OC)c(OC)cc2c1C(=O)c1c(O)cccc1C2=O ZINC000038962807 FF Annotated Clean O=S(=O)(CS(=O)(=O)C(F)(F)F)c1c(Cl)cccc1Cl ZINC000039008622 FF Annotated Anodyne CC1(C)C[C@H]([C@]23CC[C@@](Cl)(CO)[C@@H](O)[C@H]2O3)CC[C@@H]1Br ZINC000039009244 FF Annotated Reactive COC[C@@]1(O)CC[C@@H]2C1=C[C@]1(C)C(=C(C(C)C)C[C@@H]1O)C[C@H](O)[C@@H]2C ZINC000039029085 FF Annotated Anodyne Oc1ccc(O)c2c1[C@@H](O)[C@H]1O[C@H]1C21Oc2cccc3cccc(c23)O1 ZINC000039029255 FF Annotated Anodyne C=C1[C@H](O)C[C@H]2[C@@](C)(COC(C)=O)C[C@H](O)C[C@]2(C)[C@H]1CCC(C)=O ZINC000039094421 FF Annotated Mild O=S(=O)(CS(=O)(=O)C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000039094994 FF Annotated Anodyne NS(=O)(=O)Oc1ccc2c(c1)S(=O)(=O)C(CC1CCCCCC1)=C2 ZINC000039123364 FF Annotated Anodyne in-vivo C[C@@H]1C[C@H](O)[C@@]23CO[C@@H](O)[C@@H]2CCC[C@@H]3[C@@]1(C)C[C@H](O)c1ccoc1 ZINC000039160167 FF Annotated Anodyne C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)CC(C)C)[C@@H]1[C@H]2O ZINC000039178006 FF Annotated Mild C[C@@H]1C(=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(COC(=O)C1)O2 ZINC000039178008 FF Annotated Anodyne CCC/C=C\C[C@]1(O)C2=C3[C@@H](CC[C@@H]3N(C(C)=O)C(NC(C)=O)=N2)C[C@@H]1C ZINC000039179382 FF Annotated Anodyne COC(=O)C[C@@]12CCCN3CC[C@]4(c5cccc(OC)c5N[C@@H]4CC1)[C@H]32 ZINC000039205785 FF Annotated Anodyne Cc1[nH]c2ccccc2c1CCN1CCN(NC(=O)c2ccccc2)CC1 ZINC000039219496 FF Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1cccnc1N1CCC[C@H]1c1ccccn1 ZINC000039229181 FF Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1cccnc1N1CCC[C@@H]1c1ccccn1 ZINC000039229182 FF Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1cc(Br)cnc1N1CCCCC1 ZINC000039229719 FF Annotated Anodyne Cc1nc([C@H]2CCCN(Cc3ccc4c(c3)CCCN4C)C2)cc(=O)[nH]1 ZINC000039372106 FF Annotated Clean CC1=C(CCN2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)C(C)(C)CCC1 ZINC000039380470 FF Annotated Anodyne COCc1ccc(CN2CCN(Cc3cccs3)[C@H](CCO)C2)o1 ZINC000039394566 FF Annotated Anodyne CC(C)=CCN1CCN(Cc2nc3ccccc3nc2C)C[C@H]1CCO ZINC000039406171 FF Annotated Anodyne Cc1cccc(-c2nnc(NC(=O)NC[C@@H](c3ccccn3)N(C)C)[nH]2)c1 ZINC000039500497 FF Annotated Anodyne Cc1cccc(-c2nnc(NC(=O)NC[C@H](c3ccccn3)N(C)C)[nH]2)c1 ZINC000039500498 FF Annotated Anodyne CNC(=O)c1ccc([C@@H]2CCCN2c2cc(C3CCNCC3)ncn2)s1 ZINC000039516229 FF Annotated Anodyne CNC(=O)c1ccc([C@H]2CCCN2c2cc(C3CCNCC3)ncn2)s1 ZINC000039516230 FF Annotated Anodyne Fc1cccc(-n2cc(CNc3cc(C4CCNCC4)ncn3)cn2)c1 ZINC000039530876 FF Annotated Anodyne N#Cc1cc2cc3c(cc2nc1SCC(=O)NCc1ccco1)OCO3 ZINC000039980864 FF Annotated Mild COc1ccccc1N1C(=O)[C@@H](C(C)=O)[C@@H]2[C@H]1Nc1ccccc1N2C ZINC000004003434 FF Annotated Anodyne COc1ccccc1N1C(=O)[C@H](C(C)=O)[C@H]2[C@H]1Nc1ccccc1N2C ZINC000004003435 FF Annotated Anodyne COc1ccccc1N1C(=O)[C@@H](C(C)=O)[C@H]2[C@H]1Nc1ccccc1N2C ZINC000004003436 FF Annotated Anodyne O=C(COC(=O)Cc1cn2ccsc2n1)NC12CC3CC(CC(C3)C1)C2 ZINC000004005171 FF Annotated Anodyne O=S1(=O)CC[C@H](SCc2nc3sccn3c2Br)C1 ZINC000004005184 FF Annotated Anodyne CSC1=Nc2oc3c(c2[C@@H](n2ncc(C#N)c2N)N1)CC(C)(C)SC3 ZINC000004006553 FF Annotated Mild COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(C)=O)c(OC)c1OC ZINC000004020246 FF Annotated Anodyne COc1cc2c(cc1OC)-c1c(OC)c(OC)c(O)c3c1[C@H](C2)NCC3 ZINC000004026254 FF Annotated Anodyne CCCCNC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000004034726 FF Annotated Anodyne Cc1ccc(CNC(=O)CCCOc2cc(=O)n(C)c3ccccc23)o1 ZINC000004034764 FF Annotated Anodyne O=C(Cn1ncn2c(cc3ccccc32)c1=O)NCCC1=CCCCC1 ZINC000004035174 FF Annotated Anodyne CC1=Nn2c(nc(-c3ccccc3)c2-c2ccccc2)N(CC(N)=O)C(=O)C1 ZINC000004038589 FF Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004041797 FF Annotated Mild CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004041798 FF Annotated Mild CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)NCCC#N)cc1 ZINC000004041800 FF Annotated Mild CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)NCCC#N)cc1 ZINC000004041802 FF Annotated Mild CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004043399 FF Annotated Mild CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004043401 FF Annotated Mild CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)NCCC#N)cc1 ZINC000004043405 FF Annotated Mild CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)NCCC#N)cc1 ZINC000004043407 FF Annotated Mild COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1 ZINC000004043503 FF Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 ZINC000004043504 FF Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccoc1 ZINC000004043508 FF Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccoc1 ZINC000004043509 FF Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000004048986 FF Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000004048987 FF Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000004048988 FF Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000004048989 FF Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004049306 FF Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004049307 FF Annotated Anodyne C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004049308 FF Annotated Anodyne C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004049309 FF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OC ZINC000004049362 FF Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OC ZINC000004049363 FF Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OC ZINC000004049364 FF Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1OC ZINC000004049365 FF Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000004049427 FF Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000004049428 FF Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 ZINC000004049429 FF Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 ZINC000004049430 FF Annotated Anodyne O=C(NCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004049495 FF Annotated Anodyne O=C(NCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004049496 FF Annotated Anodyne O=C(NCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004049497 FF Annotated Anodyne O=C(NCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004049498 FF Annotated Anodyne O=C(NCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004049515 FF Annotated Anodyne O=C(NCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004049516 FF Annotated Anodyne O=C(NCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004049517 FF Annotated Anodyne O=C(NCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004049518 FF Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 ZINC000004050143 FF Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000004050144 FF Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1 ZINC000004050145 FF Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000004050146 FF Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000004051583 FF Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000004051585 FF Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000004051587 FF Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1 ZINC000004051588 FF Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)N1CCOCC1 ZINC000004051919 FF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N1CCOCC1 ZINC000004051920 FF Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000004051926 FF Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 ZINC000004051931 FF Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004052598 FF Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 ZINC000004052603 FF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000004055073 FF Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000004055074 FF Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000004055075 FF Annotated Anodyne O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000004055210 FF Annotated Anodyne O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004055211 FF Annotated Anodyne O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000004055212 FF Annotated Anodyne O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004055213 FF Annotated Anodyne CCOC(=O)[C@H]1S[C@]2(C(F)(F)F)C[C@@]1(O)c1c(C)cc(C)nc1O2 ZINC000004058297 FF Annotated Anodyne CCOC(=O)[C@@H]1S[C@]2(C(F)(F)F)C[C@@]1(O)c1c(C)cc(C)nc1O2 ZINC000004058298 FF Annotated Anodyne O=C(c1cnc2sccn2c1=O)N(Cc1ccccc1)c1ccccn1 ZINC000004061218 FF Annotated Anodyne O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1)N1CCOCC1 ZINC000004077493 FF Annotated Anodyne O=C([C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1)N1CCOCC1 ZINC000004077502 FF Annotated Anodyne Cc1cc(C)n(C(=O)CCNC(=O)c2ccccc2Br)n1 ZINC000004078512 FF Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N(C)C ZINC000004079802 FF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N(C)C ZINC000004079806 FF Annotated Anodyne COC(=O)c1cc2occc2n1CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000004100665 FF Annotated Anodyne O=C(CN1C(=O)CN=C(c2ccccc2)c2ccccc21)NCc1ccco1 ZINC000004100753 FF Annotated Anodyne Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCCCN2CCC[C@H](C)C2)cc1 ZINC000004101814 FF Annotated Anodyne Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCCCN2CCC[C@H](C)C2)cc1 ZINC000004101815 FF Annotated Anodyne CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@H]1C ZINC000004102288 FF Annotated Mild in-vitro COc1ccc2c(c1OC)C(=O)O[C@]21C=Cc2cc3c(cc2C1=O)OCO3 ZINC000004102439 FF Annotated Anodyne in-vitro CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccncc2)[C@@H]2C(=O)CCCC2=N1 ZINC000004132202 FF Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccncc2)[C@@H]2C(=O)CCCC2=N1 ZINC000004132207 FF Annotated Anodyne CCn1c(S[C@@H](C(C)=O)C(=O)N(C)C)nnc1-c1c[nH]c2ccccc12 ZINC000004138628 FF Annotated Anodyne CCn1c(S[C@H](C(C)=O)C(=O)N(C)C)nnc1-c1c[nH]c2ccccc12 ZINC000004138630 FF Annotated Anodyne Cn1c(=O)cc(SCC(=O)NC[C@@H]2CCCO2)c2ccc(Cl)cc21 ZINC000004143779 FF Annotated Anodyne Cn1c(=O)cc(SCC(=O)NC[C@H]2CCCO2)c2ccc(Cl)cc21 ZINC000004143782 FF Annotated Anodyne O=[N+]([O-])c1c(-c2nnco2)n[nH]c1Nc1ccc(Br)cc1 ZINC000004149118 FF Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NC[C@@H](O)CC ZINC000004152395 FF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NC[C@H](O)CC ZINC000004152396 FF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000004152397 FF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004152398 FF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCC#N ZINC000004153310 FF Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCC#N ZINC000004153312 FF Annotated Mild CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCC#N ZINC000004153313 FF Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCC#N ZINC000004153315 FF Annotated Mild CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCCOC ZINC000004153360 FF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCCOC ZINC000004153362 FF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCCOC ZINC000004153364 FF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCCOC ZINC000004153366 FF Annotated Anodyne COc1cc(C)c(C(=O)Oc2cc(C)c(O)c(C(=O)O)c2C)c(O)c1C=O ZINC000004164964 FF Annotated Anodyne in-vitro O=C(COC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000004165889 FF Annotated Anodyne O=C(COC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000004165891 FF Annotated Anodyne Cc1ccc2oc(=O)c3cc(C(=O)N4CCC(C(N)=O)CC4)sc3c2c1 ZINC000004176206 FF Annotated Anodyne Cc1ccc(C(=O)N/N=c2/oc3ccc(Cl)cc3cc2C(N)=O)cc1 ZINC000004177569 FF Annotated Reactive O=C(O)[C@@H](Cc1cc2ccccc2[nH]1)N1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O ZINC000004180898 FF Annotated Clean CC(C)(C)NC(=O)[C@H]1C(=O)CN[C@]23CCCC[C@@H]2[C@H]1c1ccccc1O3 ZINC000004184500 FF Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1C(=O)CN[C@]23CCCC[C@@H]2[C@H]1c1ccccc1O3 ZINC000004184502 FF Annotated Anodyne CCN(CCCNC(=O)c1n[nH]c(=O)c2ccccc12)Cc1ccccc1 ZINC000004193908 FF Annotated Anodyne O=c1[nH]nc(Sc2ncnc3sccc23)n1CCc1ccccc1 ZINC000004198378 FF Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000004206327 FF Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000004206330 FF Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000004206334 FF Annotated Anodyne O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000004206682 FF Annotated Anodyne O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004206683 FF Annotated Anodyne O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000004206685 FF Annotated Anodyne O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004206689 FF Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCO ZINC000004206716 FF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCO ZINC000004206717 FF Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCO ZINC000004206720 FF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCO ZINC000004206723 FF Annotated Anodyne O=C([C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1)N1CCOCC1 ZINC000004208528 FF Annotated Anodyne O=C([C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1)N1CCOCC1 ZINC000004208529 FF Annotated Anodyne Cc1nn(CCc2nn[nH]n2)c2nc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000004211407 FF Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCOCCO ZINC000004212646 FF Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCOCCO ZINC000004212649 FF Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCOCCO ZINC000004212652 FF Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCOCCO ZINC000004212655 FF Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCOCCO ZINC000004213600 FF Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCOCCO ZINC000004213603 FF Annotated Anodyne CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCOCCO ZINC000004213605 FF Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCOCCO ZINC000004213608 FF Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC2(CC1)CCN(c1ncccn1)CC2 ZINC000004238064 FF Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1 ZINC000004238066 FF Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC2(CCCN(C(=O)NC(C)C)C2)CC1 ZINC000004238078 FF Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1 ZINC000004238185 FF Annotated Anodyne COc1ncc2nc(-c3ccccc3)c(=O)n(Cc3cccs3)c2n1 ZINC000004238267 FF Annotated Anodyne O=c1cnc2cnc(OCc3ccccc3)nc2n1Cc1ccc(F)cc1 ZINC000004238538 FF Annotated Anodyne O=c1cnc2cnc(Oc3cccc(Cl)c3)nc2n1C[C@H]1CCCO1 ZINC000004238617 FF Annotated Anodyne COc1ncc2nc(CCc3ccccc3)c(=O)n(-c3ccccc3)c2n1 ZINC000004238648 FF Annotated Anodyne COc1ccc(-c2nc3cnc(N(C)C)nc3n(-c3ccccc3)c2=O)cc1 ZINC000004238738 FF Annotated Anodyne COc1cccc(Cn2c(=O)c(-c3cccs3)nc3cncnc32)c1 ZINC000004238797 FF Annotated Anodyne CCNc1ncc2nc(-c3ccc(F)cc3)c(=O)n(C[C@H]3CCCO3)c2n1 ZINC000004238838 FF Annotated Anodyne CCNc1ncc2nc(-c3cccs3)c(=O)n(C[C@H]3CCCO3)c2n1 ZINC000004238854 FF Annotated Anodyne COc1ccc(-n2c(=O)c(-c3cccs3)nc3cnc(OC)nc32)cc1 ZINC000004238964 FF Annotated Anodyne CN(Cc1ccco1)c1cc(-c2cccc(NS(C)(=O)=O)c2)ncn1 ZINC000004239264 FF Annotated Anodyne CN(Cc1ccco1)c1ncncc1-c1cccc(NS(C)(=O)=O)c1 ZINC000004239370 FF Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2nc(-n3ccnc3)c3ccccc3n2)c1 ZINC000004239428 FF Annotated Anodyne COc1cc(OC)c2c(c1Cl)O[C@@]1(C2=O)[C@@H](C)CC(=O)C[C@H]1OC ZINC000004245626 FF Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2cncnc2NCc2cccnc2)c1 ZINC000004257411 FF Annotated Anodyne CN(Cc1ccco1)c1ccnc(-c2cccc(NS(C)(=O)=O)c2)n1 ZINC000004257436 FF Annotated Anodyne O=C1Cc2cc(NS(=O)(=O)c3cc(F)ccc3F)cc3c2N1CCC3 ZINC000004270410 FF Annotated Anodyne CCOC(=O)CSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o1 ZINC000004295443 FF Annotated Anodyne O=C(NCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296279 FF Annotated Anodyne O=C(NCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296280 FF Annotated Anodyne O=C(NCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296281 FF Annotated Anodyne O=C(NCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296282 FF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N(C)C)c(OC)c1 ZINC000004296318 FF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N(C)C)c(OC)c1 ZINC000004296319 FF Annotated Anodyne CCc1ccc(S(=O)(=O)c2c[nH]c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000004317866 FF Annotated Anodyne CCOC(=O)c1ccccc1Oc1c(F)c(F)nc(NCCO)c1F ZINC000004320669 FF Annotated Anodyne Cc1cc(NC(=O)CSc2nnc3c4c(C)c(C)sc4ncn23)no1 ZINC000004375129 FF Annotated Anodyne OC1(c2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2Cc1nnnn1C1CCCC1 ZINC000004410368 FF Annotated Anodyne CCn1c(C)c(CCC(=O)O)c(=O)n2nc(-c3ccccc3OC)cc12 ZINC000004435591 FF Annotated Anodyne CC[C@@H](C)NC(=O)[C@]1(C)CCC(=O)N1CCc1ccc(OC)c(OC)c1 ZINC000004437108 FF Annotated Anodyne CC[C@H](C)NC(=O)[C@]1(C)CCC(=O)N1CCc1ccc(OC)c(OC)c1 ZINC000004437112 FF Annotated Anodyne CC[C@@H](C)NC(=O)[C@@]1(C)CCC(=O)N1CCc1ccc(OC)c(OC)c1 ZINC000004437115 FF Annotated Anodyne CC[C@H](C)NC(=O)[C@@]1(C)CCC(=O)N1CCc1ccc(OC)c(OC)c1 ZINC000004437118 FF Annotated Anodyne CCC(=O)Nc1ccc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1 ZINC000004469462 FF Annotated Anodyne Cc1ccccc1N1C(=O)c2cc([S@@](=O)ON)c(Cl)cc2N[C@H]1C ZINC000004475286 FF Annotated Mild Cc1ccccc1N1C(=O)c2cc([S@@](=O)ON)c(Cl)cc2N[C@@H]1C ZINC000004475288 FF Annotated Mild Cc1ccccc1N1C(=O)c2cc([S@](=O)ON)c(Cl)cc2N[C@H]1C ZINC000004475290 FF Annotated Mild CN(Cc1ccsc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000040103309 FF Annotated Anodyne CN1CCN(CCNC2=Nc3ccccc3/C(=C/C#N)c3ccccc32)CC1 ZINC000040374947 FF Annotated Reactive c1cc(OC[C@@H]2CN(C3CCCC3)CCO2)ccc1CN1CCOCC1 ZINC000040379192 FF Annotated Anodyne c1cc(OC[C@H]2CN(C3CCCC3)CCO2)ccc1CN1CCOCC1 ZINC000040379193 FF Annotated Anodyne CCC[C@@H](O)C1=C(Br)/C(=C/I)OC1=O ZINC000040379395 FF Annotated Anodyne O=C1C2=C(CCCC2)S(=O)(=O)N1c1c(F)c(F)c(F)c(F)c1F ZINC000040379626 FF Annotated Anodyne CCOC(=O)c1c2c(n3cccc(Cl)c13)C(=O)c1ncccc1C2=O ZINC000040379651 FF Annotated Clean COc1ccc(-c2c(C#N)[n+]([O-])c3cc(C(F)(F)F)ccc3[n+]2[O-])cc1 ZINC000040380647 FF Annotated Mild O=CN(O)C[C@@H](CC1CC1)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 ZINC000040391066 FF Annotated Anodyne COC(=O)[C@@]12COCC[C@H]3[C@@H]1CC[N+](C)([O-])[C@H]3c1c2[nH]c2ccccc12 ZINC000040393098 FF Annotated Bother C[C@]1(CO)C=Cc2cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc(O)c2O1 ZINC000040393162 FF Annotated Anodyne C[C@@]1(CO)C=Cc2cc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)cc(O)c2O1 ZINC000040393163 FF Annotated Anodyne COc1ccc(C2=NCCN2)cc1-c1cc2ccc(C3=NCCN3)cc2o1 ZINC000040393991 FF Annotated Anodyne CN1CCC=C([C@@H]2CN(C(=S)Nc3cccc(Cl)c3)CCO2)C1 ZINC000040394429 FF Annotated Anodyne CN1CCC=C([C@H]2CN(C(=S)Nc3cccc(Cl)c3)CCO2)C1 ZINC000040394430 FF Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CC/C(=C/CO)C(=O)O ZINC000040394494 FF Annotated Mild in-vitro biogenic CCNC(=S)NNc1c(Cc2cccc(C)c2)c(CC)c(C)[nH]c1=O ZINC000040394544 FF Annotated Anodyne CCOC(=O)c1cnn(C[C@@H](O)CC)c1NC(=O)Nc1cccc(F)c1 ZINC000040394558 FF Annotated Anodyne CCOC(=O)c1cnn(C[C@H](O)CC)c1NC(=O)Nc1cccc(F)c1 ZINC000040394559 FF Annotated Anodyne C[C@@]12CCC[C@]3(C)c4cc5c(cc4C(=O)[C@](O)(OC1)[C@H]23)C(=O)C=CC5=O ZINC000040395528 FF Annotated Mild in-vitro Cc1c(C(=O)N/N=C/c2ccccc2)nnn1Nc1ccc(Cl)cc1 ZINC000040395703 FF Annotated Reactive CC(C)c1n[nH]c2c(=O)[nH]c(C[C@@H]3CCCC[C@H]3Nc3ncccn3)nc12 ZINC000040395708 FF Annotated Anodyne COc1ccc(Oc2ccc3c(c2)CCc2nncc(=O)n2-3)cc1OC ZINC000040401514 FF Annotated Anodyne CCOC(=O)[C@@H]1CC(C(=O)c2ccccc2N)=NN1Cc1ccccc1 ZINC000040402649 FF Annotated Anodyne CCOC(=O)[C@H]1CC(C(=O)c2ccccc2N)=NN1Cc1ccccc1 ZINC000040402652 FF Annotated Anodyne Cc1ccc2c(c1)C(=O)N(CCOC(=S)Nc1ccc(C#N)cc1)C2=O ZINC000040402693 FF Annotated Mild COc1ccc(C(=O)/C=C/c2ccccn2)c(O)c1CN1CCOCC1 ZINC000040402860 FF Annotated Mild COc1cc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)ccc1F ZINC000040403061 FF Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)ccc1F ZINC000040403064 FF Annotated Anodyne Cc1cc(C)cc(S(=O)(=O)n2c(=O)[nH]c3cc(F)c(Cl)cc32)c1 ZINC000040403255 FF Annotated Anodyne O=C(CN1CCOCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000040403414 FF Annotated Anodyne CN1CCN(CC(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)CC1 ZINC000040403868 FF Annotated Anodyne COc1ccc(-c2c(C#N)[n+]([O-])c3cc(Cl)c(Cl)cc3[n+]2[O-])cc1 ZINC000040403937 FF Annotated Mild N#CCOc1cccc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1 ZINC000040404206 FF Annotated Mild N#CCOc1cccc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1 ZINC000040404209 FF Annotated Mild O=C1C[C@H]2O[C@H](c3cccs3)C3=C(C(=O)c4ccccc4C3=O)[C@H]2O1 ZINC000040405277 FF Annotated Mild C/C1=C\CC[C@@](C)(O)[C@H]2C[C@H](CC[C@](C)(O)[C@H](O)CC1)[C@@H](C)C(=O)O2 ZINC000040405413 FF Annotated Anodyne CCN(CCOC)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12 ZINC000040406074 FF Annotated Anodyne COc1ccc(NC(=S)N/N=C/c2ccc([N+](=O)[O-])o2)c(OC)c1 ZINC000040406477 FF Annotated Mild COc1cc(Cc2nc(-c3ccccc3)nnc2O)cc(OC)c1OC ZINC000040406732 FF Annotated Anodyne N#C/C(=C\N1CCN(C(=O)c2ccco2)C1=S)C(=O)c1ccccc1 ZINC000040406881 FF Annotated Reactive CC(=O)/C(=C/N1CCN(C(=O)c2ccco2)C1=O)C(=O)c1ccccc1 ZINC000040407501 FF Annotated Mild COc1cc(O)c(C(=O)/C=C/c2cccnc2)cc1CN1CCOCC1 ZINC000040408409 FF Annotated Mild O=C(c1ccccc1)N1CCN(/N=C/c2c(Cl)nc3sccn23)C1=O ZINC000040408726 FF Annotated Mild CO[C@H]1C=C(CC[C@@]2(C)[C@H](C)[C@H](O)[C@H](O)[C@@]3(C)C(C)=CCC[C@H]23)C(=O)O1 ZINC000040409484 FF Annotated Anodyne CO[C@@H]1C=C(CC[C@@]2(C)[C@H](C)[C@H](O)[C@H](O)[C@@]3(C)C(C)=CCC[C@H]23)C(=O)O1 ZINC000040409488 FF Annotated Anodyne Cc1c(/N=C2\O[C@H](C(F)(F)F)[C@@H]3[C@@H](O)CCN23)ccc(C#N)c1Cl ZINC000040410424 FF Annotated Mild O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1cc(F)cc(F)c1 ZINC000040411440 FF Annotated Anodyne O=[N+]([O-])c1cc2n(n1)C[C@H](OCc1ccc(OC(F)(F)F)cc1)CN2 ZINC000040411618 FF Annotated Bother O=[N+]([O-])c1cc2n(n1)C[C@@H](OCc1ccc(OC(F)(F)F)cc1)CN2 ZINC000040411621 FF Annotated Bother CCn1cc(C(=O)NC)c(=O)c2cc(F)c3c(nc(CC(C)C)n3C)c21 ZINC000040413501 FF Annotated Anodyne COc1ccc2c(=O)[nH]c(Nc3nc(C)c4cc(OC)ccc4n3)nc2c1 ZINC000040413841 FF Annotated Anodyne CCCCc1nc2c3c(cc(F)c2n1C)c(=O)c(C(=O)NC)cn3CC ZINC000040414003 FF Annotated Anodyne CCOc1cc(O)c(C(=O)/C=C/c2cccnc2)cc1CN1CCOCC1 ZINC000040414532 FF Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C(OC)=C1/CCOC1=O ZINC000040420269 FF Annotated Mild Nc1nc(N)c2c(n1)N(c1ccccc1)c1cc(Cl)ccc1S2(=O)=O ZINC000040420314 FF Annotated Anodyne COc1cc(C2=NCCN2)ccc1-c1cc2ccc(C3=NCCN3)cc2o1 ZINC000040420433 FF Annotated Anodyne Cc1nc(-c2ccccc2)oc1C(=O)N(CC(=O)O)Cc1ccccc1N ZINC000040421031 FF Annotated Anodyne CC1=C2CC[C@H](C)[C@@H]3CC[C@](C)(O)[C@H](CC[C@@](C)(O)C[C@@H]2OC1=O)O3 ZINC000040421086 FF Annotated Anodyne COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1 ZINC000040421542 FF Annotated Anodyne COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1 ZINC000040421544 FF Annotated Anodyne COc1cccc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1OC ZINC000040421572 FF Annotated Anodyne COc1cccc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1OC ZINC000040421574 FF Annotated Anodyne CN1C(=O)[C@H]2[C@@H](N=C(/C=C/c3ccc(Cl)c(Cl)c3)N2C)N(C)C1=O ZINC000040421603 FF Annotated Anodyne CN1C(=O)[C@@H]2[C@@H](N=C(/C=C/c3ccc(Cl)c(Cl)c3)N2C)N(C)C1=O ZINC000040421605 FF Annotated Anodyne CN1C(=O)[C@H]2[C@H](N=C(/C=C/c3ccc(Cl)c(Cl)c3)N2C)N(C)C1=O ZINC000040421607 FF Annotated Anodyne CN1C(=O)[C@@H]2[C@H](N=C(/C=C/c3ccc(Cl)c(Cl)c3)N2C)N(C)C1=O ZINC000040421609 FF Annotated Anodyne CN1C[C@@H](OCc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc21 ZINC000040422234 FF Annotated Bother COC(=O)c1c(C)nc(C)c2c1C(=O)C=C(N(C)c1ccccc1)C2=O ZINC000040422453 FF Annotated Mild CCOc1nc(NCCc2ccncc2)ncc1-c1nnc(C2CC2)o1 ZINC000040422541 FF Annotated Anodyne COc1cc(OC)cc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1 ZINC000040422762 FF Annotated Anodyne CCOC(=O)c1sc(N)c(C(=O)N/N=C/c2ccc(OC)cc2)c1C ZINC000040422984 FF Annotated Reactive N#Cc1c(-c2ccc(OC(F)(F)F)cc2)[n+]([O-])c2ccc(F)cc2[n+]1[O-] ZINC000040423321 FF Annotated Mild C[C@@H]1C(=O)Nc2ccc(F)cc2N1S(=O)(=O)c1cccc2cccnc12 ZINC000040423599 FF Annotated Anodyne C[C@H]1C(=O)Nc2ccc(F)cc2N1S(=O)(=O)c1cccc2cccnc12 ZINC000040423600 FF Annotated Anodyne N=C1S/C(=C\c2n[nH]nc2-c2ccccc2)C(=O)N1c1nccs1 ZINC000040423741 FF Annotated Anodyne C[C@@H]1NC(c2cccc(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 ZINC000040424016 FF Annotated Anodyne COC(=O)c1cc(CCc2cc(OC(C)=O)ccc2OC(C)=O)ccc1O ZINC000040424884 FF Annotated Anodyne N=C1S/C(=C\c2c[nH]nc2-c2ccccc2)C(=O)N1c1nncs1 ZINC000040428939 FF Annotated Anodyne O=C1NC(=S)N=C(O)/C1=C\c1ccc(-c2ccc(F)cc2C(=O)O)o1 ZINC000040430218 FF Annotated Clean N#C/C=C1/c2ccccc2N=C(N2CC[N+]([O-])(CCO)CC2)c2ccccc21 ZINC000040434116 FF Annotated Reactive COc1ccc(Br)c2cc(CC3=NO[S@@](=O)N3)ccc12 ZINC000040449910 FF Annotated Mild COc1ccc(Br)c2cc(CC3=NO[S@](=O)N3)ccc12 ZINC000040449912 FF Annotated Mild CC(=O)Nc1c([N+](=O)[O-])cc2c(c1N1CCCCC1)C[C@H](O)C(C)(C)O2 ZINC000040465519 FF Annotated Bother C[C@@H]1CC[C@@](C)(/N=N\c2ccccc2C(=O)O)c2ncc(C(=O)O)c(=O)n21 ZINC000040465906 FF Annotated Clean C[C@H]1CC[C@@](C)(/N=N/c2ccccc2C(=O)O)c2ncc(C(=O)O)c(=O)n21 ZINC000040465909 FF Annotated Clean COC(=O)CCCC(=O)Nc1ccc2c(Cl)c(OC)oc(=O)c2c1 ZINC000040466428 FF Annotated Anodyne CCCCc1ccc(Nc2nc(OC)c3ncn(COCCO)c3n2)cc1 ZINC000040466803 FF Annotated Anodyne CCOC(=O)[C@H](C(C)C)N1C(=O)[C@@H](C)S[C@H]1c1cccc(OC)c1O ZINC000040476781 FF Annotated Anodyne CCOC(=O)[C@@H](C(C)C)N1C(=O)[C@@H](C)S[C@@H]1c1cccc(OC)c1O ZINC000040476782 FF Annotated Clean CCOC(=O)[C@H](C(C)C)N1C(=O)[C@@H](C)S[C@@H]1c1cccc(OC)c1O ZINC000040476783 FF Annotated Clean N=C(N)c1ccc(-c2ccc(-c3cn4c(n3)CC[C@H](C(=N)N)C4)cc2)cc1 ZINC000040487375 FF Annotated Anodyne N=C(N)c1ccc(-c2cccc(-c3cn4c(n3)CC[C@H](C(=N)N)C4)c2)cc1 ZINC000040487403 FF Annotated Anodyne CCc1cc2c(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)c[nH]c(=O)c2o1 ZINC000040499306 FF Annotated Anodyne CCCCOP(=O)(OCCCC)On1c(=O)[nH]c2ccccc2c1=O ZINC000040504154 FF Annotated Anodyne COC(=O)N1C(c2ccccc2)=NN=C(c2ccccc2)N1C(=O)OC ZINC000040504815 FF Annotated Anodyne NC(=O)c1ccc[n+](CCCCCCCCC[n+]2ccc(/C=N/O)cc2)c1 ZINC000040556764 FF Annotated Mild O/N=C/c1cc[n+](CCCCCCCC[n+]2ccc(/C=N/O)cc2)cc1 ZINC000040556782 FF Annotated Mild O=C(c1ccc([N+](=O)[O-])o1)N1CCc2cc(N3CCSCC3)ccc2C1 ZINC000040564071 FF Annotated Clean C=C1CC[C@H]2[C@@](C)(CC[C@H]3OCOC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000040565046 FF Annotated Mild CCOC(=O)COn1c(C)[n+]([O-])c2cc(/C=C/c3ccccc3)ccc21 ZINC000040565995 FF Annotated Anodyne CCN1C(=O)N(c2ccc(OC)cc2)C(=O)[C@]12OC(=O)c1ccccc12 ZINC000040568097 FF Annotated Anodyne CCN1C(=O)N(c2ccc(OC)cc2)C(=O)[C@@]12OC(=O)c1ccccc12 ZINC000040568099 FF Annotated Anodyne COc1ccc(CCn2ncc(C(=O)c3ccc(N(C)C)cc3)n2)cc1 ZINC000040568604 FF Annotated Anodyne CCCN1C(=O)N2C[C@H](CC)N=C2c2[nH]c(C34CCC(O)(CC3)CC4)nc21 ZINC000040576000 FF Annotated Anodyne CCCS(=O)(=O)c1c(O)n(Cc2ccccc2)c(=O)c2ccccc12 ZINC000040617321 FF Annotated Anodyne NC(=O)[C@@]12CCCC[C@@H](CC1)[C@H]2NS(=O)(=O)c1ccc(Cl)s1 ZINC000040620599 FF Annotated Anodyne CC(=O)Nc1cc2c(c(N3CCCCC3)c1[N+](=O)[O-])C[C@H](O)C(C)(C)O2 ZINC000040631951 FF Annotated Bother CCc1c(F)c(N2CCN[C@H](C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000040639915 FF Annotated Anodyne CCc1c(F)c(N2CCN[C@@H](C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000040639918 FF Annotated Anodyne CC(C)CC[C@H]1CC(=O)N(OS(=O)(=O)/C=C/c2ccccc2)C1=O ZINC000040651455 FF Annotated Mild CN1C(C(=O)Nc2cccc(Cl)c2)=C(O)c2sccc2S1(=O)=O ZINC000040719249 FF Annotated Anodyne COc1cc(COCc2ccc(-n3cc(C(=O)O)cn3)nc2)cc(OC)c1 ZINC000040753286 FF Annotated Anodyne Cc1ccc(OC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CCO2)cn1 ZINC000040762496 FF Annotated Anodyne Cc1ccc(OC[C@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)CCO2)cn1 ZINC000040762498 FF Annotated Anodyne Cc1ccc(OC[C@@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CCO2)cn1 ZINC000040762500 FF Annotated Anodyne Cc1ccc(OC[C@H]2CN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CCO2)cn1 ZINC000040762502 FF Annotated Anodyne NC(=O)c1cc[n+](CCCCCCCCC[n+]2ccc(/C=N/O)cc2)cc1 ZINC000040762627 FF Annotated Mild CCNC(=O)N(c1ccc(OC)cc1)c1ccnc(N[C@@H](C)COC)n1 ZINC000040762789 FF Annotated Anodyne COc1ccc([C@H]2[C@H]3CCc4ccc(OC)cc4C3=NN2C(=N)N)cc1 ZINC000040766685 FF Annotated Anodyne C[C@H]1CCC[C@@H](C)N1CCCNC(=O)CN1CC[C@H](c2ccccc2)C1=O ZINC000040810482 FF Annotated Anodyne C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)CN1CC[C@H](c2ccccc2)C1=O ZINC000040810484 FF Annotated Anodyne COC(=O)c1c(C)nc(C)c2c1C(=O)C=C(Nc1ccc(OC)cc1)C2=O ZINC000040828807 FF Annotated Mild O=C(O)CO[C@@H](Cn1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC000040835500 FF Annotated Anodyne O=C(O)CO[C@H](Cn1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC000040835502 FF Annotated Anodyne CCC[C@@H]1C[C@@H]2OC(=O)c3c(cc(OC)c(OC)c3OC(C)=O)[C@@H]2O1 ZINC000040835969 FF Annotated Anodyne CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(Cl)nc1)SC ZINC000040845324 FF Annotated Reactive COC(=O)c1c(C)nc(C)c2c1C(=O)C=C(Nc1ccc(O)cc1)C2=O ZINC000040845452 FF Annotated Mild COC(=O)c1ccc2c(c1C(=O)OC)C(=O)[C@@H](Br)CC2(C)C ZINC000040845545 FF Annotated Reactive COC(=O)c1ccc2c(c1C(=O)OC)C(=O)[C@H](Br)CC2(C)C ZINC000040845547 FF Annotated Reactive COc1ccccc1NCCS(=O)(=O)c1nonc1-c1ccccc1 ZINC000040845916 FF Annotated Anodyne C=C1C(=O)[C@@H]2C3=C(C[C@H](O)[C@@H]4C(C)(C)CC[C@H](OC(C)=O)[C@@]34C)C[C@H]1[C@@H]2O ZINC000040846677 FF Annotated Mild CC1(C)Oc2ccc(C#N)cc2[C@@H](NC(=O)c2cnccc2Cl)[C@@H]1O ZINC000040846691 FF Annotated Mild COc1ccc2c(c1OC)C[C@H]1NCCc3c(OC)c4c(c-2c31)OCO4 ZINC000040848007 FF Annotated Anodyne Nc1nc(N)c2c(n1)N(c1ccccc1)c1ccc(Cl)cc1S2(=O)=O ZINC000040848330 FF Annotated Anodyne CN(C)CCN1C(=O)c2cccc3cc(N4CCCCC4)cc(c23)C1=O ZINC000040859897 FF Annotated Anodyne CNC(=N)Nc1ccc(-c2ccc(-c3ccc(NC(=N)NC)cn3)cc2)nc1 ZINC000040861630 FF Annotated Anodyne COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H](C)C(=O)c1ccc(O)c(O)c1 ZINC000040862085 FF Annotated Clean COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H](C)C(=O)c1ccc(O)c(O)c1 ZINC000040862087 FF Annotated Clean COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H](C)C(=O)c1ccc(O)c(O)c1 ZINC000040862089 FF Annotated Clean COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H](C)C(=O)c1ccc(O)c(O)c1 ZINC000040862091 FF Annotated Clean CN(C)CCN1C(=O)c2cccc3cc(N4CCSCC4)cc(c23)C1=O ZINC000040862562 FF Annotated Anodyne CCOC(=O)c1c2c(n3cccc(Cl)c13)C(=O)c1cccnc1C2=O ZINC000040862664 FF Annotated Clean C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)[C@]1(C)CC[C@@H](O1)C(=C)CCC[C@H](C)[C@H]2O ZINC000040866174 FF Annotated Mild CC1=C(c2ccccc2)C(=O)N(c2c(F)c(F)nc(F)c2F)S1(=O)=O ZINC000040866541 FF Annotated Anodyne O=C(O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12 ZINC000040873600 FF Annotated Anodyne CN(CCO)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 ZINC000040874260 FF Annotated Anodyne C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=C[C@H](OC)OC1=O ZINC000040874546 FF 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/C1=C[C@@H](OC)OC1=O ZINC000040874548 FF Annotated Mild CN1CCC=C([C@@H]2CN(C(=S)Nc3ccc(Cl)cc3)CCO2)C1 ZINC000040875871 FF Annotated Anodyne CN1CCC=C([C@H]2CN(C(=S)Nc3ccc(Cl)cc3)CCO2)C1 ZINC000040875874 FF Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3cc(OC(C)=O)ccc3oc2c1 ZINC000040875981 FF Annotated Bother CO[C@H]1OC[C@]2(C)CCC[C@]3(COC(=O)[C@@]45C[C@@H](CC[C@H]43)[C@@H](C)C5=O)[C@H]12 ZINC000040876518 FF Annotated Anodyne in-vitro biogenic CC(=O)n1nc(-c2nc(CNC(=O)OC(C)(C)C)no2)c2ccccc21 ZINC000040879507 FF Annotated Anodyne COCc1nnc(-c2cnc(-c3ccccc3)cn2)n1-c1ccc(OC)nc1 ZINC000040880889 FF Annotated Anodyne CO[C@@H]1OC[C@]2(C)CCC[C@]3(COC(=O)[C@@]45C[C@@H](CC[C@H]43)[C@H](C)C5=O)[C@H]12 ZINC000040880928 FF Annotated Anodyne in-vitro biogenic CC(=O)O[C@H](c1ccccc1)c1cc(=O)c(C(=O)NC(=O)CC(C)C)co1 ZINC000040891744 FF Annotated Anodyne CC(=O)O[C@@H](c1ccccc1)c1cc(=O)c(C(=O)NC(=O)CC(C)C)co1 ZINC000040891745 FF Annotated Anodyne COc1cc([C@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@H]2CO)ccc1O ZINC000040894338 FF Annotated Reactive C=C1C(=O)O[C@@H]2C[C@@H]1CC[C@](C)(O)[C@H](O)CC/C(C)=C/CC[C@@]2(C)O ZINC000040894522 FF Annotated Mild CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3ccccn3)n2n1 ZINC000040895506 FF Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cccnc3)n2n1 ZINC000040896886 FF Annotated Anodyne CN1CCC=C([C@@H]2CN(C(=S)Nc3ccccc3Cl)CCO2)C1 ZINC000040896992 FF Annotated Anodyne CN1CCC=C([C@H]2CN(C(=S)Nc3ccccc3Cl)CCO2)C1 ZINC000040896995 FF Annotated Anodyne COc1ccc2nc(Nc3nc4cc(N)cc(C)c4c(=O)[nH]3)nc(C)c2c1 ZINC000040897382 FF Annotated Anodyne CCCCN1N=C(C(=O)c2cc(Cl)ccc2N)C[C@H]1C(=O)OCC ZINC000040897891 FF Annotated Anodyne CCCCN1N=C(C(=O)c2cc(Cl)ccc2N)C[C@@H]1C(=O)OCC ZINC000040897894 FF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)NC[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2 ZINC000040899736 FF Annotated Bother O=[N+]([O-])c1cn2c(n1)NC[C@H](OCc1ccc(OC(F)(F)F)cc1)C2 ZINC000040899739 FF Annotated Bother O=[N+]([O-])c1cc2n(n1)C[C@@H](OCc1ccc(OC(F)(F)F)cc1)CO2 ZINC000040899742 FF Annotated Bother O=[N+]([O-])c1cc2n(n1)C[C@H](OCc1ccc(OC(F)(F)F)cc1)CO2 ZINC000040899745 FF Annotated Bother CNc1ccc2c(=O)[nH]c(Nc3nc(C)c4cc(OC)ccc4n3)nc2c1 ZINC000040900720 FF Annotated Anodyne CC(=O)/C(=C/N1CCN(C(=O)c2ccco2)C1=S)C(=O)c1ccccc1 ZINC000040901358 FF Annotated Mild O=C([C@@H]1CCc2c(Cl)cc(OCc3ccncc3)c(=O)n21)N1CCCC1 ZINC000040917100 FF Annotated Anodyne CCOC(=O)C1=NO[C@H](c2ccc(N3CCN(CC4CC4)CC3)cc2)C1 ZINC000040917468 FF Annotated Anodyne CCOC(=O)C1=NO[C@@H](c2ccc(N3CCN(CC4CC4)CC3)cc2)C1 ZINC000040917470 FF Annotated Anodyne CC(=O)Nc1ccc(Cc2noc(CCC(=O)Nc3cccnc3)n2)cc1 ZINC000040917708 FF Annotated Anodyne O=C([C@@H]1CCc2ccc(OCc3cc(F)ccc3F)c(=O)n21)N1CCCC1 ZINC000040917890 FF Annotated Anodyne COc1cc(/C=N/O)c(-c2cc3c(cc2/C=N/O)OCO3)c(OC)c1OC ZINC000040918528 FF Annotated Mild Cc1ccc2c(c1)/C(=N/NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(=O)N2C ZINC000040918550 FF Annotated Mild CCOc1cc(O)c(C(=O)/C=C/c2ccccn2)cc1CN1CCOCC1 ZINC000040918584 FF Annotated Mild O=C1CN(S(=O)(=O)c2cccc3cccnc23)c2cc(F)ccc2N1 ZINC000040918719 FF Annotated Anodyne NC1=NC(=O)/C(=C2\CCNC(=O)c3[nH]c4c(sc5ccccc54)c32)S1 ZINC000040919061 FF Annotated Clean Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)Cn3cc(C#N)c(N)n3)C[C@@H]1O2 ZINC000040919140 FF Annotated Mild Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)Cn3cc(C#N)c(N)n3)C[C@@H]1O2 ZINC000040919141 FF Annotated Mild CN1C[C@H](OCc2ccc(OC(F)(F)F)cc2)Cn2nc([N+](=O)[O-])cc21 ZINC000040933399 FF Annotated Bother CN1C[C@@H](OCc2ccc(OC(F)(F)F)cc2)Cn2nc([N+](=O)[O-])cc21 ZINC000040933401 FF Annotated Bother C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C(OC)=C1\CCOC1=O ZINC000040934856 FF Annotated Mild Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)COc3nccc(N)n3)C[C@@H]1O2 ZINC000040936220 FF Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)COc3nccc(N)n3)C[C@@H]1O2 ZINC000040936221 FF Annotated Anodyne COc1ccc2nc(Nc3nc(=O)c4cccc(OC)c4[nH]3)nc(C)c2c1 ZINC000040936749 FF Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1cc(F)ccc1F ZINC000040938127 FF Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1c(F)cccc1F ZINC000040938129 FF Annotated Anodyne COc1cc(C2=NCCN2)ccc1-c1cc2cc(C3=NCCN3)ccc2o1 ZINC000040938166 FF Annotated Anodyne C[C@H]1[C@H](C)C[C@H]2C(=O)C=C3OCO[C@]34Oc3cc5c(cc3[C@H]1[C@@H]24)OCO5 ZINC000040938225 FF Annotated Mild O=C1OC2(CCN(c3nc4cc5c(cc4[nH]3)OCO5)CC2)c2ccccc21 ZINC000040938619 FF Annotated Anodyne COc1ccc(C2=NCCN2)cc1-c1cc2cc(C3=NCCN3)ccc2o1 ZINC000040939661 FF Annotated Anodyne CCn1cc(C(=O)NC)c(=O)c2cc(F)c3[nH]c(-c4ccco4)nc3c21 ZINC000040940551 FF Annotated Anodyne Cc1c(/N=C2\O[C@H](C(F)(F)F)[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl ZINC000040943002 FF Annotated Mild Cc1ccc2c(c1)[n+]([O-])c(C#N)c(-c1ccc(OC(F)(F)F)cc1)[n+]2[O-] ZINC000040949522 FF Annotated Mild O=[N+]([O-])c1cnc2n1C[C@H](OCc1ccc(OC(F)(F)F)cc1)CO2 ZINC000040950030 FF Annotated Bother COc1nc([N+](=O)[O-])cn1CCOCc1ccc(OC(F)(F)F)cc1 ZINC000040950611 FF Annotated Bother O=C1C[C@H]2O[C@H](c3ccsc3)C3=C(C(=O)c4ccccc4C3=O)[C@H]2O1 ZINC000040950836 FF Annotated Mild CC(C)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O ZINC000040951578 FF Annotated Anodyne C[C@@H]1NC(c2cnccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 ZINC000040952284 FF Annotated Anodyne CC1=C(CO)C2=CC(=O)c3c(c(O)c4oc(C)cc4c3O)[C@@]2(C)CC1=O ZINC000040952988 FF Annotated Mild O=C1C[C@H]2O[C@@H](c3ccc(O)cc3)C3=C(C(=O)c4ccccc4C3=O)[C@H]2O1 ZINC000040953177 FF Annotated Mild CCOCCOC(=O)c1c(C(C)C)nn(-c2ccc([N+](=O)[O-])cc2)c1N ZINC000040954143 FF Annotated Bother CNc1ccc/c(=N/S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)[nH]1 ZINC000040955329 FF Annotated Mild COC(=O)c1c(C)nc(C)c2c1C(=O)C=C(Nc1ccc(F)cc1)C2=O ZINC000040972454 FF Annotated Mild COc1cc(C(=O)c2c(N)sc3c2CCN(C)C3)cc(OC)c1OC ZINC000040972831 FF Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2c1C(=O)C=C(Sc1ccccc1)C2=O ZINC000040973604 FF Annotated Mild Cc1nc2c(N[C@H]3c4ccccc4C[C@@H]3O)cc(-n3cncn3)cn2c1C ZINC000040974431 FF Annotated Anodyne COC1=C(OC)C(=O)[C@]23C(=C1)C[C@@H](C)[C@@]2(C)[C@@H](O)c1cc2c(cc13)OCO2 ZINC000040974620 FF Annotated Mild CC(=O)O[C@@H](c1ccc(C)cc1)[C@H](OC(C)=O)c1ncc([N+](=O)[O-])n1C ZINC000040975145 FF Annotated Bother CC(=O)O[C@H](c1ccc(C)cc1)[C@H](OC(C)=O)c1ncc([N+](=O)[O-])n1C ZINC000040975147 FF Annotated Bother CC(=O)O[C@@H](c1ccc(C)cc1)[C@@H](OC(C)=O)c1ncc([N+](=O)[O-])n1C ZINC000040975149 FF Annotated Bother CC(=O)O[C@@H](c1ncc([N+](=O)[O-])n1C)[C@H](OC(C)=O)c1ccc(C)cc1 ZINC000040975151 FF Annotated Bother NC12CC3(CCC(=O)O)CC(CCC(=O)O)(C1)CC(CCC(=O)O)(C2)C3 ZINC000040975368 FF Annotated Anodyne C=C1C(=O)[C@@]23C[C@H](OC(C)=O)[C@@H]4C(C)(C)CC[C@H](O)[C@@]4(C)C2=C[C@@H](O)[C@@H]1C3 ZINC000040975970 FF Annotated Mild C=CCC[C@@]1(S(=O)(=O)c2ccccc2)C(=O)O[C@H](CCC)[C@H]1CCO ZINC000040976600 FF Annotated Mild CCCCC(=O)N(C)CCc1cnc(N2CCN(CCC)CC2)s1 ZINC000040977053 FF Annotated Anodyne COc1ccc(-c2cc(-c3ccnc(N(C)C)c3)nc(=O)[nH]2)c(OC)c1 ZINC000040977427 FF Annotated Anodyne CCOC(=O)c1cnn(C[C@@H](O)CC)c1NC(=O)Nc1ccccc1F ZINC000040979217 FF Annotated Anodyne CCOC(=O)c1cnn(C[C@H](O)CC)c1NC(=O)Nc1ccccc1F ZINC000040979219 FF Annotated Anodyne COc1cccc2oc3cc4c(c(O)c3c(=O)c12)[C@@H]1C[C@@H](O)C[C@](C)(O4)O1 ZINC000040979616 FF Annotated Bother in-vitro CCOC(=O)c1cnn(C[C@@H](O)CC)c1NC(=O)Nc1ccc(F)cc1 ZINC000040980744 FF Annotated Anodyne CCOC(=O)c1cnn(C[C@H](O)CC)c1NC(=O)Nc1ccc(F)cc1 ZINC000040980746 FF Annotated Anodyne CC(C)C1=C(O)C(=O)[C@@]23O[C@@]2(C(=O)C(O)=C2C(C)(C)CCC[C@@]23C)C1=O ZINC000042876735 FF Annotated Mild in-vitro biogenic O[C@@H](CO/N=C(\Cl)c1nc2ccc(F)cc2o1)CN1CCCCC1 ZINC000042921264 FF Annotated Mild O[C@H](CO/N=C(\Cl)c1nc2ccc(F)cc2o1)CN1CCCCC1 ZINC000042921266 FF Annotated Mild O[C@@H](CO/N=C(/c1nc2ccccc2o1)C(F)(F)F)CN1CCCCC1 ZINC000042922629 FF Annotated Mild O[C@H](CO/N=C(/c1nc2ccccc2o1)C(F)(F)F)CN1CCCCC1 ZINC000042922632 FF Annotated Mild COc1ccc2occ(CSC(=S)N3CCOCC3)c(=O)c2c1 ZINC000042966824 FF Annotated Anodyne CNC[C@@H](O)[C@H](c1ccccc1)n1c(=O)n(C(C)C)c2cccc(F)c21 ZINC000043009520 FF Annotated Anodyne O[C@@H](CO/N=C(\Cl)c1nc2cccc(F)c2o1)CN1CCCCC1 ZINC000043011743 FF Annotated Mild O[C@H](CO/N=C(\Cl)c1nc2cccc(F)c2o1)CN1CCCCC1 ZINC000043011745 FF Annotated Mild O[C@@H](CO/N=C(\Cl)c1nc2cc(F)ccc2o1)CN1CCCCC1 ZINC000043013874 FF Annotated Mild O[C@H](CO/N=C(\Cl)c1nc2cc(F)ccc2o1)CN1CCCCC1 ZINC000043013877 FF Annotated Mild O=c1[nH]cnc2c1cnn2-c1ncnc2sc3c(c12)-c1ccccc1CC3 ZINC000043015295 FF Annotated Anodyne COc1ccc(N2CCN(Cc3c(C)nc4cc(C)nc(C)n34)CC2)cc1 ZINC000043017060 FF Annotated Clean O[C@@H](CO/N=C(\Cl)c1nc2c(F)cccc2o1)CN1CCCCC1 ZINC000043018502 FF Annotated Mild O[C@H](CO/N=C(\Cl)c1nc2c(F)cccc2o1)CN1CCCCC1 ZINC000043018505 FF Annotated Mild CCCn1c(=O)n([C@@H](c2ccccc2)[C@H](O)CNC)c2cc(F)ccc21 ZINC000043020761 FF Annotated Anodyne O[C@@H](CO/N=C(\Cl)c1nc2ccccc2o1)CN1CCC(F)(F)CC1 ZINC000043021495 FF Annotated Mild O[C@H](CO/N=C(\Cl)c1nc2ccccc2o1)CN1CCC(F)(F)CC1 ZINC000043021497 FF Annotated Mild Nc1c(C(=O)c2ccc(F)cc2F)cc[n+]([O-])c1-c1cccc2c1OCO2 ZINC000043024828 FF Annotated Anodyne N#Cc1ccc(N2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000043025755 FF Annotated Mild O=C(/C=C/c1c(F)cccc1F)[C@@H]1CN[C@H](Cc2ccc(F)cc2)CN1 ZINC000043058958 FF Annotated Mild O=C(/C=C/c1c(F)cccc1F)[C@H]1CN[C@H](Cc2ccc(F)cc2)CN1 ZINC000043058959 FF Annotated Mild O=C(/C=C/c1c(F)cccc1F)[C@@H]1CN[C@@H](Cc2ccc(F)cc2)CN1 ZINC000043058961 FF Annotated Mild O=C(/C=C/c1c(F)cccc1F)[C@H]1CN[C@@H](Cc2ccc(F)cc2)CN1 ZINC000043058963 FF Annotated Mild O[C@@H](CO/N=C(\Cl)c1nc2ccccc2o1)CN1CCC[C@H](F)C1 ZINC000043060290 FF Annotated Mild O[C@H](CO/N=C(\Cl)c1nc2ccccc2o1)CN1CCC[C@H](F)C1 ZINC000043060293 FF Annotated Mild CNC(=S)Nc1ccc(NS(C)(=O)=O)c(Oc2ccccc2)c1 ZINC000043061107 FF Annotated Anodyne C[N+](C)(C)CCNC(=O)c1cnc2c3c(cccc13)-c1ccccc1C2=O ZINC000043062837 FF Annotated Bother O[C@@H](CO/N=C(\Cl)c1nc2ccccc2o1)CN1CCC(F)CC1 ZINC000043062991 FF Annotated Mild O[C@H](CO/N=C(\Cl)c1nc2ccccc2o1)CN1CCC(F)CC1 ZINC000043062996 FF Annotated Mild C#CCOc1ccc(CCNC(=O)[C@H](O)c2ccc(Cl)cc2)cc1OC ZINC000043065507 FF Annotated Mild C#CCOc1ccc(CCNC(=O)[C@@H](O)c2ccc(Cl)cc2)cc1OC ZINC000043065511 FF Annotated Mild COc1cc(N[C@@H](C)CCCNC(=O)NCCCO)c2ncccc2c1 ZINC000043067465 FF Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)NCCCO)c2ncccc2c1 ZINC000043067468 FF Annotated Anodyne Cc1cccc2nc(-c3cccnc3N3CCC(C(=O)O)CC3)oc(=O)c12 ZINC000043067661 FF Annotated Anodyne CCc1c(COC(=O)NC)c(COC(=O)NC)c2n1-c1ccccc1C2 ZINC000043071260 FF Annotated Anodyne O=C1c2ccc(O)c(O)c2C(=O)N1Cc1c(F)c(F)c(F)c(F)c1F ZINC000043075097 FF Annotated Clean Cc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O)N(C)CC2 ZINC000043076504 FF Annotated Anodyne O=C1c2ccc(O)c(O)c2C(=O)N1Cc1ccc(F)c(Br)c1 ZINC000043077144 FF Annotated Clean CO/N=C1/C(=O)N(Cc2nc3ccccc3n2CCCC#N)c2ncccc21 ZINC000043077716 FF Annotated Mild CCc1ccccc1-c1cccc2c1cc(C(=O)NC[C@H](N)C(=O)O)n2C ZINC000043077741 FF Annotated Anodyne CCc1ccccc1-c1cccc2c1cc(C(=O)NC[C@@H](N)C(=O)O)n2C ZINC000043077744 FF Annotated Anodyne O=C1/C(=N/O)c2ccncc2N1Cc1nc2ccccc2n1CCCCF ZINC000043078386 FF Annotated Mild CCc1cccc2nc(-c3cccnc3N3CCN(C)CC3)oc(=O)c12 ZINC000043078600 FF Annotated Anodyne CNC[C@@H](O)[C@H](c1ccccc1)n1c(=O)n(C(C)(C)C)c2ccccc21 ZINC000043120047 FF Annotated Anodyne C=Cn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccnc1 ZINC000043121253 FF Annotated Clean CNC[C@@H](O)[C@H](c1ccccc1)n1c(=O)n(C2CCC2)c2ccccc21 ZINC000043122726 FF Annotated Anodyne CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(OC)nc2)c1 ZINC000043128445 FF Annotated Anodyne CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(-c2ccc(F)nc2)cc1 ZINC000043171599 FF Annotated Anodyne CC(C)S(=O)(=O)N[C@@H]1COC[C@@H]1c1ccc(-c2cncc(F)c2)cc1 ZINC000043171606 FF Annotated Anodyne CN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2)CC1 ZINC000043196748 FF Annotated Anodyne C[C@H](CC(F)(F)F)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 ZINC000043197583 FF Annotated Anodyne O=C(O)CCCCC(=O)O[C@]12CCCC[C@H]1[C@@H]1CCCC[C@@]1(O)OO2 ZINC000043226472 FF Annotated Reactive O=[N+]([O-])C1=Cc2ccccc2O[C@H]1Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000043260259 FF Annotated Bother O=[N+]([O-])C1=Cc2ccccc2O[C@@H]1Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000043260263 FF Annotated Bother O=[P@]1(N(CCCl)CCCl)N[C@H](OO)C[C@@H](c2cccnc2)O1 ZINC000043328096 FF Annotated Reactive O=C(Nc1cn(-c2cccc(C(F)(F)F)c2)cn1)ON1C(=O)CCC1=O ZINC000043504494 FF Annotated Mild COC(=O)[C@H](C#N)C1=C(Sc2cccc(F)c2)C(=O)C(C)=C(C)C1=O ZINC000043523718 FF Annotated Mild COC(=O)[C@@H](C#N)C1=C(Sc2cccc(F)c2)C(=O)C(C)=C(C)C1=O ZINC000043523721 FF Annotated Mild CC(C)CCOC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000043561783 FF Annotated Anodyne O=C(O)CNCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000043569681 FF Annotated Reactive CS(=O)(=O)c1ccc(CC2CCC3(CC2)OOCCCOO3)cc1 ZINC000043617352 FF Annotated Reactive CCCOC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@@H]13)O2 ZINC000043726995 FF Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@@H]13)O2 ZINC000043726996 FF Annotated Anodyne O=[N+]([O-])C1=Cc2ccccc2O[C@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000043799449 FF Annotated Bother O=[N+]([O-])C1=Cc2ccccc2O[C@@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000043799452 FF Annotated Bother CCOC(=O)c1cc(C[N+](C)(CCCl)CCCl)c([N+](=O)[O-])n1C ZINC000043871905 FF Annotated Reactive CC1(C)C(=O)C(C#N)=C[C@]2(C)C3=CC(=O)C(C#N)=C[C@]3(C#CC#N)CC[C@@H]12 ZINC000044031782 FF Annotated Reactive C[C@@H](C(=O)Nc1ncco1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 ZINC000044086920 FF Annotated Unstable C/C=C(/C)C(=O)O[C@H]1C[C@@H](O)C2=CC(=O)C(C(C)(C)OO)=C[C@]2(C)[C@H]1C ZINC000044351279 FF Annotated Reactive C=CCNC(=O)[C@@H]1c2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O ZINC000044459664 FF Annotated Mild C=CCNC(=O)[C@H]1c2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O ZINC000044459665 FF Annotated Mild CN(C)C(=O)[C@@H]1c2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O ZINC000044459670 FF Annotated Anodyne CN(C)C(=O)[C@H]1c2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O ZINC000044459671 FF Annotated Anodyne CCCNC(=O)[C@@H]1c2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O ZINC000044459674 FF Annotated Anodyne CCCNC(=O)[C@H]1c2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O ZINC000044459675 FF Annotated Anodyne C=C(Cl)COC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)n1nnc2ccccc21 ZINC000004539339 FF Annotated Mild C=C(Cl)COC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)n1nnc2ccccc21 ZINC000004539341 FF Annotated Mild COc1cc2c(cc1OC)[C@@H](C(=O)O)[C@@H](c1ccccc1F)N(C)C2=O ZINC000004563245 FF Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)O)[C@H](c1ccccc1F)N(C)C2=O ZINC000004563247 FF Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)O)[C@@H](c1ccccc1F)N(C)C2=O ZINC000004563248 FF Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)O)[C@H](c1ccccc1F)N(C)C2=O ZINC000004563249 FF Annotated Anodyne COc1ccc(NC(=O)C2=NN(c3ccc(OC)cc3)C(=O)CC2)cc1 ZINC000004563368 FF Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NCCC(C)C)[C@H]1CCCCN1C2=O ZINC000004563921 FF Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NCCC(C)C)[C@H]1CCCCN1C2=O ZINC000004563922 FF Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NCCC(C)C)[C@@H]1CCCCN1C2=O ZINC000004563923 FF Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NCCC(C)C)[C@@H]1CCCCN1C2=O ZINC000004563925 FF Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCCC[C@H]12 ZINC000004563968 FF Annotated Anodyne CC[C@H](C)NC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCCC[C@H]12 ZINC000004563971 FF Annotated Anodyne O=[N+]([O-])c1cc(N[C@H]2C[C@H](O)[C@H](O)CO2)cc(Sc2ccccc2)c1 ZINC000004571268 FF Annotated Bother O=[N+]([O-])c1cc(N[C@H]2C[C@@H](O)[C@H](O)CO2)cc(Sc2ccccc2)c1 ZINC000004571278 FF Annotated Bother CN(CCC#N)C(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12 ZINC000004602894 FF Annotated Mild C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCCCSC ZINC000004612155 FF Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCCSC)N(C(=O)c2ccco2)C1 ZINC000004612158 FF Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCSC)N(C(=O)c2ccco2)C1 ZINC000004612160 FF Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)c2ccco2)C1 ZINC000004612162 FF Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)c2ccco2)C1 ZINC000004612164 FF Annotated Anodyne CCCCCCC[C@H](CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000004646294 FF Annotated Mild Cc1cccc(N2CCN(C(=O)CN3CCOc4ccccc43)C[C@@H]2C)c1 ZINC000004683202 FF Annotated Anodyne Cc1nn(C)c(C)c1Nc1ccc(N2C(=O)C[C@@H](C)C2=O)cc1[N+](=O)[O-] ZINC000004684391 FF Annotated Anodyne Cc1ccccc1N1C(=O)c2cc([S@](=O)ON)c(Cl)cc2N[C@@H]1C ZINC000004689157 FF Annotated Mild C=CCn1c(O)c(/N=N/C(=O)CNC(=O)c2ccncc2)c2ccccc21 ZINC000004821907 FF Annotated Mild COc1ccc(-c2cn(S(=O)(=O)Cc3ccccc3)nc2N)c(OC)c1 ZINC000004851127 FF Annotated Anodyne CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C ZINC000004866194 FF Annotated Reactive in-vitro Clc1ccc2nc(N3CCN(c4ccccn4)CC3)c3nncn3c2c1 ZINC000004885516 FF Annotated Anodyne Cc1ccc2nc(N3CCN(c4cccc(C)c4C)CC3)c3nnnn3c2c1 ZINC000004885569 FF Annotated Anodyne COc1ccc2c(c1)c1nc(SCC(C)C)n(CCO)c(=O)c1n2C ZINC000004909378 FF Annotated Anodyne aggregator COc1cc(NC(=O)CN2C[C@H](c3ccccc3)CC2=O)cc(OC)c1 ZINC000004924498 FF Annotated Anodyne COc1cc(NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)cc(OC)c1 ZINC000004924506 FF Annotated Anodyne Cc1cccc(CN2CCN(CC(=O)N3CCc4ccccc4C3)C2=O)c1 ZINC000004930773 FF Annotated Anodyne Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)N1CCOCC1 ZINC000004935378 FF Annotated Anodyne CCn1c(=O)c2cc(C(=O)NCC(OC)OC)sc2c2ccccc21 ZINC000004939222 FF Annotated Anodyne O=C1Nc2ccccc2[C@](O)(C(=O)N2CCCCC2)N1c1ccccc1 ZINC000004949599 FF Annotated Anodyne O=C1Nc2ccccc2[C@@](O)(C(=O)N2CCCCC2)N1c1ccccc1 ZINC000004949602 FF Annotated Anodyne Cc1ccc2nc(Cl)c3cc(C(=O)NC4=NC(=O)CN4C)sc3c2c1 ZINC000004961652 FF Annotated Anodyne Cc1cccc2cc(C#N)c(NCCNS(=O)(=O)c3ccccc3)nc12 ZINC000004964375 FF Annotated Mild CCC/C(=N\NC(=O)Cc1csc(N2CCOCC2)n1)c1ccccc1 ZINC000004964887 FF Annotated Reactive CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)ccc21 ZINC000004969137 FF Annotated Anodyne CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)ccc21 ZINC000004969139 FF Annotated Anodyne CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)ccc21 ZINC000004969141 FF Annotated Anodyne CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3CCCC[C@H]3C)ccc21 ZINC000004969143 FF Annotated Anodyne CCC(=O)N1CCc2cc(S(=O)(=O)N(C)c3ccc(OC)cc3)ccc21 ZINC000004969236 FF Annotated Anodyne Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)o2)c1 ZINC000004969507 FF Annotated Anodyne Cc1ccccc1NC(=O)NC1(C(=O)N2CCC(O)CC2)CCCCC1 ZINC000004981868 FF Annotated Anodyne CC(=O)C1=C(O)C(=O)N(CCC(=O)O)[C@@H]1c1ccc(Cl)cc1Cl ZINC000004993166 FF Annotated Mild CC(=O)C1=C(O)C(=O)N(CCC(=O)O)[C@H]1c1ccc(Cl)cc1Cl ZINC000004993168 FF Annotated Mild CC1(C)NC(N)=NC(=N)N1OCOc1cc(Cl)c(Cl)cc1Cl ZINC000045167830 FF Annotated Anodyne NC(N)=NC(=O)Nc1cc(Br)c(Cl)c(Br)c1 ZINC000045188895 FF Annotated Mild NC(=O)c1cc2nc(NC3CCC3)nc(Nc3cccc4[nH]ncc34)c2[nH]1 ZINC000045190356 FF Annotated Anodyne CC1(C)NC(N)=NC(=N)N1OCCSc1ccc(Cl)c(Cl)c1 ZINC000045201354 FF Annotated Anodyne O=C(c1ccc(O)c(-c2cc(Cl)cc(Cl)c2)c1)N(CCO)CCO ZINC000045227281 FF Annotated Anodyne COc1cc(C/N=C(\S)N/N=C(\C)c2ccccn2)cc(OC)c1OC ZINC000045229817 FF Annotated Mild CC(=O)Oc1ccc(C(=O)Oc2ccccc2C#CC#N)cc1OC(C)=O ZINC000045230575 FF Annotated Mild C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OS(=O)(=O)O)c1ccnc2ccccc12 ZINC000045230686 FF Annotated Mild CCNC(=O)Nc1cn2c(-c3ncccn3)cc(-c3cccnc3)cc2n1 ZINC000045245072 FF Annotated Anodyne COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(OC)c([N+](=O)[O-])c3)O2)cc1 ZINC000045245135 FF Annotated Bother COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(OC)c([N+](=O)[O-])c3)O2)cc1 ZINC000045245136 FF Annotated Bother Fc1ccc2c(c1)nc(N1CCN(Cc3c[nH]cn3)CC1)c1cccn12 ZINC000045245703 FF Annotated Anodyne O=C1N[C@H](c2ccccc2)NC2=C1[C@@H]1CCCN1C(=O)N2c1ccccc1 ZINC000045254468 FF Annotated Anodyne O=C1N[C@@H](c2ccccc2)NC2=C1[C@@H]1CCCN1C(=O)N2c1ccccc1 ZINC000045254470 FF Annotated Anodyne O=C1N[C@H](c2ccccc2)NC2=C1[C@H]1CCCN1C(=O)N2c1ccccc1 ZINC000045254472 FF Annotated Anodyne O=C1N[C@@H](c2ccccc2)NC2=C1[C@H]1CCCN1C(=O)N2c1ccccc1 ZINC000045254474 FF Annotated Anodyne COc1ccc(-n2cc(C(=O)c3ccc(OC)cc3O)ccc2=O)cc1 ZINC000045255381 FF Annotated Anodyne COc1ccc(C2=NN(C(C)=O)[C@H](c3cc(OC)ccc3OC)O2)cc1 ZINC000045255679 FF Annotated Anodyne COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc(OC)ccc3OC)O2)cc1 ZINC000045255681 FF Annotated Anodyne Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)c2nonc2C)c1 ZINC000045255873 FF Annotated Anodyne Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)c2nonc2C)c1 ZINC000045255877 FF Annotated Anodyne NC1=NC(=S)N=C(N)C1=NNc1ccc(/N=N/c2ccccc2)cc1 ZINC000045256425 FF Annotated Mild CCc1nn(CCO)c(NC(N)=O)c1Cc1cc(Cl)cc(Cl)c1 ZINC000045257203 FF Annotated Anodyne COCC/C(=C\C1=C(Br)C(=O)c2ccccc2C1=O)C(=O)O ZINC000045258133 FF Annotated Mild C#C[C@@H]1C[C@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000045258888 FF Annotated Mild C#C[C@H]1C[C@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000045258891 FF Annotated Mild Cc1c(C#N)c(/N=C/Nc2ccc(S(N)(=O)=O)cc2)nc2c1CCCC2 ZINC000045261958 FF Annotated Mild COCCn1c(S)nnc1-c1c[nH]c2c(C(F)(F)F)cccc2c1=O ZINC000045284244 FF Annotated Anodyne CN(CCN)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 ZINC000045284423 FF Annotated Anodyne c1ccc2c(-n3nnc4c5sc(C6=NCCN6)nc5ccc43)ccnc2c1 ZINC000045285043 FF Annotated Anodyne CC(=O)N1N=C(Nc2nc3ccc([N+](=O)[O-])cc3s2)C[C@H]1OC1=CC=C1 ZINC000045285667 FF Annotated Bother CC(=O)N1N=C(Nc2nc3ccc([N+](=O)[O-])cc3s2)C[C@@H]1OC1=CC=C1 ZINC000045285669 FF Annotated Bother CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000045286487 FF Annotated Anodyne CNC[C@@H](Cc1ccc(O)cc1)N1CCN(CC[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000045286489 FF Annotated Anodyne c1ccc2nc(-n3nnc4c5sc(C6=NCCN6)nc5ccc43)ccc2c1 ZINC000045287320 FF Annotated Anodyne Cc1ccc(-c2ccnc(N(C)c3ccc(S(N)(=O)=O)cc3)n2)s1 ZINC000045287618 FF Annotated Anodyne CC(=O)c1ccc2c(n1)c(S(=O)(=O)c1ccccc1)cn2CCN(C)C ZINC000045287636 FF Annotated Anodyne N#Cc1ccc(/N=c2\c(C#N)c3n(c(=O)n2-c2ccccc2)CCC3)cc1 ZINC000045288477 FF Annotated Mild N#CC1=C(N)N2C(=O)CSC2=C(C#N)[C@@H]1c1ccc(Br)cc1 ZINC000045288664 FF Annotated Reactive N#CC1=C(N)N2C(=O)CSC2=C(C#N)[C@H]1c1ccc(Br)cc1 ZINC000045288667 FF Annotated Reactive Cn1c(CCCCCCCCCCCCc2noc(=O)n2C)noc1=O ZINC000045288834 FF Annotated Anodyne CCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3cncnc3)cc2n1 ZINC000045291076 FF Annotated Anodyne O[C@@H](c1ccc2c(c1)OCO2)[C@H]1COC[C@@H]1Cc1ccc2c(c1)OCO2 ZINC000045298462 FF Annotated Anodyne CCOC(=O)C1=C(NCc2ccccc2)N=C(c2ccccc2)N2CCN=C12 ZINC000045299973 FF Annotated Anodyne COc1cc(OC[C@@H]2COC(=O)O2)cc2c1c(=O)c1ccccc1n2C ZINC000045300754 FF Annotated Bother COc1cc(OC[C@H]2COC(=O)O2)cc2c1c(=O)c1ccccc1n2C ZINC000045300756 FF Annotated Bother COC(=O)/C(=C/c1ccc(OC)cc1)Cn1nnnc1-c1ccccc1 ZINC000045302900 FF Annotated Anodyne CC1(C)NC(=N)NC(=N)N1OCCCOc1cc(Cl)cc(Cl)c1 ZINC000045303013 FF Annotated Anodyne O=C(NCc1ccccc1[S@@](=O)c1ccccc1CO)C(F)(F)F ZINC000045303064 FF Annotated Anodyne O=C(NCc1ccccc1[S@](=O)c1ccccc1CO)C(F)(F)F ZINC000045303065 FF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cc(-c3ccc(F)cc3)no1)C2 ZINC000045303342 FF Annotated Bother CC(=O)N1C/C(=N\NC(=O)[C@H](C)Nc2c(C)cccc2C)c2ccccc21 ZINC000045316926 FF Annotated Reactive CC(=O)N1C/C(=N\NC(=O)[C@@H](C)Nc2c(C)cccc2C)c2ccccc21 ZINC000045316930 FF Annotated Reactive CNC[C@H](Cc1ccc(O)cc1)N1CCN(CC[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000045321356 FF Annotated Anodyne CNC[C@H](Cc1ccc(O)cc1)N1CCN(CC[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000045321359 FF Annotated Anodyne CC(C)[C@]12O[C@H]1C[C@@H]1[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3CC[C@@]1(O)[C@H]2O ZINC000045337149 FF Annotated Anodyne CC(C)[C@]12O[C@H]1C[C@H]1[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3CC[C@@]1(O)[C@H]2O ZINC000045337151 FF Annotated Anodyne COc1ccc([C@@H]2Oc3c(O)cc(/C=C/C=O)cc3[C@H]2CO)cc1OC ZINC000045337257 FF Annotated Reactive CC[C@@H](C)[C@H](NC(=O)c1ccc(OC)cc1)C(=O)N/N=C/c1ccco1 ZINC000045338561 FF Annotated Reactive CC[C@H](C)[C@H](NC(=O)c1ccc(OC)cc1)C(=O)N/N=C/c1ccco1 ZINC000045338563 FF Annotated Reactive Nc1nc(NCCc2ccccc2)nc2c1[N+]([O-])=C(c1ccccc1)C2=O ZINC000045340313 FF Annotated Anodyne COc1ccc(C(=O)/C=C/N2CCC(O)(c3ccc(O)cc3)CC2)c(O)c1 ZINC000045347706 FF Annotated Mild O=C1NC(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N1 ZINC000045350414 FF Annotated Bother CC[C@]1(O)c2ccccc2Oc2cc(C(=O)N3CCN(C)CC3)ccc21 ZINC000045358204 FF Annotated Anodyne CC[C@@]1(O)c2ccccc2Oc2cc(C(=O)N3CCN(C)CC3)ccc21 ZINC000045358206 FF Annotated Anodyne OCCNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000045364678 FF Annotated Anodyne OCCNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000045364681 FF Annotated Anodyne O=P(O)(O)COc1ccc(-c2cncnc2)c2c1-c1ncsc1C2 ZINC000045366070 FF Annotated Anodyne CC(=O)N(C1=C(N(C)C)C(=O)c2ccccc2C1=O)c1cccc(O)c1 ZINC000045366736 FF Annotated Mild CC(=O)Nc1ccc(/C=N/NC(=O)c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000045366887 FF Annotated Reactive CC[C@]1(O)c2ccc(C(=O)N3CCN(C)CC3)cc2Oc2ccc(F)cc21 ZINC000045367581 FF Annotated Anodyne CC[C@@]1(O)c2ccc(C(=O)N3CCN(C)CC3)cc2Oc2ccc(F)cc21 ZINC000045367584 FF Annotated Anodyne Cc1ccccc1CC(C)(C)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 ZINC000045370141 FF Annotated Anodyne Cc1ccccc1CC(C)(C)NC[C@@H](O)c1cc(O)cc2c1OCC(=O)N2 ZINC000045370146 FF Annotated Anodyne Nc1nc(N2CCN(C(=O)C3CCCCC3)CC2)c2cc(F)sc2n1 ZINC000045374773 FF Annotated Anodyne Cn1c(=O)n(C)c2cc(/C=N/N=c3/[nH]cc(-c4ccccc4)s3)ccc21 ZINC000045375183 FF Annotated Mild N#Cc1c(F)c(F)c(C(C(=O)c2ccccc2)=C2NCCN2)c(C#N)c1F ZINC000045384606 FF Annotated Mild CCOC(=O)c1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1Cl ZINC000045386759 FF Annotated Clean C[C@@]12CC[C@@H]3[C@@](C/C1=N\O)(C2)[C@@H](O)C[C@H]1[C@@]3(C)[C@@H](O)CC[C@@]1(C)C(=O)O ZINC000045387367 FF Annotated Mild CC(=O)C(=C1NCCN1)c1c(Cl)c(Cl)c(C#N)c(Cl)c1C#N ZINC000045388021 FF Annotated Mild CC(C)[C@]12CC[C@@]3(O1)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC[C@]3(O)[C@H]2O ZINC000045388214 FF Annotated Anodyne CC(=O)Nc1ccc(/C=N/NC(=O)c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000045389352 FF Annotated Reactive O=C1C(N2CCOCC2)=NN(c2ccccc2)CN1c1ccccc1Cl ZINC000045390800 FF Annotated Anodyne O=S1(=O)CCN(c2ccc(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000045392285 FF Annotated Anodyne O=C1CNC(=S)N1N=C1C[C@@H](c2ccccc2)N[C@@H](c2ccccc2)C1 ZINC000045392741 FF Annotated Mild O=C1CNC(=S)N1N=C1C[C@H](c2ccccc2)N[C@@H](c2ccccc2)C1 ZINC000045392745 FF Annotated Mild O=C1CNC(=S)N1N=C1C[C@@H](c2ccccc2)N[C@H](c2ccccc2)C1 ZINC000045392749 FF Annotated Mild CCc1c(C(=O)NCc2ncccc2C)nc(N)nc1-c1ccc(C)o1 ZINC000045393421 FF Annotated Anodyne Cc1cc(/C=C(/C#N)C(=O)NNC(=O)c2cccnc2)c(C)n1CC(C)C ZINC000045479635 FF Annotated Reactive O=C(Nc1ccon1)N1CCN(c2nc(-c3ccccc3)ns2)CC1 ZINC000045495792 FF Annotated Anodyne C/C(=N\NC(=S)NCc1ccccc1)c1c(O)ccc2ccc(=O)oc12 ZINC000045496601 FF Annotated Mild Cc1cc(F)ccc1[C@H]1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)C[C@@H]1O ZINC000045496649 FF Annotated Anodyne Cc1ccc(-c2c(S(=O)(=O)c3ccccc3)cnc3ncnn23)cc1 ZINC000045496845 FF Annotated Anodyne Cc1ccccc1[C@H]1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)C[C@@H]1O ZINC000045498036 FF Annotated Anodyne O=c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)[nH]1 ZINC000045505701 FF Annotated Anodyne CCN(CC)[N+](=O)NOCOC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000471915181 FF Annotated Anodyne CCN(CC)[N+](=O)NOCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000471915182 FF Annotated Anodyne Cc1cc2c(c3oc([C@]4(C)CO4)cc(=O)c13)C(=O)c1c(O)cccc1C2=O ZINC000473082373 FF Annotated Clean Cc1cc2c(c3oc([C@@]4(C)CO4)cc(=O)c13)C(=O)c1c(O)cccc1C2=O ZINC000473082376 FF Annotated Clean N=c1nc(-c2cn(CN3C(=O)c4ccccc4C3=O)c3ccccc23)cc[nH]1 ZINC000473083570 FF Annotated Anodyne CC(=O)NCC1=Cc2cc(Br)ccc2O[C@@]1(O)C(F)(F)F ZINC000473087634 FF Annotated Anodyne CC(=O)NCC1=Cc2cc(Br)ccc2O[C@]1(O)C(F)(F)F ZINC000473087635 FF Annotated Anodyne O=C1NC(N2CCNCC2)=N/C1=C\c1c2ccccc2cc2ccccc12 ZINC000473090522 FF Annotated Bother C[C@@H]1CN(c2ccc(F)cn2)C(=O)c2cc(COc3ccc(F)cn3)nn21 ZINC000473101583 FF Annotated Anodyne C[C@@H]1CN(c2ccccn2)C(=O)c2cc(COc3ccc(F)cn3)nn21 ZINC000473105317 FF Annotated Anodyne C[C@@H]1CN(c2cccnc2)C(=O)c2cc(COc3ccc(F)cn3)nn21 ZINC000473105942 FF Annotated Anodyne O=C(c1ccc(F)cc1)N1CCc2nc(COc3cccnc3)oc2C1 ZINC000473106302 FF Annotated Anodyne C[C@@H]1CN(c2ccncc2)C(=O)c2cc(COc3ccc(F)cn3)nn21 ZINC000473106886 FF Annotated Anodyne Cc1cc2ccnc(N[C@@H]3CCNC[C@H]3OCC3CCCC3)c2nc1O ZINC000473108252 FF Annotated Anodyne COc1ccc2c(c1)CCCN2c1nc(=NCCCO)[nH]c2ccccc12 ZINC000473108875 FF Annotated Anodyne COc1cc(CCNCc2cccnc2O)c(OC)cc1Br ZINC000473109159 FF Annotated Anodyne CCN1C(=O)N(CC)C2(CCN(Cc3cc(Cl)ccc3O)CC2)C1=O ZINC000473109164 FF Annotated Clean CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3ccccn3)CC2)C1=O ZINC000473111416 FF Annotated Anodyne O=C1c2cccnc2C(=O)c2c1c(C(=O)N1CCCCC1)c1ccccn21 ZINC000473111608 FF Annotated Clean COc1ccc(C(=O)N=c2nc3nc(C)cc(-c4ccccc4)n3[nH]2)cc1 ZINC000473113304 FF Annotated Anodyne COC(=O)[C@H](C)CCC[C@](C)(O)CCC1=C(C)C(=O)[C@]2(C)O[C@@]2(C)C1=O ZINC000473114092 FF Annotated Mild COC(=O)[C@H](C)CCC[C@](C)(O)CCC1=C(C)C(=O)[C@@]2(C)O[C@]2(C)C1=O ZINC000473114095 FF Annotated Mild COC(=O)[C@H](C)CCC[C@](C)(O)CCC1=C(C)C(=O)[C@]2(C)O[C@]2(C)C1=O ZINC000473114097 FF Annotated Mild COC(=O)[C@H](C)CCC[C@](C)(O)CCC1=C(C)C(=O)[C@@]2(C)O[C@@]2(C)C1=O ZINC000473117807 FF Annotated Mild COC(=O)[C@H](C)CCC[C@]1(C)CC[C@]2(O1)C(=O)C(C)=C(C)[C@@]2(O)C(C)=O ZINC000473118734 FF Annotated Mild COC(=O)[C@@H](C)CCC[C@]1(C)CC[C@]2(O1)C(=O)C(C)=C(C)[C@@]2(O)C(C)=O ZINC000473118736 FF Annotated Mild O=c1c2ccc(F)cc2ncn1CCCCCCn1cnc([N+](=O)[O-])c1 ZINC000473119915 FF Annotated Bother COc1ccc(C(=O)N=c2nc3nc(-c4ccccc4)cc(C)n3[nH]2)cc1 ZINC000473120743 FF Annotated Anodyne O=C(CSc1n[nH]c(-c2ccccc2C(=O)O)n1)Nc1ccccc1 ZINC000473121640 FF Annotated Anodyne O=C(CSc1n[nH]c(-c2ccccc2C(=O)O)n1)NCc1ccccc1 ZINC000473122509 FF Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@@H]3C[C@H](C4=CC(=O)O[C@H]4O)O[C@@]3(CO)CC[C@H]12 ZINC000473123125 FF Annotated Anodyne CC1=C[C@H](c2ccccc2)N2NC(NC(=O)CCc3ccccc3)=NC2=N1 ZINC000473128117 FF Annotated Anodyne CC1=C[C@@H](c2ccccc2)N2NC(NC(=O)CCc3ccccc3)=NC2=N1 ZINC000473128118 FF Annotated Anodyne Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3(C)C)n1 ZINC000473128570 FF Annotated Anodyne C/C=C\C[C@H](C)C[C@H](C)/C(O)=C1/C(=O)N[C@@H]([C@@H](O)c2ccc(O)cc2)C1=O ZINC000473129849 FF Annotated Mild C=C1C(=O)[C@@]23CC[C@H]([C@](C)(O)CO)[C@@](C)(CCC(=O)O)[C@@H]2CC[C@H]1C3 ZINC000473133097 FF Annotated Mild C=C1C(=O)[C@@]23CC[C@H]([C@@](C)(O)CO)[C@@](C)(CCC(=O)O)[C@@H]2CC[C@H]1C3 ZINC000473133098 FF Annotated Mild CN1C(=O)C(c2ccc(CO)cc2)=C(c2ccccc2)C12C=CC(=O)C=C2 ZINC000473133402 FF Annotated Mild O=[N+]([O-])c1ccc(CSc2nnnn2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000473135592 FF Annotated Bother N=C1N[C@]23CC[C@@H](NC(=O)c4cccc(Cl)c4)C[C@]2(COC3)CS1 ZINC000473136102 FF Annotated Anodyne N=C1N[C@]23CC[C@H](NC(=O)c4cccc(Cl)c4)C[C@@]2(COC3)CS1 ZINC000473136103 FF Annotated Anodyne N=C1N[C@]23CC[C@@H](NC(=O)c4cccc(Cl)c4)C[C@@]2(COC3)CS1 ZINC000473136104 FF Annotated Anodyne CC(C)(O)[C@H]1Cc2c(ccc3c2O/C(=C\c2ccc(O)c(O)c2)C3=O)O1 ZINC000473136328 FF Annotated Mild CC1=C(C(N)=O)[C@H](c2ccco2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473137223 FF Annotated Anodyne CC1=C(C(N)=O)[C@@H](c2ccco2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473137224 FF Annotated Anodyne CNC(=O)[C@@H]1Cc2cc(F)ccc2N1C(=O)COc1ccc(Cl)cc1 ZINC000473137228 FF Annotated Anodyne CNC(=O)[C@H]1Cc2cc(F)ccc2N1C(=O)COc1ccc(Cl)cc1 ZINC000473137229 FF Annotated Anodyne CN(C)S(=O)(=O)NCCCN1c2ccccc2CCc2ccccc21 ZINC000473137703 FF Annotated Anodyne O=C1c2ccccc2C(=O)c2c1nnn2Cc1ccc(Br)cc1 ZINC000473145568 FF Annotated Clean O=C1c2ccccc2C(=O)c2c1nnn2Cc1cccc(Br)c1 ZINC000473149191 FF Annotated Clean CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(OC)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000473150207 FF Annotated Anodyne CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(OC)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000473150208 FF Annotated Anodyne Cc1cc(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)cc2c[nH]nc12 ZINC000473150842 FF Annotated Anodyne CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(C)cc2)[C@]12C(=O)N(C)c1ccccc12 ZINC000473151277 FF Annotated Anodyne CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(C)cc2)[C@@]12C(=O)N(C)c1ccccc12 ZINC000473151278 FF Annotated Anodyne Cc1nc2c(C)n(C)nc2c(=Nc2cnn(Cc3ccccc3F)c2)[nH]1 ZINC000473152139 FF Annotated Anodyne O=C(Nc1ccccc1O)c1c(NCCO)cc(-c2ccccc2)oc1=O ZINC000473153323 FF Annotated Anodyne CN1CCN(c2nc(/C=C/c3ccc(Cl)c(Cl)c3)nc(=N)[nH]2)CC1 ZINC000473154072 FF Annotated Anodyne CC(C)[C@@]12CC[C@@](C)(O1)[C@@H]1CC[C@@](C)(O1)[C@@H](O)C[C@@H]1O[C@@]1(C)[C@H](O)C2 ZINC000473154262 FF Annotated Anodyne CS(=O)(=O)O[C@@H]1Cn2cc(C=O)c3ccc4c5ccccc5n(c4c32)C1 ZINC000473154443 FF Annotated Mild CS(=O)(=O)O[C@H]1Cn2cc(C=O)c3ccc4c5ccccc5n(c4c32)C1 ZINC000473154444 FF Annotated Mild O=C(C1=Cc2cc(Br)ccc2S1(=O)=O)N1CCCCC1 ZINC000473154648 FF Annotated Anodyne C[C@@H](Oc1cc2oc(=O)n(CCC(=O)O)c2cc1Cl)c1cccnn1 ZINC000473154938 FF Annotated Anodyne C[C@H]1CCCCN1C(=O)C1=Cc2cc(Br)ccc2S1(=O)=O ZINC000473155026 FF Annotated Anodyne C[C@@H]1CCCCN1C(=O)C1=Cc2cc(Br)ccc2S1(=O)=O ZINC000473155027 FF Annotated Anodyne CN1CCC(Cn2cnc(C(O)(c3ccccc3)c3ccccc3)n2)CC1 ZINC000473155037 FF Annotated Anodyne C[C@H]1CCCN(C(=O)C2=Cc3cc(Br)ccc3S2(=O)=O)C1 ZINC000473157268 FF Annotated Anodyne C[C@@H]1CCCN(C(=O)C2=Cc3cc(Br)ccc3S2(=O)=O)C1 ZINC000473157269 FF Annotated Anodyne CC(C)(C)c1nc(-c2ccc(C(=O)O)s2)c2c(N)c(C#N)c(=N)nc-2[nH]1 ZINC000473158366 FF Annotated Mild C/C1=C\[C@@H](O)C[C@@]2(C)O[C@@H]2C[C@]2(C(C)C)CC[C@@](C)(O2)[C@H](O)CC1=O ZINC000473160489 FF Annotated Mild COc1nc(-c2cccc([N+](=O)[O-])c2)nc(=NCCc2ccc(F)cc2)[nH]1 ZINC000473162601 FF Annotated Bother CC#CC(=O)Nc1sc(=Nc2ccc3ccccc3c2)[nH]c1C(N)=O ZINC000473164836 FF Annotated Mild NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)C1CC1 ZINC000473165196 FF Annotated Anodyne Cn1cnc2cc(CNc3nccc(=Nc4cc(C5CC5)[nH]n4)[nH]3)ccc21 ZINC000473165278 FF Annotated Anodyne O=C(NCCCN=c1[nH]c2ccncc2[nH]1)c1cc(Cl)cc(Cl)c1 ZINC000473166034 FF Annotated Anodyne CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN([C@@H]13)[C@H]2CO ZINC000473168002 FF Annotated Anodyne CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN([C@@H]2CO)[C@@H]13 ZINC000473168003 FF Annotated Anodyne CC(C)c1cc(=Nc2nc(N3CCC(N)CC3)nc3ccsc23)[nH][nH]1 ZINC000473168856 FF Annotated Anodyne O=C(NCCCN=c1[nH]c2cccnc2[nH]1)c1cc(Cl)cc(Cl)c1 ZINC000473169264 FF Annotated Anodyne Cn1cnc2ccc(CNc3nccc(=Nc4cc(C5CC5)[nH]n4)[nH]3)cc21 ZINC000473169802 FF Annotated Anodyne C/C=C1/CN2[C@H]3C[C@H]1[C@]1(C(=O)OC)C[C@]4(C[C@@H]21)c1ccccc1N(C)[C@H]34 ZINC000473170063 FF Annotated Anodyne C/C=C1/CN2[C@H]3C[C@H]1[C@@]1(C(=O)OC)C[C@]4(C[C@@H]21)c1ccccc1N(C)[C@H]34 ZINC000473170074 FF Annotated Anodyne N=C(N)NC(=O)N1CCc2c(F)ccc(-c3ncc(Cl)cc3F)c2C1 ZINC000473170655 FF Annotated Anodyne NC1CCN(c2nc(N=c3cc(C4CCC4)[nH][nH]3)c3sccc3n2)CC1 ZINC000473172823 FF Annotated Anodyne CC[C@H](C)[C@@H](C(=O)N/N=C\c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000473172833 FF Annotated Reactive Cc1ccc(N(C)C)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccccn2)C3)n1 ZINC000473180333 FF Annotated Anodyne N=C1N[C@](CF)(c2cc(-c3cncc(F)c3)c(CO)cc2F)[C@@H]2C[C@H]2O1 ZINC000473194451 FF Annotated Anodyne N=C1N[C@](CF)(c2cc(-c3cncc(F)c3)c(CO)cc2F)[C@@H]2C[C@@H]2O1 ZINC000473194452 FF Annotated Anodyne O=[N+]([O-])c1cc([N+](=O)[O-])c2no[n+]([O-])c2c1Nc1nc2ccccc2s1 ZINC000473243912 FF Annotated Bother C[C@@H]1COc2c(CN3CCCCC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000473244559 FF Annotated Anodyne C[C@H]1COc2c(CN3CCCCC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000473244561 FF Annotated Anodyne CCCCc1cc(=O)n2[nH]c(=NCc3ccc(Cl)cc3)c(C#N)c2[nH]1 ZINC000473247220 FF Annotated Mild CC(C)Cc1cc(=O)n2[nH]c(=NCc3ccc(Cl)cc3)c(C#N)c2[nH]1 ZINC000473247235 FF Annotated Mild CCCc1cc(=O)n2[nH]c(=NCCc3ccc(Cl)cc3)c(C#N)c2[nH]1 ZINC000473247917 FF Annotated Mild CCCc1cc(=O)n2[nH]c(=NCc3ccc(Cl)c(F)c3)c(C#N)c2[nH]1 ZINC000473247965 FF Annotated Mild CCCc1cc(=O)n2[nH]c(=NCc3ccc(Cl)cc3F)c(C#N)c2[nH]1 ZINC000473248721 FF Annotated Mild CCCc1cc(=O)n2[nH]c(=NCc3ccc(Cl)c(C)c3)c(C#N)c2[nH]1 ZINC000473249657 FF Annotated Mild CCCc1cc(=O)n2[nH]c(=NCc3ccc(Cl)cc3OC)c(C#N)c2[nH]1 ZINC000473249666 FF Annotated Mild CCCc1cc(=O)n2nc(C(=O)Nc3ccc(Cl)cc3)c(C#N)c2[nH]1 ZINC000473249904 FF Annotated Mild O=c1c2ccccc2n(CCO)c2nc3c(cc12)ncn3-c1ccccc1 ZINC000474605861 FF Annotated Bother Nc1ccc2[nH]c(=Nc3ccc(O)cc3)c(=Nc3ccc(O)cc3)[nH]c2c1 ZINC000474606210 FF Annotated Anodyne CCn1ncc2c(C)cc(-c3ccc([C@@]4(C)CCNC4=O)c(O)n3)cc21 ZINC000474607161 FF Annotated Anodyne COc1cc(C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000474607990 FF Annotated Bother C=CC(=O)Nc1ccccc1N=c1[nH]c(NC2CCOCC2)ncc1C ZINC000474609327 FF Annotated Anodyne C=CC(=O)Nc1ccccc1N=c1[nH]c(Nc2ccnn2C)ncc1Cl ZINC000474609900 FF Annotated Anodyne O=C(Cn1ccnc1)N1CCC(n2cc(-c3cccc(Cl)c3)nn2)CC1 ZINC000048187729 FF Annotated Anodyne CS(=O)(=O)Cc1cccc(/C(O)=N/C[C@H](O)c2cccc(Cl)c2)c1 ZINC000048235284 FF Annotated Anodyne CS(=O)(=O)Cc1cccc(/C(O)=N/C[C@@H](O)c2cccc(Cl)c2)c1 ZINC000048235285 FF Annotated Anodyne Cc1csc2ncnc(N3CCC(Cn4cc(C(C)(C)N)nn4)CC3)c12 ZINC000048501651 FF Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@@]1(CO[C@H](O)C1)O2 ZINC000048998260 FF Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@]1(CO[C@@H](O)C1)O2 ZINC000048998556 FF Annotated Anodyne CC(C)Oc1ccc(S(=O)(=O)Cc2ccc3c(c2)CCNCC3)cn1 ZINC000049014025 FF Annotated Anodyne CC(C)COc1ccc(S(=O)(=O)Cc2ccc3c(c2)CCNCC3)cn1 ZINC000049014028 FF Annotated Anodyne NC(=O)c1cc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)no1 ZINC000049033122 FF Annotated Anodyne COCc1nc2n(n1)Cc1c(C)ncn1-c1ccc(Br)cc1-2 ZINC000049033979 FF Annotated Anodyne C[C@@H]1C[C@H](O)[C@]2(C)[C@H](CCC[C@]23CO3)[C@@]1(C)CC/C(=C\C(=O)O)CO ZINC000049034294 FF Annotated Anodyne CC[C@@H]1c2cn[nH]c2C(=O)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000049035056 FF Annotated Anodyne CC[C@H]1c2cn[nH]c2C(=O)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000049035058 FF Annotated Anodyne CC(=O)c1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccc(C#N)cc12 ZINC000049035182 FF Annotated Mild CNc1nn2c(C)c3c(nc2c1S(=O)(=O)c1ccccc1)CCCC3 ZINC000049035210 FF Annotated Anodyne C[C@H]1C(=O)c2[nH]ncc2[C@@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000049035480 FF Annotated Anodyne C[C@H]1C(=O)c2[nH]ncc2[C@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000049035482 FF Annotated Anodyne C[C@@H]1C(=O)c2[nH]ncc2[C@@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000049035484 FF Annotated Anodyne C[C@H]1c2cn[nH]c2C(=O)[C@@H](C)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000049035486 FF Annotated Anodyne CCCCn1c(C(=O)c2cc(C)cc(C#N)c2)c(C(C)C)c(=O)[nH]c1=O ZINC000049036309 FF Annotated Mild CCC(CC)CN1C(=O)/C(=C/C(=O)N2CCOCC2)c2cccc(F)c21 ZINC000049037085 FF Annotated Anodyne CO[C@H]1C2=C(C(=O)C(=O)C(C(C)C)=C2)[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O ZINC000049047085 FF Annotated Mild in-vitro biogenic CNc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccccc1)CCCC3 ZINC000049047851 FF Annotated Anodyne COc1ccc(C2=NNC(=O)/C2=N\Nc2cccc(Cl)c2)cc1OC ZINC000049048165 FF Annotated Mild CNCCCN1Cc2ccccc2N(c2ccc(F)c(F)c2)S1(=O)=O ZINC000049049102 FF Annotated Anodyne CCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2[C@@H]2CCCN2)n[nH]1 ZINC000049050828 FF Annotated Anodyne Nc1nc(-c2ccccc2)c2c(n1)-c1c(CN3CCOCC3)cccc1C2=O ZINC000049050894 FF Annotated Anodyne CCOP(=O)(OCC)[C@H](O)c1cc2cccc(OC)c2n2nnnc12 ZINC000049051250 FF Annotated Anodyne CCOP(=O)(OCC)[C@@H](O)c1cc2cccc(OC)c2n2nnnc12 ZINC000049051254 FF Annotated Anodyne CCOP(=O)(OCC)[C@H](O)c1cc2cc(C)ccc2n2nnnc12 ZINC000049051544 FF Annotated Anodyne CCOP(=O)(OCC)[C@@H](O)c1cc2cc(C)ccc2n2nnnc12 ZINC000049051548 FF Annotated Anodyne COc1ccc2c(c1)-c1nc(Cc3cc(C)no3)nn1Cc1c(C)ncn1-2 ZINC000049052285 FF Annotated Anodyne CCOP(=O)(OCC)[C@H](O)c1cc2cccc(C)c2n2nnnc12 ZINC000049052931 FF Annotated Anodyne CCOP(=O)(OCC)[C@@H](O)c1cc2cccc(C)c2n2nnnc12 ZINC000049052935 FF Annotated Anodyne CCOP(=O)(OCC)[C@H](O)c1cc2cc(OC)ccc2n2nnnc12 ZINC000049053251 FF Annotated Anodyne CCOP(=O)(OCC)[C@@H](O)c1cc2cc(OC)ccc2n2nnnc12 ZINC000049053255 FF Annotated Anodyne O=C(CSc1nc2ccccc2[nH]1)NN1C(=O)CS[C@H]1c1ccco1 ZINC000049053735 FF Annotated Anodyne O=C(CSc1nc2ccccc2[nH]1)NN1C(=O)CS[C@@H]1c1ccco1 ZINC000049053738 FF Annotated Anodyne CNCCCN1Cc2ccccc2N(c2ccc(OC)cc2)S1(=O)=O ZINC000049053907 FF Annotated Anodyne O=c1cc(/N=C/c2ccncc2)nc2sc3nc4ccccc4nc3n12 ZINC000049054540 FF Annotated Mild O=c1c2ccccc2[nH]c2nc3sc4nc5ccccc5nc4n3c(=O)c12 ZINC000049068288 FF Annotated Bother CC(C)=CCOc1ccc([C@@H]2C[C@@H]2C(=O)NNC(=O)c2ccncc2)cc1 ZINC000049069510 FF Annotated Reactive CC(C)=CCOc1ccc([C@H]2C[C@@H]2C(=O)NNC(=O)c2ccncc2)cc1 ZINC000049069512 FF Annotated Reactive CC(C)=CCOc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)c2ccncc2)cc1 ZINC000049069514 FF Annotated Reactive CC(C)=CCOc1ccc([C@H]2C[C@H]2C(=O)NNC(=O)c2ccncc2)cc1 ZINC000049069516 FF Annotated Reactive COCCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1 ZINC000049070338 FF Annotated Anodyne Cc1ccn(-c2ccc(Cn3cc(C(=O)O)c(=O)c4ccncc43)cc2)n1 ZINC000049070415 FF Annotated Anodyne Cc1ccnn1-c1ccc(Cn2cc(C(=O)O)c(=O)c3ccncc32)cc1 ZINC000049070417 FF Annotated Anodyne Cc1ccnn1-c1ccc(Cn2cc(C(=O)O)c(=O)c3cccnc32)cc1 ZINC000049070613 FF Annotated Anodyne Cc1cn(-c2ccc(Cn3cc(C(=O)O)c(=O)c4ccncc43)cc2)cn1 ZINC000049071826 FF Annotated Anodyne Cc1cc2c(cc1C)[n+](=O)c(C(=O)NCCc1ccccc1)c(C)n2O ZINC000049071980 FF Annotated Anodyne O=C(O)c1cn(Cc2ccc(-n3ccnc3)cc2)c2ccsc2c1=O ZINC000049072029 FF Annotated Anodyne O=C(NC(=S)/N=c1/[nH]c2cc([N+](=O)[O-])ccc2s1)c1cccs1 ZINC000049072273 FF Annotated Bother Cn1cc2c(n1)C[C@H]1CCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000049073467 FF Annotated Anodyne Cn1cc2c(n1)C[C@@H]1CCC[C@H]2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000049073469 FF Annotated Anodyne COc1ccc(CNC(=O)c2c(C)n(O)c3cc(C)c(C)cc3[n+]2=O)cc1 ZINC000049087579 FF Annotated Anodyne O=C(NC(=S)/N=c1/[nH]c2cc([N+](=O)[O-])ccc2s1)c1ccccc1 ZINC000049088141 FF Annotated Bother Cc1nn(-c2ncccn2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl ZINC000049088410 FF Annotated Anodyne CC(C)NC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(N)scc12 ZINC000049088428 FF Annotated Anodyne N/C(=N/O)c1ccc(-c2cnc(-c3ccc(/C(N)=N\O)cc3)s2)cc1 ZINC000049088567 FF Annotated Mild Nc1n[nH]c2nc3scc(-c4ccc(Br)cc4)n3c(=O)c12 ZINC000049089049 FF Annotated Anodyne NC(=O)c1ccc2c(c1)nc(NCc1ccccc1Cl)n2CCCO ZINC000049089336 FF Annotated Anodyne CN(C)CCN(C)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O ZINC000049089444 FF Annotated Anodyne COc1ccc(C2=NNC(=O)/C2=N\Nc2ccccc2Cl)cc1OC ZINC000049089610 FF Annotated Mild CCOC[C@]1(CN2CCCC2)COc2ccc3c(C)cc(=O)oc3c2C1=O ZINC000049089704 FF Annotated Anodyne CCOC[C@@]1(CN2CCCC2)COc2ccc3c(C)cc(=O)oc3c2C1=O ZINC000049089705 FF Annotated Anodyne O=S1(=O)N(CCN2CCCCCC2)CCN1c1cccc(Cl)c1 ZINC000049110670 FF Annotated Anodyne COC(=O)Nc1cccc2n1cc(-c1ccc(OC(=O)N(C)C)cc1)[n+]2C ZINC000049111156 FF Annotated Anodyne CC[C@@H]1CN2CC[C@]34c5ccccc5-n5c3c(cc(C(=O)O)c5=O)[C@H]1C[C@H]24 ZINC000049111902 FF Annotated Anodyne CCOP(=O)(OCC)[C@H](O)c1cc2ccc(C)cc2n2nnnc12 ZINC000049112161 FF Annotated Anodyne CCOP(=O)(OCC)[C@@H](O)c1cc2ccc(C)cc2n2nnnc12 ZINC000049112162 FF Annotated Anodyne O=C(OCc1ccccc1)[C@@H]1COC(c2cncc(Br)c2)=N1 ZINC000049112219 FF Annotated Anodyne CCOC(=O)c1nn(CC)c(=O)c2nn(-c3ccccc3Cl)c(C)c12 ZINC000049112588 FF Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@]1(CO[C@H](O)C1)O2 ZINC000049112602 FF Annotated Anodyne CC(C)[C@@H]1c2cn[nH]c2C(=O)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000049113464 FF Annotated Anodyne CCN(C)C(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(N)scc12 ZINC000049113634 FF Annotated Anodyne Nc1n[nH]c2nc3scc(-c4cc(Cl)c(Cl)cc4O)n3c(=O)c12 ZINC000049113882 FF Annotated Anodyne NC(=O)c1c(F)ccc(OCc2nc3cc(C(=O)O)ccc3s2)c1F ZINC000049115193 FF Annotated Anodyne COC(=O)N1C/C(=C\c2cccc(N)c2)C(=O)/C(=C/c2cccc(N)c2)C1 ZINC000049116497 FF Annotated Mild Cn1cc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4sccc43)nc2)cn1 ZINC000049125061 FF Annotated Anodyne CC(C)Nc1nccc(N(CCCCN)C(=O)c2ccc3c(c2)CCO3)n1 ZINC000049125104 FF Annotated Anodyne COCCN(C(=O)c1cnn(-c2ccccc2)c1C)c1ccc(OC)nc1 ZINC000049125287 FF Annotated Anodyne CCOP(=O)(OCC)[C@H](O)c1cc2ccc(OC)cc2n2nnnc12 ZINC000049125554 FF Annotated Anodyne CCOP(=O)(OCC)[C@@H](O)c1cc2ccc(OC)cc2n2nnnc12 ZINC000049125557 FF Annotated Anodyne O=C(O)c1cn(Cc2ccc(-n3cccn3)cc2)c2ccsc2c1=O ZINC000049125843 FF Annotated Anodyne Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CC=C(c2ccccc2)CC1 ZINC000049539862 FF Annotated Anodyne CCNC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CC2=NCCc3ccccc32)C1 ZINC000049590521 FF Annotated Anodyne COc1cc2c3c(c1)c(C1=NC(=S)NC1=O)c(O)n3C(C)(C)C=C2C ZINC000049697785 FF Annotated Anodyne C[C@@H]1CN(c2cc3c(cc2N)c(=O)c(C(=O)O)cn3C2CC2)CCS1 ZINC000049748493 FF Annotated Anodyne C[C@H]1CN(c2cc3c(cc2N)c(=O)c(C(=O)O)cn3C2CC2)CCS1 ZINC000049748494 FF Annotated Anodyne Cc1nc(NC(C)C)nc(Sc2nnc3c4ccccc4n(C)c3n2)n1 ZINC000049772270 FF Annotated Anodyne Cc1cc2oc(=O)cc(CBr)c2cc1S(=O)(=O)Cl ZINC000049777339 FF Annotated Unstable COc1cc(-c2ncnn2-c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000049784257 FF Annotated Bother O=C(O)C(C(=O)O)C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049784347 FF Annotated Reactive CN1CCN(CN2N=C(c3ccc(-c4ccccc4)cc3)CCC2=O)CC1 ZINC000049803026 FF Annotated Anodyne CC(=O)c1ccc(CNC(=O)c2c[nH]nc2-c2cc(C)c(O)cc2O)cc1 ZINC000049803751 FF Annotated Anodyne C[C@@]12CC[C@H](O)[C@@H]3COC(=C31)C(=O)c1cc3c(OCCO)cccc3cc12 ZINC000049807957 FF Annotated Mild C[C@@]12CC[C@@H](O)[C@@H]3COC(=C31)C(=O)c1cc3c(OCCO)cccc3cc12 ZINC000049808011 FF Annotated Mild COc1ccc(CNc2nc(N(C)C)nc(-c3ccco3)c2NC=O)cc1 ZINC000049808404 FF Annotated Anodyne COc1ccc(CNc2nc([N+](=O)[O-])nc(-c3ccco3)c2NC=O)cc1 ZINC000049808529 FF Annotated Bother COC1=C(OC)C(=O)C2=C(CCCC[C@H](O)CCc3ccc(O)c2c3)C1=O ZINC000049872107 FF Annotated Mild COC1=C(OC)C(=O)C2=C(CCCC[C@@H](O)CCc3ccc(O)c2c3)C1=O ZINC000049872108 FF Annotated Mild OCCN1CCN(C2=Nc3ccccc3CC=C2c2ccc(O)cc2)CC1 ZINC000049918214 FF Annotated Anodyne CCc1[nH]c(=O)n(C(=O)C(C)C)c1C(=O)c1ccc(-n2ccnc2C)cc1 ZINC000000575731 FF Annotated Anodyne O=C1NC(=O)c2c1cc1ccc3c(c1c2-c1ccc2c(c1)OCO2)OCO3 ZINC000000581005 FF Annotated Anodyne Cc1ccc(Cn2c(N)nc3c(N(C)C)nc(C(F)(F)F)nc32)cc1 ZINC000000585143 FF Annotated Anodyne COc1ccc2c(c1OC)CC[C@H](N[C@H](C)[C@@H](O)c1ccc(O)cc1)C2 ZINC000000585372 FF Annotated Anodyne investigational COc1ccc2c(c1OC)CC[C@H](N[C@@H](C)[C@H](O)c1ccc(O)cc1)C2 ZINC000000585379 FF Annotated Anodyne investigational CC(C)=CCOc1ccc(C2=N[C@@H](C(=O)NO)CO2)cc1OC(F)(F)F ZINC000000595007 FF Annotated Anodyne Fc1ccc(OC[C@H]2CC[C@@H]3CN(c4ncc(F)cn4)CCN3C2)cc1 ZINC000000601673 FF Annotated Anodyne CCc1csc(Sc2cc3c(cc2NS(C)(=O)=O)COC3=O)n1 ZINC000000601833 FF Annotated Anodyne O=C1NS(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000000602422 FF Annotated Anodyne CCNc1nc(=O)c2cnn3c2n1CC=C3c1cccc(C(F)(F)F)c1 ZINC000000603537 FF Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2cccn2)CC1 ZINC000000603904 FF Annotated Anodyne O=C(O)CCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O ZINC000000604256 FF Annotated Anodyne CCOC1=NC(=O)[C@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 ZINC000000606678 FF Annotated Anodyne CC(C)NC1=NC(=O)[C@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 ZINC000000606680 FF Annotated Anodyne CN(C)c1ncc(C2=C(Cl)C(=O)C(N3CCCC3)=C(Cl)C2=O)s1 ZINC000000658524 FF Annotated Mild Cc1ccc(/C=N/NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1 ZINC000000672793 FF Annotated Reactive C/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 ZINC000000695625 FF Annotated Mild CC1(C)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nnnn21 ZINC000000725130 FF Annotated Anodyne Cc1nc(N2CCOCC2)c2c(C)c(C(=O)NCc3ccco3)sc2n1 ZINC000000753838 FF Annotated Anodyne CCOC(=O)c1sc2nc(CC(=O)OC)nc(NC(C)C)c2c1C ZINC000000753843 FF Annotated Anodyne COc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(O)c2)C(O)=NC1=S ZINC000000756374 FF Annotated Clean CC1(C)C[C@@H](NC[C@H]2CCCO2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758518 FF Annotated Anodyne CC1(C)C[C@H](NC[C@H]2CCCO2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758519 FF Annotated Anodyne CC1(C)C[C@@H](NC[C@@H]2CCCO2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758520 FF Annotated Anodyne CC1(C)C[C@H](NC[C@@H]2CCCO2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758521 FF Annotated Anodyne CCOC(=O)CCc1nc2nc(N3C[C@H](CC)CC[C@H]3C)ccc2[nH]c1=O ZINC000000766649 FF Annotated Anodyne O=c1[nH]c2ccc(N(CCO)Cc3ccccc3)nc2nc1-c1ccccc1 ZINC000000766694 FF Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCCC[C@@H]3CC)ccc2[nH]c1=O ZINC000000766777 FF Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCCC[C@H]3CC)ccc2[nH]c1=O ZINC000000766778 FF Annotated Anodyne C[C@H]1CN(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C[C@@H](C)O1 ZINC000000766834 FF Annotated Anodyne C[C@@H]1CN(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C[C@@H](C)O1 ZINC000000766835 FF Annotated Anodyne C[C@H]1CN(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C[C@H](C)O1 ZINC000000766836 FF Annotated Anodyne O=c1[nH]c2ccc(N3CCCC[C@H]3CCO)nc2nc1Cc1ccccc1 ZINC000000766842 FF Annotated Anodyne O=c1[nH]c2ccc(N3CCCC[C@@H]3CCO)nc2nc1Cc1ccccc1 ZINC000000766844 FF Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(c2ccc3[nH]c(=O)c(C(C)C)nc3n2)C1 ZINC000000766866 FF Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(c2ccc3[nH]c(=O)c(C(C)C)nc3n2)C1 ZINC000000766867 FF Annotated Anodyne CCOC(=O)Cc1nc2nc(N(CC(C)C)CC(C)C)ccc2[nH]c1=O ZINC000000766919 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@]2(C)CON=C2c2ccccc2)C1 ZINC000000767177 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@]2(C)CON=C2c2ccccc2)C1 ZINC000000767178 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@]2(C)CON=C2c2ccccc2)C1 ZINC000000767179 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@]2(C)CON=C2c2ccccc2)C1 ZINC000000767180 FF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N1CCOCC1 ZINC000000767212 FF Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N1CCOCC1 ZINC000000767213 FF Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 ZINC000000767232 FF Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000000767234 FF Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 ZINC000000767420 FF Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000000767422 FF Annotated Anodyne COc1cccc(CCNC(=O)[C@]2(C)CON=C2c2ccccc2)c1OC ZINC000000767454 FF Annotated Anodyne COc1cccc(CCNC(=O)[C@@]2(C)CON=C2c2ccccc2)c1OC ZINC000000767455 FF Annotated Anodyne COc1cc(CCNC(=O)[C@]2(C)CON=C2c2ccccc2)cc(OC)c1 ZINC000000767458 FF Annotated Anodyne COc1cc(CCNC(=O)[C@@]2(C)CON=C2c2ccccc2)cc(OC)c1 ZINC000000767459 FF Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1 ZINC000000768576 FF Annotated Anodyne C[C@@]1(C(=O)N[C@H](CO)Cc2ccccc2)CON=C1c1ccc(Cl)cc1 ZINC000000768758 FF Annotated Anodyne C[C@]1(C(=O)N[C@H](CO)Cc2ccccc2)CON=C1c1ccc(Cl)cc1 ZINC000000768759 FF Annotated Anodyne C[C@@]1(C(=O)N[C@@H](CO)Cc2ccccc2)CON=C1c1ccc(Cl)cc1 ZINC000000768760 FF Annotated Anodyne C[C@]1(C(=O)N[C@@H](CO)Cc2ccccc2)CON=C1c1ccc(Cl)cc1 ZINC000000768761 FF Annotated Anodyne O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1)N1CCOCC1 ZINC000000768783 FF Annotated Anodyne O=C([C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1)N1CCOCC1 ZINC000000768785 FF Annotated Anodyne CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NCCc2ccc(F)cc2)cc1 ZINC000000769525 FF Annotated Anodyne CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NCCc2ccc(F)cc2)cc1 ZINC000000769526 FF Annotated Anodyne CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NCCc2ccccc2F)cc1 ZINC000000770244 FF Annotated Anodyne CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NCCc2ccccc2F)cc1 ZINC000000770245 FF Annotated Anodyne COc1ccccc1CNC(=O)[C@]1(C)CON=C1c1ccc(N(C)C)cc1 ZINC000000770248 FF Annotated Anodyne COc1ccccc1CNC(=O)[C@@]1(C)CON=C1c1ccc(N(C)C)cc1 ZINC000000770249 FF Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N(C)C ZINC000000770345 FF Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N(C)C ZINC000000770347 FF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NC[C@H](O)CC ZINC000000770468 FF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N1CCOCC1 ZINC000000770893 FF Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)N1CCOCC1 ZINC000000770894 FF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)N1CCOCC1 ZINC000000770895 FF Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N1CCOCC1 ZINC000000770896 FF Annotated Anodyne CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NCc1ccccc1N ZINC000000771731 FF Annotated Anodyne CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)NCc1ccccc1N ZINC000000771732 FF Annotated Anodyne CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NC[C@H](O)c1ccccc1 ZINC000000771739 FF Annotated Anodyne CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)NC[C@H](O)c1ccccc1 ZINC000000771740 FF Annotated Anodyne CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NC[C@@H](O)c1ccccc1 ZINC000000771741 FF Annotated Anodyne CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)NC[C@@H](O)c1ccccc1 ZINC000000771742 FF Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000000772052 FF Annotated Anodyne O=C([C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1)N1CCOCC1 ZINC000000772256 FF Annotated Anodyne O=C([C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1)N1CCOCC1 ZINC000000772258 FF Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N(C)C)c(OC)c1 ZINC000000772920 FF Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N(C)C)c(OC)c1 ZINC000000772922 FF Annotated Anodyne CC(C)c1ccc(-c2onc(C(C)(C)C)c2C(=O)NC[C@H](O)CO)cc1 ZINC000000776272 FF Annotated Anodyne CC(C)c1ccc(-c2onc(C(C)(C)C)c2C(=O)NC[C@@H](O)CO)cc1 ZINC000000776273 FF Annotated Anodyne CC(C)(C)c1noc(-c2cccc3ccccc23)c1C(=O)NC[C@H](O)CO ZINC000000776294 FF Annotated Anodyne CC(C)(C)c1noc(-c2cccc3ccccc23)c1C(=O)NC[C@@H](O)CO ZINC000000776295 FF Annotated Anodyne CC(C)(C)c1noc(-c2ccc(F)cc2Cl)c1C(=O)NC[C@H](O)CO ZINC000000776315 FF Annotated Anodyne CC(C)(C)c1noc(-c2ccc(F)cc2Cl)c1C(=O)NC[C@@H](O)CO ZINC000000776316 FF Annotated Anodyne CC(C)(C)c1noc(-c2ccc(Cl)cc2F)c1C(=O)NC[C@H](O)CO ZINC000000776342 FF Annotated Anodyne CC(C)(C)c1noc(-c2ccc(Cl)cc2F)c1C(=O)NC[C@@H](O)CO ZINC000000776343 FF Annotated Anodyne CC(C)(C)c1noc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](O)CO ZINC000000777254 FF Annotated Anodyne CC(C)(C)c1noc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](O)CO ZINC000000777255 FF Annotated Anodyne CC(C)Nc1nc(S[C@@H](C)C(=O)Nc2ccccc2)nc(N(C)C)n1 ZINC000000804847 FF Annotated Anodyne CC(C)Nc1nc(S[C@H](C)C(=O)Nc2ccccc2)nc(N(C)C)n1 ZINC000000804848 FF Annotated Anodyne COc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(C)cc3)CC2=O)cc1 ZINC000000826001 FF Annotated Reactive COc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(C)cc3)CC2=O)cc1 ZINC000000826003 FF Annotated Reactive Cc1csc(Sc2cc3c(cc2NS(C)(=O)=O)COC3=O)n1 ZINC000000838822 FF Annotated Anodyne CC(C)S(=O)(=O)n1c(N)nc2ccc(C(=O)c3cccc(F)c3)cc21 ZINC000000839060 FF Annotated Anodyne Cn1cc(C(=O)N/N=C/C(Br)=C/c2ccccc2)ccc1=O ZINC000000855472 FF Annotated Reactive COc1cc(C(=O)Nc2cc(C)cc(C)c2)c(-n2cnnn2)cc1OC ZINC000000924360 FF Annotated Anodyne COc1cc2cc(C)c(SCC(=O)N3CCOCC3)nc2cc1OC ZINC000000928290 FF Annotated Anodyne COc1ccc2ccccc2c1[C@@H]1C(C(N)=O)=C(C)N=C2SCC(=O)N21 ZINC000000970891 FF Annotated Anodyne COc1ccc2ccccc2c1[C@H]1C(C(N)=O)=C(C)N=C2SCC(=O)N21 ZINC000000970892 FF Annotated Anodyne Cn1c2ccccc2c2nnc(SCC(=O)NCc3ccoc3)nc21 ZINC000000971084 FF Annotated Anodyne O=C1N=C(O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1 ZINC000000973031 FF Annotated Clean COc1ccc2oc(=O)c(-c3ccccc3C(=O)N3CCOCC3)cc2c1 ZINC000000975690 FF Annotated Anodyne O=C(CNC(=O)c1cc2ccccc2o1)Nc1ccc2c(c1)OCCO2 ZINC000005013239 FF Annotated Anodyne CCn1c(SCC(=O)O)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000005019446 FF Annotated Anodyne CCc1ccc(OCC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)cc1 ZINC000005019583 FF Annotated Reactive CCN1C(=O)c2ccccc2S(=O)(=O)c2ccc(C(=O)NC(C)C)cc21 ZINC000005058589 FF Annotated Anodyne Cc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cccc2cccnc12 ZINC000005067319 FF Annotated Anodyne CC[C@@H]1CCCCN1CCCNC(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000005069533 FF Annotated Anodyne aggregator CC[C@H]1CCCCN1CCCNC(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000005069535 FF Annotated Anodyne aggregator O=C1CSC(=S)N1N/C=C1\C=Nc2ccc(Br)cc21 ZINC000005080390 FF Annotated Clean C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)c1ccoc1)C[C@@]1(CO1)[C@@H]1CC=C(C)[C@H]21 ZINC000005086543 FF Annotated Mild O=c1[nH]c(SCc2cc(=O)n3cc(Cl)ccc3n2)nc2ccccc12 ZINC000005091909 FF Annotated Anodyne CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)OC)nc(O)c23)CO1 ZINC000005093113 FF Annotated Anodyne COc1ccc(NC(=O)c2sc3nc(C)[nH]c(=O)c3c2C)c(OC)c1 ZINC000005093565 FF Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2C[C@H](C)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000005126438 FF Annotated Anodyne Cc1ccc(S(=O)(=O)[C@H]2C[C@H](C)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000005126441 FF Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2C[C@@H](C)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000005126446 FF Annotated Anodyne Cc1ccc(S(=O)(=O)[C@H]2C[C@@H](C)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000005126451 FF Annotated Anodyne C/C=C1\C[N+]2(C)CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC ZINC000005132713 FF Annotated Bother COc1ccc(C2=NN(CC(=O)Nc3ccccc3C)C(=O)CC2)cc1 ZINC000005135828 FF Annotated Anodyne COc1ccc(N2C(=O)C[C@@H](Sc3nc(C)ccc3C#N)C2=O)cc1 ZINC000005137553 FF Annotated Mild CCN(CC)C[C@H](O)CNc1ncc(C)c2c1c1cc(O)ccc1n2C ZINC000005139347 FF Annotated Anodyne CCN(CC)C[C@@H](O)CNc1ncc(C)c2c1c1cc(O)ccc1n2C ZINC000005139351 FF Annotated Anodyne Cc1cccc(C)c1NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000005152356 FF Annotated Anodyne CCOC(=O)[C@](NC(=O)CC)(C(F)(F)F)P(=O)(OCC)OCC ZINC000005296828 FF Annotated Anodyne CN1c2ccccc2N[C@H]2ON=C(c3ccc(Br)cc3)N[C@@H]21 ZINC000005334797 FF Annotated Anodyne CN1c2ccccc2N[C@@H]2ON=C(c3ccc(Br)cc3)N[C@@H]21 ZINC000005334807 FF Annotated Anodyne CC(=O)N1C/C(=N/NC(=O)[C@H](C)Nc2c(C)cccc2C)c2ccccc21 ZINC000005390603 FF Annotated Reactive CC(=O)N1C/C(=N/NC(=O)[C@@H](C)Nc2c(C)cccc2C)c2ccccc21 ZINC000005390606 FF Annotated Reactive C/C(=N/NC(=O)c1ccc(C(=O)N/N=C(/C)c2ccco2)o1)c1ccco1 ZINC000005408022 FF Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(c1nc[nH]n1)C(N)=C(C#N)[C@H]2c1cccs1 ZINC000005408209 FF Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(c1nc[nH]n1)C(N)=C(C#N)[C@@H]2c1cccs1 ZINC000005408224 FF Annotated Reactive Cc1cc(/C=N/Nc2nc(N)ncc2[N+](=O)[O-])c(C)n1-c1ccccc1F ZINC000005447213 FF Annotated Mild Cc1cn2c(N)c(C=C3C=C(Cl)C(=O)C(Cl)=C3)c(=O)nc2s1 ZINC000005447749 FF Annotated Mild COc1ccc([C@H](C[N+](=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000005488199 FF Annotated Bother COc1cccc([C@H](C[N+](=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)c1 ZINC000005488215 FF Annotated Bother COc1ccc([C@@H](C[N+](=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000005488223 FF Annotated Bother COc1cccc([C@@H](C[N+](=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)c1 ZINC000005488234 FF Annotated Bother CC1=CC(=O)[C@@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000005497565 FF Annotated Mild in-vitro biogenic CCOC(=O)[C@H](C)c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 ZINC000507041374 FF Annotated Anodyne CCOC(=O)[C@@H](C)c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 ZINC000507041375 FF Annotated Anodyne C[C@H]1CC[C@@]23C(=O)O[C@@H](C[C@H]2[C@]12C[C@@H](c1ccoc1)OC2=O)[C@@H]1O[C@]13C ZINC000523041547 FF Annotated Anodyne C[C@H]1CC[C@@]23C(=O)O[C@@H](C[C@@H]2[C@]12C[C@@H](c1ccoc1)OC2=O)[C@@H]1O[C@]13C ZINC000523041549 FF Annotated Anodyne C[C@H]1CC[C@@]23C(=O)O[C@@H](C[C@@H]2[C@]12C[C@@H](c1ccoc1)OC2=O)[C@H]1O[C@]13C ZINC000523041550 FF Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC[C@@H](O)[C@]3(C)C[C@@H](OC(=O)c3ccoc3)[C@@H]12 ZINC000523041971 FF Annotated Mild C=C1C(=O)O[C@H]2[C@H](OC(=O)[C@@H](C)CC)[C@](C)(O)CCC[C@H](C)C(=O)C[C@H]12 ZINC000523042150 FF Annotated Mild O=C1Nc2cccc(C3CCNCC3)c2/C1=C/c1[nH]cc2c1CCOC2=O ZINC000052969405 FF Annotated Anodyne COCC[C@@H](C(=O)Oc1c(OC)cccc1OC)N1CCCCCC1 ZINC000052969593 FF Annotated Anodyne O=C(O)C1=CN(C2CC2)[C@H]2C(=CC(F)=C(CNc3ccccc3)[C@H]2F)C1=O ZINC000053006515 FF Annotated Mild O=C(O)C1=CN(C2CC2)[C@@H]2C(=CC(F)=C(CNc3ccccc3)[C@H]2F)C1=O ZINC000053006516 FF Annotated Mild O=C(O)C1=CN(C2CC2)[C@H]2C(=CC(F)=C(CNc3ccccc3)[C@@H]2F)C1=O ZINC000053006517 FF Annotated Mild O=C(O)C1=CN(C2CC2)[C@@H]2C(=CC(F)=C(CNc3ccccc3)[C@@H]2F)C1=O ZINC000053006519 FF Annotated Mild Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1C ZINC000053026328 FF Annotated Bother Cc1ccc(C(=O)C[C@H](C(=O)c2ccc(C)cc2)C2C(N)=NN=C2N)cc1 ZINC000053122832 FF Annotated Anodyne Cc1ccc(C(=O)C[C@@H](C(=O)c2ccc(C)cc2)C2C(N)=NN=C2N)cc1 ZINC000053122833 FF Annotated Anodyne Cc1nc(N2CCN(CC[C@@H]3NC(=O)c4ccccc43)CC2)sc1C ZINC000053150616 FF Annotated Anodyne Cn1/c(=N/NC(=O)c2ccco2)sc2cc(OC(F)(F)F)ccc21 ZINC000053193462 FF Annotated Reactive C=C1C(=O)[C@@]2(C(=O)Nc3ccc(Br)cc3F)C=CC(=O)[C@@H]1C2 ZINC000053243135 FF Annotated Mild CONC(=O)O[C@H](c1ccccc1)c1cccc([C@H](C)C(=O)NOC)c1 ZINC000053243948 FF Annotated Anodyne CONC(=O)O[C@H](c1ccccc1)c1cccc([C@@H](C)C(=O)NOC)c1 ZINC000053243949 FF Annotated Anodyne CONC(=O)O[C@@H](c1ccccc1)c1cccc([C@H](C)C(=O)NOC)c1 ZINC000053243951 FF Annotated Anodyne CONC(=O)O[C@@H](c1ccccc1)c1cccc([C@@H](C)C(=O)NOC)c1 ZINC000053243953 FF Annotated Anodyne CCN(CC)c1ccc(N/N=C2\C(=O)NN=C2c2ccc(OC)cc2)cc1 ZINC000053271408 FF Annotated Mild CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12 ZINC000053276549 FF Annotated Anodyne CCN(CC)CC1(CN(CC)CC)Oc2cc(OC)cc(OC)c2C1=O ZINC000053295168 FF Annotated Anodyne CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3cnn(C)c3)sc12 ZINC000053295668 FF Annotated Anodyne N#CC1=C(N)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 ZINC000053296314 FF Annotated Reactive N#CC1=C(N)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 ZINC000053296317 FF Annotated Reactive N#CC1=C(N)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 ZINC000053296321 FF Annotated Reactive N#CC1=C(N)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 ZINC000053296323 FF Annotated Reactive CCc1c(C)c(C(N)=O)c2nc3ccccc3n2c1NCCN(C)CC ZINC000053297372 FF Annotated Anodyne CCCN1C(=O)c2ccc(OC(=O)CCc3ccc(N)cc3)cc2C1=O ZINC000053299142 FF Annotated Clean CN1C(=O)c2ccc(OC(=O)CCc3ccc(N(C)C)cc3)cc2C1=O ZINC000053314223 FF Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1C[C@@H]([C@@]1(C)CCC(=O)O1)O[C@H]2[C@H](C)CCCC(C)=O ZINC000005500310 FF Annotated Mild COc1cc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)c(OC)cc1Cl ZINC000005512114 FF Annotated Anodyne COc1cc2c(c(OC)c1OC)C(=O)c1c(O)cc(C)c(OC)c1C2=O ZINC000005537441 FF Annotated Clean C=C1C(=O)O[C@@H]2[C@H]1C[C@@H]1O[C@H]2[C@H](C)CCC[C@]2(C)O[C@H]2CC[C@@]1(C)O ZINC000005540180 FF Annotated Mild O=C1OC[C@@H]2Cc3cc4c(cc3[C@H](c3ccc5c(c3)OCO5)[C@@H]12)OCO4 ZINC000005541502 FF Annotated Anodyne CC1(C)CC(=O)c2[nH]c3ccccc3c2CC(=O)NCCc2cn1cn2 ZINC000005544694 FF Annotated Anodyne C/N=c1\scc(C)n1/N=C/c1cc(Br)c(O)c(OC)c1 ZINC000005560188 FF Annotated Mild S=C(NCCc1ccccn1)N/N=C(\c1ccccc1)c1ccccn1 ZINC000005581187 FF Annotated Mild S=C(N/N=C\c1ccccn1)N(Cc1ccccn1)Cc1ccccn1 ZINC000005581201 FF Annotated Mild N#Cc1nc2ccccc2nc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005582405 FF Annotated Mild O=[N+]([O-])C(/C(Cl)=C(/Cl)N1CCOCC1)=C1\Nc2ccccc2O1 ZINC000005582433 FF Annotated Anodyne Cc1cc(C)c2c(=O)n(CN3C[C@H]4Nc5ccccc5[C@@H]4C3)sc2n1 ZINC000005596698 FF Annotated Anodyne CC(=O)Nc1ccc(C(=O)NN2C(=O)CS[C@H]2c2ccccc2)cc1 ZINC000005663483 FF Annotated Anodyne COc1ccccc1NC(=O)[C@@H](Cc1ccc(Cl)cc1)c1nn[nH]n1 ZINC000005671226 FF Annotated Anodyne COc1ccccc1NC(=O)[C@H](Cc1ccc(Cl)cc1)c1nn[nH]n1 ZINC000005671231 FF Annotated Anodyne Nc1cccc2c1C(=O)N(C(=O)/C=C/c1cccc(Br)c1)C2=O ZINC000005691266 FF Annotated Anodyne CC(=O)O[C@]12c3ccccc3-c3ccccc3[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)O ZINC000005712184 FF Annotated Anodyne CC(=O)O[C@]12c3ccccc3-c3ccccc3[C@H]1[C@H](C(=O)O)[C@@H]2C(=O)O ZINC000005712197 FF Annotated Anodyne CC(C)c1cc2c3c(c1O)OC(=O)C[C@@]3(C)[C@@H]1[C@@H](OC(=O)C1(C)C)C2=O ZINC000005721711 FF Annotated Anodyne in-vitro biogenic O=C1C[C@@H]2[C@@H](COC(=O)c3ccccc3)N(OCc3ccccc3)C[C@@H]2O1 ZINC000005723254 FF Annotated Anodyne N#C/C(=C1\SC(C(N)=O)=C(N)N1c1ccccc1)c1nc2ccccc2[nH]1 ZINC000005724242 FF Annotated Reactive CC1(C)CCC[C@]2(C)[C@@H]3C[C@@H](C4=CC(=O)O[C@@H]4O)O[C@]3(CO)CC[C@H]12 ZINC000005734524 FF Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(CO)O[C@H](C3=CC(=O)O[C@@H]3O)C[C@@H]21 ZINC000005734551 FF Annotated Anodyne CCOC(=O)[C@@](NC(=O)CC)(Nc1ccc(F)cc1F)C(F)(F)F ZINC000005757903 FF Annotated Anodyne C/C=C1\C[N+]2(C)[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12 ZINC000005759631 FF Annotated Bother C[S@@](=O)c1ccc(CO[P@](N)(=O)N(CCCl)CCCl)cc1 ZINC000005808052 FF Annotated Reactive C[S@](=O)c1ccc(CO[P@](N)(=O)N(CCCl)CCCl)cc1 ZINC000005808053 FF Annotated Reactive COc1cc(C2=NN(C)[C@@H](c3ccc([N+](=O)[O-])o3)C2)cc(OC)c1OC ZINC000005809586 FF Annotated Bother C[C@H]1C[C@@H](C)C[C@@H](O)[C@H]1[C@H](O)CC1CC(=O)N(c2ccccc2)C(=O)C1 ZINC000005810758 FF Annotated Anodyne COC(=O)[C@@H]1[C@H](C(=O)OC)[C@@]2(OC)c3ccccc3-c3ccccc3[C@@H]12 ZINC000005824316 FF Annotated Anodyne CCOC(=O)CC/C(=N/Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC ZINC000005828754 FF Annotated Mild CCOC(=O)CC/C(C)=N\n1c(O)nnc1Cc1ccc(Cl)cc1 ZINC000005828759 FF Annotated Mild CC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(C#N)cn2)c1O ZINC000005833538 FF Annotated Mild CC(=O)c1ccc(F)c([C@@H]2C[C@H]2NC(=O)Nc2ccc(C#N)cn2)c1O ZINC000005833555 FF Annotated Mild CC(=O)c1ccc(F)c([C@H]2C[C@@H]2NC(=O)Nc2ccc(C#N)cn2)c1O ZINC000005833564 FF Annotated Mild CC(=O)c1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(C#N)cn2)c1O ZINC000005833584 FF Annotated Mild CCOC(=O)c1[nH]c2cccc3c2c1CC[C@H](NC(=O)C(F)(F)F)C3=O ZINC000005835967 FF Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1C[C@H]1O[C@]1(C)CC[C@@H]1O[C@@]1(C)CCC[C@@H](C)[C@@H]2O ZINC000005836981 FF Annotated Mild CN1N(c2ccccc2)C(=O)C2=NC=C(C(=O)c3ccccc3)C(=N)[C@]21C ZINC000005838046 FF Annotated Mild O=C1[C@H](Cl)[C@@H](c2ccccc2Cl)N1n1cnc2ccccc2c1=O ZINC000005838607 FF Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccccc2Cl)N1n1cnc2ccccc2c1=O ZINC000005838611 FF Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2ccc(Cl)cc2)N1n1cnc2ccccc2c1=O ZINC000005838618 FF Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccc(Cl)cc2)N1n1cnc2ccccc2c1=O ZINC000005838623 FF Annotated Reactive CCOP(=O)(CCC[C@H](O)CNc1cc(Cl)nc(N)n1)OCC ZINC000005838777 FF Annotated Anodyne CNC(=O)N(CCC#N)[C@H]1CCCC[C@@H]1N(C(=O)NC)c1ccccc1 ZINC000005839987 FF Annotated Mild CCN1c2ncccc2C(=O)Nc2c(C3OCCCO3)cc(OC)nc21 ZINC000005842133 FF Annotated Anodyne CCN1c2ncc(CCc3cncnc3)cc2C(=O)N(C)c2cccnc21 ZINC000005842347 FF Annotated Anodyne CC(C)OP(=O)(OC(C)C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)NN ZINC000005842488 FF Annotated Mild COc1cc(/C=C2\C(=O)N(C(=O)Cc3ccccc3)N=C2C)ccc1O ZINC000005842838 FF Annotated Clean C(CNCC1CC1)CNC[C@H]1CCC[C@@H](CNCCCNCC2CC2)C1 ZINC000005848524 FF Annotated Anodyne C(CNCC1CC1)CNC[C@@H]1CCC[C@@H](CNCCCNCC2CC2)C1 ZINC000005849397 FF Annotated Anodyne O=C1C[C@@H](Sc2ccccc2)C2(OCCO2)[C@H]2ON3CCCC[C@H]3[C@H]12 ZINC000005850115 FF Annotated Anodyne O=C1C[C@@H](Sc2ccccc2)C2(OCCO2)[C@@H]2ON3CCCC[C@H]3[C@H]12 ZINC000005850119 FF Annotated Anodyne COCOc1ccc([C@@]2(O)Oc3cc(OCOC)ccc3[C@H]2C)c(O)c1 ZINC000005854094 FF Annotated Anodyne COCOc1ccc([C@@]2(O)Oc3cc(OCOC)ccc3[C@@H]2C)c(O)c1 ZINC000005854096 FF Annotated Anodyne COCOc1ccc([C@]2(O)Oc3cc(OCOC)ccc3[C@H]2C)c(O)c1 ZINC000005854099 FF Annotated Anodyne COCOc1ccc([C@]2(O)Oc3cc(OCOC)ccc3[C@@H]2C)c(O)c1 ZINC000005854100 FF Annotated Anodyne COC(=O)N1CC=C(c2ccc(-c3cc(CNC(C)=O)on3)cc2)CC1 ZINC000005856107 FF Annotated Anodyne CC(C)CCOC(=O)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 ZINC000005857371 FF Annotated Anodyne CC(C)CCOC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 ZINC000005857378 FF Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC(C)=O)cc2)Cc2cc3ccccc3n2N1 ZINC000005858461 FF Annotated Anodyne CCOC(=O)c1cc(C(=O)c2cc(Br)ccc2O)coc1=N ZINC000005861864 FF Annotated Anodyne COc1ccc(C[C@]23CCC(=O)N2CCc2cc(OC)c(O)cc23)cc1O ZINC000005882753 FF Annotated Anodyne COc1cc2c(cc1O)C[C@@]13CCC(=O)N1CCc1cc(OC)c(O)c-2c13 ZINC000005882755 FF Annotated Anodyne CCCc1cn2c(/C=N/N=C(N)N)c(-c3ccc([N+](=O)[O-])cc3)nc2s1 ZINC000005883417 FF Annotated Mild CCCc1cn2c(/C=N/N=C(N)N)c(-c3cccc([N+](=O)[O-])c3)nc2s1 ZINC000005883420 FF Annotated Mild C[C@@H](O)CCNC(=O)Nc1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O ZINC000005890471 FF Annotated Anodyne C[C@@H](O)CNC(=O)Nc1c(C(F)(F)F)cc(-c2ccccc2)[nH]c1=O ZINC000005890492 FF Annotated Anodyne CC(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H](C)N[C@H](C)C3)cc21 ZINC000005929713 FF Annotated Anodyne CC(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H](C)N[C@H](C)C3)cc21 ZINC000005929740 FF Annotated Anodyne CC(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H](C)N[C@@H](C)C3)cc21 ZINC000005930099 FF Annotated Anodyne O=C1C[C@@H](SCc2ccccn2)N1C(=O)NCCOCc1ccccc1 ZINC000005934218 FF Annotated Anodyne O=C1C[C@H](SCc2ccccn2)N1C(=O)NCCOCc1ccccc1 ZINC000005934220 FF Annotated Anodyne C/C(=N\Nc1nncc2ccccc12)c1ccc(OCC(=O)N(C)C)cc1 ZINC000005938878 FF Annotated Mild O=S1(=O)Nc2ccc(Cl)cc2[C@](C#Cc2ccccn2)(C2CC2)N1 ZINC000005940558 FF Annotated Mild O=S1(=O)Nc2ccc(Cl)cc2[C@@](C#Cc2ccccn2)(C2CC2)N1 ZINC000005940581 FF Annotated Mild O=C1CCN=C(/N=C(\O)C(F)(F)F)N1CCc1c[nH]c2ccccc12 ZINC000005941647 FF Annotated Mild O=C(CCNC(=O)c1ccccc1Cl)N/N=C\c1ccccc1[N+](=O)[O-] ZINC000005945796 FF Annotated Reactive CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN([C@@H]13)[C@@H]2O ZINC000005954499 FF Annotated Anodyne C[C@H](Sc1nnc(-c2cccnc2)n1N)C(=O)NCCC1=CCCCC1 ZINC000005959506 FF Annotated Anodyne C[C@@H](Sc1nnc(-c2cccnc2)n1N)C(=O)NCCC1=CCCCC1 ZINC000005959510 FF Annotated Anodyne CCCOC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(F)c3)C[C@]23C=C[C@H]1O3 ZINC000005965067 FF Annotated Anodyne CCCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(F)c3)C[C@]23C=C[C@H]1O3 ZINC000005965129 FF Annotated Anodyne O=S1(=O)CC[C@@H](SCc2nc3sccn3c2Br)C1 ZINC000005991265 FF Annotated Anodyne COc1ccccc1CN1CCOc2ccc([C@](C)(O)CN(C)C)cc2C1 ZINC000055042599 FF Annotated Anodyne COc1ccccc1CN1CCOc2ccc([C@@](C)(O)CN(C)C)cc2C1 ZINC000055042600 FF Annotated Anodyne C=C(C)CN(CC)Cc1cnc(S(=O)(=O)CCC(C)C)n1CCOC ZINC000055054306 FF Annotated Mild CCN(C)C(=O)[C@H]1C[C@@](CC(C)C)(C(=O)OC)N(C)[C@H]1c1cccnc1 ZINC000055108402 FF Annotated Anodyne CC(C)Cn1c(CN2CCC[C@@H]2c2ccccn2)cnc1S(C)(=O)=O ZINC000055109259 FF Annotated Anodyne CC(C)Cn1c(CN2CCC[C@H]2c2ccccn2)cnc1S(C)(=O)=O ZINC000055109260 FF Annotated Anodyne Cn1cc(CN2CCN(c3cnccn3)CC2)c(-c2cccc(Cl)c2)n1 ZINC000055154057 FF Annotated Anodyne CN(Cc1ccc2nonc2c1)Cc1nc(Cc2cccc(F)c2)no1 ZINC000055167350 FF Annotated Anodyne Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3ocnc3C)C2)CC1 ZINC000055253364 FF Annotated Anodyne Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3ocnc3C)C2)CC1 ZINC000055253367 FF Annotated Anodyne COc1cc(-c2n[nH]cc2CN(C)Cc2cnccn2)cc(OC)c1OC ZINC000055271443 FF Annotated Anodyne COc1ccc2cc(-c3n[nH]cc3CN3CCNC(=O)C3(C)C)ccc2c1 ZINC000055343947 FF Annotated Anodyne CCCN1CCN(Cc2ccc(Cl)cc2Cl)[C@H](C2=NCCN2)C1 ZINC000055906568 FF Annotated Anodyne O=C(c1ccco1)[C@@H]1[C@@H](c2ccccc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000056054336 FF Annotated Anodyne Cc1ccccc1-n1c(=O)c2sccc2n(C/C(O)=N/C(C)C)c1=O ZINC000057489791 FF Annotated Mild Fc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCSCC2)cc1 ZINC000057613893 FF Annotated Anodyne Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCSCC2)cc1 ZINC000057613897 FF Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCC(O)CC1 ZINC000057613938 FF Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)N1CCC(O)CC1 ZINC000057613939 FF Annotated Anodyne COc1cc(OC)c([C@H]2N(c3ccccn3)C(=O)[C@H]3CCCN32)cc1OC ZINC000058046576 FF Annotated Anodyne COc1cc(OC)c([C@@H]2N(c3ccccn3)C(=O)[C@H]3CCCN23)cc1OC ZINC000058046580 FF Annotated Anodyne COc1cc([C@H]2N(c3ccccn3)C(=O)[C@H]3CCCN32)cc(OC)c1OC ZINC000058046633 FF Annotated Anodyne COc1cc([C@@H]2N(c3ccccn3)C(=O)[C@H]3CCCN23)cc(OC)c1OC ZINC000058046634 FF Annotated Anodyne CCOc1ccc([C@H]2N(c3cc(C)on3)C(=O)[C@H]3CCCN32)cc1OC ZINC000058047655 FF Annotated Anodyne CCOc1ccc([C@@H]2N(c3cc(C)on3)C(=O)[C@H]3CCCN23)cc1OC ZINC000058047656 FF Annotated Anodyne COc1cc(OC)c([C@H]2N(c3cc(C)on3)C(=O)[C@H]3CCCN32)cc1OC ZINC000058047708 FF Annotated Anodyne COc1cc(OC)c([C@@H]2N(c3cc(C)on3)C(=O)[C@H]3CCCN23)cc1OC ZINC000058047710 FF Annotated Anodyne COc1cc([C@H]2N(c3cc(C)on3)C(=O)[C@H]3CCCN32)cc(OC)c1OC ZINC000058047758 FF Annotated Anodyne COc1cc([C@@H]2N(c3cc(C)on3)C(=O)[C@H]3CCCN23)cc(OC)c1OC ZINC000058047759 FF Annotated Anodyne O=C(O)CCC[C@H](O)/C=C\C=C\CC[C@H](O)C/C=C\CCCCC(O)O ZINC000584879814 FF Annotated Anodyne Cn1cnc(-c2nccc3c(O)nc(OCCCC(F)(F)F)nc23)c1 ZINC000584904707 FF Annotated Anodyne Cc1sc2nc(COc3ccc(F)cc3)cc(=O)n2c1[C@@H]1C[C@H]1CO ZINC000584904924 FF Annotated Anodyne Cc1ncc(COP(=O)(O)O)c(/C=N/[C@H](C)c2ccccc2)c1O ZINC000584904979 FF Annotated Mild Cc1sc2nc(COc3ccc(F)cc3)cc(=O)n2c1[C@H]1C[C@@H]1CO ZINC000584905174 FF Annotated Anodyne CN(c1ccc(OC(F)(F)F)cc1)c1ccc2[nH]c(=N)[nH]c(=N)c2n1 ZINC000584905242 FF Annotated Anodyne CCN(Cc1cc(=O)n2c(C(=O)NC)c(C)sc2n1)c1ccc(F)cc1 ZINC000584905302 FF Annotated Anodyne NC(=O)N=c1s[nH]c(S[C@@H]2CCCCc3ccccc32)c1C(N)=O ZINC000584905611 FF Annotated Anodyne NC(=O)c1cccc(N=c2nc(OCC3CCCCC3)c3nc[nH]c3[nH]2)c1 ZINC000584905644 FF Annotated Anodyne Cn1nc(O)c(C(=O)Nc2c(F)c(F)c(-c3ccccc3)c(F)c2F)n1 ZINC000584905772 FF Annotated Anodyne CCCN1CCN(Cc2ccc(Cl)cc2Cl)[C@@H](C2=NCCN2)C1 ZINC000058501870 FF Annotated Anodyne COc1ccc(-n2nc(C)n(CCSc3ccc(N)cc3)c2=O)cc1 ZINC000058506726 FF Annotated Anodyne O=C(O)CCCCC(=O)O[C@]12CCCC[C@@H]1[C@H]1CCCC[C@]1(O)OO2 ZINC000058529003 FF Annotated Anodyne CC(=O)O/N=C/c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1 ZINC000058534024 FF Annotated Mild C[C@@H](NC(=O)C(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 ZINC000058540859 FF Annotated Mild Nc1ncc2c(n1)C[C@H]1CCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000058540948 FF Annotated Anodyne CC(C)(C)OC(=O)NN(CC1CC1)c1nc(C#N)ncc1Br ZINC000058568373 FF Annotated Reactive CC(C)CN(NC(=O)c1ccc2nc[nH]c2c1)c1nc(C#N)ncc1Cl ZINC000058569330 FF Annotated Reactive C[C@H](NC(=O)C(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 ZINC000058575132 FF Annotated Mild CC(C)(C)OC(=O)NN(c1nc(C#N)ncc1Br)C1CCC1 ZINC000058575715 FF Annotated Reactive C=C(CO)[C@H]1Cc2cc3c(cc2O1)OC[C@H]1c2cc4c(cc2O[C@@H]31)OCO4 ZINC000058581419 FF Annotated Mild in-vitro biogenic C[C@H]1CN(C2=Cc3ccccc3Cn3ccnc32)C[C@H](C)N1CCC(=O)O ZINC000058582058 FF Annotated Anodyne O=S1(=O)COC[C@@H](COCc2ccc(F)cc2)N1Cc1ccccc1 ZINC000058582311 FF Annotated Anodyne CC[C@@H](CC(=O)NCC[C@@H]1CCNC1)n1c(N)nc2cc(Cl)ccc21 ZINC000058583196 FF Annotated Anodyne Cc1cc2n[nH]c(=O)n2c2cc(-c3ccc(CN4CCNCC4)cc3)ccc12 ZINC000058590580 FF Annotated Anodyne COc1cc2c(=O)c(-c3cc(OC)c4c(c3OC)OCO4)coc2cc1O ZINC000058590789 FF Annotated Anodyne COc1ccc(Cn2nncc2-c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000058591150 FF Annotated Anodyne N#C[C@@H]1C[C@H]2Cc3[nH]ncc3[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000058608727 FF Annotated Mild O=C1CCC(c2ccccc2)(c2nc3ccc(-n4cnnn4)cc3[nH]2)CC1 ZINC000586877674 FF Annotated Anodyne NS(=O)(=O)c1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2c1 ZINC000586877860 FF Annotated Anodyne NS(=O)(=O)c1cccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c12 ZINC000586877861 FF Annotated Anodyne Cc1cc(-c2nc3c(O)nc(=N)[nH]c3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586878571 FF Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(O)nc(=N)[nH]c3[nH]2)cc1 ZINC000586879349 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2c1 ZINC000586879690 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2c1 ZINC000586879694 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c12 ZINC000586880826 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c12 ZINC000586880827 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C\c3ccccc3C(=O)O)[nH]c12 ZINC000586881272 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(/C=C/c3ccccc3C(=O)O)[nH]c12 ZINC000586881274 FF Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3C(C(C)=O)C(C)=O)[nH]c2n1 ZINC000586881808 FF Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c(O)nc(=N)[nH]c3[nH]2)c1 ZINC000586882062 FF Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586882167 FF Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000586882309 FF Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000586882484 FF Annotated Anodyne COC(=O)c1cc2nc(-c3ccccc3C(C(C)=O)C(C)=O)[nH]c2cn1 ZINC000586882522 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccccc3C(C(C)=O)C(C)=O)nc12 ZINC000586882609 FF Annotated Anodyne CC1=C(c2ccc3nc([C@H]4C[C@H]5C=CC[C@@H](C4)C5=O)[nH]c3c2)NNC(=O)C1 ZINC000586886195 FF Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4C[C@H]5C=CC[C@@H](C4)C5=O)[nH]c3c2)NNC(=O)C1 ZINC000586886212 FF Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586886565 FF Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586886570 FF Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586887097 FF Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586887098 FF Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586887532 FF Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586887534 FF Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586888089 FF Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586888092 FF Annotated Anodyne Oc1cccc([C@@H](O)c2nc3cccc(I)c3[nH]2)c1 ZINC000586888094 FF Annotated Anodyne Oc1cccc([C@H](O)c2nc3cccc(I)c3[nH]2)c1 ZINC000586888107 FF Annotated Anodyne CCCCOc1cc2nc(C[C@@H](O)CC(=O)O)[nH]c2cc1Br ZINC000586889111 FF Annotated Anodyne CCCCOc1cc2nc(C[C@H](O)CC(=O)O)[nH]c2cc1Br ZINC000586889125 FF Annotated Anodyne CC(C)COc1cc2nc(C[C@@H](O)CC(=O)O)[nH]c2cc1Br ZINC000586889805 FF Annotated Anodyne CC(C)COc1cc2nc(C[C@H](O)CC(=O)O)[nH]c2cc1Br ZINC000586889808 FF Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 ZINC000586890302 FF Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 ZINC000586890305 FF Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 ZINC000586890307 FF Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 ZINC000586890308 FF Annotated Anodyne Oc1cccc([C@@H](O)c2nc3ccc(I)cc3[nH]2)c1 ZINC000586891299 FF Annotated Anodyne Oc1cccc([C@H](O)c2nc3ccc(I)cc3[nH]2)c1 ZINC000586891301 FF Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@H](O)c3cccc(O)c3)[nH]c12 ZINC000586892020 FF Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H](O)c3cccc(O)c3)[nH]c12 ZINC000586892024 FF Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 ZINC000586892463 FF Annotated Anodyne Cc1ccc([C@@H](C)[C@@H](O)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 ZINC000586892466 FF Annotated Anodyne Cc1ccc([C@H](C)[C@@H](O)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 ZINC000586892467 FF Annotated Anodyne Cc1ccc([C@H](C)[C@H](O)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 ZINC000586892469 FF Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586892610 FF Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586892612 FF Annotated Anodyne N#Cc1nc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2nc1C#N ZINC000586894655 FF Annotated Mild OCc1cccc(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000586895161 FF Annotated Anodyne OCc1ccc(-c2nc3ncc(I)cc3[nH]2)cc1 ZINC000586895496 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C3(c4ccccc4O)CC3)[nH]c12 ZINC000586896368 FF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3CC[C@H](O)CC3)[nH]c2c1 ZINC000586896613 FF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3CC[C@H](O)CC3)[nH]c2c1 ZINC000586897172 FF Annotated Anodyne OCC12CCC(c3nc4ccc(CN5CCOCC5)cc4[nH]3)(CC1)CC2 ZINC000586897918 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c12 ZINC000586899442 FF Annotated Anodyne CC1=C(c2ccc3nc(C45CCC(CO)(CC4)CC5)[nH]c3c2)NNC(=O)C1 ZINC000586899965 FF Annotated Anodyne CC[C@H](O)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000586900100 FF Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4C[C@@H](O)c5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000586901295 FF Annotated Anodyne CC1=C(c2ccc3nc([C@H]4C[C@@H](O)c5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000586901296 FF Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4C[C@H](O)c5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000586901298 FF Annotated Anodyne CC1=C(c2ccc3nc([C@H]4C[C@H](O)c5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000586901301 FF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](O)C(C)(C)CO)nc2c1 ZINC000586901314 FF Annotated Anodyne N#Cc1nc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2nc1C#N ZINC000586901763 FF Annotated Mild O=Cc1ccc(OCc2occc2-c2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000586902205 FF Annotated Anodyne Cc1oc2c(c1-c1nc3cccc(S(=O)(=O)N(C)C)c3[nH]1)C(=O)CCC2 ZINC000586902907 FF Annotated Anodyne COC(=O)c1ccnc2nc(-c3cc4c(C=O)ccc(OC)c4o3)[nH]c12 ZINC000586902946 FF Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c12 ZINC000586902950 FF Annotated Mild Cc1oc2c(c1-c1nc3ccc(S(=O)(=O)N(C)C)cc3[nH]1)C(=O)CCC2 ZINC000586903818 FF Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc4c(C=O)ccc(OC)c4o3)nc2cn1 ZINC000586904175 FF Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cc4c(C=O)ccc(OC)c4o3)nc2n1 ZINC000586904233 FF Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)oc12 ZINC000586904578 FF Annotated Anodyne O=C1OC(=O)c2cc(-c3nc4c(F)cnc(Br)c4[nH]3)ccc21 ZINC000586905837 FF Annotated Reactive CC1(C)OC(=O)C[C@@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586906098 FF Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586906099 FF Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586906357 FF Annotated Bother O=C1c2ccoc2CC[C@H]1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586906359 FF Annotated Bother COC(=O)c1cc2[nH]c(C[C@@H]3CCc4occc4C3=O)nc2cc1OC ZINC000586906688 FF Annotated Anodyne COC(=O)c1cc2[nH]c(C[C@H]3CCc4occc4C3=O)nc2cc1OC ZINC000586906689 FF Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586906906 FF Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586906909 FF Annotated Anodyne CC1=C(c2ccc3[nH]c(C4=Cc5cccc(O)c5OC4)nc3c2)NNC(=O)C1 ZINC000586907080 FF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H]3CC(=O)OC3(C)C)nc2c1 ZINC000586907795 FF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3CC(=O)OC3(C)C)nc2c1 ZINC000586907796 FF Annotated Anodyne COC(=O)c1ccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2c1OC ZINC000586908371 FF Annotated Anodyne O=C1OC(=O)c2cc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)ccc21 ZINC000586908604 FF Annotated Reactive COC(=O)c1ccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2c1OC ZINC000586908729 FF Annotated Anodyne COC(=O)c1ccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2c1OC ZINC000586908731 FF Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2cccc(I)c2[nH]1 ZINC000586908854 FF Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2cccc(I)c2[nH]1 ZINC000586908863 FF Annotated Anodyne CN1CCN(c2ccc3nc(C[C@@H]4CCc5occc5C4=O)[nH]c3c2)CC1 ZINC000586909149 FF Annotated Anodyne CN1CCN(c2ccc3nc(C[C@H]4CCc5occc5C4=O)[nH]c3c2)CC1 ZINC000586909150 FF Annotated Anodyne COC(=O)c1cc2nc(C3=Cc4cccc(O)c4OC3)[nH]c2cc1OC ZINC000586909212 FF Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586910315 FF Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586910320 FF Annotated Anodyne CC1(C)OC(=O)C[C@@H]1c1nc2ccc(I)cc2[nH]1 ZINC000586910421 FF Annotated Anodyne CC1(C)OC(=O)C[C@H]1c1nc2ccc(I)cc2[nH]1 ZINC000586910424 FF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](O)C3CCOCC3)nc2c1 ZINC000586912268 FF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](O)C3CCOCC3)nc2c1 ZINC000586912273 FF Annotated Anodyne O=S(=O)(O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 ZINC000586912623 FF Annotated Anodyne O[C@@H](c1nc2ccc(I)cc2[nH]1)C1CCOCC1 ZINC000586912640 FF Annotated Anodyne COC(=O)c1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cn1 ZINC000586912642 FF Annotated Anodyne O[C@H](c1nc2ccc(I)cc2[nH]1)C1CCOCC1 ZINC000586912643 FF Annotated Anodyne COC(=O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2n1 ZINC000586913531 FF Annotated Anodyne O=C1COc2cc3[nH]c(C4(c5ccc(O)cc5)CCOCC4)nc3cc2N1 ZINC000586913589 FF Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4CCOC4)[nH]c3c2)cc1 ZINC000586913606 FF Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4CCOC4)[nH]c3c2)cc1 ZINC000586913610 FF Annotated Anodyne O[C@@H](c1nc2cccc(I)c2[nH]1)C1CCOCC1 ZINC000586913788 FF Annotated Anodyne O[C@H](c1nc2cccc(I)c2[nH]1)C1CCOCC1 ZINC000586913789 FF Annotated Anodyne Oc1ccc(C2(c3nc4c(S)nc(S)nc4[nH]3)CCOCC2)cc1 ZINC000586913799 FF Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc([C@H](O)C3CCOCC3)[nH]c12 ZINC000586913867 FF Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc([C@@H](O)C3CCOCC3)[nH]c12 ZINC000586913868 FF Annotated Bother Oc1ccc(C2(c3nc4cc5nc(O)[nH]c5cc4[nH]3)CCOCC2)cc1 ZINC000586913882 FF Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc([C@H](O)C3CCOCC3)[nH]c12 ZINC000586914199 FF Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc([C@@H](O)C3CCOCC3)[nH]c12 ZINC000586914200 FF Annotated Bother COC(=O)c1ccnc2[nH]c(C3(c4ccc(O)cc4)CCOCC3)nc12 ZINC000586914214 FF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3(O)CCOCC3)nc2c1 ZINC000586914223 FF Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3c(O)nc(O)nc3[nH]2)c1 ZINC000586914614 FF Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586915107 FF Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586915108 FF Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586915109 FF Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586915110 FF Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586915335 FF Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586915336 FF Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586915337 FF Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586915338 FF Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H](O)C3CCOCC3)[nH]c21 ZINC000586915569 FF Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H](O)C3CCOCC3)[nH]c21 ZINC000586915576 FF Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4O[C@H]4C)[nH]c3c2)cc1 ZINC000586917114 FF Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2cn1 ZINC000586917575 FF Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2cn1 ZINC000586917578 FF Annotated Anodyne COC(=O)c1cc2nc([C@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2cn1 ZINC000586917581 FF Annotated Anodyne COC(=O)c1cc2nc([C@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2cn1 ZINC000586917582 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H]3C[C@@]34CCOc3ccc(OC)cc34)nc12 ZINC000586917689 FF Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc[nH]c(=N)c4[nH]3)c(=O)oc2c1C ZINC000586917691 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3C[C@@]34CCOc3ccc(OC)cc34)nc12 ZINC000586917693 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H]3C[C@]34CCOc3ccc(OC)cc34)nc12 ZINC000586917699 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3C[C@]34CCOc3ccc(OC)cc34)nc12 ZINC000586917703 FF Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ncc[nH]c-4n3)c(=O)oc2c1C ZINC000586917986 FF Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(O)nc(S)nc2[nH]1 ZINC000586918065 FF Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(O)nc(S)nc2[nH]1 ZINC000586918067 FF Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(O)nc(S)nc2[nH]1 ZINC000586918068 FF Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(O)nc(S)nc2[nH]1 ZINC000586918070 FF Annotated Anodyne c1ccc2c(c1)OC[C@@H](c1nc3ccc(CN4CCOCC4)cc3[nH]1)O2 ZINC000586918163 FF Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cncnc4[nH]3)c(=O)oc2c1C ZINC000586918191 FF Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2n1 ZINC000586918400 FF Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2n1 ZINC000586918402 FF Annotated Anodyne COC(=O)c1ccc2nc([C@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2n1 ZINC000586918403 FF Annotated Anodyne COC(=O)c1ccc2nc([C@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2n1 ZINC000586918404 FF Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cnnc(O)c4[nH]3)c(=O)oc2c1C ZINC000586918515 FF Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(=N)[nH]cc4[nH]3)c(=O)oc2c1C ZINC000586918826 FF Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cnncc4[nH]3)c(=O)oc2c1C ZINC000586918994 FF Annotated Anodyne COc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1F ZINC000586919622 FF Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(F)c(F)c(F)c3[nH]2)cc1 ZINC000586919746 FF Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(F)cnc(Cl)c3[nH]2)cc1 ZINC000586919756 FF Annotated Bother COc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1C ZINC000586919770 FF Annotated Bother O=S(=O)(CCc1nc2c(Cl)ncnc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586919877 FF Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000586919953 FF Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000586920108 FF Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3c(F)cnc(Cl)c3[nH]2)cc1 ZINC000586920308 FF Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(F)cc(F)c3[nH]2)cc1 ZINC000586920418 FF Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3cc(F)c(F)c(F)c3[nH]2)cc1 ZINC000586920462 FF Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000586920469 FF Annotated Bother CCOC(=O)c1ccc2nc(CS(=O)(=O)c3ccc(OC)cc3)[nH]c2c1 ZINC000586920582 FF Annotated Anodyne CC(=O)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000586920695 FF Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(F)c(F)c3[nH]2)cc1 ZINC000586920713 FF Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc4ncccc4c3[nH]2)cc1 ZINC000586920733 FF Annotated Bother Cc1cnc(Cl)c2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc12 ZINC000586920785 FF Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3cc(OC)c(F)cc3[nH]2)cc1 ZINC000586920806 FF Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000586920832 FF Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cncnc2[nH]1)c1ccccc1 ZINC000586920954 FF Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3cc(OC)cc(OC)c3[nH]2)c1 ZINC000586920955 FF Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3cccc(C(=O)OC)c3[nH]2)c1 ZINC000586920979 FF Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc(OC)cc(OC)c3[nH]2)cc1 ZINC000586920987 FF Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000586921020 FF Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cnc4ccccc4c3[nH]2)cc1 ZINC000586921110 FF Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3c(C)cnc(Cl)c3[nH]2)cc1 ZINC000586921126 FF Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2c(O)ncnc2[nH]1)c1ccccc1 ZINC000586921134 FF Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 ZINC000586921147 FF Annotated Bother CCS(=O)(=O)c1cccc(Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1 ZINC000586921167 FF Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1 ZINC000586921387 FF Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 ZINC000586921390 FF Annotated Anodyne N#Cc1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 ZINC000586921475 FF Annotated Mild O=S(=O)(CCc1nc2ccc(CCO)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586921490 FF Annotated Anodyne O=[N+]([O-])c1cccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 ZINC000586921523 FF Annotated Bother CCS(=O)(=O)c1ccccc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000586921534 FF Annotated Anodyne O=[N+]([O-])c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 ZINC000586921536 FF Annotated Bother O=S(=O)(CCc1nc2cc3c(cc2[nH]1)OCO3)c1ccc2c(c1)CCC2 ZINC000586921858 FF Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586921907 FF Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2ncc[nH]c-2n1)c1ccccc1 ZINC000586921926 FF Annotated Anodyne O=S(=O)(CCc1nc2cc3cn[nH]c3cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586922013 FF Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cnncc2[nH]1)c1ccccc1 ZINC000586922068 FF Annotated Anodyne Nc1ncnc2[nH]c(-c3ccccc3CS(=O)(=O)c3ccccc3)nc12 ZINC000586922224 FF Annotated Anodyne O=C(O)c1cccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 ZINC000586922447 FF Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586922541 FF Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cnnc(O)c2[nH]1)c1ccccc1 ZINC000586922547 FF Annotated Anodyne N#Cc1cccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 ZINC000586922625 FF Annotated Mild Cn1nccc1CS(=O)(=O)Cc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586922634 FF Annotated Anodyne O=S(=O)(CCc1nc2ccc(CO)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586922838 FF Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 ZINC000586922866 FF Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3cc(Cl)nc(C#N)c3[nH]2)c1 ZINC000586923035 FF Annotated Mild CCS(=O)(=O)c1ccccc1-c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000586923123 FF Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cccnc4[nH]3)c2)o1 ZINC000586923247 FF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C\S(C)(=O)=O)nc2c1 ZINC000586923573 FF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C/S(C)(=O)=O)nc2c1 ZINC000586923574 FF Annotated Anodyne O=S(=O)(Cc1nc2c(F)cnc(Br)c2[nH]1)C1CCCC1 ZINC000586923928 FF Annotated Anodyne O=S(=O)(/C=C\c1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccccc1 ZINC000586923965 FF Annotated Anodyne O=S(=O)(/C=C/c1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccccc1 ZINC000586923966 FF Annotated Anodyne O=C1CCc2cc3nc(/C=C/S(=O)(=O)c4ccccc4)[nH]c3cc2N1 ZINC000586924010 FF Annotated Anodyne O=C1CCc2cc3nc(/C=C\S(=O)(=O)c4ccccc4)[nH]c3cc2N1 ZINC000586924011 FF Annotated Anodyne CCOC(=O)Cc1ccc2nc(CS(=O)(=O)C3CCCC3)[nH]c2c1 ZINC000586924027 FF Annotated Anodyne CN(C)C(=O)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586924065 FF Annotated Anodyne CN(C)C(=O)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586924066 FF Annotated Anodyne O=S(=O)(Cc1nc2ccc(Br)c(O)c2[nH]1)C1CCCC1 ZINC000586924117 FF Annotated Anodyne Cc1c(Br)cnc2[nH]c(CS(=O)(=O)C3CCCC3)nc12 ZINC000586924138 FF Annotated Anodyne Cc1ccnc2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc12 ZINC000586924441 FF Annotated Bother O=S(=O)(/C=C\c1nc2nc(Br)c[nH]c-2n1)c1ccccc1 ZINC000586924460 FF Annotated Anodyne O=S(=O)(/C=C/c1nc2nc(Br)c[nH]c-2n1)c1ccccc1 ZINC000586924462 FF Annotated Anodyne COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccnc(O)c2[nH]1 ZINC000586924489 FF Annotated Unstable O=S(=O)(Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C1CCCC1 ZINC000586924789 FF Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc4cn[nH]c4cc3[nH]2)cc1 ZINC000586924850 FF Annotated Anodyne COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cnncc2[nH]1 ZINC000586924894 FF Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586924918 FF Annotated Bother CS(=O)(=O)c1ccc(C(=O)CCc2nc3cncc(Cl)c3[nH]2)cc1 ZINC000586925053 FF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CS(=O)(=O)C3CCCC3)nc2c1 ZINC000586925151 FF Annotated Anodyne COC(=O)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1OC ZINC000586925187 FF Annotated Anodyne COC(=O)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1OC ZINC000586925188 FF Annotated Anodyne COC(=O)c1cc2[nH]c(/C=C/S(=O)(=O)c3ccccc3)nc2cc1OC ZINC000586925253 FF Annotated Anodyne COC(=O)c1cc2[nH]c(/C=C\S(=O)(=O)c3ccccc3)nc2cc1OC ZINC000586925254 FF Annotated Anodyne O=[N+]([O-])c1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000586925291 FF Annotated Bother O=[N+]([O-])c1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000586925302 FF Annotated Bother Cc1nc2[nH]c(CS(=O)(=O)C3CCCC3)nc2cc1Br ZINC000586925310 FF Annotated Anodyne CS(=O)(=O)c1cc(-c2nc3cccnc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925683 FF Annotated Bother CS(=O)(=O)c1cc(-c2nc3cc(F)cnc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925877 FF Annotated Bother COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(=N)[nH]cc2[nH]1 ZINC000586925961 FF Annotated Unstable Cc1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2n1 ZINC000586926377 FF Annotated Bother CCc1ccc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1S(=O)(=O)Cl ZINC000586926866 FF Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cccc(O)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586927002 FF Annotated Bother COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ncc[nH]c-2n1 ZINC000586927101 FF Annotated Unstable CCc1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1S(=O)(=O)Cl ZINC000586927298 FF Annotated Unstable Cc1cc(-c2nc3c(S)nc(S)nc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586927349 FF Annotated Unstable COC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2n1 ZINC000586927793 FF Annotated Unstable Cc1nccc2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc12 ZINC000586927825 FF Annotated Bother Cc1cc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586927852 FF Annotated Unstable CCc1ccc(-c2nc3cc(N)c(N)cc3[nH]2)cc1S(=O)(=O)Cl ZINC000586928090 FF Annotated Unstable Cc1cnc2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc2c1 ZINC000586928197 FF Annotated Bother Cc1cncc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c12 ZINC000586928210 FF Annotated Bother COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(N)ccnc2[nH]1 ZINC000586928245 FF Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cncnc2[nH]1 ZINC000586928266 FF Annotated Unstable Cc1cc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586928307 FF Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc[nH]c(=N)c2[nH]1 ZINC000586928327 FF Annotated Unstable COC(=O)c1cc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2cn1 ZINC000586928372 FF Annotated Unstable Cc1cc(Cl)cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c12 ZINC000586928431 FF Annotated Anodyne CN(Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928433 FF Annotated Anodyne COc1cc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2cc1C ZINC000586928499 FF Annotated Mild CSc1ccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 ZINC000586928502 FF Annotated Mild CN(Cc1nc2cccc(C(F)(F)F)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928506 FF Annotated Anodyne Cc1ccnc2[nH]c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc12 ZINC000586928552 FF Annotated Anodyne CCc1ccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 ZINC000586928578 FF Annotated Mild CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928654 FF Annotated Anodyne CN(Cc1nc2cc3ccccc3cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928666 FF Annotated Anodyne Cc1cc(F)c2[nH]c(CN(C)S(=O)(=O)c3ccc(C#N)cc3)nc2c1 ZINC000586928680 FF Annotated Mild Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cnnc(O)c3[nH]2)c1Cl ZINC000586928751 FF Annotated Unstable CC(C)Oc1ccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2c1 ZINC000586928757 FF Annotated Anodyne CN(Cc1nc2ccc(CO)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928768 FF Annotated Anodyne CN(Cc1nc2ccc(F)c(F)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928790 FF Annotated Mild CN(Cc1nc2cc(Cl)c(F)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928936 FF Annotated Anodyne Cc1c(F)ccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c12 ZINC000586928946 FF Annotated Mild Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc[nH]c(=N)c3[nH]2)c1Cl ZINC000586928960 FF Annotated Unstable CN(Cc1nc2cccc(C#N)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928970 FF Annotated Mild Cc1cnc2[nH]c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc2c1 ZINC000586928973 FF Annotated Anodyne CN(Cc1nc2cc(F)c(F)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929018 FF Annotated Mild NS(=O)(=O)c1c[nH]c(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)c1 ZINC000586929059 FF Annotated Anodyne Cc1nccc2[nH]c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc12 ZINC000586929070 FF Annotated Anodyne Cc1cncc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c12 ZINC000586929088 FF Annotated Anodyne Cc1cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2cc1Cl ZINC000586929106 FF Annotated Anodyne Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(O)ncnc3[nH]2)c1Cl ZINC000586929123 FF Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(=N)[nH]cc3[nH]2)c1Cl ZINC000586929155 FF Annotated Unstable Cc1ccc2c(ccc3nc(CN(C)S(=O)(=O)c4cccnc4)[nH]c32)n1 ZINC000586929189 FF Annotated Anodyne CN(Cc1nc2cc(F)cnc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929244 FF Annotated Anodyne CN(Cc1nc2cccc(Cl)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929246 FF Annotated Mild Cc1cc(C)c2[nH]c(CN(C)S(=O)(=O)c3ccc(C#N)cc3)nc2c1 ZINC000586929265 FF Annotated Mild Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586929326 FF Annotated Anodyne CN(Cc1nc2ccc(Cl)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929332 FF Annotated Mild Cc1c(Br)cc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc2c1C ZINC000586929349 FF Annotated Anodyne Cc1ccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1C ZINC000586929402 FF Annotated Mild Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586929428 FF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(Cl)cc2[nH]1 ZINC000586929430 FF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586929436 FF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cccc(Cl)c2[nH]1 ZINC000586929441 FF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cnc3ccccc3c2[nH]1 ZINC000586929451 FF Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000586929455 FF Annotated Anodyne CN(Cc1nc2cc(Cl)cc(F)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929513 FF Annotated Anodyne CSc1ccc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2c1 ZINC000586929516 FF Annotated Anodyne CN(Cc1nc2ccc3c(c2[nH]1)CCCC3)S(=O)(=O)c1cccnc1 ZINC000586929531 FF Annotated Anodyne Cc1c(Cl)ccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c12 ZINC000586929553 FF Annotated Anodyne Cc1cc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2cc1F ZINC000586929578 FF Annotated Mild Cc1ccc2c(ccc3[nH]c(-c4ccc(CS(N)(=O)=O)cc4)nc32)n1 ZINC000586929611 FF Annotated Anodyne CN(Cc1nc2ccc(C#N)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929630 FF Annotated Mild NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)c1 ZINC000586929634 FF Annotated Anodyne CN(Cc1nc2cc(F)cc(F)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929635 FF Annotated Mild Cc1cc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2cc1C ZINC000586929667 FF Annotated Mild Cc1ccc(C)c2[nH]c(CN(C)S(=O)(=O)c3ccc(C#N)cc3)nc12 ZINC000586929681 FF Annotated Mild C=CCc1cccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c12 ZINC000586929704 FF Annotated Mild CN(C)S(=O)(=O)CCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586929821 FF Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cncc(OC)c3[nH]2)c1 ZINC000586929829 FF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586929940 FF Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(OC)nc3[nH]2)c1 ZINC000586929953 FF Annotated Anodyne C=CCc1cccc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c12 ZINC000586929964 FF Annotated Mild NS(=O)(=O)Cc1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 ZINC000586930089 FF Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1 ZINC000586930104 FF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc3ncccc3c2[nH]1 ZINC000586930127 FF Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccnc(OC)c3[nH]2)c1 ZINC000586930189 FF Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3ccc4c(c3[nH]2)CCCC4)cc1 ZINC000586930352 FF Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)c1 ZINC000586930418 FF Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000586930641 FF Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1 ZINC000586930642 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)o1 ZINC000586930878 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)o1 ZINC000586930901 FF Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586931035 FF Annotated Anodyne Cc1ccc2c(ccc3[nH]c(-c4ccc(S(=O)(=O)N(C)C)o4)nc32)n1 ZINC000586931095 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)o1 ZINC000586931096 FF Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3nc(Cl)c[nH]c-3n2)c1 ZINC000586931146 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)o1 ZINC000586931210 FF Annotated Anodyne Cc1cc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2cc1F ZINC000586931316 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc(Br)ccc3[nH]2)o1 ZINC000586931328 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(Br)cccc3[nH]2)o1 ZINC000586931332 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)o1 ZINC000586931361 FF Annotated Anodyne COc1cc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2cc1Cl ZINC000586931468 FF Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586931593 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000586931603 FF Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586931616 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(F)c(F)c3[nH]2)cc1 ZINC000586931656 FF Annotated Anodyne Cc1c(F)ccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c12 ZINC000586931657 FF Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586931777 FF Annotated Anodyne CCc1ccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2c1 ZINC000586931875 FF Annotated Anodyne Cc1cc(F)c2[nH]c(COc3ccc(S(=O)(=O)N(C)C)cc3)nc2c1 ZINC000586931988 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(F)cc(F)c3[nH]2)cc1 ZINC000586932010 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)o1 ZINC000586932032 FF Annotated Bother CC(=O)c1ccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2c1 ZINC000586932054 FF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc3c(cc2[nH]1)OCO3)C(C)C ZINC000586932104 FF Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc3c(cc2[nH]1)OCO3)C(C)C ZINC000586932105 FF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc3nc(O)[nH]c3cc2[nH]1)C(C)C ZINC000586932113 FF Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc3nc(O)[nH]c3cc2[nH]1)C(C)C ZINC000586932114 FF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(C(=O)OC)cc2[nH]1)C(C)C ZINC000586932124 FF Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(C(=O)OC)cc2[nH]1)C(C)C ZINC000586932125 FF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(C(=O)O)c(F)cc2[nH]1)C(C)C ZINC000586932155 FF Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(C(=O)O)c(F)cc2[nH]1)C(C)C ZINC000586932156 FF Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586932246 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(Cl)cc(C#N)cc3[nH]2)o1 ZINC000586932269 FF Annotated Mild CCCCS(=O)(=O)N[C@H](c1nc2cccc(C(=O)OC)c2[nH]1)C(C)C ZINC000586932397 FF Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cccc(C(=O)OC)c2[nH]1)C(C)C ZINC000586932398 FF Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cccc(C(=O)O)c2[nH]1)C(C)C ZINC000586932496 FF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cccc(C(=O)O)c2[nH]1)C(C)C ZINC000586932497 FF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)C(C)C ZINC000586932581 FF Annotated Bother CCCCS(=O)(=O)N[C@@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)C(C)C ZINC000586932583 FF Annotated Bother CCCCS(=O)(=O)N[C@H](c1nc2cc(OC)c(OC)cc2[nH]1)C(C)C ZINC000586932714 FF Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(OC)c(OC)cc2[nH]1)C(C)C ZINC000586932726 FF Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)C(C)C ZINC000586932828 FF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)C(C)C ZINC000586932829 FF Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)C(C)C ZINC000586932830 FF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)C(C)C ZINC000586932831 FF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(CCO)cc2[nH]1)C(C)C ZINC000586933353 FF Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(CCO)cc2[nH]1)C(C)C ZINC000586933354 FF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc3c(cc2[nH]1)OCCO3)C(C)C ZINC000586933503 FF Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc3c(cc2[nH]1)OCCO3)C(C)C ZINC000586933504 FF Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(Cl)nc(C#N)c2[nH]1)C(C)C ZINC000586933507 FF Annotated Mild CCCCS(=O)(=O)N[C@H](c1nc2cc(Cl)nc(C#N)c2[nH]1)C(C)C ZINC000586933508 FF Annotated Mild CCCCS(=O)(=O)N[C@@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586933606 FF Annotated Bother CCCCS(=O)(=O)N[C@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586933607 FF Annotated Bother CCCCS(=O)(=O)N[C@@H](c1nc2cc(F)cc(C(=O)O)c2[nH]1)C(C)C ZINC000586933686 FF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(F)cc(C(=O)O)c2[nH]1)C(C)C ZINC000586933687 FF Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(C#N)c(C#N)cc2[nH]1)C(C)C ZINC000586933929 FF Annotated Mild CCCCS(=O)(=O)N[C@@H](c1nc2cc(C#N)c(C#N)cc2[nH]1)C(C)C ZINC000586933930 FF Annotated Mild CCCCS(=O)(=O)N[C@H](c1nc2cc(OC)cc(OC)c2[nH]1)C(C)C ZINC000586933947 FF Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(OC)cc(OC)c2[nH]1)C(C)C ZINC000586933948 FF Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ncc[nH]c-2n1 ZINC000586934730 FF Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ncc[nH]c-2n1 ZINC000586934732 FF Annotated Anodyne Cc1cnc(Cl)c2nc(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)[nH]c12 ZINC000586934911 FF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3ncc(C(F)(F)F)cc3[nH]2)c1 ZINC000586935036 FF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3nc(Cl)c(Cl)cc3[nH]2)c1 ZINC000586935165 FF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cnc(C(F)(F)F)cc3[nH]2)c1 ZINC000586935431 FF Annotated Anodyne CSc1ccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2c1 ZINC000586935519 FF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)nc(Cl)cc3[nH]2)c1 ZINC000586935695 FF Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000586935838 FF Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000586935840 FF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3nc(C(C)(C)C)ccc3[nH]2)c1 ZINC000586936260 FF Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(Cl)ncc3[nH]2)cc1 ZINC000586936387 FF Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(Cl)ncc3[nH]2)cc1 ZINC000586936388 FF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(ccc4ncccc43)[nH]2)c1 ZINC000586936557 FF Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cncnc2[nH]1 ZINC000586936686 FF Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cncnc2[nH]1 ZINC000586936692 FF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(F)c(F)c(F)cc3[nH]2)c1 ZINC000586936739 FF Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000586936820 FF Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000586936823 FF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3ncc(Cl)c(Cl)c3[nH]2)c1 ZINC000586937061 FF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(cnc4ccccc43)[nH]2)c1 ZINC000586937368 FF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)ncc(Cl)c3[nH]2)c1 ZINC000586937384 FF Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000586937986 FF Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000586937989 FF Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccnc2[nH]1 ZINC000586938568 FF Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cccnc2[nH]1 ZINC000586938569 FF Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586939432 FF Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000586939433 FF Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(OC)cncc3[nH]2)cc1 ZINC000586939470 FF Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(OC)cncc3[nH]2)cc1 ZINC000586939471 FF Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnncc2[nH]1 ZINC000586939557 FF Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnncc2[nH]1 ZINC000586939558 FF Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(OC)ccc3[nH]2)cc1 ZINC000586939720 FF Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(OC)ccc3[nH]2)cc1 ZINC000586939721 FF Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586939942 FF Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000586939943 FF Annotated Anodyne COc1cc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2cc1Cl ZINC000586940285 FF Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)cc(C#N)cc3[nH]2)c1 ZINC000586940319 FF Annotated Mild Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(C)nc(C)cc3[nH]2)cc1 ZINC000586940571 FF Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(C)nc(C)cc3[nH]2)cc1 ZINC000586940572 FF Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc4cn[nH]c4cc3[nH]2)cc1 ZINC000586940651 FF Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc4cn[nH]c4cc3[nH]2)cc1 ZINC000586940652 FF Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586940678 FF Annotated Bother Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586940680 FF Annotated Bother COc1cccc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c12 ZINC000586940820 FF Annotated Anodyne COc1cccc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c12 ZINC000586940821 FF Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)OCO4)cc1 ZINC000586940858 FF Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)OCO4)cc1 ZINC000586940859 FF Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(C(=O)O)cc3[nH]2)cc1 ZINC000586940925 FF Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(C(=O)O)cc3[nH]2)cc1 ZINC000586940926 FF Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc(C#N)c3[nH]2)cc1 ZINC000586941114 FF Annotated Mild Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(C#N)c3[nH]2)cc1 ZINC000586941115 FF Annotated Mild Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc(C(=O)O)c3[nH]2)cc1 ZINC000586941288 FF Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(C(=O)O)c3[nH]2)cc1 ZINC000586941290 FF Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586941339 FF Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586941340 FF Annotated Bother Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(C#N)cc3[nH]2)cc1 ZINC000586941673 FF Annotated Mild Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(C#N)cc3[nH]2)cc1 ZINC000586941674 FF Annotated Mild CCS(=O)(=O)NCCCc1nc2cc(C)cc(Br)c2[nH]1 ZINC000586941676 FF Annotated Anodyne Cc1ccc(C)c2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc12 ZINC000586941761 FF Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(Br)c(C)c2[nH]1 ZINC000586941921 FF Annotated Anodyne Cc1cc(F)c2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc2c1 ZINC000586942011 FF Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(Br)cc(C)c2[nH]1 ZINC000586942059 FF Annotated Anodyne CNS(=O)(=O)NCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586942076 FF Annotated Reactive CCS(=O)(=O)NCCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586942154 FF Annotated Anodyne O=S(=O)(NCCc1nc2cccc(Cl)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942192 FF Annotated Anodyne Cc1cc(C)c2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc2c1 ZINC000586942247 FF Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586942470 FF Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000586942517 FF Annotated Anodyne Cc1c(F)ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 ZINC000586942638 FF Annotated Anodyne O=S(=O)(NCCc1nc2cccnc2[nH]1)c1c(Cl)cccc1Cl ZINC000586942888 FF Annotated Anodyne Cc1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1C ZINC000586942893 FF Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(C)c(Br)cc2[nH]1 ZINC000586942933 FF Annotated Anodyne O=S(=O)(NCCc1nc2cnccc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943212 FF Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586943733 FF Annotated Bother CCS(=O)(=O)NCCCc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586943794 FF Annotated Bother Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586943975 FF Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586944044 FF Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586944446 FF Annotated Clean Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586944505 FF Annotated Mild COc1cc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2cc1Cl ZINC000586944913 FF Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cnc3ccccc3c2[nH]1 ZINC000586945200 FF Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586945305 FF Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cccnc2[nH]1 ZINC000586945309 FF Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586945457 FF Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000586945669 FF Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cnccc2[nH]1 ZINC000586945828 FF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(F)cc(F)c3[nH]2)cc1 ZINC000586945939 FF Annotated Anodyne C=CCc1cccc2nc(CCc3ccc(S(=O)(=O)NC)cc3)[nH]c12 ZINC000586945990 FF Annotated Mild Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586946071 FF Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586946113 FF Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(OC(C)C)cc2[nH]1 ZINC000586946226 FF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000586946261 FF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c(C)cnc(Cl)c3[nH]2)cc1 ZINC000586946323 FF Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc3ncccc3c2[nH]1 ZINC000586946427 FF Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586946466 FF Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)n(C)c1 ZINC000586946549 FF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 ZINC000586946628 FF Annotated Mild CNS(=O)(=O)c1ccc(CCc2nc3cc(F)c(F)c(F)c3[nH]2)cc1 ZINC000586946754 FF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(OC)c(C)cc3[nH]2)cc1 ZINC000586946870 FF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(SC)cc3[nH]2)cc1 ZINC000586947147 FF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 ZINC000586947296 FF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc4ncccc4c3[nH]2)cc1 ZINC000586947340 FF Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)n(C)c1 ZINC000586947372 FF Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(F)c(F)c3[nH]2)cc1 ZINC000586947405 FF Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2n1 ZINC000586947696 FF Annotated Clean CC(C)S(=O)(=O)Nc1ccc(-c2nc3nc(Cl)ncc3[nH]2)cc1 ZINC000586947707 FF Annotated Anodyne CC(C)S(=O)(=O)Nc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000586947760 FF Annotated Anodyne Cc1cc2[nH]c(Cc3ccccc3NS(C)(=O)=O)nc2cc1[N+](=O)[O-] ZINC000586947954 FF Annotated Bother CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000586948123 FF Annotated Clean Cc1cnc(Cl)c2[nH]c(-c3cc(NS(C)(=O)=O)ccc3O)nc12 ZINC000586948552 FF Annotated Clean CC(C)S(=O)(=O)Nc1ccc(-c2nc3ncnc(Cl)c3[nH]2)cc1 ZINC000586948623 FF Annotated Anodyne Cc1cc2[nH]c(-c3cc(NS(C)(=O)=O)ccc3O)nc2cc1[N+](=O)[O-] ZINC000586948666 FF Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc4ncccc4c3[nH]2)c1 ZINC000586948909 FF Annotated Clean CS(=O)(=O)Nc1ccccc1Cc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586949066 FF Annotated Anodyne CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1 ZINC000586949269 FF Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(C#N)cc(Cl)c3[nH]2)c1 ZINC000586949609 FF Annotated Mild CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 ZINC000586949620 FF Annotated Clean COc1cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2cc1OC ZINC000586949810 FF Annotated Anodyne Cc1cnc(Cl)c2[nH]c(Cc3ccccc3NS(C)(=O)=O)nc12 ZINC000586949925 FF Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586949990 FF Annotated Bother CCOC(=O)c1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1 ZINC000586950347 FF Annotated Anodyne COc1cc(OC)c2[nH]c(Cc3ccccc3NS(C)(=O)=O)nc2c1 ZINC000586950542 FF Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586950563 FF Annotated Anodyne O=S(=O)(Cc1nc2cnccc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950650 FF Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586950698 FF Annotated Mild Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586950702 FF Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cnc3ccccc3c2[nH]1 ZINC000586950711 FF Annotated Anodyne CC(C)S(=O)(=O)Nc1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 ZINC000586950870 FF Annotated Bother CS(=O)(=O)Nc1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1 ZINC000586951122 FF Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586951154 FF Annotated Anodyne O=S(=O)(Cc1nc2cccnc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951236 FF Annotated Anodyne Cc1cc2[nH]c(-c3sc(NS(C)(=O)=O)nc3C)nc2cc1[N+](=O)[O-] ZINC000586951423 FF Annotated Bother Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586951532 FF Annotated Anodyne COc1cc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2cc1F ZINC000586951611 FF Annotated Anodyne COc1cc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2cc1C ZINC000586951619 FF Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc3ncccc3c2[nH]1 ZINC000586951760 FF Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccnc(O)c2[nH]1 ZINC000586952288 FF Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CS(=O)(=O)NC3CCC(C)CC3)nc12 ZINC000586952417 FF Annotated Anodyne COc1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2cc1F ZINC000586952834 FF Annotated Anodyne COc1cc(OC)c2[nH]c(CS(=O)(=O)NC3CCC(C)CC3)nc2c1 ZINC000586952988 FF Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(F)c(F)c(F)c3[nH]2)CC1 ZINC000586953155 FF Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3c(C)cnc(Cl)c3[nH]2)CC1 ZINC000586953267 FF Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC1 ZINC000586953270 FF Annotated Bother CCCS(=O)(=O)N1CCC(c2nc3c(F)cnc(Cl)c3[nH]2)CC1 ZINC000586953574 FF Annotated Anodyne COc1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2cc1C ZINC000586953600 FF Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC1 ZINC000586953621 FF Annotated Bother CC1CCC(NS(=O)(=O)Cc2nc3c(F)cnc(Cl)c3[nH]2)CC1 ZINC000586953636 FF Annotated Anodyne Cc1cc2[nH]c(CS(=O)(=O)NC3CCC(C)CC3)nc2cc1[N+](=O)[O-] ZINC000586953662 FF Annotated Bother COc1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2cc1OC ZINC000586953671 FF Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(OC)c(F)cc3[nH]2)CC1 ZINC000586953735 FF Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(F)c(F)c(F)c3[nH]2)CC1 ZINC000586953757 FF Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cccnc2[nH]1 ZINC000586953851 FF Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cnccc2[nH]1 ZINC000586954032 FF Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cnccc4[nH]3)CC2)cc1 ZINC000586954330 FF Annotated Anodyne Cc1cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2cc1F ZINC000586954394 FF Annotated Anodyne Cc1cc(C)c2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc2c1 ZINC000586954424 FF Annotated Anodyne CCc1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2c1 ZINC000586954696 FF Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc12 ZINC000586954708 FF Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(Cl)cc(Cl)c3[nH]2)CC1 ZINC000586954718 FF Annotated Anodyne Cc1cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2cc1C ZINC000586954948 FF Annotated Anodyne Cc1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2c1C ZINC000586954949 FF Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(C(C)(C)C)cc3[nH]2)CC1 ZINC000586955060 FF Annotated Anodyne Cc1cnc2[nH]c(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)nc2c1 ZINC000586955310 FF Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cccc(C(C)(C)C)c3[nH]2)CC1 ZINC000586955392 FF Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)CC1 ZINC000586955543 FF Annotated Bother Cc1cc(F)c2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc2c1 ZINC000586955617 FF Annotated Anodyne Cc1nccc2[nH]c(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)nc12 ZINC000586955688 FF Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cccc(O)c3[nH]2)c1)N1CCC1 ZINC000586955704 FF Annotated Anodyne Cc1c(Cl)ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 ZINC000586957575 FF Annotated Anodyne Cc1c(Cl)ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 ZINC000586957576 FF Annotated Anodyne Nc1ncnc2[nH]c(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc12 ZINC000586957626 FF Annotated Anodyne Nc1ncnc2[nH]c(C[S@](=O)C(c3ccccc3)c3ccccc3)nc12 ZINC000586957627 FF Annotated Anodyne O=C(O)c1cc(Br)cc2nc(C[S@@](=O)CC3CC3)[nH]c12 ZINC000586957913 FF Annotated Anodyne O=C(O)c1cc(Br)cc2nc(C[S@](=O)CC3CC3)[nH]c12 ZINC000586957914 FF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[S@@](=O)CC3CC3)nc2c1 ZINC000586958067 FF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[S@](=O)CC3CC3)nc2c1 ZINC000586958076 FF Annotated Anodyne Cc1cc(Cl)cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 ZINC000586958205 FF Annotated Anodyne Cc1cc(Cl)cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 ZINC000586958206 FF Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc3ncccc3c2[nH]1 ZINC000586958238 FF Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc3ncccc3c2[nH]1 ZINC000586958241 FF Annotated Anodyne CC(C)(SCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(=O)O ZINC000586958505 FF Annotated Anodyne O=[S@@](CCCc1nc2cnncc2[nH]1)c1ccc(Br)cc1 ZINC000586958534 FF Annotated Anodyne O=[S@](CCCc1nc2cnncc2[nH]1)c1ccc(Br)cc1 ZINC000586958535 FF Annotated Anodyne CSc1ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 ZINC000586958830 FF Annotated Anodyne CSc1ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 ZINC000586958838 FF Annotated Anodyne O=[S@](Cc1nc2cccc(I)c2[nH]1)CC1CC1 ZINC000586958877 FF Annotated Anodyne O=[S@@](Cc1nc2cccc(I)c2[nH]1)CC1CC1 ZINC000586958881 FF Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586959090 FF Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000586959092 FF Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(C[S@](=O)CC3CC3)[nH]c21 ZINC000586959133 FF Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(C[S@@](=O)CC3CC3)[nH]c21 ZINC000586959136 FF Annotated Clean O=[S@@](CCCc1nc2ncc[nH]c-2n1)c1ccc(Br)cc1 ZINC000586959249 FF Annotated Anodyne O=[S@](CCCc1nc2ncc[nH]c-2n1)c1ccc(Br)cc1 ZINC000586959252 FF Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(C[S@@](=O)CC3CC3)[nH]c12 ZINC000586959298 FF Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(C[S@](=O)CC3CC3)[nH]c12 ZINC000586959308 FF Annotated Bother CC(C)(SCC(=O)O)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586959503 FF Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586959548 FF Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586959549 FF Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586959559 FF Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000586959560 FF Annotated Anodyne Cc1cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1Cl ZINC000586959641 FF Annotated Anodyne Cc1cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1Cl ZINC000586959643 FF Annotated Anodyne O=[S@@](CCCc1nc2cncnc2[nH]1)c1ccc(Br)cc1 ZINC000586959829 FF Annotated Anodyne O=[S@](CCCc1nc2cncnc2[nH]1)c1ccc(Br)cc1 ZINC000586959831 FF Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(Cl)c2[nH]1 ZINC000586959938 FF Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(Cl)c2[nH]1 ZINC000586959943 FF Annotated Anodyne O=[S@](Cc1nc2ccc(I)cc2[nH]1)CC1CC1 ZINC000586960125 FF Annotated Anodyne O=[S@@](Cc1nc2ccc(I)cc2[nH]1)CC1CC1 ZINC000586960127 FF Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(C[S@@](=O)CC3CC3)[nH]c12 ZINC000586960190 FF Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(C[S@](=O)CC3CC3)[nH]c12 ZINC000586960192 FF Annotated Bother C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586960383 FF Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586960385 FF Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cnc3ccccc3c2[nH]1 ZINC000586960501 FF Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cnc3ccccc3c2[nH]1 ZINC000586960504 FF Annotated Anodyne C=CCc1cccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 ZINC000586960529 FF Annotated Mild C=CCc1cccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 ZINC000586960531 FF Annotated Mild C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000586960533 FF Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000586960536 FF Annotated Anodyne O=[S@@](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)CC1CC1 ZINC000586960716 FF Annotated Anodyne O=[S@](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)CC1CC1 ZINC000586960723 FF Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586961068 FF Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586961069 FF Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)ncc2[nH]1 ZINC000586961125 FF Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)ncc2[nH]1 ZINC000586961128 FF Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cncc(Br)c2[nH]1 ZINC000586961243 FF Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cncc(Br)c2[nH]1 ZINC000586961244 FF Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)cnc2[nH]1 ZINC000586961275 FF Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)cnc2[nH]1 ZINC000586961277 FF Annotated Anodyne N=c1[nH]cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc-2[nH]1 ZINC000586961300 FF Annotated Anodyne N=c1[nH]cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)nc-2[nH]1 ZINC000586961305 FF Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccnc(Br)c2[nH]1 ZINC000586961806 FF Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccnc(Br)c2[nH]1 ZINC000586961807 FF Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586961998 FF Annotated Bother C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586962003 FF Annotated Bother C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586962379 FF Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586962382 FF Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586962393 FF Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586962395 FF Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2c(Br)ccnc2[nH]1 ZINC000586962431 FF Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2c(Br)ccnc2[nH]1 ZINC000586962433 FF Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000586962526 FF Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000586962530 FF Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(Br)nc2[nH]1 ZINC000586962588 FF Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(Br)nc2[nH]1 ZINC000586962589 FF Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 ZINC000586962602 FF Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 ZINC000586962603 FF Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586962661 FF Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586962662 FF Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586962671 FF Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586962674 FF Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000586962715 FF Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000586962727 FF Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 ZINC000586963023 FF Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1 ZINC000586963024 FF Annotated Anodyne CC1=C(c2ccc3nc([C@@H](C)Sc4ncccn4)[nH]c3c2)NNC(=O)C1 ZINC000586963727 FF Annotated Anodyne CC1=C(c2ccc3nc([C@H](C)Sc4ncccn4)[nH]c3c2)NNC(=O)C1 ZINC000586963730 FF Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000586963837 FF Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000586963838 FF Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000586964132 FF Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000586964133 FF Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586964348 FF Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586964349 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CSc3ccccc3C#N)[nH]c2c1 ZINC000586964390 FF Annotated Mild CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(O)cc2[nH]1 ZINC000586964674 FF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cncc(C)c2[nH]1 ZINC000586964782 FF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C)cnc2[nH]1 ZINC000586964815 FF Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc[nH]c(=N)c4[nH]3)n2C)cc1 ZINC000586965028 FF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(C)ccnc2[nH]1 ZINC000586965077 FF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(F)cnc2[nH]1 ZINC000586965113 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CSc3ccccc3C#N)[nH]c12 ZINC000586965156 FF Annotated Mild CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cccc(O)c2[nH]1 ZINC000586965211 FF Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4c(N)ccnc4[nH]3)n2C)cc1 ZINC000586965383 FF Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(=N)[nH]cc4[nH]3)n2C)cc1 ZINC000586965646 FF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(C)nccc2[nH]1 ZINC000586965691 FF Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(C)nc2[nH]1 ZINC000586965781 FF Annotated Anodyne Oc1cc(O)nc(SCc2nc3ccc(Br)c(O)c3[nH]2)n1 ZINC000586966229 FF Annotated Anodyne Oc1cc(O)nc(SCc2nc3ccc(F)c(Br)c3[nH]2)n1 ZINC000586966259 FF Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 ZINC000586966299 FF Annotated Bother O=[N+]([O-])c1cc2nc(CSc3nc(O)cc(O)n3)[nH]c2cc1Cl ZINC000586966301 FF Annotated Bother O=C(O)CSc1ncccc1-c1nc2c(Br)cncc2[nH]1 ZINC000586966307 FF Annotated Anodyne Oc1nc2cc3nc(CSc4nc(-c5cccnc5)no4)[nH]c3cc2[nH]1 ZINC000586966468 FF Annotated Anodyne N#Cc1cc2nc(CSc3nc(O)cc(O)n3)[nH]c2cc1C(F)(F)F ZINC000586966478 FF Annotated Mild CCc1cc(O)nc(SCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)n1 ZINC000586966536 FF Annotated Anodyne Oc1cc(O)nc(SCc2nc3cccc(Br)c3[nH]2)n1 ZINC000586966561 FF Annotated Anodyne Oc1cc(O)nc(SCc2nc3cccc(OC(F)(F)F)c3[nH]2)n1 ZINC000586966567 FF Annotated Anodyne Cc1nc2[nH]c(CSc3nc(O)cc(O)n3)nc2cc1Br ZINC000586966600 FF Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(OC)c(C(=O)OC)cc3[nH]2)n1 ZINC000586966602 FF Annotated Anodyne O=C(O)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 ZINC000586966617 FF Annotated Anodyne OCCc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 ZINC000586966625 FF Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3c(O)nc(O)nc3[nH]2)c(C)c1 ZINC000586966834 FF Annotated Anodyne Oc1cc(O)nc(SCc2nc3ccc(OC(F)(F)F)cc3[nH]2)n1 ZINC000586966850 FF Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(C(=O)OC)c(OC)c3[nH]2)n1 ZINC000586966859 FF Annotated Anodyne O=C(O)c1cccnc1SCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586966974 FF Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc(Br)cc(F)c3[nH]2)n1 ZINC000586967000 FF Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)n1 ZINC000586967050 FF Annotated Anodyne O=[N+]([O-])c1cncc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586967052 FF Annotated Bother Cc1c(Br)cnc2[nH]c(CSc3nc(O)cc(O)n3)nc12 ZINC000586967076 FF Annotated Anodyne Oc1cc(O)nc(SCc2nc3ccc(Br)c(F)c3[nH]2)n1 ZINC000586967101 FF Annotated Anodyne CCc1cc(O)nc(SCc2nc3cnc(C(F)(F)F)[nH]c-3n2)n1 ZINC000586967117 FF Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc(F)cc(Br)c3[nH]2)n1 ZINC000586967128 FF Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3c(O)nc(=N)[nH]c3[nH]2)c(C)c1 ZINC000586967138 FF Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3c[nH]c(=N)[nH]c-3n2)c(C)c1 ZINC000586967160 FF Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586967217 FF Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2c(Br)nccc2[nH]1 ZINC000586967223 FF Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc(Br)c(F)cc3[nH]2)n1 ZINC000586967243 FF Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2nccc(Br)c2[nH]1 ZINC000586967278 FF Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2ncc(Br)cc2[nH]1 ZINC000586967319 FF Annotated Anodyne Oc1cc(O)nc(SCc2nc3ccc(Br)cc3[nH]2)n1 ZINC000586967395 FF Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2nc(Br)ccc2[nH]1 ZINC000586967409 FF Annotated Anodyne O=C(O)c1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586967444 FF Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2cnc(Br)cc2[nH]1 ZINC000586967493 FF Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2cc3c(cc2[nH]1)CCC(=O)N3 ZINC000586967501 FF Annotated Anodyne O=C1CCc2cc3nc(CSc4ncccc4C(=O)O)[nH]c3cc2N1 ZINC000586967823 FF Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3c[nH]c(=N)[nH]c-3n2)cc1Cl ZINC000586967908 FF Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3c(N)ncnc3[nH]2)cc1Cl ZINC000586968317 FF Annotated Anodyne CN(C)C(=O)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 ZINC000586968321 FF Annotated Anodyne CN(C)CCOc1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 ZINC000586968395 FF Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cccnc3SCC(=O)O)nc2c1OC ZINC000586968520 FF Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cnnc(O)c3[nH]2)cc1Cl ZINC000586968543 FF Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3c(O)ncnc3[nH]2)cc1Cl ZINC000586968547 FF Annotated Anodyne [O-][n+]1ccccc1SCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000586968553 FF Annotated Anodyne [O-][n+]1ccccc1SCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586969122 FF Annotated Anodyne Cc1nc2[nH]c(CSc3cccc[n+]3[O-])nc2cc1Br ZINC000586969592 FF Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586969657 FF Annotated Anodyne COC(=O)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1OC ZINC000586969659 FF Annotated Anodyne [O-][n+]1ccccc1SCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000586969774 FF Annotated Anodyne Cc1c(Br)cnc2[nH]c(CSc3cccc[n+]3[O-])nc12 ZINC000586969871 FF Annotated Anodyne COC(C)(C)[C@@H](Br)c1nc2nc(Br)c[nH]c-2n1 ZINC000586970663 FF Annotated Reactive COC(C)(C)[C@H](Br)c1nc2nc(Br)c[nH]c-2n1 ZINC000586970668 FF Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586970735 FF Annotated Reactive COC(C)(C)[C@H](Br)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586970736 FF Annotated Reactive Cc1ccc(CSCCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 ZINC000586970965 FF Annotated Anodyne Cc1ccc(CSCCc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 ZINC000586971160 FF Annotated Anodyne COC(C)(C)[C@H](Br)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586971398 FF Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586971401 FF Annotated Reactive CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586971955 FF Annotated Bother CC(=O)N[C@H](CSCc1ccccc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586971956 FF Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(O)nc(=N)[nH]c2[nH]1 ZINC000586972308 FF Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(CCCCBr)[nH]c12 ZINC000586972485 FF Annotated Reactive CN(C)S(=O)(=O)c1ccc2nc(CCCCBr)[nH]c2c1 ZINC000586972642 FF Annotated Reactive BrC/C=C/c1nc2cc(I)cnc2[nH]1 ZINC000586973248 FF Annotated Reactive BrC/C=C\c1nc2cc(I)cnc2[nH]1 ZINC000586973251 FF Annotated Reactive COc1cc(Br)c([C@H](N)c2nc3cnccc3[nH]2)cc1OC ZINC000586974627 FF Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cnccc3[nH]2)cc1OC ZINC000586974628 FF Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cccnc3[nH]2)cc1OC ZINC000586975028 FF Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cccnc3[nH]2)cc1OC ZINC000586975029 FF Annotated Anodyne Oc1nc(O)c2nc(COc3ccc(Cl)cc3Br)[nH]c2n1 ZINC000586975388 FF Annotated Anodyne Cc1cc(Cc2nc3nc(C#N)c(C#N)nc3[nH]2)ccc1Br ZINC000586975965 FF Annotated Mild N=c1[nH]cc2nc(COc3ccc(Cl)cc3Br)nc-2[nH]1 ZINC000586976356 FF Annotated Anodyne COc1cc(/C=C/c2nc3c(O)nc(O)nc3[nH]2)ccc1Br ZINC000586976671 FF Annotated Anodyne COc1cc(/C=C\c2nc3c(O)nc(O)nc3[nH]2)ccc1Br ZINC000586976673 FF Annotated Anodyne Nc1ncnc2[nH]c(COc3ccc(Cl)cc3Br)nc12 ZINC000586977508 FF Annotated Anodyne Cc1cc(Cc2nc3ccc(C(=O)NN)cc3[nH]2)ccc1Br ZINC000586977816 FF Annotated Reactive Cc1nn(Cc2nc3cc4c(cc3[nH]2)OCCO4)c(C)c1Br ZINC000586978783 FF Annotated Anodyne COC(=O)c1cccc2nc(Cn3nc(C)c(Br)c3C)[nH]c12 ZINC000586978840 FF Annotated Anodyne COC(=O)c1ccc2nc(Cn3nc(C)c(Br)c3C)[nH]c2c1 ZINC000586978845 FF Annotated Anodyne Cc1nn(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)c(C)c1Br ZINC000586978905 FF Annotated Anodyne Cc1ncc(-c2nc3c(O)nc(S)nc3[nH]2)c(C)c1Br ZINC000586978968 FF Annotated Anodyne Cc1nn(Cc2nc3cc(C#N)c(C#N)cc3[nH]2)c(C)c1Br ZINC000586979003 FF Annotated Mild Cc1ncc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(C)c1Br ZINC000586979010 FF Annotated Anodyne Cc1nn(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(C)c1Br ZINC000586979076 FF Annotated Anodyne Cc1nn(Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)c(C)c1Br ZINC000586979078 FF Annotated Anodyne Cc1nn(Cc2nc3c(S)nc(S)nc3[nH]2)c(C)c1Br ZINC000586979229 FF Annotated Anodyne N=c1[nH]c2nc(-c3ccnc(Cl)c3Br)nc-2c(Cl)[nH]1 ZINC000586979256 FF Annotated Anodyne CCOc1n[nH]c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1Br ZINC000586979303 FF Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(CCO)cc3[nH]2)c1Br ZINC000586979318 FF Annotated Anodyne Cc1ncc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c(C)c1Br ZINC000586979342 FF Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1Br ZINC000586979351 FF Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1Br ZINC000586979353 FF Annotated Anodyne Cc1ncc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)c(C)c1Br ZINC000586979397 FF Annotated Mild CCOc1n[nH]c(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c1Br ZINC000586979427 FF Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3ccnc(Cl)c3Br)nc12 ZINC000586979626 FF Annotated Anodyne Cc1c(-c2nc3cnnc(O)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979668 FF Annotated Bother CCOc1n[nH]c(-c2nc3cccc(C(=O)OC)c3[nH]2)c1Br ZINC000586979738 FF Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cnncc2[nH]1 ZINC000586979879 FF Annotated Anodyne N#Cc1nc2nc(-c3ccnc(Cl)c3Br)[nH]c2nc1C#N ZINC000586979900 FF Annotated Mild CCOc1n[nH]c(-c2nc3ccc(C(=O)OC)cc3[nH]2)c1Br ZINC000586980001 FF Annotated Anodyne Cc1c(-c2nc3c(O)ncnc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980051 FF Annotated Bother CCOc1n[nH]c(-c2nc3cc4c(cc3[nH]2)OCO4)c1Br ZINC000586980152 FF Annotated Anodyne CCOc1n[nH]c(-c2nc3cccc(C(=O)O)c3[nH]2)c1Br ZINC000586980192 FF Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(C#N)c(C#N)cc3[nH]2)c1Br ZINC000586980217 FF Annotated Mild CCOc1n[nH]c(-c2nc3ccc(C(=O)O)cc3[nH]2)c1Br ZINC000586980225 FF Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cncnc2[nH]1 ZINC000586980277 FF Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1Br ZINC000586980422 FF Annotated Anodyne CCOc1n[nH]c(-c2nc3cc4c(cc3[nH]2)OCCO4)c1Br ZINC000586980439 FF Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586981093 FF Annotated Mild Cc1cc(Br)ccc1OCc1nc2c(O)nc(S)nc2[nH]1 ZINC000586981101 FF Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000586981790 FF Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3c(O)nc(S)nc3[nH]2)c1 ZINC000586981976 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(Br)cc(C=O)c3)nc12 ZINC000586982042 FF Annotated Anodyne N=c1[nH]c2nc(-c3cc(Br)cc(C=O)c3)nc-2c(Cl)[nH]1 ZINC000586982643 FF Annotated Anodyne COC(=O)c1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cn1 ZINC000586982852 FF Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2n1 ZINC000586983307 FF Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000586983575 FF Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000586983576 FF Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586983612 FF Annotated Bother N[C@H](Cc1cccc(Br)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586983613 FF Annotated Bother CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc[nH]c(=N)c2[nH]1 ZINC000586983838 FF Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(N)ccnc2[nH]1)c1ccc(Br)cc1 ZINC000586984001 FF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(N)ccnc2[nH]1)c1ccc(Br)cc1 ZINC000586984006 FF Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc[nH]c(=N)c2[nH]1)c1ccc(Br)cc1 ZINC000586984033 FF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc[nH]c(=N)c2[nH]1)c1ccc(Br)cc1 ZINC000586984034 FF Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cnncc2[nH]1 ZINC000586984408 FF Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cncnc2[nH]1 ZINC000586984425 FF Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586984518 FF Annotated Bother N[C@@H](Cc1cccc(Br)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586984519 FF Annotated Bother N[C@H](Cc1cccc(Br)c1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000586984829 FF Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000586984830 FF Annotated Anodyne Nc1ncnc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc12 ZINC000586985137 FF Annotated Anodyne Nc1ncnc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc12 ZINC000586985147 FF Annotated Anodyne N=c1[nH]cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)nc-2[nH]1 ZINC000586985196 FF Annotated Anodyne N=c1[nH]cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)nc-2[nH]1 ZINC000586985202 FF Annotated Anodyne CC(=O)N[C@H](Cc1nc2cnncc2[nH]1)c1ccc(Br)cc1 ZINC000586985528 FF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cnncc2[nH]1)c1ccc(Br)cc1 ZINC000586985529 FF Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(N)ccnc2[nH]1 ZINC000586985628 FF Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(=N)[nH]cc2[nH]1 ZINC000586985692 FF Annotated Anodyne CC(=O)N[C@H](Cc1nc2cncnc2[nH]1)c1ccc(Br)cc1 ZINC000586985716 FF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cncnc2[nH]1)c1ccc(Br)cc1 ZINC000586985717 FF Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(=N)[nH]cc2[nH]1)c1ccc(Br)cc1 ZINC000586986034 FF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(=N)[nH]cc2[nH]1)c1ccc(Br)cc1 ZINC000586986035 FF Annotated Anodyne O=C1c2ccccc2-c2cc(Cn3cnc([N+](=O)[O-])n3)nc3ccc(O)c1c23 ZINC000586987856 FF Annotated Bother O=C1c2ccccc2-c2cc(CC(=O)N3CCOCC3)nc3ccc(O)c1c23 ZINC000586987966 FF Annotated Anodyne CN1CCN(CCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC1 ZINC000586988018 FF Annotated Anodyne O=C1c2ccccc2-c2cc(CN3C(=O)CCC3=O)nc3ccc(O)c1c23 ZINC000586988205 FF Annotated Anodyne CN1CCN(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC1 ZINC000586988466 FF Annotated Anodyne C#CCNC(=O)[C@@H]1Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586988598 FF Annotated Mild C#CCNC(=O)[C@H]1Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586988599 FF Annotated Mild O=C1C[C@@H]2Cc3nc4ccc(O)c5c4c(c3[C@H]2CN1)-c1ccccc1C5=O ZINC000586989312 FF Annotated Anodyne O=C1C[C@@H]2Cc3nc4ccc(O)c5c4c(c3[C@@H]2CN1)-c1ccccc1C5=O ZINC000586989313 FF Annotated Anodyne O=C1C[C@H]2Cc3nc4ccc(O)c5c4c(c3[C@H]2CN1)-c1ccccc1C5=O ZINC000586989314 FF Annotated Anodyne O=C1C[C@H]2Cc3nc4ccc(O)c5c4c(c3[C@@H]2CN1)-c1ccccc1C5=O ZINC000586989315 FF Annotated Anodyne Cn1c(O)ncc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1=O ZINC000586989443 FF Annotated Anodyne CCOC(=O)C(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989450 FF Annotated Anodyne O=C1C[C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@H]2CN1 ZINC000586990005 FF Annotated Anodyne O=C1C[C@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@H]2CN1 ZINC000586990007 FF Annotated Anodyne O=C1C[C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@@H]2CN1 ZINC000586990010 FF Annotated Anodyne O=C1C[C@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@@H]2CN1 ZINC000586990012 FF Annotated Anodyne COCCOC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990019 FF Annotated Anodyne COC(=O)[C@@H](C(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990281 FF Annotated Anodyne COC(=O)[C@H](C(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990284 FF Annotated Anodyne CC(=O)Cc1nc2ccc(O)c3c2c(c1CC(=O)O)-c1ccccc1C3=O ZINC000586990627 FF Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@H](C(=O)O)C1)-c1ccccc1C4=O ZINC000586991315 FF Annotated Anodyne O=C1Cc2nc3ccc(O)c4c3c(c2[C@@H](C(=O)O)C1)-c1ccccc1C4=O ZINC000586991320 FF Annotated Anodyne O=C(O)CCc1c(C(=O)O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991365 FF Annotated Anodyne COC(=O)C(=O)[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991541 FF Annotated Anodyne COC(=O)C(=O)[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586991544 FF Annotated Anodyne COC(=O)[C@@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586993219 FF Annotated Anodyne COC(=O)[C@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O ZINC000586993220 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CS(=O)(=O)CC3 ZINC000586994165 FF Annotated Anodyne O=C1COc2cc3[nH]c([C@H](O)c4ccc(Br)cc4)nc3cc2N1 ZINC000586994743 FF Annotated Anodyne Oc1nc2cc3nc([C@H](O)c4ccc(Br)cc4)[nH]c3cc2[nH]1 ZINC000586994753 FF Annotated Anodyne N=c1[nH]c2nc(CCNc3ccc(Br)cc3)nc-2c(Cl)[nH]1 ZINC000586995296 FF Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586995360 FF Annotated Anodyne N#Cc1nc2nc(CCNc3ccc(Br)cc3)[nH]c2nc1C#N ZINC000586995717 FF Annotated Mild O[C@H](c1ccc(Br)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000586995755 FF Annotated Anodyne Oc1nc(S)nc2[nH]c(CCNc3ccc(Br)cc3)nc12 ZINC000586995919 FF Annotated Anodyne N[C@H](Cc1nc2nc(Cl)c[nH]c-2n1)c1ccc(Br)cc1 ZINC000586996295 FF Annotated Anodyne N[C@H](Cc1nc2cnc(Cl)[nH]c-2n1)c1ccc(Br)cc1 ZINC000586996308 FF Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2c(O)nc(=N)[nH]c2[nH]1 ZINC000586996429 FF Annotated Anodyne COC(=O)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2n1 ZINC000586996627 FF Annotated Anodyne COC(=O)c1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cn1 ZINC000586997023 FF Annotated Anodyne N[C@H](Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)c1ccc(Br)cc1 ZINC000586997715 FF Annotated Bother COC(=O)c1ccnc2[nH]c([C@H](O)c3ccc(Br)cc3)nc12 ZINC000586998044 FF Annotated Anodyne N[C@H](Cc1nc2cncc([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1 ZINC000586998066 FF Annotated Bother Oc1ncnc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc12 ZINC000586998454 FF Annotated Anodyne Oc1ncnc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc12 ZINC000586998455 FF Annotated Anodyne Oc1nncc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586999017 FF Annotated Anodyne Oc1nncc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586999018 FF Annotated Anodyne Nc1ncnc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc12 ZINC000586999232 FF Annotated Anodyne Nc1ncnc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc12 ZINC000586999233 FF Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2ncc[nH]c-2n1 ZINC000586999461 FF Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cnnc(O)c2[nH]1 ZINC000586999593 FF Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc4c(cc3[nH]2)OCCO4)n1 ZINC000586999606 FF Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ncc[nH]c-2n1 ZINC000586999613 FF Annotated Anodyne Nc1ncnc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc12 ZINC000586999732 FF Annotated Anodyne Nc1ncnc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc12 ZINC000586999733 FF Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cnncc2[nH]1 ZINC000586999742 FF Annotated Anodyne N=c1cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c[nH]1 ZINC000586999840 FF Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)n1 ZINC000586999943 FF Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)n1 ZINC000586999944 FF Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)n1 ZINC000586999949 FF Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cnncc2[nH]1 ZINC000587000110 FF Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(O)nccc2[nH]1 ZINC000587000162 FF Annotated Anodyne N=c1[nH]ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12 ZINC000587000320 FF Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(C(=O)OC)cc3[nH]2)n1 ZINC000587000344 FF Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(C#N)c(C#N)cc3[nH]2)n1 ZINC000587000785 FF Annotated Mild CCn1cc(Br)c(Cc2nc3c(S)nc(S)nc3[nH]2)n1 ZINC000587000825 FF Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)n1 ZINC000587000845 FF Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cncnc2[nH]1 ZINC000587000874 FF Annotated Anodyne Nc1ccnc2[nH]c(CCn3ncc4cc(Br)ccc43)nc12 ZINC000587000922 FF Annotated Anodyne N=c1cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c[nH]1 ZINC000587001227 FF Annotated Anodyne Nc1ccnc2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c12 ZINC000587001416 FF Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2ncncc2[nH]1 ZINC000587001420 FF Annotated Anodyne CCn1cc(Br)c(Cc2nc3cccc(C(=O)OC)c3[nH]2)n1 ZINC000587001536 FF Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)n1 ZINC000587001541 FF Annotated Anodyne N=c1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c[nH]1 ZINC000587001701 FF Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cnccc2[nH]1 ZINC000587001795 FF Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c(O)ncnc2[nH]1 ZINC000587001987 FF Annotated Anodyne N=c1[nH]c2nc(-c3ccnc4[nH]cc(Br)c34)nc-2c(Cl)[nH]1 ZINC000587002355 FF Annotated Anodyne N=c1[nH]ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c12 ZINC000587002418 FF Annotated Anodyne CCCn1cnc2cc(-c3nc4c[nH]c(=N)[nH]c-4n3)cc(Br)c21 ZINC000587003310 FF Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cccnc2[nH]1 ZINC000587003371 FF Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 ZINC000587003448 FF Annotated Anodyne O=C1C[C@@H](Cc2nc3cnncc3[nH]2)c2c(Br)cccc2O1 ZINC000587003461 FF Annotated Anodyne O=C1C[C@H](Cc2nc3cnncc3[nH]2)c2c(Br)cccc2O1 ZINC000587003464 FF Annotated Anodyne N=c1[nH]ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587003700 FF Annotated Anodyne O=C1C[C@@H](Cc2nc3cncnc3[nH]2)c2c(Br)cccc2O1 ZINC000587003804 FF Annotated Anodyne O=C1C[C@H](Cc2nc3cncnc3[nH]2)c2c(Br)cccc2O1 ZINC000587003809 FF Annotated Anodyne N=c1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c[nH]1 ZINC000587003974 FF Annotated Anodyne N=c1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c[nH]1 ZINC000587003978 FF Annotated Anodyne N=c1[nH]ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 ZINC000587004228 FF Annotated Anodyne N=c1[nH]ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 ZINC000587004230 FF Annotated Anodyne O=C1C[C@@H](Cc2nc3ncc[nH]c-3n2)c2c(Br)cccc2O1 ZINC000587004590 FF Annotated Anodyne O=C1C[C@H](Cc2nc3ncc[nH]c-3n2)c2c(Br)cccc2O1 ZINC000587004594 FF Annotated Anodyne Nc1ccnc2[nH]c(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc12 ZINC000587004601 FF Annotated Anodyne Nc1ccnc2[nH]c(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc12 ZINC000587004603 FF Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)c2o1 ZINC000587004679 FF Annotated Anodyne N#Cc1nc2nc(-c3nc(Br)ccc3Cl)[nH]c2nc1C#N ZINC000587005036 FF Annotated Mild Oc1nc(S)nc2[nH]c(-c3nc(Br)ccc3Cl)nc12 ZINC000587005158 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3nc(Cl)cnc3Br)nc12 ZINC000587005192 FF Annotated Anodyne N=c1[nH]c2nc(-c3nc(Br)ccc3Cl)nc-2c(Cl)[nH]1 ZINC000587005335 FF Annotated Anodyne OCCc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 ZINC000587005593 FF Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3nc(Cl)cnc3Br)[nH]c12 ZINC000587005740 FF Annotated Bother COC(=O)c1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cn1 ZINC000587005774 FF Annotated Anodyne N=c1[nH]c2nc(-c3ccnc(Br)c3Cl)nc-2c(Cl)[nH]1 ZINC000587005788 FF Annotated Anodyne COC(=O)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2n1 ZINC000587005843 FF Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 ZINC000587005856 FF Annotated Bother N#Cc1nc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2nc1C#N ZINC000587006027 FF Annotated Mild O=[N+]([O-])c1cnc2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 ZINC000587006042 FF Annotated Bother Oc1nc(S)nc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc12 ZINC000587006311 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cnn4cccc(Br)c34)nc12 ZINC000587006395 FF Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2n1 ZINC000587006708 FF Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587007031 FF Annotated Mild CN(C)S(=O)(=O)c1cccc2[nH]c(-c3ccc(Br)o3)nc12 ZINC000587007131 FF Annotated Anodyne N#Cc1nc2nc(-c3ccnc(Br)c3Cl)[nH]c2nc1C#N ZINC000587007204 FF Annotated Mild O=[N+]([O-])c1cncc2[nH]c(-c3cccn4c(Br)cnc34)nc12 ZINC000587007405 FF Annotated Bother CC(C)(NC(=O)CCl)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587007408 FF Annotated Reactive COC(=O)c1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cn1 ZINC000587007445 FF Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cnn4cccc(Br)c34)[nH]c12 ZINC000587007500 FF Annotated Bother COC(=O)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2n1 ZINC000587007506 FF Annotated Anodyne COC(=O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587007656 FF Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587007660 FF Annotated Bother Brc1cnc2c(-c3nc4cc5c(cc4[nH]3)OCO5)cnn2c1 ZINC000587007661 FF Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cn1 ZINC000587007746 FF Annotated Anodyne CC(C)(NC(=O)CCl)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587007958 FF Annotated Reactive Oc1nc2cc3nc(-c4cnn5cc(Br)cnc45)[nH]c3cc2[nH]1 ZINC000587008108 FF Annotated Anodyne COC(=O)c1cccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587008173 FF Annotated Anodyne N#Cc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1C#N ZINC000587008284 FF Annotated Mild COC(=O)c1ccnc2nc(-c3cccn4c(Br)cnc34)[nH]c12 ZINC000587008293 FF Annotated Anodyne O=[N+]([O-])c1cnc2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 ZINC000587008391 FF Annotated Bother N=c1[nH]c2nc(-c3ccc4[nH]nc(Br)c4c3)nc-2c(Cl)[nH]1 ZINC000587008422 FF Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3ccnc(Br)c3Cl)nc12 ZINC000587008440 FF Annotated Anodyne O=C(O)c1cccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587008691 FF Annotated Anodyne CC(C)(NC(=O)CCl)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587008718 FF Annotated Reactive O=[N+]([O-])c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587008741 FF Annotated Bother N[C@H](N=O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587008822 FF Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587008830 FF Annotated Anodyne OCCc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587008831 FF Annotated Anodyne Brc1cnc2c(-c3nc4cc5c(cc4[nH]3)OCCO5)cnn2c1 ZINC000587009014 FF Annotated Anodyne Brc1cnc2c(-c3nc4cc5cn[nH]c5cc4[nH]3)cnn2c1 ZINC000587009027 FF Annotated Anodyne O=C(O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587009207 FF Annotated Anodyne CC(C)(NC(=O)CCl)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587009280 FF Annotated Reactive CC(C)(NC(=O)CCl)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587009599 FF Annotated Reactive CC(C)(NC(=O)CCl)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587009827 FF Annotated Reactive N[C@H](CCl)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587009951 FF Annotated Reactive CC1=C(c2ccc3nc(Cc4sc(C)nc4C)[nH]c3c2)NNC(=O)C1 ZINC000587010756 FF Annotated Anodyne COC(=O)c1cc2nc(-c3sc(Br)nc3C)[nH]c2cn1 ZINC000587010949 FF Annotated Anodyne COC(=O)c1ccc2nc(-c3sc(Br)nc3C)[nH]c2n1 ZINC000587011176 FF Annotated Anodyne Cc1nc(Br)sc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587011919 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3sc(Br)nc3C)nc12 ZINC000587012555 FF Annotated Anodyne N#Cc1nc2nc(-c3nc(Br)sc3C3CC3)[nH]c2nc1C#N ZINC000587012886 FF Annotated Mild CCCc1sc(=N)[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587013135 FF Annotated Anodyne Oc1nc(O)c2nc(-c3nc(Br)sc3C3CC3)[nH]c2n1 ZINC000587013401 FF Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)s1 ZINC000587013747 FF Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)s1 ZINC000587013749 FF Annotated Anodyne CCCc1sc(=N)[nH]c1-c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587013851 FF Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(N)c(N)cc3[nH]2)cs1 ZINC000587014821 FF Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)cs2)o1 ZINC000587016138 FF Annotated Anodyne Nc1ncnc2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc12 ZINC000587016467 FF Annotated Anodyne c1c[nH]c2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc-2n1 ZINC000587016796 FF Annotated Anodyne NS(=O)(=O)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 ZINC000587016873 FF Annotated Anodyne NS(=O)(=O)c1cccc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 ZINC000587016885 FF Annotated Anodyne N=c1[nH]ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 ZINC000587017313 FF Annotated Anodyne N#Cc1nc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2nc1C#N ZINC000587017411 FF Annotated Mild N#Cc1nc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2nc1C#N ZINC000587017433 FF Annotated Mild Oc1nncc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c12 ZINC000587017512 FF Annotated Anodyne O=S(=O)(O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 ZINC000587017723 FF Annotated Anodyne O=S(=O)(O)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 ZINC000587017724 FF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3csc(O)n3)nc2c1 ZINC000587017952 FF Annotated Anodyne Oc1ncnc2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc12 ZINC000587018250 FF Annotated Anodyne N=c1[nH]cc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc-2[nH]1 ZINC000587018328 FF Annotated Anodyne Oc1nncc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 ZINC000587018739 FF Annotated Anodyne O=C(Nc1nc(Cc2nc3cnccc3[nH]2)cs1)c1cccc(O)c1 ZINC000587018829 FF Annotated Anodyne O=C(Nc1nc(Cc2nc3ccnc(O)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587019091 FF Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3ncc[nH]c-3n2)cs1 ZINC000587019105 FF Annotated Anodyne Nc1ccnc2[nH]c(Cc3csc(NC(=O)c4cccs4)n3)nc12 ZINC000587019146 FF Annotated Anodyne O=C(Nc1nc(Cc2nc3cccnc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019258 FF Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3c(O)ncnc3[nH]2)cs1 ZINC000587019274 FF Annotated Anodyne Nc1ncnc2[nH]c(Cc3csc(NC(=O)Nc4ccccc4)n3)nc12 ZINC000587019486 FF Annotated Anodyne N=c1[nH]ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c12 ZINC000587019489 FF Annotated Anodyne N=c1cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2c[nH]1 ZINC000587019759 FF Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cnnc(O)c3[nH]2)cs1 ZINC000587019818 FF Annotated Anodyne Nc1ccnc2[nH]c(Cc3csc(NC(=O)c4cccc(O)c4)n3)nc12 ZINC000587020070 FF Annotated Anodyne Cc1nc(COc2cccc(-c3nc4c(O)nc(O)nc4[nH]3)c2)cs1 ZINC000587020437 FF Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)s2)cn1 ZINC000587020735 FF Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3cc(I)cnc3[nH]2)s1 ZINC000587020881 FF Annotated Anodyne C[C@H](O)c1ncc(-c2nc3cc(I)cnc3[nH]2)s1 ZINC000587020884 FF Annotated Anodyne N=c1[nH]c(-c2cccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2)cs1 ZINC000587021050 FF Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cs1 ZINC000587021128 FF Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)s1 ZINC000587021145 FF Annotated Anodyne C[C@H](O)c1ncc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)s1 ZINC000587021152 FF Annotated Anodyne COC(=O)c1ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2c1OC ZINC000587021259 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cccc(-c4csc(=N)[nH]4)c3)nc12 ZINC000587021446 FF Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c12 ZINC000587021532 FF Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)s2)cn1 ZINC000587021543 FF Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cnc(-c4cnn(C)c4)s3)nc2cc1OC ZINC000587021575 FF Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c2n1 ZINC000587021598 FF Annotated Anodyne Cn1cc(-c2ncc(-c3nc4nc(Br)c[nH]c-4n3)s2)cn1 ZINC000587021608 FF Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2c1 ZINC000587022023 FF Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)s2)cn1 ZINC000587022349 FF Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(-c3cnc(C#N)s3)[nH]c2c1 ZINC000587022626 FF Annotated Mild N#Cc1ncc(-c2nc3cc(I)cnc3[nH]2)s1 ZINC000587022804 FF Annotated Mild CC(C)(C)OC(=O)Nc1cnc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)s1 ZINC000587022854 FF Annotated Mild CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3cccc(C#N)c3[nH]2)s1 ZINC000587023420 FF Annotated Mild CC(=O)c1ccc2nc(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)[nH]c2c1 ZINC000587023429 FF Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)s1 ZINC000587023433 FF Annotated Anodyne O=C(CCc1nc2cc(F)cnc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023473 FF Annotated Anodyne CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3c(Cl)ccnc3[nH]2)s1 ZINC000587023484 FF Annotated Anodyne COc1ccc2nc(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)[nH]c2c1 ZINC000587023492 FF Annotated Anodyne COc1cccc2nc(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)[nH]c12 ZINC000587023534 FF Annotated Anodyne CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3ccnc(Cl)c3[nH]2)s1 ZINC000587023758 FF Annotated Anodyne CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3ccc(C#N)cc3[nH]2)s1 ZINC000587023834 FF Annotated Mild CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(O)nc(S)nc3[nH]2)s1 ZINC000587023871 FF Annotated Anodyne CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3cc(Cl)cnc3[nH]2)s1 ZINC000587024073 FF Annotated Anodyne Cc1nccc2[nH]c(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc12 ZINC000587024215 FF Annotated Anodyne CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3cc4cn[nH]c4cc3[nH]2)s1 ZINC000587024260 FF Annotated Anodyne Cc1cncc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c12 ZINC000587024284 FF Annotated Anodyne O=C(CCc1nc2ccc(O)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024285 FF Annotated Anodyne CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3cc(Cl)ncc3[nH]2)s1 ZINC000587024297 FF Annotated Anodyne Cc1cc2[nH]c(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)nc2c(C)n1 ZINC000587024328 FF Annotated Anodyne CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3cncc(Cl)c3[nH]2)s1 ZINC000587024341 FF Annotated Anodyne CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3ccc(Cl)nc3[nH]2)s1 ZINC000587024394 FF Annotated Anodyne O=C(CCc1nc2cccc(O)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024416 FF Annotated Anodyne CN(C)CCOc1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 ZINC000587024528 FF Annotated Anodyne Cc1ccnc2[nH]c(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc12 ZINC000587024671 FF Annotated Anodyne N[C@H](c1ccsc1)c1nc2cc(I)cnc2[nH]1 ZINC000587025234 FF Annotated Anodyne N[C@@H](c1ccsc1)c1nc2cc(I)cnc2[nH]1 ZINC000587025237 FF Annotated Anodyne CN(C)C(=O)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 ZINC000587025296 FF Annotated Anodyne N[C@H](c1ccsc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587025465 FF Annotated Anodyne N[C@@H](c1ccsc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587025470 FF Annotated Anodyne FC(F)(F)c1ncc2nc(CSc3nnc(S)s3)nc-2[nH]1 ZINC000587025471 FF Annotated Anodyne COC(=O)c1cc2[nH]c(CSc3nnc(S)s3)nc2cc1OC ZINC000587025625 FF Annotated Anodyne Cc1cnc2[nH]c(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc2c1 ZINC000587025767 FF Annotated Anodyne N[C@H](c1ccsc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587025913 FF Annotated Anodyne N[C@@H](c1ccsc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587025920 FF Annotated Anodyne Cc1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2n1 ZINC000587026111 FF Annotated Anodyne COC(=O)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1OC ZINC000587026179 FF Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587026186 FF Annotated Anodyne O=[N+]([O-])c1cc2nc(CSc3nnc(S)s3)[nH]c2cc1[N+](=O)[O-] ZINC000587026657 FF Annotated Bother Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587026935 FF Annotated Reactive CCCCNS(=O)(=O)c1ccc2nc([C@@H](N)c3ccsc3)[nH]c2c1 ZINC000587026971 FF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](N)c3ccsc3)[nH]c2c1 ZINC000587026973 FF Annotated Anodyne N[C@H](Cc1cscn1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587027334 FF Annotated Bother N#Cc1cc2nc(CNC(=O)c3cscn3)[nH]c2cc1C(F)(F)F ZINC000587027345 FF Annotated Mild O=C(NCc1nc2c(Cl)c(Br)cnc2[nH]1)c1cscn1 ZINC000587027350 FF Annotated Anodyne O=C(NCc1nc2cc(Br)c(F)c(F)c2[nH]1)c1cscn1 ZINC000587027389 FF Annotated Anodyne N[C@H](Cc1cscn1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587027424 FF Annotated Bother O=C(NCc1nc2cc(Br)c(F)cc2[nH]1)c1cscn1 ZINC000587027462 FF Annotated Anodyne O=C(NCc1nc2cc(F)cc(Br)c2[nH]1)c1cscn1 ZINC000587027468 FF Annotated Anodyne O=C(NCc1nc2ccc(Br)c(F)c2[nH]1)c1cscn1 ZINC000587027793 FF Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587027798 FF Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CNC(=O)c3cscn3)nc2c1 ZINC000587027820 FF Annotated Mild CC1=C(c2ccc3nc(CCc4scnc4C)[nH]c3c2)NNC(=O)C1 ZINC000587028030 FF Annotated Anodyne O=C(NCc1nc2ccc(F)c(Br)c2[nH]1)c1cscn1 ZINC000587028238 FF Annotated Anodyne O=C(NCc1nc2c(Br)cnc(Cl)c2[nH]1)c1cscn1 ZINC000587028578 FF Annotated Anodyne N[C@H](Cc1cscn1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587028769 FF Annotated Anodyne Nc1ccc(-c2ccc3nc(CNC(=O)c4cscn4)[nH]c3c2)cc1N ZINC000587028794 FF Annotated Anodyne O=C(NCc1nc2cc(Br)cc(F)c2[nH]1)c1cscn1 ZINC000587028831 FF Annotated Anodyne Cc1c(-c2nc3cc(N)c(N)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029124 FF Annotated Anodyne N[C@H](Cc1cscn1)c1nc2ccc(I)cc2[nH]1 ZINC000587029254 FF Annotated Anodyne N#Cc1nc2nc(-c3ccccc3OCc3cscn3)[nH]c2nc1C#N ZINC000587029272 FF Annotated Mild Cc1c(-c2nc3nc(=N)[nH]c(Cl)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029889 FF Annotated Anodyne N[C@H](Cc1cscn1)c1nc2cccc(I)c2[nH]1 ZINC000587029975 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3csc4c3CCOC4)[nH]c12 ZINC000587031524 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 ZINC000587032138 FF Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c[nH]c(=N)[nH]c-4n3)c2C1 ZINC000587032826 FF Annotated Anodyne N=c1[nH]cc2nc(-c3sc4cc(Br)ccc4c3N)nc-2[nH]1 ZINC000587032954 FF Annotated Anodyne CN(C)C(=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 ZINC000587033876 FF Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(N)ncnc4[nH]3)c2C1 ZINC000587033912 FF Annotated Anodyne O=C(NCc1nc2cc(C(=O)O)c(F)cc2[nH]1)c1cc2c(s1)CCC2 ZINC000587033922 FF Annotated Anodyne O=S(=O)(O)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587034003 FF Annotated Anodyne O=S(=O)(O)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 ZINC000587034006 FF Annotated Anodyne O=C(NCc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1cc2c(s1)CCC2 ZINC000587034216 FF Annotated Anodyne O=C1CCc2cc3nc(CNC(=O)c4cc5c(s4)CCC5)[nH]c3cc2N1 ZINC000587034246 FF Annotated Anodyne O=C(NCc1nc2cc(F)cc(C(=O)O)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587034758 FF Annotated Anodyne COC(=O)c1cccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c12 ZINC000587034763 FF Annotated Anodyne O=C(NCc1nc2cc3c(cc2[nH]1)OCCO3)c1cc2c(s1)CCC2 ZINC000587035112 FF Annotated Anodyne N#Cc1nc(Cl)cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c12 ZINC000587035175 FF Annotated Mild O=C(NCc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1cc2c(s1)CCC2 ZINC000587035668 FF Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 ZINC000587035757 FF Annotated Anodyne N[C@H](N=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 ZINC000587035758 FF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3SCCc4sccc43)[nH]c12 ZINC000587036672 FF Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H]3SCCc4sccc43)[nH]c12 ZINC000587036673 FF Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 ZINC000587036929 FF Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 ZINC000587036931 FF Annotated Anodyne COc1cncc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c12 ZINC000587037128 FF Annotated Anodyne COc1cncc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c12 ZINC000587037129 FF Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(CO)cc4[nH]3)cc12 ZINC000587037305 FF Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(CO)cc4[nH]3)cc12 ZINC000587037306 FF Annotated Anodyne Brc1c[nH]c2nc(C[C@H]3OCCc4ccsc43)nc-2n1 ZINC000587037885 FF Annotated Anodyne Brc1c[nH]c2nc(C[C@@H]3OCCc4ccsc43)nc-2n1 ZINC000587037886 FF Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2nc(Cl)ncc2[nH]1 ZINC000587037957 FF Annotated Anodyne COc1ccc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2n1 ZINC000587038098 FF Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cc(Br)ncc3[nH]2)C1=O ZINC000587038112 FF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(Br)ncc3[nH]2)C1=O ZINC000587038113 FF Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C1=O ZINC000587038245 FF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C1=O ZINC000587038246 FF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)C1=O ZINC000587038303 FF Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)C1=O ZINC000587038304 FF Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(C(F)(F)F)ncc3[nH]2)C1=O ZINC000587038311 FF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(C(F)(F)F)ncc3[nH]2)C1=O ZINC000587038312 FF Annotated Mild COc1ccc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2n1 ZINC000587038315 FF Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3cc4c(cc3[nH]2)OCCCO4)C1=O ZINC000587038382 FF Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc4c(cc3[nH]2)OCCCO4)C1=O ZINC000587038383 FF Annotated Mild Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(F)cnc4[nH]3)cc12 ZINC000587038401 FF Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(F)cnc4[nH]3)cc12 ZINC000587038404 FF Annotated Anodyne COc1cc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cn1 ZINC000587038439 FF Annotated Anodyne COc1cc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cn1 ZINC000587038440 FF Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(CCO)ccc2[nH]1 ZINC000587038501 FF Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C1=O ZINC000587038808 FF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C1=O ZINC000587038809 FF Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(C(=O)OCC)cc3[nH]2)C1=O ZINC000587038835 FF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(C(=O)OCC)cc3[nH]2)C1=O ZINC000587038837 FF Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(Br)cnc3[nH]2)C1=O ZINC000587038882 FF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(Br)cnc3[nH]2)C1=O ZINC000587038884 FF Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(Br)nc3[nH]2)C1=O ZINC000587039107 FF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(Br)nc3[nH]2)C1=O ZINC000587039108 FF Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3c(Br)ccnc3[nH]2)C1=O ZINC000587039152 FF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3c(Br)ccnc3[nH]2)C1=O ZINC000587039154 FF Annotated Mild CC1=C(c2ccc3nc(Cc4csc5nccn45)[nH]c3c2)NNC(=O)C1 ZINC000587039267 FF Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2ncc([N+](=O)[O-])cc2[nH]1 ZINC000587039396 FF Annotated Bother C=CCN1C(=O)S[C@H](Cc2nc3ccnc(Br)c3[nH]2)C1=O ZINC000587039465 FF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccnc(Br)c3[nH]2)C1=O ZINC000587039467 FF Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(C(F)(F)F)cnc3[nH]2)C1=O ZINC000587039473 FF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(C(F)(F)F)cnc3[nH]2)C1=O ZINC000587039475 FF Annotated Mild CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc[nH]c(=N)c3[nH]2)cc1 ZINC000587039498 FF Annotated Anodyne COc1nccc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c12 ZINC000587039502 FF Annotated Anodyne COc1nccc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c12 ZINC000587039504 FF Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc[nH]c(=N)c3[nH]2)cc1 ZINC000587039506 FF Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587039562 FF Annotated Bother CC(C)(C)OC(=O)Nc1snnc1-c1nc2ncnc(Cl)c2[nH]1 ZINC000587039631 FF Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2c([N+](=O)[O-])cncc2[nH]1 ZINC000587039652 FF Annotated Bother CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587039680 FF Annotated Anodyne COC(=O)c1cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587039694 FF Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2n1 ZINC000587039710 FF Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587039808 FF Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cncc(Br)c3[nH]2)C1=O ZINC000587039876 FF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cncc(Br)c3[nH]2)C1=O ZINC000587039877 FF Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)C1=O ZINC000587039897 FF Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)C1=O ZINC000587039898 FF Annotated Mild CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(N)ccnc3[nH]2)cc1 ZINC000587040068 FF Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(N)ccnc3[nH]2)cc1 ZINC000587040070 FF Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccnc(O)c3[nH]2)cc1 ZINC000587040086 FF Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccnc(O)c3[nH]2)cc1 ZINC000587040092 FF Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cnncc3[nH]2)cc1 ZINC000587040202 FF Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cnncc3[nH]2)cc1 ZINC000587040207 FF Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ncc[nH]c-3n2)cc1 ZINC000587040566 FF Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ncc[nH]c-3n2)cc1 ZINC000587040567 FF Annotated Anodyne c1cn2c(Cc3nc4ccc(CN5CCOCC5)cc4[nH]3)csc2n1 ZINC000587040833 FF Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(=N)[nH]cc3[nH]2)cc1 ZINC000587041002 FF Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(=N)[nH]cc3[nH]2)cc1 ZINC000587041003 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3CSCN3C(=O)OC(C)(C)C)nc12 ZINC000587041013 FF Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c(S)nc(S)nc2[nH]1 ZINC000587041090 FF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587041113 FF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587041114 FF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2nc(Br)c[nH]c-2n1 ZINC000587041179 FF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2nc(Br)c[nH]c-2n1 ZINC000587041203 FF Annotated Anodyne CN1CCN(c2ccc3nc(Cc4csc5nccn45)[nH]c3c2)CC1 ZINC000587041257 FF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587041434 FF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587041437 FF Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587041504 FF Annotated Bother CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cncnc3[nH]2)cc1 ZINC000587041600 FF Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cncnc3[nH]2)cc1 ZINC000587041601 FF Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 ZINC000587041744 FF Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 ZINC000587041747 FF Annotated Anodyne NC(=O)c1cccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 ZINC000587041769 FF Annotated Anodyne NC(=O)c1cccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 ZINC000587041770 FF Annotated Anodyne COC(=O)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587041943 FF Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587041944 FF Annotated Anodyne COC(=O)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587041945 FF Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587041946 FF Annotated Anodyne O=C1CSC[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)N1 ZINC000587042224 FF Annotated Anodyne O=C1CSC[C@@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)N1 ZINC000587042225 FF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2c(S)nc(S)nc2[nH]1 ZINC000587042938 FF Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2c(S)nc(S)nc2[nH]1 ZINC000587042944 FF Annotated Anodyne O=C1COc2cc3[nH]c([C@H]4CS[C@H](Cc5ccccc5)N4)nc3cc2N1 ZINC000587043108 FF Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4CS[C@H](Cc5ccccc5)N4)nc3cc2N1 ZINC000587043109 FF Annotated Anodyne O=C1COc2cc3[nH]c([C@H]4CS[C@@H](Cc5ccccc5)N4)nc3cc2N1 ZINC000587043111 FF Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4CS[C@@H](Cc5ccccc5)N4)nc3cc2N1 ZINC000587043113 FF Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2c1 ZINC000587043220 FF Annotated Anodyne Sc1nc(S)c2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587043247 FF Annotated Anodyne Sc1nc(S)c2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587043255 FF Annotated Anodyne Sc1nc(S)c2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587043258 FF Annotated Anodyne Sc1nc(S)c2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2n1 ZINC000587043259 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc12 ZINC000587043277 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc12 ZINC000587043278 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc12 ZINC000587043280 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc12 ZINC000587043282 FF Annotated Anodyne Oc1nc(O)c2nc(COc3ccccc3C3SCCS3)[nH]c2n1 ZINC000587043334 FF Annotated Anodyne COC(=O)c1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cn1 ZINC000587043435 FF Annotated Anodyne COC(=O)c1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cn1 ZINC000587043436 FF Annotated Anodyne COC(=O)c1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cn1 ZINC000587043437 FF Annotated Anodyne COC(=O)c1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cn1 ZINC000587043438 FF Annotated Anodyne O=C1CSc2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2N1 ZINC000587044343 FF Annotated Anodyne N=c1nc(O)c2nc(COc3ccccc3C3SCCS3)[nH]c2[nH]1 ZINC000587044535 FF Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000587044923 FF Annotated Anodyne COc1cc(-c2nc3c(O)nc(=N)[nH]c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046643 FF Annotated Anodyne N#Cc1nc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2nc1C#N ZINC000587047480 FF Annotated Mild N#Cc1nc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2nc1C#N ZINC000587047481 FF Annotated Mild NNC(=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587048661 FF Annotated Reactive NNC(=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587048662 FF Annotated Reactive CN(C)C(=O)c1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1 ZINC000587052352 FF Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587052413 FF Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587052654 FF Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587052756 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(O)cc3Cl)[nH]c12 ZINC000587053762 FF Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ncc[nH]c-2n1 ZINC000587057444 FF Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ncc[nH]c-2n1 ZINC000587057445 FF Annotated Bother CN(C)S(=O)(=O)c1cccc2nc([C@@H](O)c3ccccc3Cl)[nH]c12 ZINC000587057485 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](O)c3ccccc3Cl)[nH]c12 ZINC000587057494 FF Annotated Anodyne N[C@H](Cc1nc2nc(Br)c[nH]c-2n1)c1ccccc1Cl ZINC000587058805 FF Annotated Anodyne N[C@@H](Cc1nc2nc(Br)c[nH]c-2n1)c1ccccc1Cl ZINC000587058807 FF Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2nc(Br)c[nH]c-2n1 ZINC000587059823 FF Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3c(N)ncnc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061110 FF Annotated Anodyne N=c1nc(-c2ccccc2Cl)c(-c2nc3c(O)nc(S)nc3[nH]2)c[nH]1 ZINC000587061604 FF Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cnnc(O)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061608 FF Annotated Anodyne N=c1nc(-c2ccccc2Cl)c(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c[nH]1 ZINC000587061636 FF Annotated Anodyne N=c1nc(-c2ccccc2Cl)c(-c2nc3cc(N)c(N)cc3[nH]2)c[nH]1 ZINC000587061749 FF Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3c(O)ncnc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062420 FF Annotated Anodyne Cc1onc(-c2nc3nc(=N)[nH]cc3[nH]2)c1COc1ccccc1Cl ZINC000587062857 FF Annotated Anodyne Cc1onc(-c2nc3c(O)nc(O)nc3[nH]2)c1COc1ccccc1Cl ZINC000587062878 FF Annotated Anodyne Cc1onc(-c2nc3c(O)nc(=N)[nH]c3[nH]2)c1COc1ccccc1Cl ZINC000587063723 FF Annotated Anodyne O=c1cccc(-c2nc3ncc[nH]c-3n2)n1CCOc1ccccc1Cl ZINC000587064023 FF Annotated Anodyne O=c1cccc(-c2nc3ncncc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064100 FF Annotated Anodyne COc1cnc(-c2nc3cc(S(=O)(=O)N(C)C)ccc3[nH]2)cc1Cl ZINC000587064564 FF Annotated Anodyne Cc1nn(-c2cccc(-c3nc4c(O)nc(O)nc4[nH]3)c2)c(C)c1Cl ZINC000587064807 FF Annotated Anodyne O=c1cccc(-c2nc3cnncc3[nH]2)n1CCOc1ccccc1Cl ZINC000587065135 FF Annotated Anodyne N=c1nc(O)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2[nH]1 ZINC000587065338 FF Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)c1Cl ZINC000587065440 FF Annotated Anodyne CCOc1n[nH]c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1Cl ZINC000587065451 FF Annotated Bother Cc1nn(-c2cccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)c2)c(C)c1Cl ZINC000587065506 FF Annotated Anodyne COc1cnc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)cc1Cl ZINC000587065564 FF Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)c1Cl ZINC000587065663 FF Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c1Cl ZINC000587065673 FF Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587066818 FF Annotated Bother COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(C(N)=O)c2[nH]1 ZINC000587066980 FF Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587067314 FF Annotated Bother N=c1nc(O)c2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2[nH]1 ZINC000587067907 FF Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587068706 FF Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587068709 FF Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587068726 FF Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587068727 FF Annotated Anodyne NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587068739 FF Annotated Anodyne NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587068740 FF Annotated Anodyne Cc1c(-c2nc3cc(N)c(N)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073146 FF Annotated Anodyne Cc1c(-c2nc3c(O)nc(S)nc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074754 FF Annotated Anodyne COC(=O)c1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cn1 ZINC000587074944 FF Annotated Anodyne Clc1ccc(C2=C[C@@H](c3nc4ccc(-n5cnnn5)cc4[nH]3)ON2)cc1 ZINC000587074994 FF Annotated Anodyne Clc1ccc(C2=C[C@H](c3nc4ccc(-n5cnnn5)cc4[nH]3)ON2)cc1 ZINC000587074995 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc12 ZINC000587075046 FF Annotated Anodyne Cc1onc(-c2nc3nc(=N)[nH]cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075490 FF Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587075608 FF Annotated Mild Cc1c(-c2nc3nc(C#N)c(C#N)nc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075957 FF Annotated Mild N=c1nc(O)c2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2[nH]1 ZINC000587076017 FF Annotated Anodyne O=C1COc2cc3[nH]c(-c4cn(-c5ccc(Cl)cc5)nn4)nc3cc2N1 ZINC000587076328 FF Annotated Anodyne COC(=O)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2n1 ZINC000587076346 FF Annotated Anodyne Sc1nc(S)c2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2n1 ZINC000587076850 FF Annotated Anodyne Cc1onc(-c2nc3c(O)nc(O)nc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076898 FF Annotated Anodyne Cc1onc(-c2nc3c(O)nc(=N)[nH]c3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076909 FF Annotated Anodyne Oc1nc(O)c2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2n1 ZINC000587077081 FF Annotated Anodyne Oc1nc(S)nc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc12 ZINC000587077702 FF Annotated Anodyne N=c1nc(O)c2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2[nH]1 ZINC000587078183 FF Annotated Clean NS(=O)(=O)c1cccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c12 ZINC000587078736 FF Annotated Anodyne N=c1[nH]c2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc-2c(Cl)[nH]1 ZINC000587079004 FF Annotated Anodyne N=c1[nH]c2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)nc-2c(Cl)[nH]1 ZINC000587079007 FF Annotated Anodyne Cc1onc(-c2nc3ccncc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079057 FF Annotated Bother Cc1onc(-c2nc3ncccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079206 FF Annotated Bother COC(=O)c1cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2cn1 ZINC000587080493 FF Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587080570 FF Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587080574 FF Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)n1 ZINC000587080593 FF Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)n1 ZINC000587080595 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c(CCCC(=O)c3ccc(Cl)cn3)nc12 ZINC000587080734 FF Annotated Anodyne COC(=O)c1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2n1 ZINC000587080894 FF Annotated Anodyne N=c1nc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c[nH]1 ZINC000587080952 FF Annotated Anodyne NNC(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 ZINC000587081210 FF Annotated Reactive NNC(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 ZINC000587081214 FF Annotated Reactive NS(=O)(=O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 ZINC000587081284 FF Annotated Anodyne Nc1ncnc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c12 ZINC000587081889 FF Annotated Anodyne N=c1[nH]c2nc(CCCC(=O)c3ccc(Cl)cn3)nc-2c(Cl)[nH]1 ZINC000587081897 FF Annotated Anodyne O=C(CCCc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(Cl)cn1 ZINC000587081901 FF Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc12 ZINC000587082380 FF Annotated Anodyne CC1=C(c2ccc3nc([C@H](C)n4cc(Cl)cn4)[nH]c3c2)NNC(=O)C1 ZINC000587082788 FF Annotated Anodyne CC1=C(c2ccc3nc([C@@H](C)n4cc(Cl)cn4)[nH]c3c2)NNC(=O)C1 ZINC000587082792 FF Annotated Anodyne COc1ccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(Cl)n1 ZINC000587083804 FF Annotated Anodyne COC(=O)c1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cn1 ZINC000587084464 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc12 ZINC000587084501 FF Annotated Anodyne O=[N+]([O-])c1cncc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 ZINC000587084563 FF Annotated Bother Clc1ncc2nc(C3CCN(c4nccnc4Cl)CC3)nc-2[nH]1 ZINC000587085005 FF Annotated Anodyne Clc1nccnc1N1CCC(c2nc3c(Cl)ncnc3[nH]2)CC1 ZINC000587085009 FF Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 ZINC000587085242 FF Annotated Bother Clc1c[nH]c2nc(C3CCN(c4nccnc4Cl)CC3)nc-2n1 ZINC000587085264 FF Annotated Anodyne OCCc1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 ZINC000587085277 FF Annotated Anodyne COC(=O)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2n1 ZINC000587085473 FF Annotated Anodyne Clc1ncc(-c2nc3cc(I)cnc3[nH]2)cn1 ZINC000587086200 FF Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cnc(Cl)nc3)nc-2[nH]1 ZINC000587086255 FF Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2ccc(I)cc2[nH]1 ZINC000587086411 FF Annotated Anodyne OCCc1ccc2nc(C(F)(Br)Br)[nH]c2c1 ZINC000587087276 FF Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587087359 FF Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587087450 FF Annotated Bother Nc1ncc(Cl)nc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587087454 FF Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(C(F)(Br)Br)nc2c1 ZINC000587087600 FF Annotated Bother N#Cc1nc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)nc-2[nH]c1C#N ZINC000587087625 FF Annotated Mild COC(=O)c1cc2nc(C(F)(Br)Br)[nH]c2cn1 ZINC000587087626 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1 ZINC000587087697 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1 ZINC000587087702 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c(C(F)(Br)Br)nc12 ZINC000587087707 FF Annotated Anodyne O=[N+]([O-])c1cncc2nc(C(F)(Br)Br)[nH]c12 ZINC000587087805 FF Annotated Bother COC(=O)c1ccc2nc(C(F)(Br)Br)[nH]c2n1 ZINC000587087885 FF Annotated Anodyne CC(C)(F)[C@H](Br)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587087951 FF Annotated Reactive CC(C)(F)[C@@H](Br)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587087958 FF Annotated Reactive FC(Br)(Br)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587087979 FF Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2cccc(I)c2[nH]1 ZINC000587088153 FF Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587088155 FF Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c12 ZINC000587088411 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c12 ZINC000587088412 FF Annotated Anodyne CC1=C(c2ccc3nc(C(F)(F)c4ccccn4)[nH]c3c2)NNC(=O)C1 ZINC000587089351 FF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C(F)(F)C(F)F)[nH]c2c1 ZINC000587089602 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c12 ZINC000587089640 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c12 ZINC000587089641 FF Annotated Anodyne N=c1[nH]cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc-2[nH]1 ZINC000587090091 FF Annotated Mild Oc1nncc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090468 FF Annotated Mild O=C1COc2cc3[nH]c(-c4ccnc(OCC(F)(F)F)c4)nc3cc2N1 ZINC000587090978 FF Annotated Anodyne FC(F)(F)COc1cc(-c2nc3c(S)nc(S)nc3[nH]2)ccn1 ZINC000587091029 FF Annotated Anodyne O=S(=O)(O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 ZINC000587091225 FF Annotated Anodyne COC(=O)c1cccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 ZINC000587091254 FF Annotated Bother N[C@H](N=O)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 ZINC000587091259 FF Annotated Bother N[C@@H](N=O)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 ZINC000587091260 FF Annotated Bother CCOc1ccccc1[C@](N)(c1nc2c(N)ccnc2[nH]1)C(F)(F)F ZINC000587091476 FF Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2c(N)ccnc2[nH]1)C(F)(F)F ZINC000587091477 FF Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(=N)[nH]cc2[nH]1)C(F)(F)F ZINC000587091619 FF Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(=N)[nH]cc2[nH]1)C(F)(F)F ZINC000587091621 FF Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 ZINC000587091709 FF Annotated Bother COC(=O)c1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cn1 ZINC000587091806 FF Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 ZINC000587091847 FF Annotated Bother CCOc1ccccc1[C@](N)(c1nc2ccnc(O)c2[nH]1)C(F)(F)F ZINC000587091883 FF Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccnc(O)c2[nH]1)C(F)(F)F ZINC000587091884 FF Annotated Anodyne O=C(O)c1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1F ZINC000587091935 FF Annotated Bother COC(=O)c1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2n1 ZINC000587091967 FF Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc4c(cc3[nH]2)OCO4)nn1CC(F)(F)F ZINC000587092004 FF Annotated Bother O=C(O)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 ZINC000587092054 FF Annotated Bother N#Cc1nc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2nc1C#N ZINC000587092062 FF Annotated Mild O=[N+]([O-])c1cc(-c2nc3cc4cn[nH]c4cc3[nH]2)nn1CC(F)(F)F ZINC000587092198 FF Annotated Bother CCOc1ccccc1[C@](N)(c1nc2cc(N)c(N)cc2[nH]1)C(F)(F)F ZINC000587092391 FF Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(N)c(N)cc2[nH]1)C(F)(F)F ZINC000587092392 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc12 ZINC000587092516 FF Annotated Anodyne COc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1OC ZINC000587092580 FF Annotated Bother NNC(=O)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 ZINC000587092617 FF Annotated Reactive FC(F)(F)COc1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)ccn1 ZINC000587092661 FF Annotated Anodyne COc1cc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2cn1 ZINC000587092857 FF Annotated Anodyne COc1cc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2cn1 ZINC000587092859 FF Annotated Anodyne O=C(O)c1cccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 ZINC000587093079 FF Annotated Bother N#Cc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1C#N ZINC000587093095 FF Annotated Mild O=[N+]([O-])c1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)nn1CC(F)(F)F ZINC000587093104 FF Annotated Bother O=C(O)c1cc(F)cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 ZINC000587093106 FF Annotated Bother N#Cc1nc(Cl)cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 ZINC000587093139 FF Annotated Mild COc1cc(OC)c2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc2c1 ZINC000587093151 FF Annotated Bother O=[N+]([O-])c1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1F ZINC000587093156 FF Annotated Bother C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587093263 FF Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587093270 FF Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(CCO)cc3[nH]2)C(F)(F)F)n1 ZINC000587093424 FF Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(CCO)cc3[nH]2)C(F)(F)F)n1 ZINC000587093427 FF Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc[nH]c(=N)c2[nH]1)C(F)(F)F ZINC000587093635 FF Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc[nH]c(=N)c2[nH]1)C(F)(F)F ZINC000587093636 FF Annotated Anodyne COc1cncc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c12 ZINC000587093769 FF Annotated Anodyne COc1cncc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c12 ZINC000587093770 FF Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)C(F)(F)F)n1 ZINC000587094098 FF Annotated Bother Cc1csc([C@@](O)(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)C(F)(F)F)n1 ZINC000587094099 FF Annotated Bother C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccnc(Br)c2[nH]1 ZINC000587094178 FF Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2ccnc(Br)c2[nH]1 ZINC000587094179 FF Annotated Anodyne Cc1csc([C@](O)(Cc2nc3c(Cl)ncnc3[nH]2)C(F)(F)F)n1 ZINC000587094232 FF Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3c(Cl)ncnc3[nH]2)C(F)(F)F)n1 ZINC000587094233 FF Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2c1 ZINC000587094294 FF Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2c1 ZINC000587094295 FF Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)C(F)(F)F)n1 ZINC000587094304 FF Annotated Bother Cc1csc([C@@](O)(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)C(F)(F)F)n1 ZINC000587094305 FF Annotated Bother C[C@@H](NC(=O)CC(F)(F)F)c1nc2c(Br)ccnc2[nH]1 ZINC000587094308 FF Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2c(Br)ccnc2[nH]1 ZINC000587094309 FF Annotated Anodyne COc1nccc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c12 ZINC000587094314 FF Annotated Anodyne COc1nccc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c12 ZINC000587094315 FF Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cncc(Br)c2[nH]1 ZINC000587094666 FF Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cncc(Br)c2[nH]1 ZINC000587094667 FF Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(Br)nc2[nH]1 ZINC000587094668 FF Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(Br)nc2[nH]1 ZINC000587094669 FF Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(Br)ncc2[nH]1 ZINC000587094734 FF Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(Br)ncc2[nH]1 ZINC000587094735 FF Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(CO)cc3[nH]2)C(F)(F)F)n1 ZINC000587094736 FF Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(CO)cc3[nH]2)C(F)(F)F)n1 ZINC000587094737 FF Annotated Anodyne Cc1csc([C@](O)(Cc2nc3nc(Cl)c[nH]c-3n2)C(F)(F)F)n1 ZINC000587094752 FF Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3nc(Cl)c[nH]c-3n2)C(F)(F)F)n1 ZINC000587094753 FF Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cnc(Cl)[nH]c-3n2)C(F)(F)F)n1 ZINC000587094872 FF Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cnc(Cl)[nH]c-3n2)C(F)(F)F)n1 ZINC000587094873 FF Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587094874 FF Annotated Bother C[C@H](NC(=O)CC(F)(F)F)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587094875 FF Annotated Bother COc1ccc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2n1 ZINC000587094914 FF Annotated Anodyne COc1ccc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2n1 ZINC000587094915 FF Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587095122 FF Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587095123 FF Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(Br)cnc2[nH]1 ZINC000587095149 FF Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(Br)cnc2[nH]1 ZINC000587095151 FF Annotated Anodyne COc1ccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(C(F)(F)F)c1 ZINC000587096805 FF Annotated Anodyne Cc1ccc2c3c(cc(CN4C(=O)COCC4=O)nc13)-c1ccccc1C2=O ZINC000587097278 FF Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H]1[C@@H](C(=O)O)NC[C@H]41)-c1ccccc1C2=O ZINC000587097790 FF Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H]1[C@H](C(=O)O)NC[C@@H]41)-c1ccccc1C2=O ZINC000587097815 FF Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]1[C@@H]4CN[C@H]1C(=O)O)-c1ccccc1C2=O ZINC000587097819 FF Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H]1[C@@H](C(=O)O)NC[C@@H]41)-c1ccccc1C2=O ZINC000587097822 FF Annotated Anodyne Cc1ccc2c3c(c(CCNS(C)(=O)=O)cnc13)-c1ccccc1C2=O ZINC000587103317 FF Annotated Anodyne COC(=O)Cn1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)nn1 ZINC000587105105 FF Annotated Anodyne O=C1c2ccccc2-c2cc(Cn3cnc([N+](=O)[O-])n3)nc3cccc1c23 ZINC000587105337 FF Annotated Bother O=C1c2ccccc2-c2cc(CC(=O)N3CCOCC3)nc3cccc1c23 ZINC000587106026 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CN[C@H](C(=O)O)[C@H]1C3 ZINC000587106090 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CN[C@H](C(=O)O)[C@@H]1C3 ZINC000587106098 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CN[C@@H](C(=O)O)[C@@H]1C3 ZINC000587106100 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1CN[C@@H](C(=O)O)[C@H]1C3 ZINC000587106103 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1[C@H](C(=O)O)NC[C@@H]31 ZINC000587106121 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1[C@@H](C(=O)O)NC[C@@H]31 ZINC000587106123 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]1[C@@H]3CN[C@H]1C(=O)O ZINC000587106126 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1[C@@H](C(=O)O)NC[C@H]31 ZINC000587106128 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1[C@@H](CN[C@H]1C(=O)O)C3 ZINC000587106275 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]1[C@@H](C(=O)O)NC[C@@H]1C3 ZINC000587106283 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1[C@@H](CN[C@@H]1C(=O)O)C3 ZINC000587106285 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1[C@H](CN[C@H]1C(=O)O)C3 ZINC000587106286 FF Annotated Anodyne O=C1NC(=O)[C@]2(CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)N1 ZINC000587106696 FF Annotated Anodyne O=C1NC(=O)[C@@]2(CCc3nc4cccc5c4c(c3C2)-c2ccccc2C5=O)N1 ZINC000587106701 FF Annotated Anodyne COC(=O)Cc1c(C(=O)OC)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587106803 FF Annotated Anodyne Cn1c(O)ncc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1=O ZINC000587107175 FF Annotated Anodyne Cn1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(=O)n(C)c1=O ZINC000587107333 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN[C@@H](C(=O)O)[C@@H]1C3 ZINC000587107659 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN[C@H](C(=O)O)[C@H]1C3 ZINC000587107661 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN[C@H](C(=O)O)[C@@H]1C3 ZINC000587107663 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN[C@@H](C(=O)O)[C@H]1C3 ZINC000587107664 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN[C@H](C(=O)O)[C@@H]31 ZINC000587108322 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN[C@H](C(=O)O)[C@H]31 ZINC000587108323 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN[C@@H](C(=O)O)[C@H]31 ZINC000587108324 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN[C@@H](C(=O)O)[C@@H]31 ZINC000587108325 FF Annotated Anodyne NS(=O)(=O)c1cccc2nc(Cc3ccccc3C(F)(F)F)[nH]c12 ZINC000587108451 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ncccc3C(F)(F)F)[nH]c12 ZINC000587108663 FF Annotated Anodyne N=c1[nH]c2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)nc-2c(Cl)[nH]1 ZINC000587108676 FF Annotated Anodyne NS(=O)(=O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1 ZINC000587108825 FF Annotated Anodyne O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587108993 FF Annotated Anodyne N=c1[nH]c2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)nc-2c(Cl)[nH]1 ZINC000587109184 FF Annotated Anodyne O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000587109669 FF Annotated Anodyne O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000587109903 FF Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(O)nc(S)nc2[nH]1 ZINC000587110019 FF Annotated Bother N#Cc1nc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2nc1C#N ZINC000587110284 FF Annotated Mild N=c1[nH]c2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc-2c(Cl)[nH]1 ZINC000587110308 FF Annotated Bother Cc1cncc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 ZINC000587111159 FF Annotated Anodyne OCc1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 ZINC000587111222 FF Annotated Anodyne Fc1cnc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2c1 ZINC000587111229 FF Annotated Anodyne Cc1nccc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc12 ZINC000587111411 FF Annotated Anodyne N=c1[nH]c2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc-2c(Cl)[nH]1 ZINC000587111659 FF Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(N)ccnc2[nH]1 ZINC000587111862 FF Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(N)ccnc2[nH]1 ZINC000587111864 FF Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(=N)[nH]cc2[nH]1 ZINC000587112092 FF Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(=N)[nH]cc2[nH]1 ZINC000587112096 FF Annotated Anodyne Oc1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 ZINC000587112683 FF Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587113354 FF Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587113365 FF Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc[nH]c(=N)c2[nH]1 ZINC000587113720 FF Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc[nH]c(=N)c2[nH]1 ZINC000587113721 FF Annotated Anodyne Oc1cccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 ZINC000587114072 FF Annotated Anodyne Cc1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2n1 ZINC000587114376 FF Annotated Anodyne Cc1cnc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2c1 ZINC000587114426 FF Annotated Anodyne Cc1ccnc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc12 ZINC000587114657 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cncc(C(F)(F)F)c3)[nH]c12 ZINC000587115036 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c12 ZINC000587115708 FF Annotated Anodyne Oc1ncnc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc12 ZINC000587115900 FF Annotated Anodyne Nc1ncnc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc12 ZINC000587115959 FF Annotated Anodyne Oc1nncc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 ZINC000587116144 FF Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc12 ZINC000587116160 FF Annotated Anodyne N=c1[nH]c2nc(-c3cc4cnccc4nc3C(F)(F)F)nc-2c(Cl)[nH]1 ZINC000587116162 FF Annotated Anodyne N#Cc1nc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2nc1C#N ZINC000587116399 FF Annotated Mild N=c1[nH]cc2nc(-c3cc(C(F)(F)F)ncc3Br)nc-2[nH]1 ZINC000587116495 FF Annotated Anodyne Nc1ncnc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc12 ZINC000587116597 FF Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2c1OC ZINC000587116653 FF Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587116664 FF Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587116907 FF Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(C#N)cc2[nH]1 ZINC000587116911 FF Annotated Mild N=c1[nH]cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc-2[nH]1 ZINC000587116913 FF Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(C(F)(F)F)nn3C)nc2cc1OC ZINC000587116950 FF Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(CO)cc2[nH]1 ZINC000587117117 FF Annotated Bother OCc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 ZINC000587117151 FF Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(CCO)cc2[nH]1 ZINC000587117164 FF Annotated Bother COC(=O)c1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cn1 ZINC000587117373 FF Annotated Anodyne COc1nccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587117496 FF Annotated Anodyne COc1cncc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587117501 FF Annotated Anodyne O=[N+]([O-])c1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1[N+](=O)[O-] ZINC000587117523 FF Annotated Bother FC(F)(F)c1ccn(CCc2nc3nc(Br)c[nH]c-3n2)n1 ZINC000587117600 FF Annotated Anodyne COC(=O)c1cc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2cn1 ZINC000587117706 FF Annotated Anodyne COC(=O)c1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2n1 ZINC000587117714 FF Annotated Anodyne CN(C)CCOc1ccc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2c1 ZINC000587117944 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3c(Cl)c(C(F)(F)F)nn3C)nc12 ZINC000587117966 FF Annotated Anodyne FC(F)(F)c1ccn(CCc2nc3cnc(C(F)(F)F)[nH]c-3n2)n1 ZINC000587117969 FF Annotated Anodyne Oc1nccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587118012 FF Annotated Anodyne FC(F)(F)c1nn(CCc2nc3ncc[nH]c-3n2)cc1Br ZINC000587118144 FF Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4nc(Cl)ncc4[nH]3)no2)n1 ZINC000587118186 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc12 ZINC000587118253 FF Annotated Anodyne CN(C)C(=O)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 ZINC000587118295 FF Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587118405 FF Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587118430 FF Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(C(=O)O)c2[nH]1 ZINC000587118489 FF Annotated Bother FC(F)(F)c1ccn(Cc2cc(-c3nc4ncnc(Cl)c4[nH]3)no2)n1 ZINC000587118589 FF Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc3c(cc2[nH]1)OCO3 ZINC000587118606 FF Annotated Bother CN(C)CCOc1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 ZINC000587118622 FF Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cnncc3[nH]2)cc1Br ZINC000587118625 FF Annotated Anodyne COc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2n1 ZINC000587118795 FF Annotated Anodyne COc1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2cn1 ZINC000587118864 FF Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cncnc3[nH]2)cc1Br ZINC000587118983 FF Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587119035 FF Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587119063 FF Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(C#N)c2[nH]1 ZINC000587119101 FF Annotated Mild Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587119136 FF Annotated Bother FC(F)(F)c1cc(C2CC2)n(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)n1 ZINC000587119186 FF Annotated Anodyne COC(=O)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2n1 ZINC000587119265 FF Annotated Anodyne Nc1cc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2cc1N ZINC000587119360 FF Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4nc(Cl)c[nH]c-4n3)no2)n1 ZINC000587119398 FF Annotated Anodyne COC(=O)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1OC ZINC000587119494 FF Annotated Anodyne COC(=O)c1cc2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2cc1OC ZINC000587119602 FF Annotated Anodyne Nc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1N ZINC000587119878 FF Annotated Anodyne N=c1[nH]c2nc(Cn3nc(C(F)(F)F)cc3C3CC3)nc-2c(Cl)[nH]1 ZINC000587119949 FF Annotated Anodyne N=c1[nH]c2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)nc-2c(Cl)[nH]1 ZINC000587120060 FF Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc12 ZINC000587120228 FF Annotated Anodyne N=c1[nH]c2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc-2c(Cl)[nH]1 ZINC000587120484 FF Annotated Anodyne N#Cc1nc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2nc1C#N ZINC000587120705 FF Annotated Mild N=c1[nH]c2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc-2c(Cl)[nH]1 ZINC000587120910 FF Annotated Anodyne N#Cc1nc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2nc1C#N ZINC000587120916 FF Annotated Mild Oc1nc(S)nc2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc12 ZINC000587121118 FF Annotated Anodyne FC(F)COc1cccc(-c2nc3nc(Br)c[nH]c-3n2)n1 ZINC000587121895 FF Annotated Anodyne Cc1cc(-c2nc3ncncc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123203 FF Annotated Anodyne Cc1cc(-c2nc3nccc(N)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123287 FF Annotated Anodyne Cc1cc(-c2nc3c(O)nccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123340 FF Annotated Anodyne Cc1cc(-c2nc3c[nH]c(=N)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123671 FF Annotated Anodyne N=c1nc(O)c2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2[nH]1 ZINC000587123844 FF Annotated Anodyne C[C@@H](F)[C@@H](N)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587123889 FF Annotated Anodyne C[C@H](F)[C@H](N)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587123890 FF Annotated Anodyne C[C@@H](F)[C@H](N)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587123891 FF Annotated Anodyne C[C@H](F)[C@@H](N)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587123892 FF Annotated Anodyne Cc1cc(-c2nc3cnncc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587124175 FF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(COC(F)(F)F)[nH]c2c1 ZINC000587124204 FF Annotated Anodyne Cc1cc(-c2nc3c(=N)[nH]ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587124248 FF Annotated Anodyne O=S(=O)(O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 ZINC000587124504 FF Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(N)c(N)cc4[nH]3)cc2N1 ZINC000587125042 FF Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(N)c(N)cc4[nH]3)cc2N1 ZINC000587125043 FF Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(N)c(N)cc4[nH]3)cc2N1 ZINC000587125044 FF Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(N)c(N)cc4[nH]3)cc2N1 ZINC000587125045 FF Annotated Anodyne O=C1COc2cc3[nH]c(C4(O)CCC(C(F)(F)F)CC4)nc3cc2N1 ZINC000587125338 FF Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(O)nc(S)nc4[nH]3)cc2N1 ZINC000587125731 FF Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(O)nc(S)nc4[nH]3)cc2N1 ZINC000587125732 FF Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(O)nc(S)nc4[nH]3)cc2N1 ZINC000587125733 FF Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(O)nc(S)nc4[nH]3)cc2N1 ZINC000587125734 FF Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cc2N1 ZINC000587125858 FF Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cc2N1 ZINC000587125862 FF Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cc2N1 ZINC000587125863 FF Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cc2N1 ZINC000587125865 FF Annotated Anodyne Cc1cc2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2c(C)n1 ZINC000587126398 FF Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(Cl)cncc2[nH]1)C(F)(F)F ZINC000587126492 FF Annotated Anodyne Cc1cc(-c2nc3ncc[nH]c-3n2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587126599 FF Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2cc3[nH]ncc3cc2[nH]1)C(F)(F)F ZINC000587126624 FF Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 ZINC000587126648 FF Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2cnc(Cl)cc2[nH]1)C(F)(F)F ZINC000587126654 FF Annotated Anodyne O=[N+]([O-])c1cccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 ZINC000587126707 FF Annotated Bother C[C@@H](F)[C@@H](N)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587126764 FF Annotated Anodyne C[C@H](F)[C@H](N)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587126765 FF Annotated Anodyne C[C@@H](F)[C@H](N)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587126766 FF Annotated Anodyne C[C@H](F)[C@@H](N)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587126767 FF Annotated Anodyne OC1(c2nc3c(S)nc(S)nc3[nH]2)CCC(C(F)(F)F)CC1 ZINC000587126883 FF Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2cc3c(cc2[nH]1)OCO3)C(F)(F)F ZINC000587127116 FF Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2nccc(Cl)c2[nH]1)C(F)(F)F ZINC000587127217 FF Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2nc(Cl)ccc2[nH]1)C(F)(F)F ZINC000587127326 FF Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(Cl)nccc2[nH]1)C(F)(F)F ZINC000587127387 FF Annotated Anodyne N#Cc1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1 ZINC000587127398 FF Annotated Mild O=S(=O)(c1ncccc1-c1nc2ncc(Cl)cc2[nH]1)C(F)(F)F ZINC000587127520 FF Annotated Anodyne N=c1nc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2c(Cl)[nH]1 ZINC000587127572 FF Annotated Anodyne Fc1cc2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2cc1-n1cccn1 ZINC000587127801 FF Annotated Anodyne FC(F)c1c(-c2nc3cncc(Br)c3[nH]2)cnc2ncnn12 ZINC000587127811 FF Annotated Anodyne FC(F)c1c(-c2nc3cc(Br)ncc3[nH]2)cnc2ncnn12 ZINC000587127857 FF Annotated Anodyne FC(F)c1c(-c2nc3cc(Br)cnc3[nH]2)cnc2ncnn12 ZINC000587127908 FF Annotated Anodyne Cn1nnc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1C(F)F ZINC000587127925 FF Annotated Bother Cn1nnc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c1C(F)F ZINC000587127989 FF Annotated Mild FC(F)c1c(-c2nc3ccc(Br)nc3[nH]2)cnc2ncnn12 ZINC000587128118 FF Annotated Anodyne Cn1nnc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1C(F)F ZINC000587128168 FF Annotated Anodyne FC(F)c1c(-c2nc3c(Br)ccnc3[nH]2)cnc2ncnn12 ZINC000587128218 FF Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 ZINC000587128386 FF Annotated Anodyne FC(F)c1c(-c2nc3cc4c(cc3[nH]2)OCCCO4)cnc2ncnn12 ZINC000587128447 FF Annotated Anodyne FC(F)c1c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cnc2ncnn12 ZINC000587128551 FF Annotated Anodyne Cn1nnc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1C(F)F ZINC000587128867 FF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccccc2[nH]1 ZINC000587129072 FF Annotated Anodyne CCOC(=O)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 ZINC000587129424 FF Annotated Anodyne FC(F)c1c(-c2nc3ccnc(Br)c3[nH]2)cnc2ncnn12 ZINC000587129428 FF Annotated Anodyne CN(C)CCOc1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 ZINC000587129430 FF Annotated Anodyne Cn1nnc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1C(F)F ZINC000587129689 FF Annotated Bother CCOc1cc(/C=C/c2nc3c(O)nc(O)nc3[nH]2)ccc1OC(F)F ZINC000587129988 FF Annotated Anodyne CCOc1cc(/C=C\c2nc3c(O)nc(O)nc3[nH]2)ccc1OC(F)F ZINC000587129993 FF Annotated Anodyne CC(C)OC(=O)C1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)CC(F)(F)C1 ZINC000587130323 FF Annotated Anodyne CCOc1cc(/C=C/c2nc3c(O)nc(=N)[nH]c3[nH]2)ccc1OC(F)F ZINC000587131187 FF Annotated Anodyne CCOc1cc(/C=C\c2nc3c(O)nc(=N)[nH]c3[nH]2)ccc1OC(F)F ZINC000587131188 FF Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc([C@H](N)N=O)cc3[nH]2)CC(F)(F)C1 ZINC000587131412 FF Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc([C@@H](N)N=O)cc3[nH]2)CC(F)(F)C1 ZINC000587131413 FF Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc4c(cc3[nH]2)OCCO4)CC(F)(F)C1 ZINC000587131462 FF Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)CC(F)(F)C1 ZINC000587131609 FF Annotated Anodyne COC(=O)c1ccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2c1 ZINC000587131684 FF Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CC(F)(F)C1 ZINC000587131765 FF Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc(C(=O)N(C)C)cc3[nH]2)CC(F)(F)C1 ZINC000587131854 FF Annotated Anodyne CC(C)OC(=O)C1(c2nc3c(S)nc(S)nc3[nH]2)CC(F)(F)C1 ZINC000587131855 FF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)C(F)(F)C1 ZINC000587131882 FF Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)C(F)(F)C1 ZINC000587131883 FF Annotated Bother CC(C)(C)OC(=O)N1C[C@H](c2nc3c(Cl)ncnc3[nH]2)C(F)(F)C1 ZINC000587132039 FF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(Cl)ncnc3[nH]2)C(F)(F)C1 ZINC000587132040 FF Annotated Anodyne COc1nccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 ZINC000587132056 FF Annotated Anodyne COc1nccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 ZINC000587132057 FF Annotated Anodyne COc1cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cn1 ZINC000587132121 FF Annotated Anodyne COc1cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cn1 ZINC000587132122 FF Annotated Anodyne COc1cncc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 ZINC000587132197 FF Annotated Anodyne COc1cncc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12 ZINC000587132198 FF Annotated Anodyne COc1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2n1 ZINC000587132278 FF Annotated Anodyne COc1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2n1 ZINC000587132279 FF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3nc(Cl)c[nH]c-3n2)C(F)(F)C1 ZINC000587132286 FF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3nc(Cl)c[nH]c-3n2)C(F)(F)C1 ZINC000587132287 FF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(N)c(N)cc3[nH]2)C(F)(F)C1 ZINC000587132483 FF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(N)c(N)cc3[nH]2)C(F)(F)C1 ZINC000587132484 FF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cnc(Cl)[nH]c-3n2)C(F)(F)C1 ZINC000587132518 FF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cnc(Cl)[nH]c-3n2)C(F)(F)C1 ZINC000587132519 FF Annotated Anodyne COc1c(F)ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1N ZINC000587132530 FF Annotated Anodyne COc1c(F)ccc(F)c1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587132926 FF Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)C(F)(F)C1 ZINC000587133091 FF Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)C(F)(F)C1 ZINC000587133092 FF Annotated Bother N#Cc1nc2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2nc1C#N ZINC000587133626 FF Annotated Mild COc1c(F)ccc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c1N ZINC000587133628 FF Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(F)cc(F)c4O)[nH]c3c2)NNC(=O)C1 ZINC000587133856 FF Annotated Anodyne Cc1cc(F)c2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc2c1 ZINC000587134079 FF Annotated Anodyne Cc1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1F ZINC000587134359 FF Annotated Anodyne COc1c(F)cc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1F ZINC000587134640 FF Annotated Anodyne O=S(=O)(NCc1nc2cccc(F)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134700 FF Annotated Anodyne N#Cc1nc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2nc1C#N ZINC000587134869 FF Annotated Mild O=S(=O)(NCc1nc2ccc(F)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134946 FF Annotated Anodyne Cc1c(F)ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 ZINC000587134985 FF Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(F)c(N)c(F)c4)[nH]c3c2)NNC(=O)C1 ZINC000587135037 FF Annotated Anodyne N#Cc1nc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2nc1C#N ZINC000587135054 FF Annotated Mild N#Cc1nc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2nc1C#N ZINC000587135063 FF Annotated Mild N#Cc1nc2nc(-c3cc(Br)c(F)cc3F)[nH]c2nc1C#N ZINC000587135892 FF Annotated Mild Cc1cc(N(C)Cc2nc3c(Cl)ncnc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136196 FF Annotated Bother Cc1cc(N(C)Cc2nc3cnc(Cl)[nH]c-3n2)c([N+](=O)[O-])cc1F ZINC000587136331 FF Annotated Bother CC(C)(C)Oc1cc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c(N)cc1F ZINC000587136418 FF Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)c(N)cc1F ZINC000587136540 FF Annotated Mild COC(=O)c1ccnc2[nH]c(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])nc12 ZINC000587136592 FF Annotated Bother Nc1cc(F)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1N ZINC000587136716 FF Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(F)c(F)c(N)c4F)[nH]c3c2)NNC(=O)C1 ZINC000587136729 FF Annotated Anodyne Nc1cc(F)c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1N ZINC000587136884 FF Annotated Anodyne Cc1cc(N(C)Cc2nc3cccc(C(N)=O)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136912 FF Annotated Bother COC(=O)c1cc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2cn1 ZINC000587136938 FF Annotated Bother Nc1cc(F)c(-c2nc3cc(I)cnc3[nH]2)cc1N ZINC000587136962 FF Annotated Anodyne Nc1cc(Br)cc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c1N ZINC000587136977 FF Annotated Anodyne COC(=O)c1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2n1 ZINC000587137196 FF Annotated Bother Cc1cc(N(C)Cc2nc3nc(Cl)c[nH]c-3n2)c([N+](=O)[O-])cc1F ZINC000587137347 FF Annotated Bother Cc1cc(N(C)Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137377 FF Annotated Bother Cc1cc(N(C)Cc2nc3ccc(C(N)=O)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137391 FF Annotated Bother Cc1cc(N(C)Cc2nc3cncc([N+](=O)[O-])c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137421 FF Annotated Bother Oc1nc(O)c2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2n1 ZINC000587137773 FF Annotated Anodyne Cc1cc(Br)c(-c2nc3nc(C#N)c(C#N)nc3[nH]2)cc1F ZINC000587137915 FF Annotated Mild N=c1nc(O)c2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2[nH]1 ZINC000587137950 FF Annotated Anodyne Nc1cc(-c2nc3cc(I)cnc3[nH]2)ccc1F ZINC000587139249 FF Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1F ZINC000587139299 FF Annotated Bother NS(=O)(=O)c1cccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c12 ZINC000587139650 FF Annotated Bother OCc1ccc(F)c(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000587140540 FF Annotated Anodyne OCc1ccc(F)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000587141038 FF Annotated Anodyne Nc1ccc(F)c(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000587141164 FF Annotated Anodyne Nc1ccc(F)c(Cc2nc3cc(I)cnc3[nH]2)c1 ZINC000587141213 FF Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3cc(S(N)(=O)=O)ccc3F)nc2c1 ZINC000587142231 FF Annotated Mild NS(=O)(=O)c1ccc(F)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 ZINC000587142237 FF Annotated Anodyne CC1=C(c2ccc3nc(Cc4cc(N)ccc4F)[nH]c3c2)NNC(=O)C1 ZINC000587142272 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(S)ccc3F)[nH]c12 ZINC000587142560 FF Annotated Anodyne Nc1ccnc2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc12 ZINC000587143981 FF Annotated Anodyne Nc1ccnc2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc12 ZINC000587143984 FF Annotated Anodyne N=c1cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c[nH]1 ZINC000587144590 FF Annotated Anodyne N=c1cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c[nH]1 ZINC000587144593 FF Annotated Anodyne N[C@@H](Cc1nc2ccnc(O)c2[nH]1)c1ccc(Br)cc1F ZINC000587144916 FF Annotated Anodyne N[C@H](Cc1nc2ccnc(O)c2[nH]1)c1ccc(Br)cc1F ZINC000587144919 FF Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3c[nH]c(=N)[nH]c-3n2)cc1F ZINC000587145003 FF Annotated Anodyne N=c1[nH]ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c12 ZINC000587145005 FF Annotated Anodyne N=c1[nH]ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c12 ZINC000587145007 FF Annotated Anodyne Nc1cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2cc1N ZINC000587145282 FF Annotated Anodyne Nc1cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2cc1N ZINC000587145283 FF Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2nc(=N)[nH]c(Cl)c2[nH]1 ZINC000587147679 FF Annotated Anodyne O=C1C[C@H](c2nc3ccc(CCO)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587147859 FF Annotated Anodyne O=C1C[C@@H](c2nc3ccc(CCO)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587147861 FF Annotated Anodyne CN(C)C(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 ZINC000587148102 FF Annotated Bother COc1ccc(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c(F)c1 ZINC000587148103 FF Annotated Anodyne N=c1nc(O)c2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2[nH]1 ZINC000587148261 FF Annotated Anodyne N=c1nc(O)c2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2[nH]1 ZINC000587148262 FF Annotated Anodyne O=C1C[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148333 FF Annotated Bother O=C1C[C@@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148342 FF Annotated Bother O=C1COc2cc3[nH]c(COc4ccc([N+](=O)[O-])c(F)c4)nc3cc2N1 ZINC000587148417 FF Annotated Bother C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587148483 FF Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587148484 FF Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1F ZINC000587148845 FF Annotated Bother Nc1cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1N ZINC000587149148 FF Annotated Anodyne Nc1cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1N ZINC000587149149 FF Annotated Anodyne O=C1C[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149166 FF Annotated Bother O=C1C[C@@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149167 FF Annotated Bother COc1cncc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 ZINC000587149169 FF Annotated Anodyne COc1cncc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 ZINC000587149170 FF Annotated Anodyne O=C1C[C@@H](c2nc3nc(Cl)c[nH]c-3n2)CN1Cc1ccc(F)cc1F ZINC000587149191 FF Annotated Anodyne O=C1C[C@H](c2nc3nc(Cl)c[nH]c-3n2)CN1Cc1ccc(F)cc1F ZINC000587149192 FF Annotated Anodyne COc1ccc(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(F)c1 ZINC000587149338 FF Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3c(S)nc(S)nc3[nH]2)cc1F ZINC000587149559 FF Annotated Bother COc1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2n1 ZINC000587150259 FF Annotated Anodyne COc1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2n1 ZINC000587150261 FF Annotated Anodyne O=C1C[C@@H](c2nc3cnc(Cl)[nH]c-3n2)CN1Cc1ccc(F)cc1F ZINC000587150313 FF Annotated Anodyne O=C1C[C@H](c2nc3cnc(Cl)[nH]c-3n2)CN1Cc1ccc(F)cc1F ZINC000587150315 FF Annotated Anodyne COc1nccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 ZINC000587150361 FF Annotated Anodyne COc1nccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 ZINC000587150362 FF Annotated Anodyne O=C1C[C@@H](c2nc3ccc(CO)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150946 FF Annotated Anodyne O=C1C[C@H](c2nc3ccc(CO)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150951 FF Annotated Anodyne COc1cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cn1 ZINC000587150971 FF Annotated Anodyne COc1cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cn1 ZINC000587150972 FF Annotated Anodyne O=C1C[C@@H](c2nc3c(Cl)ncnc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587151217 FF Annotated Anodyne O=C1C[C@H](c2nc3c(Cl)ncnc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587151218 FF Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3nc(Br)c[nH]c-3n2)cc1F ZINC000587151276 FF Annotated Bother Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000587151286 FF Annotated Anodyne CC1=C(c2ccc3nc([C@@H](N)c4ccc(F)cc4F)[nH]c3c2)NNC(=O)C1 ZINC000587151734 FF Annotated Anodyne C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587151872 FF Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587151874 FF Annotated Anodyne N[C@H](c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(F)cc1F ZINC000587152032 FF Annotated Anodyne N=c1nc(O)c2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2[nH]1 ZINC000587152241 FF Annotated Anodyne N=c1nc(O)c2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2[nH]1 ZINC000587152245 FF Annotated Anodyne C[C@@]1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)C=C(c2ccccc2F)NO1 ZINC000587153875 FF Annotated Anodyne C[C@]1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)C=C(c2ccccc2F)NO1 ZINC000587153876 FF Annotated Anodyne COC(=O)c1cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cn1 ZINC000587153905 FF Annotated Anodyne COC(=O)c1cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cn1 ZINC000587153906 FF Annotated Anodyne N[C@@]1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154457 FF Annotated Bother N[C@@]1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587154458 FF Annotated Bother N[C@]1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154459 FF Annotated Bother N[C@]1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587154460 FF Annotated Bother O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cnncc3[nH]2)c1 ZINC000587154487 FF Annotated Anodyne Cn1nc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(F)c1O ZINC000587154657 FF Annotated Anodyne CN(C)CCOc1ccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 ZINC000587154755 FF Annotated Anodyne CN(C)CCOc1ccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 ZINC000587154756 FF Annotated Anodyne CN(C)CCOc1ccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 ZINC000587154757 FF Annotated Anodyne CN(C)CCOc1ccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 ZINC000587154758 FF Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(F)c(Br)n3)nc2cn1 ZINC000587154783 FF Annotated Anodyne N[C@]1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587154824 FF Annotated Anodyne N[C@@]1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154825 FF Annotated Anodyne N[C@]1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154826 FF Annotated Anodyne N[C@@]1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587154827 FF Annotated Anodyne C[C@@]1(c2nc3c(S)nc(S)nc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587155133 FF Annotated Anodyne C[C@]1(c2nc3c(S)nc(S)nc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587155138 FF Annotated Anodyne COC(=O)c1cc2[nH]c([C@]3(N)C[C@@H]3c3ccccc3F)nc2cc1OC ZINC000587155173 FF Annotated Anodyne COC(=O)c1cc2[nH]c([C@]3(N)C[C@H]3c3ccccc3F)nc2cc1OC ZINC000587155174 FF Annotated Anodyne COC(=O)c1cc2[nH]c([C@@]3(N)C[C@@H]3c3ccccc3F)nc2cc1OC ZINC000587155175 FF Annotated Anodyne COC(=O)c1cc2[nH]c([C@@]3(N)C[C@H]3c3ccccc3F)nc2cc1OC ZINC000587155179 FF Annotated Anodyne CCCc1nc(-c2nc3nc(=N)[nH]c(Cl)c3[nH]2)nn1-c1ccccc1F ZINC000587155249 FF Annotated Anodyne Fc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)nc1Br ZINC000587155407 FF Annotated Anodyne Cn1nc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(F)c1O ZINC000587155521 FF Annotated Clean COC(=O)c1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2n1 ZINC000587155783 FF Annotated Anodyne COc1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)nn1-c1ccccc1F ZINC000587155786 FF Annotated Bother O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cncnc3[nH]2)c1 ZINC000587155809 FF Annotated Anodyne O=C1COc2cc3nc(-c4ccc(F)c(Br)n4)[nH]c3cc2N1 ZINC000587155830 FF Annotated Anodyne COC(=O)c1ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2n1 ZINC000587156047 FF Annotated Anodyne COC(=O)c1ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2n1 ZINC000587156048 FF Annotated Anodyne Fc1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)nc1Br ZINC000587156187 FF Annotated Anodyne COc1cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)nn1-c1ccccc1F ZINC000587156413 FF Annotated Bother CCCc1nc(-c2nc3c(O)nc(S)nc3[nH]2)nn1-c1ccccc1F ZINC000587156768 FF Annotated Anodyne Fc1cc(Br)cnc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587156943 FF Annotated Anodyne O=C1COc2cc3[nH]c(-c4ncc(Br)cc4F)nc3cc2N1 ZINC000587156964 FF Annotated Anodyne COc1cc(-c2nc3c(S)nc(S)nc3[nH]2)nn1-c1ccccc1F ZINC000587157212 FF Annotated Anodyne COC(=O)c1cc2nc(-c3ncc(Br)cc3F)[nH]c2cn1 ZINC000587157522 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@]3(C)C=C(c4ccccc4F)NO3)nc12 ZINC000587157902 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@]3(C)C=C(c4ccccc4F)NO3)nc12 ZINC000587157904 FF Annotated Anodyne COC(=O)c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2n1 ZINC000587157975 FF Annotated Anodyne N=c1nc(O)c2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2[nH]1 ZINC000587158106 FF Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2nc(Br)c[nH]c-2n1 ZINC000587158224 FF Annotated Bother COC(=O)c1ccnc2[nH]c(-c3ncc(Br)cc3F)nc12 ZINC000587158323 FF Annotated Anodyne COC(=O)c1ccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1OC ZINC000587158326 FF Annotated Anodyne COC(=O)c1ccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1OC ZINC000587158328 FF Annotated Anodyne COC(=O)c1ccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1OC ZINC000587158330 FF Annotated Anodyne COC(=O)c1ccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1OC ZINC000587158332 FF Annotated Anodyne Fc1cc(Br)cnc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587158510 FF Annotated Anodyne CN(C)C(=O)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000587159172 FF Annotated Bother O=C1COc2cc3[nH]c(COc4cc(F)ccc4[N+](=O)[O-])nc3cc2N1 ZINC000587159284 FF Annotated Bother Oc1nc(O)c2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2n1 ZINC000587159376 FF Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587159528 FF Annotated Bother O=[N+]([O-])c1ccc(F)cc1OCc1nc2c(S)nc(S)nc2[nH]1 ZINC000587159776 FF Annotated Bother COc1cccc(-c2cc(F)cc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)c2)c1 ZINC000587160034 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c12 ZINC000587160236 FF Annotated Bother Nc1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cc1N ZINC000587160300 FF Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc(F)cc(Br)c3)[nH]c12 ZINC000587161208 FF Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 ZINC000587161465 FF Annotated Bother O=C(CCc1nc2nc(Br)c[nH]c-2n1)Nc1cccc(F)c1 ZINC000587161804 FF Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc2c1 ZINC000587161839 FF Annotated Bother O=C1CC=C(c2nc3cccc([N+](=O)[O-])c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587162968 FF Annotated Bother O=C1CC=C(c2nc3cc4cn[nH]c4cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587163109 FF Annotated Anodyne N#Cc1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cc1C#N ZINC000587163230 FF Annotated Mild O=C(CCc1nc2cc3c(cc2[nH]1)OCC(=O)N3)Nc1cccc(F)c1 ZINC000587163410 FF Annotated Anodyne O=C(CCc1nc2ccc(S(=O)(=O)O)cc2[nH]1)Nc1cccc(F)c1 ZINC000587163643 FF Annotated Anodyne COc1cccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 ZINC000587163898 FF Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000587164107 FF Annotated Anodyne Cc1cc2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc2c(C)n1 ZINC000587164173 FF Annotated Anodyne COc1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1 ZINC000587164193 FF Annotated Anodyne O=C(O)c1cccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 ZINC000587164451 FF Annotated Anodyne CN(C)[C@H](c1ccc(F)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587164601 FF Annotated Anodyne CN(C)[C@@H](c1ccc(F)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587164602 FF Annotated Anodyne O=C1CC=C(c2nc3ccc(CCO)cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164628 FF Annotated Anodyne O=C1CC=C(c2nc3ccc([N+](=O)[O-])cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164731 FF Annotated Bother COC(=O)c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2n1 ZINC000587164818 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cn3cc(-c4ccc(F)cc4)cn3)nc12 ZINC000587164895 FF Annotated Anodyne O=C1CC=C(c2nc3cc4c(cc3[nH]2)OCO4)NN1Cc1ccc(F)cc1 ZINC000587164920 FF Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4c(S)nc(S)nc4[nH]3)c2)cc1 ZINC000587164921 FF Annotated Anodyne Fc1ccc(-c2cnn(Cc3nc4ccc(-n5cnnn5)cc4[nH]3)c2)cc1 ZINC000587165204 FF Annotated Anodyne COC(=O)c1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2cn1 ZINC000587165328 FF Annotated Anodyne N=c1[nH]cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc-2[nH]1 ZINC000587165775 FF Annotated Anodyne O=C(/C=C/c1nc2nc(Br)c[nH]c-2n1)Nc1ccc(F)cc1 ZINC000587166781 FF Annotated Anodyne O=C(/C=C\c1nc2nc(Br)c[nH]c-2n1)Nc1ccc(F)cc1 ZINC000587166782 FF Annotated Anodyne O=C(/C=C/c1nc2cc3c(cc2[nH]1)OCC(=O)N3)Nc1ccc(F)cc1 ZINC000587167831 FF Annotated Anodyne O=C(/C=C\c1nc2cc3c(cc2[nH]1)OCC(=O)N3)Nc1ccc(F)cc1 ZINC000587167832 FF Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2c(O)nc(S)nc2[nH]1 ZINC000587168195 FF Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(O)nc(S)nc2[nH]1 ZINC000587168198 FF Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc12 ZINC000587168825 FF Annotated Anodyne N=c1[nH]c2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc-2c(Cl)[nH]1 ZINC000587168945 FF Annotated Anodyne CN(Cc1nc2cc(F)c(F)c(F)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169271 FF Annotated Anodyne COc1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2cc1F ZINC000587169274 FF Annotated Anodyne Cc1cc(F)c2[nH]c(CN(C)S(=O)(=O)c3ccc(F)cc3)nc2c1 ZINC000587169298 FF Annotated Anodyne CN(Cc1nc2c(Cl)ccnc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169342 FF Annotated Anodyne CN(Cc1nc2cc(Cl)cnc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169366 FF Annotated Anodyne Cc1c(F)ccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c12 ZINC000587169590 FF Annotated Anodyne CN(Cc1nc2cc(F)c(F)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169597 FF Annotated Anodyne COc1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2cc1C ZINC000587169705 FF Annotated Anodyne CC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2c1 ZINC000587169722 FF Annotated Anodyne CN(Cc1nc2ccc(F)c(F)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169738 FF Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CN(C)S(=O)(=O)c3ccc(F)cc3)nc12 ZINC000587169741 FF Annotated Anodyne CN(Cc1nc2ccnc(Cl)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169785 FF Annotated Anodyne CN(Cc1nc2cc(Cl)ncc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169931 FF Annotated Anodyne CN(Cc1nc2c(F)cnc(Cl)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169999 FF Annotated Anodyne CN(Cc1nc2cc(F)cc(F)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170236 FF Annotated Anodyne CN(Cc1nc2ccc(Cl)nc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170837 FF Annotated Anodyne CN(C)C(=O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 ZINC000587170998 FF Annotated Anodyne COC(=O)c1cc2[nH]c(Cc3cc(F)cc4c3OCOC4)nc2cc1OC ZINC000587171278 FF Annotated Anodyne Fc1cc2c(c(Cc3nc4nc(Br)c[nH]c-4n3)c1)OCOC2 ZINC000587171281 FF Annotated Anodyne O=[N+]([O-])c1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1[N+](=O)[O-] ZINC000587171333 FF Annotated Bother Cc1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2cc1F ZINC000587171345 FF Annotated Anodyne CN(Cc1nc2cncc(Cl)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587171365 FF Annotated Anodyne Fc1cc2c(c(Cc3nc4cnc(C(F)(F)F)[nH]c-4n3)c1)OCOC2 ZINC000587171865 FF Annotated Anodyne Fc1cc2c(c(Cc3nc4c(S)nc(S)nc4[nH]3)c1)OCOC2 ZINC000587172196 FF Annotated Anodyne COC(=O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1OC ZINC000587172208 FF Annotated Anodyne O=c1c(-c2nc3c(O)ncnc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587172235 FF Annotated Anodyne N=c1cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c[nH]1 ZINC000587173149 FF Annotated Anodyne O=c1c(-c2nc3cnnc(O)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587173154 FF Annotated Anodyne C[C@@]1(c2nc3c(S)nc(S)nc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173329 FF Annotated Anodyne C[C@]1(c2nc3c(S)nc(S)nc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173332 FF Annotated Anodyne Nc1ncnc2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc12 ZINC000587173452 FF Annotated Anodyne N=c1[nH]ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c12 ZINC000587173610 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1 ZINC000587173741 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1 ZINC000587173742 FF Annotated Anodyne COC(=O)c1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2n1 ZINC000587173793 FF Annotated Anodyne COC(=O)c1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2n1 ZINC000587173795 FF Annotated Anodyne C[C@]1(c2nc3cc4nc(O)[nH]c4cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173810 FF Annotated Anodyne C[C@@]1(c2nc3cc4nc(O)[nH]c4cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173814 FF Annotated Anodyne COC(=O)c1cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cn1 ZINC000587174074 FF Annotated Anodyne COC(=O)c1cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cn1 ZINC000587174075 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c12 ZINC000587174666 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c12 ZINC000587174668 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)nc12 ZINC000587174949 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@]3(C)Cc4ccc(F)cc4C(=O)O3)nc12 ZINC000587174950 FF Annotated Anodyne COc1ncc(F)cc1-c1nc2ncc(I)cc2[nH]1 ZINC000587175506 FF Annotated Anodyne COc1ncc(F)cc1-c1nc2cc(C3=C(C)CC(=O)NN3)ccc2[nH]1 ZINC000587176549 FF Annotated Anodyne COc1ncc(F)cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587176562 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1 ZINC000587177101 FF Annotated Anodyne O=C1COc2cc3[nH]c(-c4cc(F)nc(N5CCCC5)c4)nc3cc2N1 ZINC000587177200 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(Cc3c(F)cncc3Cl)[nH]c12 ZINC000587177470 FF Annotated Anodyne Fc1cc(-c2nc3nc(Br)c[nH]c-3n2)cc(N2CCCC2)n1 ZINC000587177583 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(Br)cnc3F)nc12 ZINC000587177823 FF Annotated Anodyne Fc1ncc(Br)cc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587177831 FF Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(Br)cnc3F)[nH]c2n1 ZINC000587177897 FF Annotated Anodyne COC(=O)c1cc2nc(-c3cc(Br)cnc3F)[nH]c2cn1 ZINC000587177977 FF Annotated Anodyne O=C1COc2cc3[nH]c(-c4cc(Br)cnc4F)nc3cc2N1 ZINC000587178002 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(Cl)nc3F)[nH]c12 ZINC000587178040 FF Annotated Anodyne Fc1ncc(Br)cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587178141 FF Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cccnc2[nH]1 ZINC000587178803 FF Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cnccc2[nH]1 ZINC000587179282 FF Annotated Anodyne COc1ccc(-c2nc3cc(=N)[nH]cc3[nH]2)c(I)c1 ZINC000587179540 FF Annotated Anodyne COc1ccc(-c2nc3c(N)ccnc3[nH]2)c(I)c1 ZINC000587179633 FF Annotated Anodyne COc1ccc(-c2nc3cnncc3[nH]2)c(I)c1 ZINC000587179762 FF Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2n1 ZINC000587179894 FF Annotated Unstable COc1ccc(-c2nc3ccnc(O)c3[nH]2)c(I)c1 ZINC000587180070 FF Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cnncc2[nH]1 ZINC000587180202 FF Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cnncc2[nH]1 ZINC000587180204 FF Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2ncc[nH]c-2n1 ZINC000587180301 FF Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2ncc[nH]c-2n1 ZINC000587180303 FF Annotated Anodyne COc1ccc(-c2nc3cc[nH]c(=N)c3[nH]2)c(I)c1 ZINC000587180500 FF Annotated Anodyne COc1ccc(-c2nc3ncc[nH]c-3n2)c(I)c1 ZINC000587180655 FF Annotated Anodyne COc1ccc(-c2nc3cncnc3[nH]2)c(I)c1 ZINC000587180704 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc12 ZINC000587180818 FF Annotated Unstable O=[N+]([O-])c1cncc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12 ZINC000587180843 FF Annotated Unstable O=[N+]([O-])c1cnc2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc2c1 ZINC000587180874 FF Annotated Unstable COC(=O)c1cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2cn1 ZINC000587181134 FF Annotated Unstable CC[C@@H](C)n1ncc(I)c1-c1nc2ncncc2[nH]1 ZINC000587181632 FF Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2ncncc2[nH]1 ZINC000587181633 FF Annotated Anodyne Cc1ccnc2[nH]c([C@@H](C)n3ncc(I)c3C)nc12 ZINC000587181768 FF Annotated Anodyne Cc1ccnc2[nH]c([C@H](C)n3ncc(I)c3C)nc12 ZINC000587181769 FF Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(O)cc2[nH]1 ZINC000587181853 FF Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(O)cc2[nH]1 ZINC000587181854 FF Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cccnc2[nH]1 ZINC000587181920 FF Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cccnc2[nH]1 ZINC000587181921 FF Annotated Anodyne Oc1ncnc2[nH]c(-c3cc(I)ccc3Cl)nc12 ZINC000587181992 FF Annotated Anodyne Cc1ccc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2n1 ZINC000587182002 FF Annotated Anodyne Cc1ccc2nc([C@H](C)n3ncc(I)c3C)[nH]c2n1 ZINC000587182003 FF Annotated Anodyne N=c1[nH]ccc2nc(-c3cc(I)ccc3F)[nH]c12 ZINC000587182097 FF Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(F)cnc2[nH]1 ZINC000587182236 FF Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(F)cnc2[nH]1 ZINC000587182243 FF Annotated Anodyne Nc1ccnc2[nH]c(-c3cc(I)ccc3F)nc12 ZINC000587182271 FF Annotated Anodyne Cc1nccc2[nH]c([C@@H](C)n3ncc(I)c3C)nc12 ZINC000587182431 FF Annotated Anodyne Cc1nccc2[nH]c([C@H](C)n3ncc(I)c3C)nc12 ZINC000587182432 FF Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cccc(O)c2[nH]1 ZINC000587182446 FF Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cccc(O)c2[nH]1 ZINC000587182447 FF Annotated Anodyne Oc1nncc2nc(-c3cc(I)ccc3Cl)[nH]c12 ZINC000587182527 FF Annotated Anodyne Oc1nncc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 ZINC000587182850 FF Annotated Anodyne N=c1[nH]cc2nc(-c3cc(I)ccc3Cl)nc-2[nH]1 ZINC000587182904 FF Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cnccc2[nH]1 ZINC000587182917 FF Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cnccc2[nH]1 ZINC000587182918 FF Annotated Anodyne N=c1[nH]cc2nc(-c3cc(Cl)cc(I)c3)nc-2[nH]1 ZINC000587183023 FF Annotated Anodyne Nc1ncnc2[nH]c(/C=C\c3cccc(I)c3)nc12 ZINC000587183171 FF Annotated Anodyne Nc1ncnc2[nH]c(/C=C/c3cccc(I)c3)nc12 ZINC000587183173 FF Annotated Anodyne N=c1cc2nc(-c3cc(I)ccc3F)[nH]c2c[nH]1 ZINC000587183240 FF Annotated Anodyne Nc1ncnc2[nH]c(-c3cc(I)ccc3Cl)nc12 ZINC000587183370 FF Annotated Anodyne Cc1cnc2[nH]c([C@@H](C)n3ncc(I)c3C)nc2c1 ZINC000587183443 FF Annotated Anodyne Cc1cnc2[nH]c([C@H](C)n3ncc(I)c3C)nc2c1 ZINC000587183444 FF Annotated Anodyne Cc1cncc2nc([C@@H](C)n3ncc(I)c3C)[nH]c12 ZINC000587183455 FF Annotated Anodyne Cc1cncc2nc([C@H](C)n3ncc(I)c3C)[nH]c12 ZINC000587183456 FF Annotated Anodyne Oc1ncnc2[nH]c(/C=C\c3cccc(I)c3)nc12 ZINC000587183584 FF Annotated Anodyne Oc1ncnc2[nH]c(/C=C/c3cccc(I)c3)nc12 ZINC000587183586 FF Annotated Anodyne Oc1ncnc2[nH]c(-c3cc(Cl)cc(I)c3)nc12 ZINC000587183875 FF Annotated Anodyne Nc1ncnc2[nH]c(-c3cc(Cl)cc(I)c3)nc12 ZINC000587183902 FF Annotated Anodyne Oc1nncc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587183962 FF Annotated Anodyne Oc1nncc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587183963 FF Annotated Anodyne COc1cncc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587184109 FF Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3cncc(I)c3)nc2c1 ZINC000587184220 FF Annotated Bother COc1cc2nc(-c3cncc(I)c3)[nH]c2cn1 ZINC000587184637 FF Annotated Anodyne OCCc1ccc2nc(-c3cncc(I)c3)[nH]c2c1 ZINC000587184638 FF Annotated Anodyne O=C(O)c1cccc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587184662 FF Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cnccc2[nH]1 ZINC000587184893 FF Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cnccc2[nH]1 ZINC000587184896 FF Annotated Anodyne Ic1cncc(-c2nc3cc4c(cc3[nH]2)OCO4)c1 ZINC000587184962 FF Annotated Anodyne Clc1c[nH]c2nc(-c3cncc(I)c3)nc-2n1 ZINC000587185061 FF Annotated Anodyne COc1ccc2nc(-c3cncc(I)c3)[nH]c2n1 ZINC000587185079 FF Annotated Anodyne COc1nccc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587185094 FF Annotated Anodyne OCc1ccc2nc(-c3cncc(I)c3)[nH]c2c1 ZINC000587185365 FF Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587185823 FF Annotated Bother Clc1ncnc2[nH]c(-c3cncc(I)c3)nc12 ZINC000587185828 FF Annotated Anodyne Clc1ncc2nc(-c3cncc(I)c3)nc-2[nH]1 ZINC000587185896 FF Annotated Anodyne Cc1cc2[nH]c(-c3nccnc3I)nc2c(C)n1 ZINC000587186004 FF Annotated Anodyne N#Cc1cc2nc(-c3cncc(I)c3)[nH]c2cc1C#N ZINC000587186038 FF Annotated Mild Clc1cc2nc(-c3nccnc3I)[nH]c2cn1 ZINC000587186263 FF Annotated Anodyne Fc1ccc2nc(-c3nccnc3I)[nH]c2c1F ZINC000587186283 FF Annotated Anodyne Clc1cnc2[nH]c(-c3nccnc3I)nc2c1 ZINC000587186331 FF Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cccnc2[nH]1 ZINC000587186514 FF Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cccnc2[nH]1 ZINC000587186515 FF Annotated Anodyne Fc1cc(F)c2[nH]c(-c3nccnc3I)nc2c1 ZINC000587186631 FF Annotated Anodyne COc1cc2nc(-c3nccnc3I)[nH]c2cc1C ZINC000587186651 FF Annotated Anodyne Clc1cncc2nc(-c3nccnc3I)[nH]c12 ZINC000587186652 FF Annotated Anodyne Clc1ccnc2[nH]c(-c3nccnc3I)nc12 ZINC000587186662 FF Annotated Anodyne Clc1nccc2nc(-c3nccnc3I)[nH]c12 ZINC000587186688 FF Annotated Anodyne COc1cc2nc(-c3nccnc3I)[nH]c2cc1F ZINC000587186726 FF Annotated Anodyne Clc1ccc2nc(-c3nccnc3I)[nH]c2n1 ZINC000587186811 FF Annotated Anodyne CC(=O)c1ccc2nc(-c3nccnc3I)[nH]c2c1 ZINC000587186822 FF Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3nccnc3I)nc12 ZINC000587186839 FF Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3nccnc3I)[nH]c12 ZINC000587186841 FF Annotated Bother Fc1cc2nc(-c3nccnc3I)[nH]c2cc1F ZINC000587186842 FF Annotated Anodyne Ic1nccnc1-c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587186859 FF Annotated Anodyne COc1cccc2nc(-c3nccnc3I)[nH]c12 ZINC000587186870 FF Annotated Anodyne Ic1cnc2ccc(-c3nc4cccnc4[nH]3)cn12 ZINC000587187398 FF Annotated Anodyne Ic1cnc2ccc(-c3nc4cnccc4[nH]3)cn12 ZINC000587187620 FF Annotated Anodyne N#Cc1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1O ZINC000587188008 FF Annotated Mild N#Cc1cc(-c2nc3cc(I)cnc3[nH]2)ccc1O ZINC000587189151 FF Annotated Mild CN(C)S(=O)(=O)c1cccc2nc(/C(C#N)=C\c3ccccc3)[nH]c12 ZINC000587189190 FF Annotated Reactive CN(C)S(=O)(=O)c1cccc2nc(/C(C#N)=C/c3ccccc3)[nH]c12 ZINC000587189191 FF Annotated Reactive CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587189635 FF Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587189636 FF Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(N)ncnc2[nH]1 ZINC000587189990 FF Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(N)ncnc2[nH]1 ZINC000587189995 FF Annotated Anodyne CC1=C(c2ccc3nc(COc4ccc(C#N)cc4)[nH]c3c2)NNC(=O)C1 ZINC000587190182 FF Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587190411 FF Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587190421 FF Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H](C)N(C)C)nc2c1 ZINC000587190622 FF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@H](C)N(C)C)nc2c1 ZINC000587190626 FF Annotated Anodyne C[C@@H](Cc1nc2c(I)cnc(Cl)c2[nH]1)N(C)C ZINC000587190662 FF Annotated Anodyne C[C@H](Cc1nc2c(I)cnc(Cl)c2[nH]1)N(C)C ZINC000587190673 FF Annotated Anodyne C=C(CN(C)C)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587190860 FF Annotated Mild CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587190955 FF Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587190959 FF Annotated Anodyne C[C@@H](Cc1nc2c(Br)cnc(Br)c2[nH]1)N(C)C ZINC000587191015 FF Annotated Anodyne C[C@H](Cc1nc2c(Br)cnc(Br)c2[nH]1)N(C)C ZINC000587191020 FF Annotated Anodyne C(=NOCc1ccccc1)c1nc2cc(CN3CCOCC3)ccc2[nH]1 ZINC000587191125 FF Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587191679 FF Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587191681 FF Annotated Mild N#Cc1cc(O)cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000587191997 FF Annotated Mild N#Cc1cc(O)cc(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000587192208 FF Annotated Mild CC1=C(c2ccc3[nH]c(C=NOCc4ccccc4)nc3c2)NNC(=O)C1 ZINC000587192249 FF Annotated Mild CN(CCO)c1ccc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cc1 ZINC000587192902 FF Annotated Clean O=C(O)CCN(CCc1nc2cc3c(cc2[nH]1)OCO3)Cc1ccccc1 ZINC000587193095 FF Annotated Anodyne N#Cc1cc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2cc1C#N ZINC000587193151 FF Annotated Mild O=C(O)CCN(CCc1nc2c(Cl)ncnc2[nH]1)Cc1ccccc1 ZINC000587193190 FF Annotated Anodyne O=C(O)CCN(CCc1nc2cc3cn[nH]c3cc2[nH]1)Cc1ccccc1 ZINC000587193206 FF Annotated Anodyne CN(CCO)c1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)cc1 ZINC000587193270 FF Annotated Clean O=C(O)CCN(CCc1nc2ccc(CO)cc2[nH]1)Cc1ccccc1 ZINC000587193705 FF Annotated Anodyne O=C(O)CCN(CCc1nc2cccc(C(=O)O)c2[nH]1)Cc1ccccc1 ZINC000587193821 FF Annotated Anodyne O=C(O)CCN(CCc1nc2ccc(C(=O)O)cc2[nH]1)Cc1ccccc1 ZINC000587193891 FF Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587193924 FF Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587193925 FF Annotated Anodyne O=C(O)CCN(CCc1nc2ccc(CCO)cc2[nH]1)Cc1ccccc1 ZINC000587193969 FF Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(CCO)cc2[nH]1 ZINC000587194134 FF Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(CCO)cc2[nH]1 ZINC000587194135 FF Annotated Anodyne CN(C)c1ccc(-c2nc3ncc(I)cc3[nH]2)nc1 ZINC000587194249 FF Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587194381 FF Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587194382 FF Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587194642 FF Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587194873 FF Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587194875 FF Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(O)nc(=N)[nH]c3[nH]2)c1 ZINC000587195278 FF Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587195524 FF Annotated Anodyne CN(C)c1ncccc1-c1nc2ncc(I)cc2[nH]1 ZINC000587195842 FF Annotated Anodyne CN(C)c1ncccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587195903 FF Annotated Anodyne COc1cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587196614 FF Annotated Anodyne COc1cc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587196615 FF Annotated Anodyne CN(C)C(=O)Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587196716 FF Annotated Anodyne CN(C)C(=O)Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587196826 FF Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(Cl)ncnc2[nH]1)C[C@@H]1CCCO1 ZINC000587196955 FF Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(Cl)ncnc2[nH]1)C[C@H]1CCCO1 ZINC000587196956 FF Annotated Anodyne COc1cncc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 ZINC000587197017 FF Annotated Anodyne COc1cncc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 ZINC000587197018 FF Annotated Anodyne CC(C)COc1cc2nc(CC(=O)N(C)C)[nH]c2cc1Br ZINC000587197048 FF Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(N)c(N)cc2[nH]1)C[C@H]1CCCO1 ZINC000587197126 FF Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(N)c(N)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587197127 FF Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(CO)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587197170 FF Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(CO)cc2[nH]1)C[C@H]1CCCO1 ZINC000587197172 FF Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CC(=O)N(C)C)[nH]c3c2)cc1 ZINC000587197259 FF Annotated Anodyne CC(C)[C@H](c1nc2ccc(C(=O)NN)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197270 FF Annotated Reactive CC(C)(C)OC(=O)N(Cc1nc2cnc(Cl)[nH]c-2n1)C[C@@H]1CCCO1 ZINC000587197356 FF Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cnc(Cl)[nH]c-2n1)C[C@H]1CCCO1 ZINC000587197357 FF Annotated Anodyne CN(C)C(=O)Cc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587197369 FF Annotated Anodyne CN(C)C(=O)Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587197371 FF Annotated Anodyne CC(C)[C@H](c1nc2nc(C#N)c(C#N)nc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197623 FF Annotated Mild CN(C)C(=O)Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587197656 FF Annotated Anodyne CN(C)C(=O)Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587197659 FF Annotated Anodyne CN(C)C(=O)Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587197666 FF Annotated Anodyne CN(C)C(=O)Cc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587197692 FF Annotated Anodyne CN(C)C(=O)Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587197865 FF Annotated Anodyne COC(=O)c1cc2nc(CC(=O)N(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587197866 FF Annotated Anodyne COc1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2n1 ZINC000587197885 FF Annotated Anodyne COc1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2n1 ZINC000587197886 FF Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cnnc(O)c2[nH]1 ZINC000587197979 FF Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(=N)[nH]cc2[nH]1 ZINC000587198056 FF Annotated Anodyne COc1nccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 ZINC000587198122 FF Annotated Anodyne COc1nccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 ZINC000587198123 FF Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2nc(Cl)c[nH]c-2n1)C[C@@H]1CCCO1 ZINC000587198144 FF Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2nc(Cl)c[nH]c-2n1)C[C@H]1CCCO1 ZINC000587198146 FF Annotated Anodyne CC(C)[C@H](c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)N(C)C(=O)OC(C)(C)C ZINC000587198256 FF Annotated Anodyne CC(C)[C@H](c1nc2c(O)nc(S)nc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587198375 FF Annotated Anodyne CC(C)[C@@H](c1nc2c[nH]c(=N)[nH]c-2n1)N(C)C(=O)OCc1ccccc1 ZINC000587198493 FF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C(C)C)N(C)C)[nH]c2c1 ZINC000587198497 FF Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(O)ncnc2[nH]1 ZINC000587198883 FF Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc[nH]c(=N)c2[nH]1 ZINC000587199056 FF Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587201504 FF Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587201623 FF Annotated Mild CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587201805 FF Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 ZINC000587201869 FF Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587202047 FF Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587202048 FF Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587202055 FF Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587202056 FF Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587202075 FF Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587202076 FF Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc[nH]c(=N)c3[nH]2)c1 ZINC000587202090 FF Annotated Anodyne C=C(NC(C)=O)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587202283 FF Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cnnc(O)c3[nH]2)c1 ZINC000587202678 FF Annotated Anodyne C=C(NC(C)=O)c1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 ZINC000587202927 FF Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587203197 FF Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587203198 FF Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(=N)[nH]cc3[nH]2)c1 ZINC000587204018 FF Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(O)ncnc3[nH]2)c1 ZINC000587204461 FF Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587204675 FF Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587204677 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)C(C)(C)C ZINC000587204776 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)C(C)(C)C ZINC000587204777 FF Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587204958 FF Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587204959 FF Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587205194 FF Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587205195 FF Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587205204 FF Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587205205 FF Annotated Anodyne CC(=O)N[C@H](Cc1nc2nc(Br)c[nH]c-2n1)c1ccc(C)cc1 ZINC000587205774 FF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2nc(Br)c[nH]c-2n1)c1ccc(C)cc1 ZINC000587205776 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H](C(=O)O)[C@@H]3C(=O)O ZINC000587206029 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H](C(=O)O)[C@@H]3C(=O)O ZINC000587206036 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H](C(=O)O)[C@H]3C(=O)O ZINC000587206042 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H](C(=O)O)[C@H]3C(=O)O ZINC000587206047 FF Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H](C(=O)O)[C@@H](C(=O)O)C3 ZINC000587207252 FF Annotated Anodyne CS(=O)(=O)NCCc1cnc2cccc3c2c1-c1ccccc1C3=O ZINC000587209932 FF Annotated Anodyne O=C(O)CS(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)CC3)c(F)c1 ZINC000587210881 FF Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)OCC)c2c1nc1cccc3c1c2CC3 ZINC000587211142 FF Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@@H](C(=O)OCC)c2nc3cccc4c3c(c21)CC4 ZINC000587211143 FF Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@@H](C(=O)OCC)c2c1nc1cccc3c1c2CC3 ZINC000587211144 FF Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)OCC)c2c1nc1cccc3c1c2CC3 ZINC000587211145 FF Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CCc2nc3cccc4c3c(c2C1)CC4 ZINC000587211399 FF Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1cnn(C)c1)c1cc2c3c(cccc3n1)CC2 ZINC000587211626 FF Annotated Anodyne CCOC(=O)[C@@H](OC(=O)c1cnn(C)c1)c1cc2c3c(cccc3n1)CC2 ZINC000587211628 FF Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4cccc5c4c(c3[C@@H]2C[C@@H]1C(=O)O)CC5 ZINC000587211696 FF Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4cccc5c4c(c3[C@H]2C[C@H]1C(=O)O)CC5 ZINC000587211700 FF Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4cccc5c4c(c3[C@@H]2C[C@H]1C(=O)O)CC5 ZINC000587211703 FF Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4cccc5c4c(c3[C@H]2C[C@@H]1C(=O)O)CC5 ZINC000587211706 FF Annotated Anodyne Nc1c(-c2cc3c4c(cccc4n2)CC3)c(O)nc(=O)n1Cc1ccccc1 ZINC000587212213 FF Annotated Anodyne COC(=O)N1C[C@@H]2Cc3c(nc4cccc5c4c3CC5)C[C@@H]2C[C@@H]1C(=O)O ZINC000587212899 FF Annotated Anodyne COC(=O)N1C[C@@H]2Cc3c(nc4cccc5c4c3CC5)C[C@H]2C[C@H]1C(=O)O ZINC000587212901 FF Annotated Anodyne COC(=O)N1C[C@@H]2Cc3c(nc4cccc5c4c3CC5)C[C@@H]2C[C@H]1C(=O)O ZINC000587212902 FF Annotated Anodyne COC(=O)N1C[C@@H]2Cc3c(nc4cccc5c4c3CC5)C[C@H]2C[C@@H]1C(=O)O ZINC000587212904 FF Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1-c1cc2c3c(cccc3n1)CC2 ZINC000587216538 FF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccc(C)cc1 ZINC000587216674 FF Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccc(C)cc1 ZINC000587216675 FF Annotated Anodyne CS(=O)(=O)c1cc2c(nc1O)CCc1c-2nc2cccc3c2c1CC3 ZINC000587216754 FF Annotated Anodyne O=C1c2ccccc2S(=O)(=O)N1Cc1cc2c3c(cccc3n1)CC2 ZINC000587216914 FF Annotated Anodyne COc1ccc(Cc2cc3c4c(cccc4n2)CC3)cc1S(N)(=O)=O ZINC000587217383 FF Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(S)nc(S)nc2[nH]1)c1ccc(C)cc1 ZINC000587217569 FF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(S)nc(S)nc2[nH]1)c1ccc(C)cc1 ZINC000587217574 FF Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1ccc(C)cc1 ZINC000587217741 FF Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1ccc(C)cc1 ZINC000587217745 FF Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cccc(I)c2[nH]1 ZINC000587220435 FF Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cccc(I)c2[nH]1 ZINC000587220437 FF Annotated Anodyne CN[C@H](c1cccnc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587221693 FF Annotated Bother CN[C@@H](c1cccnc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587221694 FF Annotated Bother COc1cc(OC)c2[nH]c(CNC(=O)[C@@H](C)Oc3ccccc3)nc2c1 ZINC000587223348 FF Annotated Anodyne COc1cc(OC)c2[nH]c(CNC(=O)[C@H](C)Oc3ccccc3)nc2c1 ZINC000587223350 FF Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587223695 FF Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587223696 FF Annotated Anodyne COc1cc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2cc1OC ZINC000587223752 FF Annotated Anodyne COc1cc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2cc1OC ZINC000587223753 FF Annotated Anodyne CN[C@H](c1cccnc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587224215 FF Annotated Bother CN[C@@H](c1cccnc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587224216 FF Annotated Bother CN[C@H](c1cccnc1)c1nc2ccc(I)cc2[nH]1 ZINC000587224343 FF Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2ccc(I)cc2[nH]1 ZINC000587224344 FF Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(Cl)ncnc3[nH]2)cc1 ZINC000587224533 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2ccc(C(=O)NN)cc2[nH]1)C1CCCC1 ZINC000587224812 FF Annotated Reactive CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(C(=O)NN)cc2[nH]1)C1CCCC1 ZINC000587224814 FF Annotated Reactive Cc1cc2[nH]c(CNC(=O)[C@@H](C)Oc3ccccc3)nc2cc1[N+](=O)[O-] ZINC000587225007 FF Annotated Bother CN[C@H](c1cccnc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587225022 FF Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587225023 FF Annotated Anodyne Cc1cc2[nH]c(CNC(=O)[C@H](C)Oc3ccccc3)nc2cc1[N+](=O)[O-] ZINC000587225037 FF Annotated Bother C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587226197 FF Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587226199 FF Annotated Anodyne CCOC(=O)CNc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000587226236 FF Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587226303 FF Annotated Mild C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587226304 FF Annotated Mild CC(C)(C)OC(=O)N[C@@H](c1nc2nc(C#N)c(C#N)nc2[nH]1)C1CCCC1 ZINC000587226868 FF Annotated Mild CC(C)(C)OC(=O)N[C@H](c1nc2nc(C#N)c(C#N)nc2[nH]1)C1CCCC1 ZINC000587226870 FF Annotated Mild CCOC(=O)Nc1ccc(C(=O)NCc2nc3cccc(O)c3[nH]2)cc1 ZINC000587227949 FF Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cccc(C#N)c3[nH]2)cc1 ZINC000587228002 FF Annotated Mild CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(C)nccc3[nH]2)cc1 ZINC000587228110 FF Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(C)nc3[nH]2)cc1 ZINC000587228232 FF Annotated Anodyne O=C1CCc2cc3nc(CCNC(=O)OCc4ccccc4)[nH]c3cc2N1 ZINC000587228335 FF Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(C)ccnc3[nH]2)cc1 ZINC000587228398 FF Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C)cnc3[nH]2)cc1 ZINC000587228445 FF Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(C#N)cc3[nH]2)cc1 ZINC000587228490 FF Annotated Mild CCCCCCCC(=O)NCCCc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587228497 FF Annotated Mild CCOC(=O)Nc1ccc(C(=O)NCc2nc3cncc(C)c3[nH]2)cc1 ZINC000587228706 FF Annotated Anodyne CCCCCCCC(=O)NCCCc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587228710 FF Annotated Mild COc1ccc(C)cc1NCCCc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587228928 FF Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587228935 FF Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(F)cnc3[nH]2)cc1 ZINC000587229035 FF Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587229276 FF Annotated Anodyne O=C(O)CNCCNCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587229387 FF Annotated Reactive COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587229905 FF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587229910 FF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587229912 FF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587229915 FF Annotated Anodyne N#Cc1nc2nc(-c3cccnc3NCc3ccccc3)[nH]c2nc1C#N ZINC000587229946 FF Annotated Mild CCNC(=O)CCc1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 ZINC000587230079 FF Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2c1 ZINC000587230114 FF Annotated Anodyne CCOC(=O)c1ccc2nc([C@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2c1 ZINC000587230116 FF Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2c1 ZINC000587230118 FF Annotated Anodyne CCOC(=O)c1ccc2nc([C@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2c1 ZINC000587230119 FF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587230137 FF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587230138 FF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587230139 FF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587230140 FF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587230488 FF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587230490 FF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587230491 FF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587230492 FF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587230829 FF Annotated Bother COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587230830 FF Annotated Bother COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587230832 FF Annotated Bother COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587230833 FF Annotated Bother N=c1nc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c(Cl)[nH]1 ZINC000587231377 FF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587231393 FF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587231399 FF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587231401 FF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587231403 FF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587231740 FF Annotated Mild COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587231741 FF Annotated Mild COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587231742 FF Annotated Mild COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587231743 FF Annotated Mild COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587232318 FF Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587232319 FF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587232320 FF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587232321 FF Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587232561 FF Annotated Bother COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587232562 FF Annotated Bother COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587232563 FF Annotated Bother COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587232564 FF Annotated Bother N#Cc1nc2nc(-c3ccc(CNCc4ccco4)cc3)nc-2[nH]c1C#N ZINC000587232609 FF Annotated Mild Oc1nc(S)nc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 ZINC000587232657 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587232779 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587232850 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)nc12 ZINC000587232985 FF Annotated Anodyne COC(=O)c1ccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2n1 ZINC000587233035 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)nc12 ZINC000587233077 FF Annotated Anodyne COC(=O)c1ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2n1 ZINC000587233121 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587233212 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587233215 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587233245 FF Annotated Anodyne CC(=O)NC1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CCC(C)CC1 ZINC000587233730 FF Annotated Bother CNC(=O)[C@H]1C[C@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587233760 FF Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587233761 FF Annotated Anodyne CNC(=O)[C@H]1C[C@@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587233762 FF Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587233764 FF Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587233771 FF Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587233772 FF Annotated Anodyne CNC(=O)[C@H]1C[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587233773 FF Annotated Anodyne CNC(=O)[C@H]1C[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587233774 FF Annotated Anodyne COC(=O)c1cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587233981 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(O)nc(S)nc2[nH]1 ZINC000587234003 FF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(CO)cc3[nH]2)CCC(=O)CC1 ZINC000587234103 FF Annotated Anodyne COC(=O)c1cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587234257 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(O)nc(S)nc2[nH]1 ZINC000587234292 FF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3nc(Cl)c[nH]c-3n2)CCC(=O)CC1 ZINC000587234378 FF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cnc(Cl)[nH]c-3n2)CCC(=O)CC1 ZINC000587234385 FF Annotated Anodyne COC(=O)c1cc2[nH]c(C3(NC(C)=O)CCC(C)CC3)nc2cc1OC ZINC000587234492 FF Annotated Anodyne CC(=O)NC1(c2nc3nc(Br)c[nH]c-3n2)CCC(C)CC1 ZINC000587234516 FF Annotated Anodyne COc1cncc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c12 ZINC000587234538 FF Annotated Anodyne CC(=O)NC1(c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)CCC(C)CC1 ZINC000587234587 FF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(C(N)=O)cc3[nH]2)CCC(=O)CC1 ZINC000587234596 FF Annotated Anodyne COC(=O)c1ccc2nc(C3(NC(C)=O)CCC(C)CC3)[nH]c2c1OC ZINC000587234624 FF Annotated Anodyne COc1nccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c12 ZINC000587234650 FF Annotated Anodyne COc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2n1 ZINC000587234766 FF Annotated Anodyne COc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2cn1 ZINC000587234789 FF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(N)c(N)cc3[nH]2)CCC(=O)CC1 ZINC000587234800 FF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(Cl)ncnc3[nH]2)CCC(=O)CC1 ZINC000587234911 FF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(CCO)cc3[nH]2)CCC(=O)CC1 ZINC000587234964 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587235406 FF Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587235461 FF Annotated Mild CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c(O)nc(S)nc2[nH]1 ZINC000587235718 FF Annotated Anodyne CNC(=O)[C@H]1C[C@H]1c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000587235849 FF Annotated Anodyne CNC(=O)[C@H]1C[C@@H]1c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000587235850 FF Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000587235851 FF Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000587235852 FF Annotated Anodyne CCCOc1cc2nc([C@@H]3C[C@@H]3C(=O)NC)[nH]c2cc1Br ZINC000587236133 FF Annotated Anodyne CCCOc1cc2nc([C@H]3C[C@H]3C(=O)NC)[nH]c2cc1Br ZINC000587236134 FF Annotated Anodyne CCCOc1cc2nc([C@H]3C[C@@H]3C(=O)NC)[nH]c2cc1Br ZINC000587236135 FF Annotated Anodyne CCCOc1cc2nc([C@@H]3C[C@H]3C(=O)NC)[nH]c2cc1Br ZINC000587236136 FF Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587236509 FF Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587236512 FF Annotated Anodyne CNC(=O)[C@H]1C[C@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587236513 FF Annotated Anodyne CNC(=O)[C@H]1C[C@@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587236515 FF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3nc(Cl)c[nH]c-3n2)CCC(O)CC1 ZINC000587236516 FF Annotated Anodyne COc1cncc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c12 ZINC000587236700 FF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(Cl)ncnc3[nH]2)CCC(O)CC1 ZINC000587236959 FF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(C(=N)N)cc3[nH]2)CCC(O)CC1 ZINC000587236968 FF Annotated Anodyne COc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2cn1 ZINC000587237003 FF Annotated Anodyne COc1nccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c12 ZINC000587237230 FF Annotated Anodyne COc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2n1 ZINC000587237298 FF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(F)cnc3[nH]2)CCC(O)CC1 ZINC000587237557 FF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(CO)cc3[nH]2)CCC(O)CC1 ZINC000587237571 FF Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cnc(Cl)[nH]c-3n2)CCC(O)CC1 ZINC000587237776 FF Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(NC(N)=O)c3C)[nH]c2c1OC ZINC000587238083 FF Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3nc(Br)c[nH]c-3n2)c1C ZINC000587238668 FF Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1C ZINC000587239207 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ncc[nH]c-3n2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239668 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ncc[nH]c-3n2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239669 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ncc[nH]c-3n2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239670 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ncc[nH]c-3n2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239671 FF Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1C ZINC000587239881 FF Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c[nH]c(=N)[nH]c-3n2)c(O)c1 ZINC000587239900 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cncnc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239981 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cncnc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239984 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cncnc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239985 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cncnc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239986 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cnncc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240796 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cnncc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240797 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cnncc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240798 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cnncc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240799 FF Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c(S(=O)(=O)N(C)C)cccc2[nH]1 ZINC000587241320 FF Annotated Anodyne CC(=O)Nc1cccc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 ZINC000587242233 FF Annotated Bother CC(C)(C)C(=O)Nc1cccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000587242328 FF Annotated Anodyne COC(=O)c1ccc2nc(Cc3cccc(NC(C)=O)c3)[nH]c2c1OC ZINC000587242469 FF Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c2n1 ZINC000587244211 FF Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cn1 ZINC000587244268 FF Annotated Anodyne NCCOCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587244338 FF Annotated Anodyne CC1=C(c2ccc3nc(/C=C\C(=O)Nc4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587244577 FF Annotated Anodyne CC1=C(c2ccc3nc(/C=C/C(=O)Nc4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587244579 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccc(NC(=O)C(C)(C)C)nc3)nc12 ZINC000587244835 FF Annotated Anodyne CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cn1 ZINC000587245114 FF Annotated Anodyne NCCOCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587245197 FF Annotated Anodyne NCCOCCOCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587245487 FF Annotated Anodyne NCCOCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587245513 FF Annotated Anodyne COC(=O)c1cc2nc(COCCN)[nH]c2c(F)c1Nc1ccccc1 ZINC000587245845 FF Annotated Anodyne COC(=O)c1cccc2nc([C@]3(N)CCc4cc(OC)ccc4C3)[nH]c12 ZINC000587245958 FF Annotated Anodyne COC(=O)c1cccc2nc([C@@]3(N)CCc4cc(OC)ccc4C3)[nH]c12 ZINC000587245959 FF Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc([C@@H](N)N=O)cc3[nH]1)C2 ZINC000587246024 FF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc([C@H](N)N=O)cc3[nH]1)C2 ZINC000587246027 FF Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc([C@H](N)N=O)cc3[nH]1)C2 ZINC000587246028 FF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc([C@@H](N)N=O)cc3[nH]1)C2 ZINC000587246029 FF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)C2 ZINC000587246031 FF Annotated Bother COc1ccc2c(c1)CC[C@@](N)(c1nc3cc([N+](=O)[O-])c(F)cc3[nH]1)C2 ZINC000587246033 FF Annotated Bother NCCOCCOCCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587246044 FF Annotated Anodyne NCCOCCOCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587246063 FF Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4CC[C@@H]4N)[nH]c3c2)cc1 ZINC000587246114 FF Annotated Anodyne NCc1cccc(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000587246122 FF Annotated Anodyne N[C@@H]1CC[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)C1 ZINC000587246258 FF Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cnc(C(F)(F)F)[nH]c-3n1)C2 ZINC000587246307 FF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cnc(C(F)(F)F)[nH]c-3n1)C2 ZINC000587246312 FF Annotated Anodyne NCCOCCOCCc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587246338 FF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Cl)nc(C#N)c3[nH]1)C2 ZINC000587246495 FF Annotated Mild COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Cl)nc(C#N)c3[nH]1)C2 ZINC000587246501 FF Annotated Mild CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c(O)nc(=N)[nH]c2[nH]1 ZINC000587246740 FF Annotated Anodyne NCCOCCOCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587246750 FF Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(COCCN)[nH]c4c3)o2)cc1 ZINC000587246790 FF Annotated Anodyne NCCOCCOCCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587246923 FF Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(C(=O)N(C)C)cc3[nH]1)C2 ZINC000587246936 FF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(C(=O)N(C)C)cc3[nH]1)C2 ZINC000587246938 FF Annotated Anodyne N[C@]1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CCOC1 ZINC000587247229 FF Annotated Anodyne N[C@@]1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CCOC1 ZINC000587247230 FF Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(F)cc(C(=O)O)c3[nH]1)C2 ZINC000587247328 FF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(F)cc(C(=O)O)c3[nH]1)C2 ZINC000587247330 FF Annotated Anodyne N[C@]1(c2nc3c(Br)ccc(Br)c3[nH]2)CCOC1 ZINC000587247345 FF Annotated Anodyne N[C@@]1(c2nc3c(Br)ccc(Br)c3[nH]2)CCOC1 ZINC000587247346 FF Annotated Anodyne N[C@]1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CCOC1 ZINC000587247352 FF Annotated Anodyne N[C@@]1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CCOC1 ZINC000587247353 FF Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc4c(cc3[nH]1)NC(=O)CC4)C2 ZINC000587247382 FF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc4c(cc3[nH]1)NC(=O)CC4)C2 ZINC000587247383 FF Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(OC)c(OC)cc3[nH]1)C2 ZINC000587247386 FF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(OC)c(OC)cc3[nH]1)C2 ZINC000587247387 FF Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(C(=O)O)c(F)cc3[nH]1)C2 ZINC000587247514 FF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(C(=O)O)c(F)cc3[nH]1)C2 ZINC000587247515 FF Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(OC)cc(OC)c3[nH]1)C2 ZINC000587247517 FF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(OC)cc(OC)c3[nH]1)C2 ZINC000587247518 FF Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc4c(cc3[nH]1)OCCO4)C2 ZINC000587247609 FF Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc4c(cc3[nH]1)OCCO4)C2 ZINC000587247610 FF Annotated Anodyne CC(C)COc1cc2nc([C@]3(N)CCOC3)[nH]c2cc1Br ZINC000587247624 FF Annotated Anodyne CC(C)COc1cc2nc([C@@]3(N)CCOC3)[nH]c2cc1Br ZINC000587247625 FF Annotated Anodyne COC(=O)c1ccc2nc([C@]3(N)CCc4cc(OC)ccc4C3)[nH]c2c1 ZINC000587247646 FF Annotated Anodyne COC(=O)c1ccc2nc([C@@]3(N)CCc4cc(OC)ccc4C3)[nH]c2c1 ZINC000587247647 FF Annotated Anodyne N[C@]1(c2nc3cc(Br)c(Br)cc3[nH]2)CCOC1 ZINC000587247825 FF Annotated Anodyne N[C@@]1(c2nc3cc(Br)c(Br)cc3[nH]2)CCOC1 ZINC000587247826 FF Annotated Anodyne Nc1cccc(-c2nc3c(F)cnc(Br)c3[nH]2)c1C(=O)O ZINC000587248028 FF Annotated Anodyne N[C@]1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CCOC1 ZINC000587248062 FF Annotated Anodyne N[C@@]1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CCOC1 ZINC000587248063 FF Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587248222 FF Annotated Anodyne Nc1cccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1C(=O)O ZINC000587248241 FF Annotated Anodyne COC(=O)c1cc2nc([C@]3(N)CCOC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587248387 FF Annotated Anodyne COC(=O)c1cc2nc([C@@]3(N)CCOC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587248388 FF Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@]4(N)CCOC4)[nH]c3c2)cc1 ZINC000587248561 FF Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@]4(N)CCOC4)[nH]c3c2)cc1 ZINC000587248563 FF Annotated Anodyne N[C@]1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CCOC1 ZINC000587248565 FF Annotated Anodyne N[C@@]1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CCOC1 ZINC000587248566 FF Annotated Anodyne N[C@]1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CCOC1 ZINC000587248568 FF Annotated Anodyne N[C@@]1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CCOC1 ZINC000587248570 FF Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587248574 FF Annotated Anodyne N[C@]1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CCOC1 ZINC000587248601 FF Annotated Anodyne N[C@@]1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CCOC1 ZINC000587248602 FF Annotated Anodyne N=c1cc[nH]cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587248743 FF Annotated Anodyne N[C@]1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CCOC1 ZINC000587248846 FF Annotated Anodyne N[C@@]1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CCOC1 ZINC000587248848 FF Annotated Anodyne Cc1nc2[nH]c(Cc3ccc(C(=O)O)cc3N)nc2cc1Br ZINC000587248960 FF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(Cc3ccc(C(=O)O)cc3N)nc2c1 ZINC000587249004 FF Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2c1 ZINC000587249042 FF Annotated Anodyne Nc1cc(C(=O)O)cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000587249270 FF Annotated Anodyne N=c1cc[nH]cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587249284 FF Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587249331 FF Annotated Anodyne Nc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1CC(=O)O ZINC000587249345 FF Annotated Anodyne Nc1cc(-c2nc3ccc(Br)c(O)c3[nH]2)ccc1CC(=O)O ZINC000587249399 FF Annotated Anodyne Nc1cccc(O)c1-c1nc2cc(I)cnc2[nH]1 ZINC000587249773 FF Annotated Anodyne Nc1cc(C(=O)O)cc(-c2nc3c(F)cnc(Br)c3[nH]2)c1 ZINC000587249924 FF Annotated Anodyne N#Cc1cc(-c2nc3cc(I)cnc3[nH]2)ccc1N ZINC000587250016 FF Annotated Mild N#Cc1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1N ZINC000587250040 FF Annotated Mild Nc1cc(C(=O)O)ccc1Cc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587250194 FF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3c[nH]ccc3=N)nc2c1 ZINC000587250262 FF Annotated Anodyne COc1cc(C)c(N)c(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c1 ZINC000587250416 FF Annotated Anodyne Nc1cc(-c2nc3c(F)cnc(Br)c3[nH]2)ccc1CC(=O)O ZINC000587250478 FF Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587250499 FF Annotated Anodyne CC1=C(c2ccc3nc(CCc4ccc(C)c(N)c4)[nH]c3c2)NNC(=O)C1 ZINC000587250539 FF Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587250690 FF Annotated Anodyne COC(=O)c1ccc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2c1OC ZINC000587251218 FF Annotated Anodyne Nc1ccc(C(=O)CCc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 ZINC000587251585 FF Annotated Anodyne COC(=O)c1cc2[nH]c(CCC(=O)c3ccc(N)cc3)nc2cc1OC ZINC000587252013 FF Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000587252075 FF Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3cc4cc(N)ccc4o3)[nH]c12 ZINC000587252605 FF Annotated Anodyne COc1cncc(N)c1-c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 ZINC000587252700 FF Annotated Bother Nc1cnc(-c2nc3c(Br)ncc(Br)c3[nH]2)nc1 ZINC000587252778 FF Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3ncc(N)cn3)[nH]c2c1 ZINC000587252802 FF Annotated Anodyne COc1cncc(N)c1-c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 ZINC000587252900 FF Annotated Bother COc1cncc(N)c1-c1nc2c(C(=O)O)cc(Br)cc2[nH]1 ZINC000587253019 FF Annotated Anodyne Nc1ncccc1Cc1nc2ccc(I)cc2[nH]1 ZINC000587253269 FF Annotated Anodyne CCCOc1cc2nc(-c3c[nH]c(=N)nc3O)[nH]c2cc1Br ZINC000587253298 FF Annotated Anodyne N=c1nc(O)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c[nH]1 ZINC000587253305 FF Annotated Anodyne N=c1nc(O)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c[nH]1 ZINC000587253317 FF Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(=N)[nH]c5ccccc45)[nH]c3c2)NNC(=O)C1 ZINC000587253500 FF Annotated Anodyne N=c1nc(O)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c[nH]1 ZINC000587253535 FF Annotated Anodyne COc1cncc(N)c1-c1nc2c(I)cccc2[nH]1 ZINC000587253540 FF Annotated Anodyne N=c1nc(O)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c[nH]1 ZINC000587253620 FF Annotated Anodyne Nc1ncccc1Cc1nc2cccc(I)c2[nH]1 ZINC000587253852 FF Annotated Anodyne Cc1c(Br)cc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c2c1C ZINC000587253883 FF Annotated Anodyne COc1cncc(N)c1-c1nc2cc(I)ccc2[nH]1 ZINC000587253982 FF Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cc3ccc(=N)[nH]c3)nc2c1 ZINC000587254001 FF Annotated Anodyne Nc1ncccc1Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587254041 FF Annotated Clean N=c1ccc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c[nH]1 ZINC000587254079 FF Annotated Clean N=c1ncc(-c2cccc(-c3nc4nc(Br)c[nH]c-4n3)c2)c[nH]1 ZINC000587254129 FF Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)c[nH]1 ZINC000587254130 FF Annotated Anodyne CC(C)Oc1cc2nc(-c3c[nH]c(=N)nc3O)[nH]c2cc1Br ZINC000587254177 FF Annotated Anodyne CC1(C)OC(=O)C(c2nc3cc(Cl)cc(Br)c3[nH]2)=C1N ZINC000587254322 FF Annotated Anodyne N=c1ccc(Cc2nc3ccc(I)cc3[nH]2)c[nH]1 ZINC000587254496 FF Annotated Anodyne N=c1ncc(-c2cccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c2)c[nH]1 ZINC000587254589 FF Annotated Anodyne COc1cncc(N)c1-c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O ZINC000587254709 FF Annotated Clean COC(=O)c1cc(Br)c2[nH]c(Cc3cccnc3N)nc2c1 ZINC000587254829 FF Annotated Anodyne N=c1ccc(Cc2nc3cccc(I)c3[nH]2)c[nH]1 ZINC000587254845 FF Annotated Anodyne Nc1cncc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587254940 FF Annotated Anodyne CC1(C)OC(=O)C(c2nc3cc(Br)c(F)c(F)c3[nH]2)=C1N ZINC000587254968 FF Annotated Anodyne CC1(C)OC(=O)C(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)=C1N ZINC000587254969 FF Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CC3CC(N)C3)nc2c1 ZINC000587255255 FF Annotated Anodyne N[C@@H](c1nc2cc(Br)c(Br)cc2[nH]1)C1COC1 ZINC000587255290 FF Annotated Anodyne N[C@@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C1COC1 ZINC000587255308 FF Annotated Anodyne CC1(C)OC(=O)C(c2nc3cc(Br)cc(Cl)c3[nH]2)=C1N ZINC000587255374 FF Annotated Anodyne CC1(C)OC(=O)C(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)=C1N ZINC000587255414 FF Annotated Clean N[C@@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C1COC1 ZINC000587255498 FF Annotated Anodyne N[C@@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C1COC1 ZINC000587255535 FF Annotated Anodyne N[C@@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C1COC1 ZINC000587255551 FF Annotated Anodyne N[C@@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C1COC1 ZINC000587255580 FF Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](N)C4COC4)[nH]c3c2)cc1 ZINC000587255762 FF Annotated Anodyne NC1CC(Cc2nc3c(Br)cnc(Br)c3[nH]2)C1 ZINC000587255795 FF Annotated Anodyne N[C@@H](c1nc2c(Br)ccc(Br)c2[nH]1)C1COC1 ZINC000587255903 FF Annotated Anodyne COC(=O)c1cc2nc([C@H](N)C3COC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587255921 FF Annotated Anodyne N[C@@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C1COC1 ZINC000587256034 FF Annotated Anodyne Cc1c(Br)cnc2[nH]c(CC[C@@H](N)C(=O)OC(C)(C)C)nc12 ZINC000587256183 FF Annotated Anodyne N[C@@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C1COC1 ZINC000587256209 FF Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587256686 FF Annotated Anodyne Cc1nc2[nH]c(CC[C@@H](N)C(=O)OC(C)(C)C)nc2cc1Br ZINC000587256721 FF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CC[C@@H](N)C(=O)OC(C)(C)C)nc2c1 ZINC000587256750 FF Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cccc(Br)c2[nH]1 ZINC000587256760 FF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C3CCC(N)CC3)[nH]c2c1 ZINC000587256891 FF Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587256936 FF Annotated Bother CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(Br)cc2[nH]1 ZINC000587256952 FF Annotated Anodyne C=CC[C@@](C)(N)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587257912 FF Annotated Mild N[C@@H](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)c1cccc2ccccc12 ZINC000587258269 FF Annotated Anodyne N[C@@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)c1cccc2ccccc12 ZINC000587258534 FF Annotated Anodyne N[C@@H](Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)c1cccc2ccccc12 ZINC000587258827 FF Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c12 ZINC000587258917 FF Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3ccc(Br)cc3[nH]2)c1 ZINC000587258961 FF Annotated Anodyne COC(=O)CC[C@H](N)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587259009 FF Annotated Anodyne N#Cc1cc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c2cc1C(F)(F)F ZINC000587259063 FF Annotated Mild C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587259090 FF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587259097 FF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587259099 FF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587259102 FF Annotated Bother NC(=O)c1cccc(C[C@H](N)c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 ZINC000587259413 FF Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cccc(Br)c3[nH]2)c1 ZINC000587259535 FF Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c12 ZINC000587259542 FF Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 ZINC000587259562 FF Annotated Anodyne CC(C)[C@H](N)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587259564 FF Annotated Anodyne Cc1cc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c2cc1Br ZINC000587259751 FF Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](N)Cc3cccc(C(N)=O)c3)nc2c1 ZINC000587259895 FF Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 ZINC000587259966 FF Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587260060 FF Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 ZINC000587260522 FF Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 ZINC000587260665 FF Annotated Anodyne COc1cc(-c2nc3c(S)nc(S)nc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260731 FF Annotated Bother COC(=O)c1cccc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c12 ZINC000587260790 FF Annotated Bother COc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(OC)c([N+](=O)[O-])c1 ZINC000587260847 FF Annotated Bother COc1cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260933 FF Annotated Bother COc1cc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260962 FF Annotated Bother COc1cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261045 FF Annotated Bother COc1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(OC)c([N+](=O)[O-])c1 ZINC000587261118 FF Annotated Bother COC(=O)c1ccc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c2c1 ZINC000587261151 FF Annotated Bother COc1cc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261193 FF Annotated Bother COc1cc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261194 FF Annotated Bother COc1cc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261237 FF Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc[nH]c(=N)c2[nH]1 ZINC000587261272 FF Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc[nH]c(=N)c2[nH]1 ZINC000587261273 FF Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ncc[nH]c-2n1 ZINC000587261290 FF Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ncc[nH]c-2n1 ZINC000587261291 FF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)nc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261366 FF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)nc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261367 FF Annotated Bother Cc1cc(C#Cc2nc3nc(Br)c[nH]c-3n2)ccc1[N+](=O)[O-] ZINC000587261396 FF Annotated Mild O=CC(C=O)c1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1[N+](=O)[O-] ZINC000587261406 FF Annotated Mild C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)nc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261425 FF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)nc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261426 FF Annotated Bother COc1cc(OCc2nc3cc4c(cc3[nH]2)OCCO4)ccc1[N+](=O)[O-] ZINC000587261440 FF Annotated Bother Cc1cc(C#Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261472 FF Annotated Mild C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261499 FF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261502 FF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261504 FF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261506 FF Annotated Bother O=CC(C=O)c1ccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587261522 FF Annotated Mild Cc1cc2[nH]c(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)nc2cc1[N+](=O)[O-] ZINC000587261527 FF Annotated Mild C[C@@H]1CC(=O)[C@H](Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261536 FF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261546 FF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261547 FF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261549 FF Annotated Bother COc1cc(OCc2nc3cc4nc(O)[nH]c4cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261575 FF Annotated Bother COC(=O)c1cc2[nH]c(C#Cc3ccc([N+](=O)[O-])c(C)c3)nc2cc1OC ZINC000587261658 FF Annotated Mild COC(=O)c1ccc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2n1 ZINC000587261687 FF Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(N)ccnc2[nH]1 ZINC000587261861 FF Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(N)ccnc2[nH]1 ZINC000587261862 FF Annotated Bother Cc1c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cccc1[N+](=O)[O-] ZINC000587261894 FF Annotated Bother COc1cc(OC)c2[nH]c(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)nc2c1 ZINC000587261972 FF Annotated Mild N#Cc1nc(Cl)cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c12 ZINC000587261991 FF Annotated Mild COCCNc1ccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587262306 FF Annotated Bother COCCNc1ccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587262307 FF Annotated Bother COCCNc1ccc(-c2nc3ccc(CCO)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587262335 FF Annotated Bother COC(=O)c1cc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2cn1 ZINC000587262351 FF Annotated Bother COc1cc(OCc2nc3cc(C(=O)O)c(F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262479 FF Annotated Bother CC(=O)c1ccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587262550 FF Annotated Mild COc1cc(OCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)ccc1[N+](=O)[O-] ZINC000587262556 FF Annotated Bother COc1cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2cc1C ZINC000587262650 FF Annotated Mild COc1cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2cc1F ZINC000587262684 FF Annotated Mild Cc1cnc(Cl)c2[nH]c(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)nc12 ZINC000587262722 FF Annotated Mild O=CC(C=O)c1ccc(-c2nc3c(F)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262765 FF Annotated Mild COC(=O)c1ccc2nc(C#Cc3ccc([N+](=O)[O-])c(C)c3)[nH]c2c1OC ZINC000587262810 FF Annotated Mild Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 ZINC000587262913 FF Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 ZINC000587262979 FF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Br)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263158 FF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Br)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263159 FF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Br)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263161 FF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Br)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263162 FF Annotated Bother COc1cc(OCc2nc3cc(Cl)nc(C#N)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587263255 FF Annotated Mild COc1cc(OCc2nc3cc(F)cc(C(=O)O)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587263272 FF Annotated Bother COC(=O)c1ccnc2[nH]c(CCOc3cc(C)ccc3[N+](=O)[O-])nc12 ZINC000587263310 FF Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cnncc2[nH]1 ZINC000587263336 FF Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cnncc2[nH]1 ZINC000587263338 FF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3c(Cl)cnc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263347 FF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Cl)cnc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263348 FF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Cl)cnc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263349 FF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3c(Cl)cnc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263351 FF Annotated Bother COc1cc(OCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263364 FF Annotated Bother COc1cc(OCc2nc3ccc([C@H](N)N=O)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263366 FF Annotated Bother O=C(O)c1cc(F)cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 ZINC000587263502 FF Annotated Bother N#Cc1nc(Cl)cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 ZINC000587263503 FF Annotated Mild COC(=O)c1cccc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c12 ZINC000587263600 FF Annotated Bother COc1cc(OCc2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc1[N+](=O)[O-] ZINC000587263612 FF Annotated Bother COc1cc(OCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263613 FF Annotated Bother COC(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2c1 ZINC000587263630 FF Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587263860 FF Annotated Bother COc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Cl ZINC000587263910 FF Annotated Bother COc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Cl ZINC000587263912 FF Annotated Bother COc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Cl ZINC000587263915 FF Annotated Bother COc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Cl ZINC000587263917 FF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263977 FF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263980 FF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263983 FF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263984 FF Annotated Bother COc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1OC ZINC000587264026 FF Annotated Bother COc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cn1 ZINC000587264082 FF Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587264191 FF Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587264211 FF Annotated Bother COCCNc1ccc(-c2nc3cccc(C(=O)OC)c3[nH]2)cc1[N+](=O)[O-] ZINC000587264216 FF Annotated Bother O=C1CCc2cc3nc(Cc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3cc2N1 ZINC000587264295 FF Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(=N)[nH]cc2[nH]1 ZINC000587264356 FF Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(=N)[nH]cc2[nH]1 ZINC000587264357 FF Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cncnc2[nH]1 ZINC000587264414 FF Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cncnc2[nH]1 ZINC000587264415 FF Annotated Bother COc1cncc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 ZINC000587264482 FF Annotated Bother COc1nccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 ZINC000587264494 FF Annotated Bother N[C@@H](N=O)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000587264515 FF Annotated Bother N[C@H](N=O)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000587264516 FF Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(N)c(N)cc2[nH]1 ZINC000587264531 FF Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587264589 FF Annotated Bother Cc1cc2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc2cc1[N+](=O)[O-] ZINC000587264690 FF Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587264738 FF Annotated Bother Cc1cnc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2c1 ZINC000587264879 FF Annotated Bother Cc1cnc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2c1 ZINC000587264880 FF Annotated Bother Cc1cnc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2c1 ZINC000587264881 FF Annotated Bother Cc1cnc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2c1 ZINC000587264882 FF Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cc4c(cc3[nH]2)OCCO4)c([N+](=O)[O-])c1 ZINC000587264934 FF Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587264948 FF Annotated Bother CN(C)C(=O)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000587264954 FF Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnc(Cl)[nH]c-2n1 ZINC000587265075 FF Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)c([N+](=O)[O-])c1 ZINC000587265091 FF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000587265113 FF Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000587265116 FF Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000587265117 FF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000587265118 FF Annotated Bother COCCOc1ccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587265266 FF Annotated Bother COCCOc1ccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587265271 FF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)F)cnc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265276 FF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)F)cnc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265278 FF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)F)cnc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265279 FF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)F)cnc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265280 FF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3c(Cl)c(Cl)cnc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265325 FF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Cl)c(Cl)cnc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265327 FF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Cl)c(Cl)cnc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265328 FF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3c(Cl)c(Cl)cnc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265330 FF Annotated Bother O=C(O)c1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1F ZINC000587265502 FF Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587265581 FF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)c(Cl)nc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265692 FF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)c(Cl)nc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265695 FF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)c(Cl)nc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265699 FF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)c(Cl)nc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265702 FF Annotated Bother COCCOc1ccc(-c2nc3cccc(C(=O)O)c3[nH]2)cc1[N+](=O)[O-] ZINC000587265706 FF Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccnc(O)c2[nH]1 ZINC000587265907 FF Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccnc(O)c2[nH]1 ZINC000587265908 FF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)F)ncc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265918 FF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)F)ncc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265922 FF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)F)ncc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587265926 FF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)F)ncc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587265930 FF Annotated Bother N#Cc1cc(Cl)c2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc2c1 ZINC000587265958 FF Annotated Mild N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587265961 FF Annotated Bother COc1cc(OC)c2[nH]c(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1 ZINC000587266004 FF Annotated Bother N#Cc1nc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc-2[nH]c1C#N ZINC000587266131 FF Annotated Mild Cc1nccc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc12 ZINC000587266160 FF Annotated Bother Cc1nccc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc12 ZINC000587266161 FF Annotated Bother Cc1nccc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc12 ZINC000587266162 FF Annotated Bother Cc1nccc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc12 ZINC000587266164 FF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)[C@H]1C[N+](=O)[O-] ZINC000587266197 FF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)[C@@H]1C[N+](=O)[O-] ZINC000587266203 FF Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)[C@@H]1C[N+](=O)[O-] ZINC000587266206 FF Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)[C@H]1C[N+](=O)[O-] ZINC000587266207 FF Annotated Bother COc1ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2n1 ZINC000587266378 FF Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587266422 FF Annotated Bother Cc1cncc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c12 ZINC000587266620 FF Annotated Bother Cc1cncc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c12 ZINC000587266621 FF Annotated Bother Cc1cncc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c12 ZINC000587266622 FF Annotated Bother Cc1cncc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c12 ZINC000587266623 FF Annotated Bother Cc1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2n1 ZINC000587266755 FF Annotated Bother Cc1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2n1 ZINC000587266756 FF Annotated Bother Cc1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2n1 ZINC000587266757 FF Annotated Bother Cc1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2n1 ZINC000587266758 FF Annotated Bother Cc1nn(Cc2ccccc2-c2nc3c(N)ccnc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587266833 FF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cncc(Br)c2[nH]1 ZINC000587266894 FF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cncc(Br)c2[nH]1 ZINC000587266899 FF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587266926 FF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587266927 FF Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)ncnc2[nH]1 ZINC000587266932 FF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587266950 FF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587266951 FF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587266964 FF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587266970 FF Annotated Bother Cc1ccnc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc12 ZINC000587266999 FF Annotated Bother Cc1ccnc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc12 ZINC000587267000 FF Annotated Bother Cc1ccnc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc12 ZINC000587267001 FF Annotated Bother Cc1ccnc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc12 ZINC000587267002 FF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccnc(Br)c2[nH]1 ZINC000587267044 FF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccnc(Br)c2[nH]1 ZINC000587267045 FF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Br)cnc2[nH]1 ZINC000587267048 FF Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(O)c2[nH]1 ZINC000587267067 FF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(O)c2[nH]1 ZINC000587267068 FF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(O)c2[nH]1 ZINC000587267070 FF Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(O)c2[nH]1 ZINC000587267072 FF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccnc(Br)c2[nH]1 ZINC000587267133 FF Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(O)cc2[nH]1 ZINC000587267144 FF Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(O)cc2[nH]1 ZINC000587267145 FF Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(O)cc2[nH]1 ZINC000587267146 FF Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(O)cc2[nH]1 ZINC000587267147 FF Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2nc(Cl)c[nH]c-2n1 ZINC000587267179 FF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(Br)nc2[nH]1 ZINC000587267254 FF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c(Br)ccnc2[nH]1 ZINC000587267261 FF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Br)ncc2[nH]1 ZINC000587267427 FF Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587267585 FF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587267612 FF Annotated Bother COC(=O)c1cc2[nH]c(Cc3c([N+](=O)[O-])cnn3C(C)C)nc2cc1OC ZINC000587267641 FF Annotated Bother COC(=O)c1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c1OC ZINC000587267704 FF Annotated Bother N#Cc1cc(Br)c2[nH]c(-c3cnc(N)c([N+](=O)[O-])c3)nc2c1 ZINC000587267745 FF Annotated Mild Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Br)ncc2[nH]1 ZINC000587267759 FF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Br)ncc2[nH]1 ZINC000587267760 FF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(Br)nc2[nH]1 ZINC000587267766 FF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(Br)nc2[nH]1 ZINC000587267767 FF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Br)cnc2[nH]1 ZINC000587267780 FF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Br)cnc2[nH]1 ZINC000587267781 FF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(Br)ccnc2[nH]1 ZINC000587267787 FF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(Br)ccnc2[nH]1 ZINC000587267788 FF Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(=N)[nH]cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267791 FF Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc[nH]c(=N)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267822 FF Annotated Bother Nc1ncc(-c2nc3c(Cl)c(Br)cnc3[nH]2)cc1[N+](=O)[O-] ZINC000587267967 FF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587267969 FF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587268032 FF Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587268036 FF Annotated Bother CCOC(=O)Cc1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c1 ZINC000587268167 FF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587268178 FF Annotated Bother CCOC(=O)Cc1ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587268237 FF Annotated Bother CCOC(=O)Cc1ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587268238 FF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cncc(Br)c2[nH]1 ZINC000587268265 FF Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587268299 FF Annotated Bother Nc1ncc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1[N+](=O)[O-] ZINC000587268302 FF Annotated Bother Nc1ncc(-c2nc3ccc(Br)c(O)c3[nH]2)cc1[N+](=O)[O-] ZINC000587268460 FF Annotated Bother Nc1ncc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000587268471 FF Annotated Bother CCOC(=O)Cc1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 ZINC000587268548 FF Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587268620 FF Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587268624 FF Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587268640 FF Annotated Bother COc1cc(OC)c2[nH]c(COc3ccc([N+](=O)[O-])cc3C=O)nc2c1 ZINC000587268711 FF Annotated Bother CC1=C(c2ccc3[nH]c(-c4cc([N+](=O)[O-])c(C)o4)nc3c2)NNC(=O)C1 ZINC000587268815 FF Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(CNc3ncccc3[N+](=O)[O-])nc2c1 ZINC000587268836 FF Annotated Bother O=C(O)c1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1F ZINC000587268857 FF Annotated Bother Cc1c(Br)cnc2[nH]c(CNc3ncccc3[N+](=O)[O-])nc12 ZINC000587268986 FF Annotated Bother COc1cc(OC)c2[nH]c(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc2c1 ZINC000587269301 FF Annotated Bother COC(=O)c1ccnc2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc12 ZINC000587269380 FF Annotated Bother CN(C)C(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 ZINC000587269410 FF Annotated Bother COC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2n1 ZINC000587269421 FF Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587269428 FF Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587269430 FF Annotated Bother COc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1OC ZINC000587269492 FF Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587269517 FF Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cncc(Br)c2[nH]1 ZINC000587269572 FF Annotated Bother Cc1nc2[nH]c(CNc3ncccc3[N+](=O)[O-])nc2cc1Br ZINC000587269638 FF Annotated Bother COc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1F ZINC000587269690 FF Annotated Bother Cc1cc2[nH]c(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc2cc1[N+](=O)[O-] ZINC000587269747 FF Annotated Bother N#Cc1nc(Cl)cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c12 ZINC000587269810 FF Annotated Mild N=c1[nH]c2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc-2c(Cl)[nH]1 ZINC000587269830 FF Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587269857 FF Annotated Bother CN(C)S(=O)(=O)c1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000587269880 FF Annotated Bother O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(O)nc(S)nc3[nH]2)c1 ZINC000587269886 FF Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587269898 FF Annotated Bother Cc1ccc(C)c2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 ZINC000587269936 FF Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587270005 FF Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccnc(Br)c2[nH]1 ZINC000587270026 FF Annotated Bother Cc1cc(C)c2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000587270032 FF Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587270052 FF Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587270081 FF Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4c(F)cnc(Cl)c4[nH]3)nn2)c1 ZINC000587270090 FF Annotated Bother CN(C)CCOc1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587270098 FF Annotated Bother N#Cc1nc(Cl)cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 ZINC000587270138 FF Annotated Mild O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)nn2)c1 ZINC000587270175 FF Annotated Bother O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(O)nc(S)nc4[nH]3)c2)c1 ZINC000587270227 FF Annotated Bother O=C(O)c1cc(F)cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 ZINC000587270304 FF Annotated Bother N[C@@H](N=O)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 ZINC000587270393 FF Annotated Bother N[C@H](N=O)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 ZINC000587270394 FF Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12 ZINC000587270403 FF Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587270534 FF Annotated Bother Cc1cc(F)c2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000587270536 FF Annotated Bother Cc1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1C ZINC000587270558 FF Annotated Bother COc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1OC ZINC000587270569 FF Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Br)cnc2[nH]1 ZINC000587270574 FF Annotated Bother N[C@@H](CCc1nc2cccc(F)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270607 FF Annotated Bother Cc1c(F)ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587270630 FF Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)nn2)c1 ZINC000587270704 FF Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)nn2)c1 ZINC000587270740 FF Annotated Bother N#Cc1nc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2nc1C#N ZINC000587270758 FF Annotated Mild N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(Br)nc2[nH]1 ZINC000587270884 FF Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587270935 FF Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2c(Br)ccnc2[nH]1 ZINC000587271004 FF Annotated Bother Cc1cccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587271594 FF Annotated Bother N=c1nc(O)c2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2[nH]1 ZINC000587272626 FF Annotated Bother CCOC(=O)Cc1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000587272809 FF Annotated Bother CCOC(=O)Cc1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000587272813 FF Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)n1 ZINC000587272943 FF Annotated Bother Cc1nc2[nH]c(CCCn3ccc([N+](=O)[O-])n3)nc2cc1Br ZINC000587273082 FF Annotated Bother COC(=O)CCCCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273225 FF Annotated Anodyne CCOC(=O)CCCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273288 FF Annotated Anodyne CC(=O)OC(C)(C)C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273329 FF Annotated Anodyne O=[N+]([O-])c1ccn(CCCc2nc3c(F)cnc(Br)c3[nH]2)n1 ZINC000587273361 FF Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587273373 FF Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587273376 FF Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587273390 FF Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587273395 FF Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587273488 FF Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)n1 ZINC000587273608 FF Annotated Bother C=C(CC(=O)Cl)C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273614 FF Annotated Reactive C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587273680 FF Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587273683 FF Annotated Bother CCOC(=O)CCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273951 FF Annotated Anodyne CCOC(=O)C(C)(C)C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587274033 FF Annotated Anodyne Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587274046 FF Annotated Mild C=C(CC(=O)c1c(CO)oc2cc(Br)cnc12)C(=O)Cl ZINC000587274071 FF Annotated Reactive Cc1ncc([N+](=O)[O-])n1Cc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587274127 FF Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(CCCn3ccc([N+](=O)[O-])n3)nc2c1 ZINC000587274141 FF Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587274253 FF Annotated Mild Cn1cc(/C=C\C(=O)c2c(CO)oc3cc(Br)cnc23)cn1 ZINC000587274430 FF Annotated Mild Cn1cc(/C=C/C(=O)c2c(CO)oc3cc(Br)cnc23)cn1 ZINC000587274432 FF Annotated Mild O=[N+]([O-])c1ccn(CCCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)n1 ZINC000587274445 FF Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587274631 FF Annotated Bother COC(=O)CCCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587274672 FF Annotated Anodyne Cc1c(Br)cnc2[nH]c(CCCn3ccc([N+](=O)[O-])n3)nc12 ZINC000587274711 FF Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587274734 FF Annotated Clean Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587274896 FF Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587274991 FF Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587275010 FF Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587275039 FF Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3ccc(Br)c(O)c3[nH]2)n1 ZINC000587275080 FF Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587275115 FF Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587275126 FF Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587275165 FF Annotated Bother Cc1c(Br)cnc2[nH]c([C@@H](C)n3cc([N+](=O)[O-])cn3)nc12 ZINC000587275313 FF Annotated Bother Cc1c(Br)cnc2[nH]c([C@H](C)n3cc([N+](=O)[O-])cn3)nc12 ZINC000587275314 FF Annotated Bother Cc1nc2[nH]c([C@H](C)Cn3cc([N+](=O)[O-])cn3)nc2cc1Br ZINC000587275379 FF Annotated Bother Cc1nc2[nH]c([C@@H](C)Cn3cc([N+](=O)[O-])cn3)nc2cc1Br ZINC000587275380 FF Annotated Bother O=C(c1ccc2nonc2c1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275504 FF Annotated Anodyne C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Br)nc2[nH]1 ZINC000587275515 FF Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Br)nc2[nH]1 ZINC000587275518 FF Annotated Bother CC(=O)SCCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587275552 FF Annotated Anodyne CCc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)no1 ZINC000587275559 FF Annotated Anodyne O=C(c1ccc(F)nc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275574 FF Annotated Anodyne CCn1ncc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1C ZINC000587275582 FF Annotated Anodyne O=C(c1cncc(Cl)n1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275611 FF Annotated Anodyne O=C(c1cccnc1F)c1c(CO)oc2cc(Br)cnc12 ZINC000587275630 FF Annotated Anodyne C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(Br)ccnc2[nH]1 ZINC000587275635 FF Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(Br)ccnc2[nH]1 ZINC000587275636 FF Annotated Bother C[C@H](c1nc2c(F)cnc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587275914 FF Annotated Bother C[C@@H](c1nc2c(F)cnc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587275917 FF Annotated Bother CCc1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)nn1C ZINC000587275935 FF Annotated Anodyne CCn1nc(C)cc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587275944 FF Annotated Anodyne Cn1ncc(Cl)c1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587275976 FF Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](C)Cn3cc([N+](=O)[O-])cn3)nc12 ZINC000587276090 FF Annotated Bother Cc1c(Br)cnc2[nH]c([C@@H](C)Cn3cc([N+](=O)[O-])cn3)nc12 ZINC000587276091 FF Annotated Bother C[C@@H](c1nc2ccc(Br)c(O)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276121 FF Annotated Bother C[C@H](c1nc2ccc(Br)c(O)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276122 FF Annotated Bother Cn1ncc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1Cl ZINC000587276198 FF Annotated Anodyne C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Br)ncc2[nH]1 ZINC000587276244 FF Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Br)ncc2[nH]1 ZINC000587276245 FF Annotated Bother CCn1ncc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1F ZINC000587276467 FF Annotated Anodyne C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587276510 FF Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587276512 FF Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(N)ncnc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587276563 FF Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(N)ncnc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587276564 FF Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(N)ncnc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587276565 FF Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(N)ncnc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587276566 FF Annotated Clean Cn1cc(Cl)c(C(=O)c2c(CO)oc3cc(Br)cnc23)n1 ZINC000587276599 FF Annotated Anodyne O=C(c1n[nH]cc1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587276619 FF Annotated Anodyne CCn1nccc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276629 FF Annotated Anodyne CCn1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)cn1 ZINC000587276670 FF Annotated Anodyne CCn1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)n1 ZINC000587276682 FF Annotated Anodyne CCn1nc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1C ZINC000587276699 FF Annotated Anodyne Cc1nc2[nH]c([C@@H](C)n3cc([N+](=O)[O-])cn3)nc2cc1Br ZINC000587276808 FF Annotated Bother Cc1nc2[nH]c([C@H](C)n3cc([N+](=O)[O-])cn3)nc2cc1Br ZINC000587276809 FF Annotated Bother O=C(c1ccc(Cl)nn1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276927 FF Annotated Anodyne O=C(c1ccc([N+](=O)[O-])o1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276930 FF Annotated Bother CCc1nnsc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276936 FF Annotated Anodyne Cc1nc(C(=O)c2c(CO)oc3cc(Br)cnc23)c(C)o1 ZINC000587276991 FF Annotated Anodyne Cc1nc(C)c(C(=O)c2c(CO)oc3cc(Br)cnc23)o1 ZINC000587277062 FF Annotated Anodyne Cc1noc(C)c1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587277086 FF Annotated Anodyne CCn1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)c(C)n1 ZINC000587277098 FF Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](C)Cn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000587277178 FF Annotated Bother COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)Cn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000587277179 FF Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccnc(Br)c2[nH]1 ZINC000587277358 FF Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccnc(Br)c2[nH]1 ZINC000587277359 FF Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c[nH]c(=N)[nH]c-3n1)[C@@H]1CC=C[C@@H]21 ZINC000587277414 FF Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c[nH]c(=N)[nH]c-3n1)[C@H]1CC=C[C@H]21 ZINC000587277415 FF Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c[nH]c(=N)[nH]c-3n1)[C@@H]1CC=C[C@H]21 ZINC000587277416 FF Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c[nH]c(=N)[nH]c-3n1)[C@H]1CC=C[C@@H]21 ZINC000587277417 FF Annotated Clean C[C@@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)n1cc([N+](=O)[O-])cn1 ZINC000587277450 FF Annotated Bother C[C@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)n1cc([N+](=O)[O-])cn1 ZINC000587277451 FF Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cncc(Br)c2[nH]1 ZINC000587277514 FF Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cncc(Br)c2[nH]1 ZINC000587277515 FF Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Br)cnc2[nH]1 ZINC000587277540 FF Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Br)cnc2[nH]1 ZINC000587277541 FF Annotated Bother C[C@H](c1nc2cc(C#N)cc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277594 FF Annotated Mild C[C@@H](c1nc2cc(C#N)cc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587277595 FF Annotated Mild O=C(CN1C(=O)c2ccccc2C1=O)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587278904 FF Annotated Bother C=C1C=C(C(F)F)N2N=C(C(=O)c3coc4cc(C#N)ccc34)NC2=N1 ZINC000587278978 FF Annotated Mild N#Cc1ccc2c(C(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)coc2c1 ZINC000587279339 FF Annotated Mild CN(C)S(=O)(=O)c1ccc(C(=O)c2coc3cc(C#N)ccc23)cc1 ZINC000587279587 FF Annotated Mild CN(C)S(=O)(=O)c1cccc(C(=O)c2coc3cc(C#N)ccc23)c1 ZINC000587279970 FF Annotated Mild O=C(c1ccc(N2CCOCC2)nc1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280006 FF Annotated Bother C=C1C=C(C(F)F)N2N=C(C(=O)c3coc4cc([N+](=O)[O-])ccc34)NC2=N1 ZINC000587280134 FF Annotated Bother CN(C)S(=O)(=O)c1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1 ZINC000587280410 FF Annotated Bother CN(C)S(=O)(=O)c1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1 ZINC000587280418 FF Annotated Bother CN(CCO)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334117 FF Annotated Anodyne CN(CCO)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334125 FF Annotated Anodyne CN(CCO)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334127 FF Annotated Anodyne CN(CCO)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334128 FF Annotated Anodyne C[C@@]1(c2nonc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335035 FF Annotated Anodyne C[C@]1(c2nonc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335041 FF Annotated Anodyne C[C@]1(c2nonc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335044 FF Annotated Anodyne C[C@@]1(c2nonc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335048 FF Annotated Anodyne CON(C)C(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336131 FF Annotated Anodyne CON(C)C(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336134 FF Annotated Anodyne CON(C)C(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336135 FF Annotated Anodyne CON(C)C(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336136 FF Annotated Anodyne C[C@]1(c2c[nH]c(=O)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336141 FF Annotated Anodyne C[C@@]1(c2c[nH]c(=O)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336144 FF Annotated Anodyne C[C@@]1(c2c[nH]c(=O)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336145 FF Annotated Anodyne C[C@]1(c2c[nH]c(=O)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336146 FF Annotated Anodyne CC(=O)N[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587337529 FF Annotated Anodyne CC(=O)N[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587337533 FF Annotated Anodyne CC(=O)N[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587337534 FF Annotated Anodyne CC(=O)N[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587337536 FF Annotated Anodyne C[C@@H]1NC=CC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343223 FF Annotated Mild C[C@@H]1NC=CC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343227 FF Annotated Mild C[C@@H]1NC=CC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343229 FF Annotated Mild C[C@@H]1NC=CC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343232 FF Annotated Mild CC1(C)NC(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343266 FF Annotated Anodyne CC1(C)NC(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343268 FF Annotated Anodyne CC1(C)NC(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343269 FF Annotated Anodyne CC1(C)NC(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343272 FF Annotated Anodyne C[C@@]1(CN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343360 FF Annotated Anodyne C[C@@]1(CN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343361 FF Annotated Anodyne C[C@]1(CN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343362 FF Annotated Anodyne C[C@]1(CN2CCOCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343363 FF Annotated Anodyne Cn1ncnc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344099 FF Annotated Anodyne Cn1ncnc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344106 FF Annotated Anodyne Cn1ncnc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344107 FF Annotated Anodyne Cn1ncnc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344108 FF Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCN3CCO[C@H]2C3)[C@H]1c1ccc(F)cc1 ZINC000587344549 FF Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCN3CCO[C@H]2C3)[C@@H]1c1ccc(F)cc1 ZINC000587344551 FF Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCN3CCO[C@H]2C3)[C@H]1c1ccc(F)cc1 ZINC000587344554 FF Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCN3CCO[C@H]2C3)[C@@H]1c1ccc(F)cc1 ZINC000587344559 FF Annotated Anodyne CC1=CC(=O)[C@@]2(CN1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344873 FF Annotated Mild CC1=CC(=O)[C@]2(CN1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344877 FF Annotated Mild CC1=CC(=O)[C@]2(CN1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344880 FF Annotated Mild CC1=CC(=O)[C@@]2(CN1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344884 FF Annotated Mild C[C@@H]1CNC(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346168 FF Annotated Anodyne C[C@@H]1CNC(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346170 FF Annotated Anodyne C[C@@H]1CNC(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346172 FF Annotated Anodyne C[C@@H]1CNC(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346173 FF Annotated Anodyne COC(=O)[C@H](OC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346201 FF Annotated Anodyne COC(=O)[C@H](OC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346202 FF Annotated Anodyne COC(=O)[C@H](OC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346203 FF Annotated Anodyne COC(=O)[C@H](OC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346204 FF Annotated Anodyne N#C[C@@H]1CNCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346825 FF Annotated Mild N#C[C@@H]1CNCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346827 FF Annotated Mild N#C[C@@H]1CNCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346828 FF Annotated Mild N#C[C@@H]1CNCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346830 FF Annotated Mild CC1(C)CNC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347258 FF Annotated Anodyne CC1(C)CNC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347263 FF Annotated Anodyne CC1(C)CNC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347264 FF Annotated Anodyne CC1(C)CNC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347265 FF Annotated Anodyne O=CCC[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347390 FF Annotated Mild O=CCC[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347394 FF Annotated Mild O=CCC[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347395 FF Annotated Mild O=CCC[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347398 FF Annotated Mild CN1CC[C@]2(CC1=O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347960 FF Annotated Anodyne CN1CC[C@@]2(CC1=O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347964 FF Annotated Anodyne CN1CC[C@@]2(CC1=O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347968 FF Annotated Anodyne CN1CC[C@]2(CC1=O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347972 FF Annotated Anodyne O=CN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348310 FF Annotated Anodyne O=CN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348314 FF Annotated Anodyne COC[C@]1(CC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349087 FF Annotated Anodyne COC[C@@]1(CC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349091 FF Annotated Anodyne COC[C@]1(CC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349093 FF Annotated Anodyne COC[C@@]1(CC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349094 FF Annotated Anodyne COC1=C(OC)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587350021 FF Annotated Mild COC1=C(OC)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587350032 FF Annotated Mild COC1=C(OC)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587350037 FF Annotated Mild COC1=C(OC)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587350039 FF Annotated Mild NC(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587350324 FF Annotated Anodyne NC(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587350331 FF Annotated Anodyne CCOC(=O)[C@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351353 FF Annotated Anodyne CCOC(=O)[C@@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351355 FF Annotated Anodyne CCOC(=O)[C@@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351358 FF Annotated Anodyne CCOC(=O)[C@]1(C(C)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351360 FF Annotated Anodyne CCOC(=O)C(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352347 FF Annotated Anodyne CCOC(=O)C(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352348 FF Annotated Anodyne CCOC(=O)C(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352349 FF Annotated Anodyne CCOC(=O)C(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352350 FF Annotated Anodyne COC(=O)[C@](C)(O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352916 FF Annotated Anodyne COC(=O)[C@](C)(O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352918 FF Annotated Anodyne COC(=O)[C@](C)(O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352920 FF Annotated Anodyne COC(=O)[C@](C)(O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352923 FF Annotated Anodyne COC[C@@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353662 FF Annotated Anodyne COC[C@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353666 FF Annotated Anodyne COC[C@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353667 FF Annotated Anodyne COC[C@@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353670 FF Annotated Anodyne COC(=O)C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354596 FF Annotated Anodyne COC(=O)C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354597 FF Annotated Anodyne COC(=O)C(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354600 FF Annotated Anodyne COC(=O)C(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354601 FF Annotated Anodyne O=C(O)CC[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354832 FF Annotated Anodyne O=C(O)CC[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354839 FF Annotated Anodyne O=C(O)CC[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354843 FF Annotated Anodyne O=C(O)CC[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354845 FF Annotated Anodyne O=C(O)CC1(CC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355456 FF Annotated Anodyne O=C(O)CC1(CC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355457 FF Annotated Anodyne C[C@@]1(CS(C)(=O)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361714 FF Annotated Anodyne C[C@]1(CS(C)(=O)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361715 FF Annotated Anodyne C[C@]1(CS(C)(=O)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361716 FF Annotated Anodyne C[C@@]1(CS(C)(=O)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361717 FF Annotated Anodyne O=[N+]([O-])c1ccc(Br)cc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587365053 FF Annotated Bother Oc1nc(O)c2cc3c(nc2n1)-c1cccc(Br)c1OCC3 ZINC000587365176 FF Annotated Anodyne COc1nc(C)c(-c2ccc3c(O)nc(O)nc3n2)cc1Br ZINC000587365224 FF Annotated Anodyne Oc1nc(O)c2ccc(-c3ncc(Cl)cc3Br)nc2n1 ZINC000587365304 FF Annotated Anodyne O=[N+]([O-])c1c(Br)cccc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587365435 FF Annotated Bother COc1ccc(Br)c2c1-c1nc3nc(O)nc(O)c3cc1C2 ZINC000587365461 FF Annotated Anodyne O=[N+]([O-])c1cc(Br)cc(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587365466 FF Annotated Bother COc1ccc(Br)c2c1Cc1cc3c(O)nc(O)nc3nc1-2 ZINC000587365498 FF Annotated Anodyne O=[N+]([O-])c1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1Br ZINC000587365570 FF Annotated Bother Oc1nc(O)c2cc3c(nc2n1)-c1cc(Br)ccc1OCC3 ZINC000587365576 FF Annotated Anodyne COc1cc(O)c(-c2ccc3c(O)nc(O)nc3n2)cc1Br ZINC000587365618 FF Annotated Anodyne Oc1nc(O)c2ccc(-c3ccccc3OCCBr)nc2n1 ZINC000587365629 FF Annotated Reactive Oc1nc(O)c2cc3c(nc2n1)-c1ccc(Br)cc1OCC3 ZINC000587365800 FF Annotated Anodyne O=[N+]([O-])c1cc(Br)ccc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587365906 FF Annotated Bother Oc1nc(O)c2ccc(-c3ncc(Br)cc3Cl)nc2n1 ZINC000587365964 FF Annotated Anodyne COc1ccc2c(c1Br)-c1nc3nc(O)nc(O)c3cc1CC2 ZINC000587366147 FF Annotated Anodyne O=C(Cc1ccc2c(O)nc(O)nc2n1)c1ccc(Br)cc1 ZINC000587366201 FF Annotated Anodyne COc1ccc2c(c1Br)Cc1cc3c(O)nc(O)nc3nc1-2 ZINC000587366662 FF Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1CC(=O)c1ccc(Br)cc1 ZINC000587366665 FF Annotated Anodyne Oc1nc(O)c2ccc(-c3c[nH]c4ncc(Br)cc34)nc2n1 ZINC000587366666 FF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1cc(Br)ccc1NCC3 ZINC000587366763 FF Annotated Anodyne COc1ccc2c(c1Br)-c1nc3nc(O)nc(O)c3cc1C2 ZINC000587367115 FF Annotated Anodyne O=C(c1cc(-c2ccc3c(O)nc(O)nc3n2)c[nH]1)C(Cl)(Cl)Cl ZINC000587367148 FF Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(Br)cnc3Cl)nc2n1 ZINC000587367167 FF Annotated Anodyne COc1cc2c(cc1Br)Cc1cc3c(O)nc(O)nc3nc1-2 ZINC000587367504 FF Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(CBr)c1nc3nc(O)nc(O)c3cc12 ZINC000587367567 FF Annotated Reactive COCCOCCCc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1F ZINC000587367951 FF Annotated Anodyne COC(C)(Cc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1F)OC ZINC000587367957 FF Annotated Anodyne CCOC(=O)CCc1cc2c(O)nc(O)nc2nc1-c1ccc(F)cc1 ZINC000587367960 FF Annotated Anodyne Oc1nc(O)c2ccc(-c3c(O)cc(Br)cc3F)nc2n1 ZINC000587367991 FF Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(Br)cc(F)c3O)nc2n1 ZINC000587368074 FF Annotated Anodyne Oc1nc(O)c2ccc(Cc3ccc(Br)cc3F)nc2n1 ZINC000587368117 FF Annotated Anodyne O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1ccccc1C(F)(F)F ZINC000587368152 FF Annotated Anodyne Cc1c(-c2ccc3c(O)nc(O)nc3n2)cnn1-c1ccc(Cl)cn1 ZINC000587368200 FF Annotated Anodyne Cc1c(-c2ccc3c(O)nc(O)nc3n2)nnn1-c1ccc(Cl)cc1 ZINC000587368203 FF Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1ccc2c(O)nc(O)nc2n1 ZINC000587368244 FF Annotated Bother CCOC(=O)[C@H](Cc1cccc(Cl)c1)c1ccc2c(O)nc(O)nc2n1 ZINC000587368256 FF Annotated Anodyne CCOC(=O)[C@@H](Cc1cccc(Cl)c1)c1ccc2c(O)nc(O)nc2n1 ZINC000587368258 FF Annotated Anodyne O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1ccc(Cl)cc1Cl ZINC000587368267 FF Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(Br)c(F)cc3O)nc2n1 ZINC000587368289 FF Annotated Anodyne Oc1nc(O)c2cc(Cc3cc(F)ccc3Br)cnc2n1 ZINC000587368301 FF Annotated Anodyne Oc1nc(O)c2ccc(Cc3ccc(Br)c(F)c3)nc2n1 ZINC000587368320 FF Annotated Anodyne Oc1nc(O)c2ccc(Cn3nc(C(F)(F)F)cc3C3CC3)nc2n1 ZINC000587368408 FF Annotated Anodyne O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1cccc(C(F)(F)F)c1 ZINC000587368415 FF Annotated Anodyne O=C(Nc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1)C(F)(F)F ZINC000587368485 FF Annotated Anodyne COC(=O)CCCc1cc2c(O)nc(O)nc2nc1-c1ccc(F)cc1 ZINC000587368508 FF Annotated Anodyne Cc1c(-c2ccc3c(O)nc(O)nc3n2)nnn1Cc1ccc(Cl)cc1 ZINC000587368532 FF Annotated Anodyne O=C1c2ccccc2N/C(=C\Cl)N1Cc1ccc2c(O)nc(O)nc2n1 ZINC000587368545 FF Annotated Anodyne O=C1c2ccccc2N/C(=C/Cl)N1Cc1ccc2c(O)nc(O)nc2n1 ZINC000587368547 FF Annotated Anodyne Oc1nc(O)c2ccc(Cc3ccc(F)cc3Br)nc2n1 ZINC000587368759 FF Annotated Anodyne COc1c(-c2ccc3c(O)nc(O)nc3n2)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587368785 FF Annotated Bother Oc1nc(O)c2ccc(-c3ccc(N4CCOCC4)cc3Cl)nc2n1 ZINC000587368801 FF Annotated Anodyne Oc1nc(O)c2ccc(Cc3cc(F)ccc3Br)nc2n1 ZINC000587368803 FF Annotated Anodyne Cc1c(-c2ccc3c(O)nc(O)nc3n2)nnn1-c1cccc(Cl)c1 ZINC000587368812 FF Annotated Anodyne O=C(O)[C@]1(c2cccc(Cl)c2)CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587368837 FF Annotated Anodyne O=C(O)[C@@]1(c2cccc(Cl)c2)CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587368839 FF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)CC(NNc1ccc(Cl)cc1)=CC3 ZINC000587368899 FF Annotated Anodyne O=C(O)[C@]1(c2ccc(Cl)cc2)CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587368907 FF Annotated Anodyne O=C(O)[C@@]1(c2ccc(Cl)cc2)CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587368908 FF Annotated Anodyne O=C(Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)C(F)(F)F ZINC000587369061 FF Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(Cl)cc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587369088 FF Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587369089 FF Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(I)cc3)nc2n1 ZINC000587369191 FF Annotated Anodyne Oc1nc(O)c2ccc(-c3cccc(I)c3)nc2n1 ZINC000587369417 FF Annotated Anodyne Oc1nc(O)c2ccc(-c3ccccc3I)nc2n1 ZINC000587369523 FF Annotated Anodyne CCN(CC)Cc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1OC ZINC000587369855 FF Annotated Anodyne CCN(CC)C(=O)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587370132 FF Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(I)s3)nc2n1 ZINC000587370151 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)CCl)(c1ccccc1)O2 ZINC000587371106 FF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CNC(=O)CCl)(c1ccccc1)O2 ZINC000587371107 FF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cn(C)nc1C)O2 ZINC000587371396 FF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cn(C)nc1C)O2 ZINC000587371397 FF Annotated Reactive COC(=O)C(C)(C)[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372233 FF Annotated Reactive COC(=O)C(C)(C)[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372239 FF Annotated Reactive CC(=O)NCc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)o1 ZINC000587372543 FF Annotated Reactive CC(=O)NCc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)o1 ZINC000587372546 FF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(Cn1nnc3ccccc31)O2 ZINC000587372800 FF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(Cn1nnc3ccccc31)O2 ZINC000587372807 FF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1cc(Br)cn1)O2 ZINC000587373197 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1cc(Br)cn1)O2 ZINC000587373202 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1nonc1C)O2 ZINC000587374048 FF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1nonc1C)O2 ZINC000587374059 FF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(OCC(N)=O)cc1)O2 ZINC000587374318 FF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(OCC(N)=O)cc1)O2 ZINC000587374319 FF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ncc(Br)cc21 ZINC000587374374 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ncc(Br)cc21 ZINC000587374377 FF Annotated Anodyne CCOC(=O)[C@]1([C@H](C)Br)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374586 FF Annotated Reactive CCOC(=O)[C@@]1([C@@H](C)Br)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374591 FF Annotated Reactive CCOC(=O)[C@]1([C@@H](C)Br)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374593 FF Annotated Reactive CCOC(=O)[C@@]1([C@H](C)Br)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374598 FF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC=Cn3c1nc(CCl)cc3=O)O2 ZINC000587375597 FF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC=Cn3c1nc(CCl)cc3=O)O2 ZINC000587375602 FF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(N)=O)c(Cl)c1)O2 ZINC000587376142 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(N)=O)c(Cl)c1)O2 ZINC000587376145 FF Annotated Anodyne CCOC(=O)C[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376362 FF Annotated Reactive CCOC(=O)C[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587376363 FF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(Br)cnn1C)O2 ZINC000587377342 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(Br)cnn1C)O2 ZINC000587377346 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCCC3)nc(=N)[nH]c1Cl)O2 ZINC000587378635 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCCC3)nc(=N)[nH]c1Cl)O2 ZINC000587378645 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(Cl)nc1N1CCOCC1)O2 ZINC000587379143 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(Cl)nc1N1CCOCC1)O2 ZINC000587379145 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ncnc1N1CCOCC1)O2 ZINC000587379621 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)ncnc1N1CCOCC1)O2 ZINC000587379623 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C(F)(F)C(=O)O)n1C)O2 ZINC000587380432 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(F)(F)C(=O)O)n1C)O2 ZINC000587380435 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc3c(cc21)OC(F)(F)O3 ZINC000587380628 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc3c(cc21)OC(F)(F)O3 ZINC000587380633 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1(F)CN(C(=O)OC(C)(C)C)C1)O2 ZINC000587381609 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C1(F)CN(C(=O)OC(C)(C)C)C1)O2 ZINC000587381613 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(F)(F)F)cc1)(C(O)O)O2 ZINC000587382681 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(F)(F)F)cc1)(C(O)O)O2 ZINC000587382686 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1cccc(F)c1)O2 ZINC000587383797 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1cccc(F)c1)O2 ZINC000587383798 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(C(=O)O)Oc3cc(F)ccc31)O2 ZINC000587384402 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(C(=O)O)Oc3cc(F)ccc31)O2 ZINC000587384403 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1ccc(F)cc1)O2 ZINC000587384404 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1ccc(F)cc1)O2 ZINC000587384405 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(C(=O)O)=COc2ccc(F)cc21 ZINC000587384745 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C(=O)O)=COc2ccc(F)cc21 ZINC000587384746 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1ccccc1F)O2 ZINC000587385136 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1ccccc1F)O2 ZINC000587385138 FF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385195 FF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385198 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)C[C@@H]1F)O2 ZINC000587385206 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)C[C@H]1F)O2 ZINC000587385208 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)C[C@@H]1F)O2 ZINC000587385209 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)C[C@H]1F)O2 ZINC000587385210 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCS(=O)(=O)c3c(F)cccc31)O2 ZINC000587385219 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCS(=O)(=O)c3c(F)cccc31)O2 ZINC000587385221 FF Annotated Anodyne CCC(=O)Nc1ccccc1[C@]1(C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385534 FF Annotated Anodyne CCC(=O)Nc1ccccc1[C@@]1(C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385552 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCC(=O)N(C)C)cc1)O2 ZINC000587385963 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCC(=O)N(C)C)cc1)O2 ZINC000587385964 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCC(=O)N(C)C)c1)O2 ZINC000587386015 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCC(=O)N(C)C)c1)O2 ZINC000587386021 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(C(=O)O)Oc3ccc(F)cc31)O2 ZINC000587386308 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(C(=O)O)Oc3ccc(F)cc31)O2 ZINC000587386315 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCS(=O)(=O)c3ccc(F)cc31)O2 ZINC000587386368 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCS(=O)(=O)c3ccc(F)cc31)O2 ZINC000587386370 FF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386582 FF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386583 FF Annotated Anodyne CNC(=O)[C@H](C)Oc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386850 FF Annotated Anodyne CNC(=O)[C@@H](C)Oc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386851 FF Annotated Anodyne CNC(=O)[C@H](C)Oc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386852 FF Annotated Anodyne CNC(=O)[C@@H](C)Oc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386853 FF Annotated Anodyne CCC(=O)N[C@@H](O)[C@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386870 FF Annotated Anodyne CCC(=O)N[C@H](O)[C@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386871 FF Annotated Anodyne CCC(=O)N[C@H](O)[C@@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386872 FF Annotated Anodyne CCC(=O)N[C@@H](O)[C@@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386873 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(NC[C@H]3CCCO3)nc1)O2 ZINC000587387104 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(NC[C@H]3CCCO3)nc1)O2 ZINC000587387105 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(NC[C@@H]3CCCO3)nc1)O2 ZINC000587387106 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(NC[C@@H]3CCCO3)nc1)O2 ZINC000587387107 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](/C(I)=C/N(C)C)O2 ZINC000587387451 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](/C(I)=C/N(C)C)O2 ZINC000587387452 FF Annotated Anodyne COC(=O)C[C@]1(c2ccc(C#N)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387525 FF Annotated Mild COC(=O)C[C@@]1(c2ccc(C#N)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387526 FF Annotated Mild CCOC(=O)/C(=C/N(C)C)[C@@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387596 FF Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387598 FF Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387600 FF Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387601 FF Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(C#N)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387757 FF Annotated Mild CCOC(=O)[C@]1(c2ccc(C#N)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387758 FF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCC(=O)N(C)C)O2 ZINC000587387872 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCC(=O)N(C)C)O2 ZINC000587387873 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OCC(=O)N(C)C)c1)O2 ZINC000587387906 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OCC(=O)N(C)C)c1)O2 ZINC000587387907 FF Annotated Anodyne CCNC(=O)COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388210 FF Annotated Anodyne CCNC(=O)COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388211 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccccc1NC=O)O2 ZINC000587388238 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccccc1NC=O)O2 ZINC000587388239 FF Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(N)=O ZINC000587388394 FF Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(N)=O ZINC000587388398 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ncccc3[N+](=O)[O-])CC1)O2 ZINC000587388402 FF Annotated Bother COc1cc2c(cc1OC)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@H]2N ZINC000587388512 FF Annotated Anodyne COc1cc2c(cc1OC)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@@H]2N ZINC000587388513 FF Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@H]2N ZINC000587388514 FF Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@@H]2N ZINC000587388515 FF Annotated Anodyne C/C=C/C/C=C/CC[C@]1([C@@H]2O[C@@H]2C(N)=O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388579 FF Annotated Anodyne C/C=C/C/C=C\CC[C@]1([C@@H]2O[C@@H]2C(N)=O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388580 FF Annotated Anodyne C/C=C\C/C=C\CC[C@]1([C@@H]2O[C@@H]2C(N)=O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388581 FF Annotated Anodyne C/C=C\C/C=C/CC[C@]1([C@@H]2O[C@@H]2C(N)=O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587388582 FF Annotated Anodyne CCOC(=O)Cn1nc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587388778 FF Annotated Anodyne CCOC(=O)Cn1nc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587388781 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1c(C)nn(C)c1C)O2 ZINC000587388838 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)O2 ZINC000587388844 FF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1c(C)nn(C)c1C)O2 ZINC000587388845 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1c(C)nn(C)c1C)O2 ZINC000587388846 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1c(C)nn(C)c1C)O2 ZINC000587388847 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c(cc1[N+](=O)[O-])OCCO3)O2 ZINC000587388854 FF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cn(CC(N)=O)c3ccccc13)O2 ZINC000587389004 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cn(CC(N)=O)c3ccccc13)O2 ZINC000587389005 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1[N+](=O)[O-])(C(=O)O)O2 ZINC000587389278 FF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1[N+](=O)[O-])(C(=O)O)O2 ZINC000587389279 FF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCN1C(=O)c3ccccc3C1=O)O2 ZINC000587389849 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCN1C(=O)c3ccccc3C1=O)O2 ZINC000587389852 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCN1C(=O)c3ccccc3C1=O)O2 ZINC000587389905 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](CCN1C(=O)c3ccccc3C1=O)O2 ZINC000587389912 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(=O)O)c([N+](=O)[O-])c1)O2 ZINC000587389990 FF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(=O)O)c([N+](=O)[O-])c1)O2 ZINC000587389992 FF Annotated Bother COC(=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])c1 ZINC000587390053 FF Annotated Bother COC(=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])c1 ZINC000587390055 FF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)nn(CCC(=O)O)c1C)O2 ZINC000587390194 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)nn(CCC(=O)O)c1C)O2 ZINC000587390197 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(N3C(=O)C=CC3=O)c1)O2 ZINC000587390300 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(N3C(=O)C=CC3=O)c1)O2 ZINC000587390302 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)N1C(=O)c3ccccc3C1=O)O2 ZINC000587390304 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)N1C(=O)c3ccccc3C1=O)O2 ZINC000587390307 FF Annotated Anodyne COC(=O)CCn1nc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587390315 FF Annotated Anodyne COC(=O)CCn1nc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587390318 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1OCC(=O)O)O2 ZINC000587390560 FF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1OCC(=O)O)O2 ZINC000587390561 FF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCC(=O)NC3CC3)c1)O2 ZINC000587390623 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCC(=O)NC3CC3)c1)O2 ZINC000587390624 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CN1C(=O)CCC1=O)(c1ccccc1)O2 ZINC000587390787 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1C(=O)CCC1=O)(c1ccccc1)O2 ZINC000587390788 FF Annotated Anodyne COC(=O)c1ccc([N+](=O)[O-])c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587390864 FF Annotated Bother COC(=O)c1ccc([N+](=O)[O-])c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587390867 FF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1cnn(-c3ccccc3)c1)O2 ZINC000587391120 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1cnn(-c3ccccc3)c1)O2 ZINC000587391127 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)O2 ZINC000587391743 FF Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)O2 ZINC000587391744 FF Annotated Bother COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1cncn1 ZINC000587391848 FF Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1cncn1 ZINC000587391849 FF Annotated Anodyne CCOC(=O)c1nn(C)c2c1CCC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392022 FF Annotated Anodyne CCOC(=O)c1nn(C)c2c1CCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392025 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3C(=O)C=CC3=O)cc1)O2 ZINC000587392034 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3C(=O)C=CC3=O)cc1)O2 ZINC000587392036 FF Annotated Anodyne CCOC(=O)C[C@]1(c2cnn(CC)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392183 FF Annotated Anodyne CCOC(=O)C[C@@]1(c2cnn(CC)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392184 FF Annotated Anodyne COC(=O)CC[C@@]1(c2ccccc2N)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392379 FF Annotated Anodyne COC(=O)CC[C@]1(c2ccccc2N)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392382 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CN1C(=O)c3ccccc3C1=O)O2 ZINC000587392686 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CN1C(=O)c3ccccc3C1=O)O2 ZINC000587392687 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCCN1C(=O)c3ccccc3C1=O)O2 ZINC000587392692 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](CCCN1C(=O)c3ccccc3C1=O)O2 ZINC000587392693 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CN(C(=O)OC(C)(C)C)CCO1)O2 ZINC000587392828 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1CN(C(=O)OC(C)(C)C)CCO1)O2 ZINC000587392837 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CN(C(=O)OC(C)(C)C)CCO1)O2 ZINC000587392838 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1CN(C(=O)OC(C)(C)C)CCO1)O2 ZINC000587392839 FF Annotated Anodyne CC1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1C[C@H]1CCCO1 ZINC000587392856 FF Annotated Anodyne CC1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1C[C@@H]1CCCO1 ZINC000587392858 FF Annotated Anodyne CC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1C[C@H]1CCCO1 ZINC000587392860 FF Annotated Anodyne CC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CC(=O)N1C[C@@H]1CCCO1 ZINC000587392862 FF Annotated Anodyne COC(=O)c1cccc([C@]2(CC#N)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587393133 FF Annotated Mild COC(=O)c1cccc([C@@]2(CC#N)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587393135 FF Annotated Mild CCN1N=C(C(=O)O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587393156 FF Annotated Anodyne CCN1N=C(C(=O)O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587393159 FF Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccncc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587393425 FF Annotated Anodyne C=CN1CC[C@@H]([C@@]2(c3ccncc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587393426 FF Annotated Anodyne C=CN1CC[C@@H]([C@]2(c3ccncc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587393427 FF Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccncc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587393428 FF Annotated Anodyne COC(=O)c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n2ccccc12 ZINC000587393723 FF Annotated Anodyne COC(=O)c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n2ccccc12 ZINC000587393724 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(c2ccccc2)N(C)[C@H]1C ZINC000587393744 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(c2ccccc2)N(C)[C@H]1C ZINC000587393745 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(c2ccccc2)N(C)[C@@H]1C ZINC000587393746 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(c2ccccc2)N(C)[C@@H]1C ZINC000587393747 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3nc(O)c(C(=O)O)cc31)O2 ZINC000587393860 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3nc(O)c(C(=O)O)cc31)O2 ZINC000587393861 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=NN(CCC(=O)O)c3ccccc31)O2 ZINC000587393887 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=NN(CCC(=O)O)c3ccccc31)O2 ZINC000587393889 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccn1)([C@@H](O)c1ccccn1)O2 ZINC000587393979 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccn1)([C@H](O)c1ccccn1)O2 ZINC000587393980 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccn1)([C@H](O)c1ccccn1)O2 ZINC000587393981 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccn1)([C@@H](O)c1ccccn1)O2 ZINC000587393982 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1COCCN1C(=O)OC(C)(C)C)O2 ZINC000587394043 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1COCCN1C(=O)OC(C)(C)C)O2 ZINC000587394044 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1COCCN1C(=O)OC(C)(C)C)O2 ZINC000587394045 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1COCCN1C(=O)OC(C)(C)C)O2 ZINC000587394046 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2nc3nonc3nc21 ZINC000587394164 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2nc3nonc3nc21 ZINC000587394167 FF Annotated Anodyne COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)nc1OC ZINC000587394281 FF Annotated Anodyne COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)nc1OC ZINC000587394282 FF Annotated Anodyne CCOC(=O)[C@@]1(c2cnc3ccccn23)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587394297 FF Annotated Anodyne CCOC(=O)[C@]1(c2cnc3ccccn23)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587394298 FF Annotated Anodyne COc1nc(OC)c(OC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC ZINC000587394456 FF Annotated Anodyne COc1nc(OC)c(OC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC ZINC000587394457 FF Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccncc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587394535 FF Annotated Anodyne CCOC(=O)[C@H]1CCc2ccncc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587394536 FF Annotated Anodyne CCOC(=O)[C@H]1CCc2ccncc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587394537 FF Annotated Anodyne CCOC(=O)[C@@H]1CCc2ccncc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587394538 FF Annotated Anodyne COC(=O)[C@@H](C[C@@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1)N=O ZINC000587394621 FF Annotated Anodyne COC(=O)[C@@H](C[C@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1)N=O ZINC000587394622 FF Annotated Anodyne COC(=O)[C@H](C[C@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1)N=O ZINC000587394623 FF Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1)N=O ZINC000587394624 FF Annotated Anodyne COc1cc([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)ccn1 ZINC000587394658 FF Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)ccn1 ZINC000587394659 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H]1CCN(C)C1=O)O2 ZINC000587394796 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1CCN(C)C1=O)O2 ZINC000587394798 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H]1CCN(C)C1=O)O2 ZINC000587394800 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1CCN(C)C1=O)O2 ZINC000587394803 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)C[C@H]1C#N)O2 ZINC000587394805 FF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)O2 ZINC000587394807 FF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)C[C@H]1C#N)O2 ZINC000587394809 FF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)O2 ZINC000587394811 FF Annotated Mild C=CN1CC[C@H]([C@]2(c3ccccn3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587394888 FF Annotated Anodyne C=CN1CC[C@@H]([C@@]2(c3ccccn3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587394889 FF Annotated Anodyne C=CN1CC[C@@H]([C@]2(c3ccccn3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587394892 FF Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccccn3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587394896 FF Annotated Anodyne CCOC(=O)c1cnn2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cnc12 ZINC000587394997 FF Annotated Anodyne CCOC(=O)c1cnn2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cnc12 ZINC000587395000 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc3cc(C(=O)O)nn3c1C)O2 ZINC000587395002 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc3cc(C(=O)O)nn3c1C)O2 ZINC000587395005 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CC(C(=O)O)C3)cc1)O2 ZINC000587395165 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CC(C(=O)O)C3)cc1)O2 ZINC000587395166 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc3c(C(=O)O)cnn3c1C)O2 ZINC000587395603 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc3c(C(=O)O)cnn3c1C)O2 ZINC000587395604 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c[nH]c(C(N)=O)c1)O2 ZINC000587395665 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1c[nH]c(C(N)=O)c1)O2 ZINC000587395666 FF Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395931 FF Annotated Anodyne CCOC(=O)[C@H]1Cc2cc(C)ncc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395934 FF Annotated Anodyne CCOC(=O)[C@H]1Cc2cc(C)ncc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395936 FF Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc(C)ncc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395937 FF Annotated Anodyne CCC1=C(C)N[C@H]2N(CCC[C@]23CC(=O)c2cc(C)cc(N)c2O3)C1=O ZINC000587396131 FF Annotated Anodyne CCC1=C(C)N[C@@H]2N(CCC[C@]23CC(=O)c2cc(C)cc(N)c2O3)C1=O ZINC000587396156 FF Annotated Anodyne CCC1=C(C)N[C@H]2N(CCC[C@@]23CC(=O)c2cc(C)cc(N)c2O3)C1=O ZINC000587396158 FF Annotated Anodyne CCC1=C(C)N[C@@H]2N(CCC[C@@]23CC(=O)c2cc(C)cc(N)c2O3)C1=O ZINC000587396159 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(N3CCCC3)ccc21 ZINC000587396246 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(N3CCCC3)ccc21 ZINC000587396248 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)([C@H]1CCCN(C)C1=O)O2 ZINC000587396466 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)([C@@H]1CCCN(C)C1=O)O2 ZINC000587396467 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)([C@@H]1CCCN(C)C1=O)O2 ZINC000587396468 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)([C@H]1CCCN(C)C1=O)O2 ZINC000587396469 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1[nH]cnc1C(=O)O)O2 ZINC000587396577 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1[nH]cnc1C(=O)O)O2 ZINC000587396583 FF Annotated Anodyne CCOC(=O)C1CCN(C(C)(C)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587396808 FF Annotated Anodyne CCOC(=O)C1CCN(C(C)(C)[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587396809 FF Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ncccc23)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397057 FF Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ncccc23)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397058 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C(=O)C1)O2 ZINC000587397289 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C(=O)C1)O2 ZINC000587397290 FF Annotated Anodyne COC(=O)C1CN(c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)C1 ZINC000587397336 FF Annotated Anodyne COC(=O)C1CN(c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)C1 ZINC000587397337 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCNCC3)cc1)O2 ZINC000587397530 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCNCC3)cc1)O2 ZINC000587397531 FF Annotated Anodyne COc1cc(C(=O)O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587397821 FF Annotated Anodyne COc1cc(C(=O)O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587397822 FF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397823 FF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397824 FF Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397886 FF Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397887 FF Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(=O)O)c1OC ZINC000587397892 FF Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(=O)O)c1OC ZINC000587397894 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCNC3=O)cc1)O2 ZINC000587398045 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCNC3=O)cc1)O2 ZINC000587398047 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(COC3(CN(C(=O)OC(C)(C)C)C3)C1)O2 ZINC000587398074 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(COC3(CN(C(=O)OC(C)(C)C)C3)C1)O2 ZINC000587398076 FF Annotated Anodyne COc1ccc([C@@]2(COCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398087 FF Annotated Anodyne COc1ccc([C@]2(COCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398088 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)N[C@@H](Cc3ccccc3)C1)O2 ZINC000587398115 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)N[C@H](Cc3ccccc3)C1)O2 ZINC000587398116 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)N[C@H](Cc3ccccc3)C1)O2 ZINC000587398117 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)N[C@@H](Cc3ccccc3)C1)O2 ZINC000587398118 FF Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC(=O)O ZINC000587398135 FF Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC(=O)O ZINC000587398136 FF Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@@]3(CC[C@@H]2CN1)CC(=O)c1cc(C)cc(N)c1O3 ZINC000587398137 FF Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1)CC(=O)c1cc(C)cc(N)c1O3 ZINC000587398138 FF Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@@]3(CC[C@H]2CN1)CC(=O)c1cc(C)cc(N)c1O3 ZINC000587398139 FF Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1)CC(=O)c1cc(C)cc(N)c1O3 ZINC000587398140 FF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(C)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398297 FF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(C)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398298 FF Annotated Anodyne CCOC(=O)CC[C@@]1(CC(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398323 FF Annotated Anodyne CCOC(=O)CC[C@]1(CC(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398324 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(COC(CN3CCCCCC3)=CC1=O)O2 ZINC000587398349 FF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(COC(CN3CCCCCC3)=CC1=O)O2 ZINC000587398350 FF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(N3CCOCC3)ccc1N)O2 ZINC000587398400 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(N3CCOCC3)ccc1N)O2 ZINC000587398401 FF Annotated Anodyne COC(=O)COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587398412 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(COCCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587398413 FF Annotated Anodyne COC(=O)COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587398414 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(COCCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587398415 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)C2CN(C(C)C)CC1CN(C(C)C)C2 ZINC000587398444 FF Annotated Anodyne COc1cc(OC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1C=O ZINC000587398553 FF Annotated Anodyne COc1cc(OC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1C=O ZINC000587398555 FF Annotated Anodyne COc1cc(OCC(=O)O)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398877 FF Annotated Anodyne COc1cc(OCC(=O)O)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398878 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(CN3CCCCCC3)OCC1=O)O2 ZINC000587399609 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(CN3CCCCCC3)OCC1=O)O2 ZINC000587399610 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(=O)N3CCOCC3)cc1)O2 ZINC000587399631 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(=O)N3CCOCC3)cc1)O2 ZINC000587399632 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(=O)c1ccc(N3CCOCC3)cc1)O2 ZINC000587399998 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C(=O)c1ccc(N3CCOCC3)cc1)O2 ZINC000587399999 FF Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)O ZINC000587400204 FF Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)O ZINC000587400206 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCOCC3)c(C#N)c1)O2 ZINC000587400436 FF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCOCC3)c(C#N)c1)O2 ZINC000587400437 FF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCOCC3)c(N)c1)O2 ZINC000587400489 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCOCC3)c(N)c1)O2 ZINC000587400493 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]1CO2 ZINC000587400495 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H]2CO[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000587400499 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2CO[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000587400503 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]1CO2 ZINC000587400507 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2CO[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000587400510 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H]2CO[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000587400513 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cn1cccnc1=O)(c1ccccc1)O2 ZINC000587400550 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cn1cccnc1=O)(c1ccccc1)O2 ZINC000587400552 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(N3CCNC3=O)c1)O2 ZINC000587400691 FF Annotated Anodyne COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)O ZINC000587400810 FF Annotated Anodyne COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)O ZINC000587400811 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(N3CCNC3=O)c1)O2 ZINC000587400845 FF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400928 FF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400930 FF Annotated Anodyne COc1ccc(OCC(=O)O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587401131 FF Annotated Anodyne COc1ccc(OCC(=O)O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587401134 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc3c(cc21)OCCCO3 ZINC000587401201 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc3c(cc21)OCCCO3 ZINC000587401203 FF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401324 FF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401326 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(OCCO)cc1)(C(C)(C)O)O2 ZINC000587401768 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(OCCO)cc1)(C(C)(C)O)O2 ZINC000587401769 FF Annotated Anodyne COc1cc(CC(=O)O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587401829 FF Annotated Anodyne COc1cc(CC(=O)O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587401831 FF Annotated Anodyne CCOCCN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587402064 FF Annotated Anodyne CCOCCN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 ZINC000587402065 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCOCC3)nc1)O2 ZINC000587402081 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCOCC3)nc1)O2 ZINC000587402082 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCOCC3)cc1O)O2 ZINC000587402163 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCOCC3)cc1O)O2 ZINC000587402167 FF Annotated Anodyne CCOC(=O)C[C@]1(C(OCC)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402236 FF Annotated Anodyne CCOC(=O)C[C@@]1(C(OCC)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402241 FF Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC(=O)O ZINC000587402523 FF Annotated Anodyne COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC(=O)O ZINC000587402524 FF Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCC(=O)O)c1 ZINC000587402559 FF Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCC(=O)O)c1 ZINC000587402560 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(C13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)O2 ZINC000587403566 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(C13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)O2 ZINC000587403568 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@]2(C)CC[C@@]1(C(=O)O)C2(C)C ZINC000587406314 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@]2(C)CC[C@@]1(C(=O)O)C2(C)C ZINC000587406316 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NS(C)(=O)=O)cc1)O2 ZINC000587407594 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NS(C)(=O)=O)cc1)O2 ZINC000587407595 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(=O)O)cc3c1OCOC3)O2 ZINC000587408034 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(=O)O)cc3c1OCOC3)O2 ZINC000587408035 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NS(C)(=O)=O)c1)O2 ZINC000587408373 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NS(C)(=O)=O)c1)O2 ZINC000587408375 FF Annotated Anodyne CCOC(=O)[C@@]1(c2ccc3c(c2)CCO3)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408470 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3c1N(S(C)(=O)=O)CC3)O2 ZINC000587408503 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3c1N(S(C)(=O)=O)CC3)O2 ZINC000587408506 FF Annotated Anodyne CCOC(=O)[C@]1(c2ccc3c(c2)CCO3)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408658 FF Annotated Anodyne COC(=O)C[C@]1(c2ccc3c(c2)OCO3)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408723 FF Annotated Anodyne COC(=O)C[C@@]1(c2ccc3c(c2)OCO3)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408726 FF Annotated Anodyne CCN1c2ccccc2[C@]2(CC(=O)c3cc(C)cc(N)c3O2)CS1(=O)=O ZINC000587408784 FF Annotated Anodyne CCN1c2ccccc2[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)CS1(=O)=O ZINC000587408788 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)N(C)C)cc1)O2 ZINC000587408795 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)N(C)C)cc1)O2 ZINC000587408796 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(S(=O)(=O)N(C)C)c1)O2 ZINC000587408839 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(S(=O)(=O)N(C)C)c1)O2 ZINC000587408852 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)c(S(N)(=O)=O)c1)O2 ZINC000587408886 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)c(S(N)(=O)=O)c1)O2 ZINC000587408889 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(S(N)(=O)=O)c(C)cc1C)O2 ZINC000587408923 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(S(N)(=O)=O)c(C)cc1C)O2 ZINC000587408926 FF Annotated Anodyne Cc1ccc([C@@]2(CC(=O)C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587408974 FF Annotated Anodyne Cc1ccc([C@]2(CC(=O)C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587408975 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(=O)(=O)N(C)C)cc1)O2 ZINC000587409149 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(=O)(=O)N(C)C)cc1)O2 ZINC000587409158 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](O)SCC(=O)O)O2 ZINC000587409302 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](O)SCC(=O)O)O2 ZINC000587409316 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](O)SCC(=O)O)O2 ZINC000587409318 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](O)SCC(=O)O)O2 ZINC000587409320 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(S(=O)(=O)N(C)C)c1)O2 ZINC000587409537 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(S(=O)(=O)N(C)C)c1)O2 ZINC000587409538 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@]2(C(=O)O)CC[C@@]1(C)C2(C)C ZINC000587409912 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@]2(C(=O)O)CC[C@@]1(C)C2(C)C ZINC000587409913 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(C)(=O)=O)c(C#N)c1)O2 ZINC000587410000 FF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(C)(=O)=O)c(C#N)c1)O2 ZINC000587410001 FF Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(C)c1SCC(=O)O)O2 ZINC000587410369 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(C)c1SCC(=O)O)O2 ZINC000587410370 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1nc(O)cc(O)n1)(C1CC1)O2 ZINC000587411085 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1nc(O)cc(O)n1)(C1CC1)O2 ZINC000587411097 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C(N)=O)cs1)O2 ZINC000587411332 FF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C(N)=O)cs1)O2 ZINC000587411333 FF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(O[C@@H]3CCOC3=O)c1)O2 ZINC000587411758 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(O[C@@H]3CCOC3=O)c1)O2 ZINC000587411760 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(O[C@H]3CCOC3=O)c1)O2 ZINC000587411762 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(O[C@H]3CCOC3=O)c1)O2 ZINC000587411763 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(N3CCOCC3)nc1C)O2 ZINC000587411926 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(N3CCOCC3)nc1C)O2 ZINC000587411927 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2SCC1(CO)CO ZINC000587412442 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2SCC1(CO)CO ZINC000587412443 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(Br)cnn1C)[C@@H](C2)C3=O ZINC000587412913 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(Br)cnn1C)[C@@H](C2)C3=O ZINC000587412915 FF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587412978 FF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587412987 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)([C@H]1CCOC1)[C@@H](C2)C3=O ZINC000587413385 FF Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)([C@H]1CCOC1)[C@@H](C2)C3=O ZINC000587413386 FF Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)([C@@H]1CCOC1)[C@@H](C2)C3=O ZINC000587413387 FF Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)([C@@H]1CCOC1)[C@@H](C2)C3=O ZINC000587413388 FF Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1ncncc1Br)[C@@H](C2)C3=O ZINC000587413685 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ncncc1Br)[C@@H](C2)C3=O ZINC000587413687 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1cncnc1)[C@@H](C2)C3=O ZINC000587413796 FF Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cncnc1)[C@@H](C2)C3=O ZINC000587413797 FF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)CCl)(c1cccs1)O2 ZINC000587413824 FF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CNC(=O)CCl)(c1cccs1)O2 ZINC000587413825 FF Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1n[nH]c(=N)s1)(C1CC1)O2 ZINC000587413874 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1n[nH]c(=N)s1)(C1CC1)O2 ZINC000587413875 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1cnccn1)[C@@H](C2)C3=O ZINC000587414064 FF Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1cnccn1)[C@@H](C2)C3=O ZINC000587414065 FF Annotated Reactive CCOC(=O)C[C@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414485 FF Annotated Reactive CCOC(=O)C[C@@]1(CBr)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414490 FF Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccncn1)[C@@H](C2)C3=O ZINC000587414503 FF Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccncn1)[C@@H](C2)C3=O ZINC000587414504 FF Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cnc(N)c(Br)c1)[C@@H](C2)C3=O ZINC000587414520 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(N)c(Br)c1)[C@@H](C2)C3=O ZINC000587414522 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Br)c(C)nn1C)[C@@H](C2)C3=O ZINC000587414727 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Br)c(C)nn1C)[C@@H](C2)C3=O ZINC000587414734 FF Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccco2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415295 FF Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccco2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415298 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc3ccccc3s1)(C(O)O)O2 ZINC000587415470 FF Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc3ccccc3s1)(C(O)O)O2 ZINC000587415471 FF Annotated Anodyne CCOC(=O)[C@]1([C@@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587415581 FF Annotated Reactive CCOC(=O)[C@@]1([C@@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587415582 FF Annotated Reactive CCOC(=O)[C@]1([C@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587415583 FF Annotated Reactive CCOC(=O)[C@@]1([C@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587415584 FF Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1ncc(Br)cn1)[C@@H](C2)C3=O ZINC000587416466 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ncc(Br)cn1)[C@@H](C2)C3=O ZINC000587416467 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C(N)=O)oc1C)[C@@H](C2)C3=O ZINC000587416490 FF Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C(N)=O)oc1C)[C@@H](C2)C3=O ZINC000587416492 FF Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccnc(Br)c1N)[C@@H](C2)C3=O ZINC000587416914 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccnc(Br)c1N)[C@@H](C2)C3=O ZINC000587416915 FF Annotated Anodyne CCOC(=O)C(Cl)(Cl)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416994 FF Annotated Anodyne CCOC(=O)C(Cl)(Cl)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416995 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ncc(Br)cc1N)[C@@H](C2)C3=O ZINC000587417082 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ncc(Br)cc1N)[C@@H](C2)C3=O ZINC000587417084 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(Cn1nnc4ccccc41)[C@@H](C2)C3=O ZINC000587417358 FF Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(Cn1nnc4ccccc41)[C@@H](C2)C3=O ZINC000587417360 FF Annotated Reactive COc1cc2c3c(c1)O[C@](C)(Cn1cc(Br)cn1)[C@@H](C2)C3=O ZINC000587417433 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cn1cc(Br)cn1)[C@@H](C2)C3=O ZINC000587417434 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H](Br)C1=O)[C@@H](C2)C3=O ZINC000587417700 FF Annotated Reactive COc1cc2c3c(c1)O[C@@]1(CCC[C@H](Br)C1=O)[C@@H](C2)C3=O ZINC000587417701 FF Annotated Reactive COc1cc2c3c(c1)O[C@@]1(CCC[C@@H](Br)C1=O)[C@@H](C2)C3=O ZINC000587417702 FF Annotated Reactive COc1cc2c3c(c1)O[C@]1(CCC[C@H](Br)C1=O)[C@@H](C2)C3=O ZINC000587417703 FF Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C(=O)CCC[C@H]1Br)[C@@H](C2)C3=O ZINC000587418688 FF Annotated Reactive COc1cc2c3c(c1)O[C@]1(C(=O)CCC[C@H]1Br)[C@@H](C2)C3=O ZINC000587418689 FF Annotated Reactive COc1cc2c3c(c1)O[C@]1(C(=O)CCC[C@@H]1Br)[C@@H](C2)C3=O ZINC000587418690 FF Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C(=O)CCC[C@@H]1Br)[C@@H](C2)C3=O ZINC000587418692 FF Annotated Reactive COc1cc2c3c(c1)O[C@](C)([C@@H](NC(=O)CCl)C(C)C)[C@@H](C2)C3=O ZINC000587419302 FF Annotated Reactive COc1cc2c3c(c1)O[C@@](C)([C@H](NC(=O)CCl)C(C)C)[C@@H](C2)C3=O ZINC000587419329 FF Annotated Reactive COc1cc2c3c(c1)O[C@](C)([C@H](NC(=O)CCl)C(C)C)[C@@H](C2)C3=O ZINC000587419331 FF Annotated Reactive COc1cc2c3c(c1)O[C@@](C)([C@@H](NC(=O)CCl)C(C)C)[C@@H](C2)C3=O ZINC000587419333 FF Annotated Reactive COc1cc2c3c(c1)OC1(CCN(c4ccc(Cl)nn4)CC1)[C@@H](C2)C3=O ZINC000587419405 FF Annotated Anodyne COC(=O)c1coc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587420299 FF Annotated Reactive COC(=O)c1coc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587420300 FF Annotated Reactive COc1cc2c3c(c1)O[C@](CNC(=O)CCl)(c1ccccc1)[C@@H](C2)C3=O ZINC000587420301 FF Annotated Reactive COc1cc2c3c(c1)O[C@@](CNC(=O)CCl)(c1ccccc1)[C@@H](C2)C3=O ZINC000587420306 FF Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1c(Cl)nc(=N)[nH]c1Cl)[C@@H](C2)C3=O ZINC000587420357 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Cl)nc(=N)[nH]c1Cl)[C@@H](C2)C3=O ZINC000587420360 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](COC(C)=O)(c1ccc(Cl)cn1)[C@@H](C2)C3=O ZINC000587420494 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](COC(C)=O)(c1ccc(Cl)cn1)[C@@H](C2)C3=O ZINC000587420496 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)cnc1N)[C@@H](C2)C3=O ZINC000587420644 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)cnc1N)[C@@H](C2)C3=O ZINC000587420645 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(N)=O)c(Cl)c1)[C@@H](C2)C3=O ZINC000587421101 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(N)=O)c(Cl)c1)[C@@H](C2)C3=O ZINC000587421103 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC=Cn4c1nc(CCl)cc4=O)[C@@H](C2)C3=O ZINC000587421294 FF Annotated Reactive COc1cc2c3c(c1)O[C@]1(CC=Cn4c1nc(CCl)cc4=O)[C@@H](C2)C3=O ZINC000587421301 FF Annotated Reactive CCOC(=O)[C@]1(c2ccc(Cl)nc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421328 FF Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)nc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421331 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cn1nc(Cl)nc1Cl)[C@@H](C2)C3=O ZINC000587421962 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cn1nc(Cl)nc1Cl)[C@@H](C2)C3=O ZINC000587421963 FF Annotated Anodyne COC(=O)C[C@]1(C2CC(F)(F)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422109 FF Annotated Anodyne COC(=O)C[C@@]1(C2CC(F)(F)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422111 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(C)c4c(Cl)cccc41)[C@@H](C2)C3=O ZINC000587422334 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(C)c4c(Cl)cccc41)[C@@H](C2)C3=O ZINC000587422335 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CO)(c1ccc(OC)c(Cl)c1)[C@@H](C2)C3=O ZINC000587424335 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](CO)(c1ccc(OC)c(Cl)c1)[C@@H](C2)C3=O ZINC000587424337 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(F)(F)F)nn(C)c1O)[C@@H](C2)C3=O ZINC000587424422 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(F)(F)F)nn(C)c1O)[C@@H](C2)C3=O ZINC000587424423 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C1(F)CN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587424607 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](C1(F)CN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587424608 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(F)c(S(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587424763 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(S(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587424764 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(S(C)(=O)=O)c(F)c1)[C@@H](C2)C3=O ZINC000587425376 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(S(C)(=O)=O)c(F)c1)[C@@H](C2)C3=O ZINC000587425378 FF Annotated Anodyne COC(=O)[C@@]1(c2ccc(F)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587425925 FF Annotated Anodyne COC(=O)[C@]1(c2ccc(F)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587425926 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1cnn[nH]1)[C@@H](C2)C3=O ZINC000587426201 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1cnn[nH]1)[C@@H](C2)C3=O ZINC000587426202 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccc(F)cc4)n1)[C@@H](C2)C3=O ZINC000587426293 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccc(F)cc4)n1)[C@@H](C2)C3=O ZINC000587426294 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCS(=O)(=O)c4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587426372 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCS(=O)(=O)c4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587426373 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OCC(=O)N(C)C)[C@@H](C2)C3=O ZINC000587426578 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCC(=O)N(C)C)[C@@H](C2)C3=O ZINC000587426580 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(S(C)(=O)=O)cc1F)[C@@H](C2)C3=O ZINC000587426833 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(S(C)(=O)=O)cc1F)[C@@H](C2)C3=O ZINC000587426834 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)C[C@H]1F)[C@@H](C2)C3=O ZINC000587427112 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)C[C@H]1F)[C@@H](C2)C3=O ZINC000587427114 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)C[C@@H]1F)[C@@H](C2)C3=O ZINC000587427115 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)C[C@@H]1F)[C@@H](C2)C3=O ZINC000587427117 FF Annotated Anodyne CN[C@H](C)[C@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427346 FF Annotated Anodyne CN[C@@H](C)[C@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427353 FF Annotated Anodyne CN[C@@H](C)[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427354 FF Annotated Anodyne CN[C@H](C)[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427356 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(COC(=O)c1ccccc1N)[C@@H](C2)C3=O ZINC000587427550 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(COC(=O)c1ccccc1N)[C@@H](C2)C3=O ZINC000587427553 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1cccc(C)n1)[C@@H](C2)C3=O ZINC000587427568 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1cccc(C)n1)[C@@H](C2)C3=O ZINC000587427571 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(OC)c1N)[C@@H](C2)C3=O ZINC000587427660 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(OC)c1N)[C@@H](C2)C3=O ZINC000587427667 FF Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427733 FF Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427735 FF Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427739 FF Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427741 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(C(=O)O)Oc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587428066 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(C(=O)O)Oc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587428072 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(C(=O)O)=COc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587428082 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(C(=O)O)=COc4ccc(F)cc41)[C@@H](C2)C3=O ZINC000587428084 FF Annotated Anodyne COCCN(C)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587428192 FF Annotated Anodyne COCCN(C)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587428194 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1nc[nH]n1)[C@@H](C2)C3=O ZINC000587428524 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1nc[nH]n1)[C@@H](C2)C3=O ZINC000587428526 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(CN(C)C)c(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587428544 FF Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(CN(C)C)c(O)c(OC)c1)[C@@H](C2)C3=O ZINC000587428545 FF Annotated Clean CCOC(=O)[C@@]1(c2ccc(C#N)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428918 FF Annotated Mild CCOC(=O)[C@]1(c2ccc(C#N)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428919 FF Annotated Mild COc1cc2c3c(c1)O[C@]1(C=C(C(=O)O)Oc4cc(F)ccc41)[C@@H](C2)C3=O ZINC000587429092 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(C(=O)O)Oc4cc(F)ccc41)[C@@H](C2)C3=O ZINC000587429093 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)n(-n4cnnc4)c1C)[C@@H](C2)C3=O ZINC000587429256 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-n4cnnc4)c1C)[C@@H](C2)C3=O ZINC000587429257 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCS(=O)(=O)c4c(F)cccc41)[C@@H](C2)C3=O ZINC000587429365 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCS(=O)(=O)c4c(F)cccc41)[C@@H](C2)C3=O ZINC000587429367 FF Annotated Anodyne CC[C@]1(c2cc(C(=O)OC)n(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429371 FF Annotated Anodyne CC[C@@]1(c2cc(C(=O)OC)n(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429374 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(F)ccc1S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587429497 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(F)ccc1S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587429498 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C(\C)N(C)C)(c1cnccn1)[C@@H](C2)C3=O ZINC000587429575 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C(\C)N(C)C)(c1cnccn1)[C@@H](C2)C3=O ZINC000587429576 FF Annotated Anodyne CCN1C(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(F)ccc21 ZINC000587429653 FF Annotated Anodyne CCN1C(=O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(F)ccc21 ZINC000587429656 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCC(=O)N(C)C)c1)[C@@H](C2)C3=O ZINC000587429693 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OCC(=O)N(C)C)c1)[C@@H](C2)C3=O ZINC000587429694 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cnn(C)c1)(c1ccccc1O)[C@@H](C2)C3=O ZINC000587429818 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cnn(C)c1)(c1ccccc1O)[C@@H](C2)C3=O ZINC000587429824 FF Annotated Anodyne CCn1nccc1[C@]1(/C=C/N(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429863 FF Annotated Anodyne CCn1nccc1[C@]1(/C=C\N(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429872 FF Annotated Anodyne CCn1nccc1[C@@]1(/C=C\N(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429874 FF Annotated Anodyne CCn1nccc1[C@@]1(/C=C/N(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587429878 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)(c1cc(F)ccc1OC)[C@@H](C2)C3=O ZINC000587430001 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)(c1cc(F)ccc1OC)[C@@H](C2)C3=O ZINC000587430004 FF Annotated Anodyne CCOC(=O)[C@@H](C#N)[C@]1(C(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430192 FF Annotated Mild CCOC(=O)[C@H](C#N)[C@@]1(C(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430195 FF Annotated Mild CCOC(=O)[C@@H](C#N)[C@@]1(C(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430196 FF Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(C(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430198 FF Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)nc1/C=C/N(C)C)[C@@H](C2)C3=O ZINC000587430304 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(O)nc1/C=C/N(C)C)[C@@H](C2)C3=O ZINC000587430305 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1c(C)nn(C)c1C)[C@@H](C2)C3=O ZINC000587430309 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1c(C)nn(C)c1C)[C@@H](C2)C3=O ZINC000587430310 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1c(C)nn(C)c1C)[C@@H](C2)C3=O ZINC000587430312 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1c(C)nn(C)c1C)[C@@H](C2)C3=O ZINC000587430314 FF Annotated Anodyne CCC[C@@]1(/C(=C\N(C)C)C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430606 FF Annotated Anodyne CCC[C@@]1(/C(=C/N(C)C)C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430608 FF Annotated Anodyne CCC[C@]1(/C(=C\N(C)C)C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430609 FF Annotated Anodyne CCC[C@]1(/C(=C/N(C)C)C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430610 FF Annotated Anodyne COc1ccc2c(c1)OC=C(N)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430706 FF Annotated Anodyne COc1ccc2c(c1)OC=C(N)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430707 FF Annotated Anodyne COC(=O)CCn1nc(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587430769 FF Annotated Anodyne COC(=O)CCn1nc(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587430772 FF Annotated Anodyne COC(=O)c1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1[N+](=O)[O-] ZINC000587430944 FF Annotated Bother COC(=O)c1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1[N+](=O)[O-] ZINC000587430958 FF Annotated Bother COC(=O)C[C@@]1(c2ccc(C#N)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431035 FF Annotated Mild COC(=O)C[C@]1(c2ccc(C#N)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431037 FF Annotated Mild CCOC(=O)/C(=C/N(C)C)[C@@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431089 FF Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431091 FF Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431093 FF Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431095 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(O)c(OC)c1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587431176 FF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(O)c(OC)c1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587431182 FF Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1cc4c(cc1[N+](=O)[O-])OCO4)[C@@H](C2)C3=O ZINC000587431246 FF Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1cc4c(cc1[N+](=O)[O-])OCO4)[C@@H](C2)C3=O ZINC000587431250 FF Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C2)C3=O ZINC000587431276 FF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](C2)C3=O ZINC000587431280 FF Annotated Bother CCOC(=O)Cn1nc(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587431309 FF Annotated Anodyne CCOC(=O)Cn1nc(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587431311 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])cc4c1OCOC4)[C@@H](C2)C3=O ZINC000587431316 FF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])cc4c1OCOC4)[C@@H](C2)C3=O ZINC000587431317 FF Annotated Bother COc1cc2c3c(c1)O[C@](CC[C@H](N)C(=O)O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587431323 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](CC[C@@H](N)C(=O)O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587431327 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC[C@@H](N)C(=O)O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587431332 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC[C@H](N)C(=O)O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587431338 FF Annotated Anodyne CCn1cc([C@@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587431353 FF Annotated Anodyne CCn1cc([C@]2(/C=C\N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587431356 FF Annotated Anodyne CCn1cc([C@@]2(/C=C\N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587431358 FF Annotated Anodyne CCn1cc([C@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587431359 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(N)cc1)[C@@H](C2)C3=O ZINC000587431457 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(N)cc1)[C@@H](C2)C3=O ZINC000587431458 FF Annotated Anodyne CNC(=O)[C@H](C)Oc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431510 FF Annotated Anodyne CNC(=O)[C@@H](C)Oc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431513 FF Annotated Anodyne CNC(=O)[C@@H](C)Oc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431515 FF Annotated Anodyne CNC(=O)[C@H](C)Oc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431519 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(N)cc1)(c1nccn1C)[C@@H](C2)C3=O ZINC000587431641 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(N)cc1)(c1nccn1C)[C@@H](C2)C3=O ZINC000587431642 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@]4(C(N)=O)CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O ZINC000587431835 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@]4(C(N)=O)CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O ZINC000587431836 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4c(cc1[N+](=O)[O-])OCCO4)[C@@H](C2)C3=O ZINC000587431899 FF Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc4c(cc1[N+](=O)[O-])OCCO4)[C@@H](C2)C3=O ZINC000587431904 FF Annotated Bother COc1cc2c3c(c1)O[C@H](c1c[nH]ccc1=NC(=O)C(C)(C)C)[C@@H](C2)C3=O ZINC000587431952 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c[nH]ccc1=NC(=O)C(C)(C)C)[C@@H](C2)C3=O ZINC000587431956 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(C)nn(CCC(=O)O)c1C)[C@@H](C2)C3=O ZINC000587432044 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(C)nn(CCC(=O)O)c1C)[C@@H](C2)C3=O ZINC000587432063 FF Annotated Anodyne COCCn1nc(C)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587432123 FF Annotated Anodyne COCCn1nc(C)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587432124 FF Annotated Anodyne CCn1ccc([C@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587432171 FF Annotated Anodyne CCn1ccc([C@]2(/C=C\N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587432172 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(O)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587432202 FF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(O)cc1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587432204 FF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(OC)cc([N+](=O)[O-])c1O)[C@@H](C2)C3=O ZINC000587432220 FF Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(OC)cc([N+](=O)[O-])c1O)[C@@H](C2)C3=O ZINC000587432222 FF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1n[nH]c4ccc([N+](=O)[O-])cc14)[C@@H](C2)C3=O ZINC000587432269 FF Annotated Bother COc1cc2c3c(c1)O[C@H](c1n[nH]c4ccc([N+](=O)[O-])cc14)[C@@H](C2)C3=O ZINC000587432272 FF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])cc(OC)c1O)[C@@H](C2)C3=O ZINC000587432376 FF Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])cc(OC)c1O)[C@@H](C2)C3=O ZINC000587432377 FF Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1c(N)ccc(OC)c1OC)[C@@H](C2)C3=O ZINC000587432383 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(N)ccc(OC)c1OC)[C@@H](C2)C3=O ZINC000587432384 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ncccc1C)[C@@H](C2)C3=O ZINC000587432385 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ncccc1C)[C@@H](C2)C3=O ZINC000587432386 FF Annotated Anodyne CCn1ccc([C@@]2(/C=C\N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587432429 FF Annotated Anodyne CCn1ccc([C@@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587432431 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc4c(cc1N)OCCO4)[C@@H](C2)C3=O ZINC000587432502 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc4c(cc1N)OCCO4)[C@@H](C2)C3=O ZINC000587432507 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(CC(N)=O)c4ccccc14)[C@@H](C2)C3=O ZINC000587432603 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(CC(N)=O)c4ccccc14)[C@@H](C2)C3=O ZINC000587432604 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](N)c4cc(OC)c(OC)cc41)[C@@H](C2)C3=O ZINC000587432713 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](N)c4cc(OC)c(OC)cc41)[C@@H](C2)C3=O ZINC000587432714 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](N)c4cc(OC)c(OC)cc41)[C@@H](C2)C3=O ZINC000587432715 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](N)c4cc(OC)c(OC)cc41)[C@@H](C2)C3=O ZINC000587432716 FF Annotated Anodyne CCNC(=O)COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587432762 FF Annotated Anodyne CCNC(=O)COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587432768 FF Annotated Anodyne COC(=O)c1ccc([N+](=O)[O-])c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587432892 FF Annotated Bother COC(=O)c1ccc([N+](=O)[O-])c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587432893 FF Annotated Bother CCOC(=O)C[C@]1(c2cnn(CC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587432945 FF Annotated Anodyne CCOC(=O)C[C@@]1(c2cnn(CC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587432946 FF Annotated Anodyne CCn1cc([C@]2(/C=C\N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 ZINC000587432991 FF Annotated Anodyne CCn1cc([C@@]2(/C=C\N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 ZINC000587432996 FF Annotated Anodyne CCn1cc([C@@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 ZINC000587432997 FF Annotated Anodyne CCn1cc([C@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 ZINC000587432998 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1n[nH]c4cc([N+](=O)[O-])ccc14)[C@@H](C2)C3=O ZINC000587433052 FF Annotated Bother COc1cc2c3c(c1)O[C@H](c1n[nH]c4cc([N+](=O)[O-])ccc14)[C@@H](C2)C3=O ZINC000587433053 FF Annotated Bother COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4nc(=N)[nH]cc41)[C@@H](C2)C3=O ZINC000587433054 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4nc(=N)[nH]cc41)[C@@H](C2)C3=O ZINC000587433055 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])cc1C(=O)O)[C@@H](C2)C3=O ZINC000587433058 FF Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])cc1C(=O)O)[C@@H](C2)C3=O ZINC000587433059 FF Annotated Bother COc1cc2c3c(c1)O[C@](C)(Cn1nc(C)c([N+](=O)[O-])c1C)[C@@H](C2)C3=O ZINC000587433094 FF Annotated Bother COc1cc2c3c(c1)O[C@@](C)(Cn1nc(C)c([N+](=O)[O-])c1C)[C@@H](C2)C3=O ZINC000587433095 FF Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(C=O)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587433110 FF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(C=O)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587433111 FF Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc4c(cc1[N+](=O)[O-])OCO4)[C@@H](C2)C3=O ZINC000587433128 FF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc4c(cc1[N+](=O)[O-])OCO4)[C@@H](C2)C3=O ZINC000587433129 FF Annotated Bother CCn1ncc([C@]2(/C=C\N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587433451 FF Annotated Anodyne CCn1ncc([C@@]2(/C=C\N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587433452 FF Annotated Anodyne CCn1ncc([C@@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587433453 FF Annotated Anodyne CCn1ncc([C@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587433454 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1cccc(N)c1)[C@@H](C2)C3=O ZINC000587433485 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1cccc(N)c1)[C@@H](C2)C3=O ZINC000587433486 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1cc(C)ccn1)[C@@H](C2)C3=O ZINC000587433495 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1cc(C)ccn1)[C@@H](C2)C3=O ZINC000587433496 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(N)cc(OC)cc1OC)[C@@H](C2)C3=O ZINC000587434021 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(N)cc(OC)cc1OC)[C@@H](C2)C3=O ZINC000587434022 FF Annotated Anodyne COC(=O)CC[C@]1(c2ccccc2N)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434023 FF Annotated Anodyne COC(=O)CC[C@@]1(c2ccccc2N)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434024 FF Annotated Anodyne COC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c([N+](=O)[O-])c1 ZINC000587434072 FF Annotated Bother COC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c([N+](=O)[O-])c1 ZINC000587434073 FF Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434253 FF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434254 FF Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1cc(OC)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434308 FF Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1cc(OC)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587434311 FF Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc(C=O)cc([N+](=O)[O-])c1O)[C@@H](C2)C3=O ZINC000587434647 FF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(C=O)cc([N+](=O)[O-])c1O)[C@@H](C2)C3=O ZINC000587434648 FF Annotated Bother COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4nc[nH]c(=N)c41)[C@@H](C2)C3=O ZINC000587434688 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4nc[nH]c(=N)c41)[C@@H](C2)C3=O ZINC000587434689 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c4oc(=N)[nH]c4c1)[C@@H](C2)C3=O ZINC000587434778 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c4oc(=N)[nH]c4c1)[C@@H](C2)C3=O ZINC000587434779 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)[C@@H](C2)C3=O ZINC000587434780 FF Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)[C@@H](C2)C3=O ZINC000587434781 FF Annotated Bother COc1cc2c3c(c1)O[C@H](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H](C2)C3=O ZINC000587434796 FF Annotated Bother COc1cc2c3c(c1)O[C@@H](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H](C2)C3=O ZINC000587434797 FF Annotated Bother COc1cc2c3c(c1)O[C@@](C)(c1cnc4c(C#N)cnn4c1C)[C@@H](C2)C3=O ZINC000587434869 FF Annotated Mild COc1cc2c3c(c1)O[C@](C)(c1cnc4c(C#N)cnn4c1C)[C@@H](C2)C3=O ZINC000587434880 FF Annotated Mild COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C(=O)C1)[C@@H](C2)C3=O ZINC000587434889 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C(=O)C1)[C@@H](C2)C3=O ZINC000587434893 FF Annotated Anodyne CCOCCCN1CC[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H](C)C1 ZINC000587434956 FF Annotated Anodyne CCOCCCN1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H](C)C1 ZINC000587434957 FF Annotated Anodyne CCOCCCN1CC[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](C)C1 ZINC000587434958 FF Annotated Anodyne CCOCCCN1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](C)C1 ZINC000587434960 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H]1CCN(C)C1=O)[C@@H](C2)C3=O ZINC000587434995 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1CCN(C)C1=O)[C@@H](C2)C3=O ZINC000587435005 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H]1CCN(C)C1=O)[C@@H](C2)C3=O ZINC000587435007 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1CCN(C)C1=O)[C@@H](C2)C3=O ZINC000587435009 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)nc1OC)[C@@H](C2)C3=O ZINC000587435129 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)nc1OC)[C@@H](C2)C3=O ZINC000587435130 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cn(Cc4ccccc4)nn1)[C@@H](C2)C3=O ZINC000587435330 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cn(Cc4ccccc4)nn1)[C@@H](C2)C3=O ZINC000587435332 FF Annotated Anodyne CCOC(=O)C[C@]1(c2ccncc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435526 FF Annotated Anodyne CCOC(=O)C[C@@]1(c2ccncc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435528 FF Annotated Anodyne CCOC(=O)[C@@]1(c2ncccc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435726 FF Annotated Anodyne CCOC(=O)[C@]1(c2ncccc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435727 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)nc(OC)c1OC)[C@@H](C2)C3=O ZINC000587435754 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)nc(OC)c1OC)[C@@H](C2)C3=O ZINC000587435755 FF Annotated Anodyne CCOC(=O)[C@@H](c1cccnc1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435929 FF Annotated Anodyne CCOC(=O)[C@@H](c1cccnc1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435932 FF Annotated Anodyne CCOC(=O)[C@H](c1cccnc1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435933 FF Annotated Anodyne CCOC(=O)[C@H](c1cccnc1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435934 FF Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@H]1CC1(C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436038 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)n4ccnc41)[C@@H](C2)C3=O ZINC000587436135 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)n4ccnc41)[C@@H](C2)C3=O ZINC000587436136 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(OC)c(OC)nc1OC)[C@@H](C2)C3=O ZINC000587436417 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(OC)c(OC)nc1OC)[C@@H](C2)C3=O ZINC000587436418 FF Annotated Anodyne CCOC(=O)c1cccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587436441 FF Annotated Anodyne CCOC(=O)c1cccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587436442 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccn1)([C@H](O)c1ccccn1)[C@@H](C2)C3=O ZINC000587436453 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccn1)([C@H](O)c1ccccn1)[C@@H](C2)C3=O ZINC000587436454 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccn1)([C@@H](O)c1ccccn1)[C@@H](C2)C3=O ZINC000587436455 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccn1)([C@@H](O)c1ccccn1)[C@@H](C2)C3=O ZINC000587436456 FF Annotated Anodyne CCOC(=O)C[C@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436591 FF Annotated Anodyne CCOC(=O)C[C@@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436592 FF Annotated Anodyne CCOC(=O)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587436677 FF Annotated Anodyne CCOC(=O)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587436678 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4cccnc4-c4ncccc41)[C@@H](C2)C3=O ZINC000587436801 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4cccnc4-c4ncccc41)[C@@H](C2)C3=O ZINC000587436803 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1[nH]c4cc(O)nc(O)c4c1C)[C@@H](C2)C3=O ZINC000587436848 FF Annotated Clean COc1cc2c3c(c1)O[C@](C)(c1[nH]c4cc(O)nc(O)c4c1C)[C@@H](C2)C3=O ZINC000587436851 FF Annotated Clean COC(=O)c1nc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n2ccccc12 ZINC000587436908 FF Annotated Anodyne COC(=O)c1nc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n2ccccc12 ZINC000587436909 FF Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436933 FF Annotated Anodyne CCOC(=O)C[C@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436934 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccnc(OC)c1)[C@@H](C2)C3=O ZINC000587437377 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccnc(OC)c1)[C@@H](C2)C3=O ZINC000587437385 FF Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(Cc4ccccn4)CC1)[C@@H](C2)C3=O ZINC000587437464 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C[C@@H]4CCCO4)C[C@@H]1C)[C@@H](C2)C3=O ZINC000587437615 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C[C@H]4CCCO4)C[C@@H]1C)[C@@H](C2)C3=O ZINC000587437616 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C[C@H]4CCCO4)C[C@H]1C)[C@@H](C2)C3=O ZINC000587437617 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C[C@@H]4CCCO4)C[C@H]1C)[C@@H](C2)C3=O ZINC000587437618 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CC(C(=O)O)C4)cc1)[C@@H](C2)C3=O ZINC000587437973 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CC(C(=O)O)C4)cc1)[C@@H](C2)C3=O ZINC000587437974 FF Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(C(=O)c4ccco4)CC1)[C@@H](C2)C3=O ZINC000587437991 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H](C2)C3=O ZINC000587438141 FF Annotated Mild COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@@H](C2)C3=O ZINC000587438145 FF Annotated Mild COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H](C2)C3=O ZINC000587438149 FF Annotated Mild COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@@H](C2)C3=O ZINC000587438153 FF Annotated Mild COC(=O)COc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587438194 FF Annotated Anodyne COC(=O)COc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587438201 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C)ccc1OCC(=O)O)[C@@H](C2)C3=O ZINC000587438215 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C)ccc1OCC(=O)O)[C@@H](C2)C3=O ZINC000587438219 FF Annotated Anodyne COC(=O)COc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587438446 FF Annotated Anodyne COC(=O)COc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587438449 FF Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438610 FF Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438612 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)OCC(=O)N4)[C@@H](C2)C3=O ZINC000587438689 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)OCC(=O)N4)[C@@H](C2)C3=O ZINC000587438692 FF Annotated Anodyne CCOc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439103 FF Annotated Anodyne CCOc1ccc2c(c1)NC(=O)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439105 FF Annotated Anodyne CCOc1ccc2c(c1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)N2 ZINC000587439155 FF Annotated Anodyne CCOc1ccc2c(c1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)N2 ZINC000587439156 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1n[nH]c4cc(C(=O)O)ccc14)[C@@H](C2)C3=O ZINC000587439182 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1n[nH]c4cc(C(=O)O)ccc14)[C@@H](C2)C3=O ZINC000587439183 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1c[nH]c(C(N)=O)c1)[C@@H](C2)C3=O ZINC000587439280 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c[nH]c(C(N)=O)c1)[C@@H](C2)C3=O ZINC000587439282 FF Annotated Anodyne COC(=O)COc1ccccc1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439568 FF Annotated Anodyne COC(=O)COc1ccccc1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439572 FF Annotated Anodyne COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCC(=O)O)c1 ZINC000587439616 FF Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCC(=O)O)c1 ZINC000587439623 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)O)cc1OC)[C@@H](C2)C3=O ZINC000587439672 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)O)c(OC)c1)[C@@H](C2)C3=O ZINC000587439712 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)O)c(OC)c1)[C@@H](C2)C3=O ZINC000587439713 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)O)cc1OC)[C@@H](C2)C3=O ZINC000587439738 FF Annotated Anodyne COC(=O)COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440008 FF Annotated Anodyne COC(=O)COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440010 FF Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(Cc4ccncc4)CC1)[C@@H](C2)C3=O ZINC000587440027 FF Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(C2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440029 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)NC(=O)CO4)[C@@H](C2)C3=O ZINC000587440043 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)NC(=O)CO4)[C@@H](C2)C3=O ZINC000587440044 FF Annotated Anodyne CCOC(=O)c1nocc1[C@]1(C2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440045 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccn1)([C@H]1CCCNC1)[C@@H](C2)C3=O ZINC000587440158 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccn1)([C@@H]1CCCNC1)[C@@H](C2)C3=O ZINC000587440159 FF Annotated Anodyne COC(=O)c1cc(OC)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587440169 FF Annotated Anodyne COC(=O)c1cc(OC)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587440171 FF Annotated Anodyne COc1cccc(C[C@@]2(C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587440196 FF Annotated Anodyne COc1cccc(C[C@]2(C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587440197 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(OCC(=O)O)c1)[C@@H](C2)C3=O ZINC000587440345 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(OCC(=O)O)c1)[C@@H](C2)C3=O ZINC000587440349 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccn1)([C@H]1CCCNC1)[C@@H](C2)C3=O ZINC000587440524 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccn1)([C@@H]1CCCNC1)[C@@H](C2)C3=O ZINC000587440526 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OCC(=O)O)[C@@H](C2)C3=O ZINC000587440642 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OCC(=O)O)[C@@H](C2)C3=O ZINC000587440651 FF Annotated Anodyne COC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C=O)c1 ZINC000587440800 FF Annotated Anodyne COC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C=O)c1 ZINC000587440805 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(N4CCNC4=O)c1)[C@@H](C2)C3=O ZINC000587440808 FF Annotated Anodyne COc1ccc([C@@]2(COC(C)=O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440814 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(N4CCNC4=O)c1)[C@@H](C2)C3=O ZINC000587440815 FF Annotated Anodyne COc1ccc([C@]2(COC(C)=O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440817 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)cc1C(=O)O)[C@@H](C2)C3=O ZINC000587440852 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)cc1C(=O)O)[C@@H](C2)C3=O ZINC000587440856 FF Annotated Anodyne COC(=O)c1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O ZINC000587440920 FF Annotated Anodyne COC(=O)c1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O ZINC000587440925 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCOCC4)nc1)[C@@H](C2)C3=O ZINC000587440969 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCOCC4)nc1)[C@@H](C2)C3=O ZINC000587440970 FF Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441020 FF Annotated Anodyne CCOC(=O)[C@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441021 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)C(OC(C)C)=C1OC(C)C)[C@@H](C2)C3=O ZINC000587441155 FF Annotated Mild COc1cc2c3c(c1)O[C@@]1(C(=O)C(OC(C)C)=C1OC(C)C)[C@@H](C2)C3=O ZINC000587441165 FF Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OCC(=O)O)c1)[C@@H](C2)C3=O ZINC000587441235 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OCC(=O)O)c1)[C@@H](C2)C3=O ZINC000587441239 FF Annotated Anodyne COC(=O)c1ccc(OC)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587441298 FF Annotated Anodyne COC(=O)c1ccc(OC)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587441300 FF Annotated Anodyne CCOC(=O)C(=O)[C@H]1CCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441374 FF Annotated Anodyne CCOC(=O)C(=O)[C@H]1CCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441376 FF Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441379 FF Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441383 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(=O)N[C@@H](Cc4ccccc4)C1)[C@@H](C2)C3=O ZINC000587441399 FF Annotated Anodyne COC(=O)[C@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587441400 FF Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587441401 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(=O)N[C@H](Cc4ccccc4)C1)[C@@H](C2)C3=O ZINC000587441403 FF Annotated Anodyne COC(=O)[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587441406 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(=O)N[C@@H](Cc4ccccc4)C1)[C@@H](C2)C3=O ZINC000587441407 FF Annotated Anodyne COC(=O)[C@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 ZINC000587441410 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(=O)N[C@H](Cc4ccccc4)C1)[C@@H](C2)C3=O ZINC000587441411 FF Annotated Anodyne COC(=O)C[C@]1(c2ccccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441542 FF Annotated Anodyne COC(=O)C[C@@]1(c2ccccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441544 FF Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(O)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441741 FF Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(O)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441754 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCC(O)CC4)o1)[C@@H](C2)C3=O ZINC000587441816 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCC(O)CC4)o1)[C@@H](C2)C3=O ZINC000587441818 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OC)c1C(=O)O)[C@@H](C2)C3=O ZINC000587441849 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OC)c1C(=O)O)[C@@H](C2)C3=O ZINC000587441850 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(C)cc(OC)cc41)[C@@H](C2)C3=O ZINC000587441913 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(C)cc(OC)cc41)[C@@H](C2)C3=O ZINC000587441914 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccccc1OC)(C(=O)O)[C@@H](C2)C3=O ZINC000587442046 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccccc1OC)(C(=O)O)[C@@H](C2)C3=O ZINC000587442053 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cn1cnc4ccccc4c1=O)[C@@H](C2)C3=O ZINC000587442205 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cn1cnc4ccccc4c1=O)[C@@H](C2)C3=O ZINC000587442213 FF Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442249 FF Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442250 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](Cn1cccnc1=O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587442293 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(OC)cc(OC)c(C=O)c1O)[C@@H](C2)C3=O ZINC000587442294 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cn1cccnc1=O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587442295 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(OC)cc(OC)c(C=O)c1O)[C@@H](C2)C3=O ZINC000587442296 FF Annotated Anodyne COC(=O)c1ccc(C=O)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587442301 FF Annotated Anodyne COC(=O)c1ccc(C=O)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587442302 FF Annotated Anodyne COC(=O)COc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442481 FF Annotated Anodyne COC(=O)COc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442482 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)ccc1OCC(=O)O)[C@@H](C2)C3=O ZINC000587442489 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)ccc1OCC(=O)O)[C@@H](C2)C3=O ZINC000587442490 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(O)c(O)c1OC)[C@@H](C2)C3=O ZINC000587442680 FF Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(OC)c(O)c(O)c1OC)[C@@H](C2)C3=O ZINC000587442686 FF Annotated Clean COC(=O)[C@@]1(CCc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442728 FF Annotated Anodyne COC(=O)[C@]1(CCc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442730 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(CC(=O)O)c1)[C@@H](C2)C3=O ZINC000587442740 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(CC(=O)O)c1)[C@@H](C2)C3=O ZINC000587442742 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(OC)ccc(C)c41)[C@@H](C2)C3=O ZINC000587442916 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(OC)ccc(C)c41)[C@@H](C2)C3=O ZINC000587442918 FF Annotated Anodyne COCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 ZINC000587442983 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCNC4=O)cc1)[C@@H](C2)C3=O ZINC000587442984 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCNC4=O)cc1)[C@@H](C2)C3=O ZINC000587442985 FF Annotated Anodyne COCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 ZINC000587442986 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCN(C)CC4)cc1)[C@@H](C2)C3=O ZINC000587443074 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCN(C)CC4)cc1)[C@@H](C2)C3=O ZINC000587443077 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OCC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587443137 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCC(=O)O)cc1)[C@@H](C2)C3=O ZINC000587443140 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(N4CCCCC4)nc1)[C@@H](C2)C3=O ZINC000587443894 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(N4CCCCC4)nc1)[C@@H](C2)C3=O ZINC000587443895 FF Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443896 FF Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@@H]1C[C@]1(C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443899 FF Annotated Anodyne COC(=O)c1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587444040 FF Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC ZINC000587444041 FF Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444172 FF Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444209 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H]1[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]41)[C@@H](C2)C3=O ZINC000587444356 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](C1[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]14)[C@@H](C2)C3=O ZINC000587444363 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](C1[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]14)[C@@H](C2)C3=O ZINC000587444365 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H]1[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]41)[C@@H](C2)C3=O ZINC000587444368 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCN(C)CC4)o1)[C@@H](C2)C3=O ZINC000587444443 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCN(C)CC4)o1)[C@@H](C2)C3=O ZINC000587444444 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCNCC4)cc1)[C@@H](C2)C3=O ZINC000587444447 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCNCC4)cc1)[C@@H](C2)C3=O ZINC000587444448 FF Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444531 FF Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444532 FF Annotated Anodyne COC(=O)[C@H]1c2ccccc2C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444798 FF Annotated Anodyne COC(=O)[C@H]1c2ccccc2C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444800 FF Annotated Anodyne COC(=O)[C@@H]1c2ccccc2C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444803 FF Annotated Anodyne COC(=O)[C@@H]1c2ccccc2C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444806 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCNCC4)cc1)[C@@H](C2)C3=O ZINC000587444833 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCNCC4)cc1)[C@@H](C2)C3=O ZINC000587444836 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(N4CCN(C)CC4)c1)[C@@H](C2)C3=O ZINC000587444885 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(N4CCN(C)CC4)c1)[C@@H](C2)C3=O ZINC000587444886 FF Annotated Anodyne COC(=O)Cc1ccc(O)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587445075 FF Annotated Anodyne COC(=O)Cc1ccc(O)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587445079 FF Annotated Anodyne COC(=O)C[C@@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445185 FF Annotated Anodyne COC(=O)C[C@]1(c2cccc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445188 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCOCC4)cc1O)[C@@H](C2)C3=O ZINC000587445908 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCOCC4)cc1O)[C@@H](C2)C3=O ZINC000587445909 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(CN4CCOCC4)o1)[C@@H](C2)C3=O ZINC000587445950 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(CN4CCOCC4)o1)[C@@H](C2)C3=O ZINC000587445953 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)(c1ccc4c(c1)CCC4)[C@@H](C2)C3=O ZINC000587446667 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccc4c(c1)CCC4)[C@@H](C2)C3=O ZINC000587446668 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC(=O)C(=O)O)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587447150 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](CC(=O)C(=O)O)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587447151 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1NS(C)(=O)=O)[C@@H](C2)C3=O ZINC000587447405 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1NS(C)(=O)=O)[C@@H](C2)C3=O ZINC000587447408 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(NS(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587447514 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(NS(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587447515 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587447550 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587447551 FF Annotated Anodyne COc1cc2c3c(c1)OC(CCCC(=O)O)(CCCC(=O)O)[C@@H](C2)C3=O ZINC000587447646 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CS(=O)(=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587447688 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CS(=O)(=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587447689 FF Annotated Anodyne CCS(=O)(=O)c1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587447897 FF Annotated Anodyne CCS(=O)(=O)c1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587447898 FF Annotated Anodyne CCOC(=O)C[C@]1(C[C@@H]2CCCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448054 FF Annotated Anodyne CCOC(=O)C[C@]1(C[C@H]2CCCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448057 FF Annotated Anodyne CCOC(=O)C[C@@]1(C[C@H]2CCCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448059 FF Annotated Anodyne CCOC(=O)C[C@@]1(C[C@@H]2CCCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448060 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(NS(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587448386 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(NS(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587448388 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CSC#N)(c1ccc(O)c(O)c1)[C@@H](C2)C3=O ZINC000587448669 FF Annotated Reactive COc1cc2c3c(c1)O[C@](CSC#N)(c1ccc(O)c(O)c1)[C@@H](C2)C3=O ZINC000587448671 FF Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(CS(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587448893 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CS(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587448894 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(S(C)(=O)=O)s1)[C@@H](C2)C3=O ZINC000587449011 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(S(C)(=O)=O)s1)[C@@H](C2)C3=O ZINC000587449016 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C(N)=O)cs1)[C@@H](C2)C3=O ZINC000587449090 FF Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C(N)=O)cs1)[C@@H](C2)C3=O ZINC000587449093 FF Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@]4(C)CC[C@@]1(C(=O)O)C4(C)C)[C@@H](C2)C3=O ZINC000587449429 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@]4(C)CC[C@@]1(C(=O)O)C4(C)C)[C@@H](C2)C3=O ZINC000587449442 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(CS(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587449704 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(CS(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587449720 FF Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccs2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587449824 FF Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccs2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587449828 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCS(=O)(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587449862 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCS(=O)(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587449863 FF Annotated Anodyne COc1cc2c3c(c1)OC1(CC(C(=O)O)(c4ccccc4)C1)[C@@H](C2)C3=O ZINC000587449900 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@]4(C(=O)O)CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O ZINC000587450034 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@]4(C(=O)O)CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O ZINC000587450042 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(NS(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587450344 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(NS(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587450346 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1c(C)cc(C)cc1C)(C(O)O)[C@@H](C2)C3=O ZINC000587450478 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1c(C)cc(C)cc1C)(C(O)O)[C@@H](C2)C3=O ZINC000587450481 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(O[C@H]4CCOC4=O)c1)[C@@H](C2)C3=O ZINC000587450734 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(O[C@@H]4CCOC4=O)c1)[C@@H](C2)C3=O ZINC000587450737 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(O[C@H]4CCOC4=O)c1)[C@@H](C2)C3=O ZINC000587450738 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(O[C@@H]4CCOC4=O)c1)[C@@H](C2)C3=O ZINC000587450740 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccs1)(c1c[nH][nH]c1=N)[C@@H](C2)C3=O ZINC000587450877 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccs1)(c1c[nH][nH]c1=N)[C@@H](C2)C3=O ZINC000587450879 FF Annotated Anodyne C=CN1CC[C@H]([C@@]2(CSC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587450992 FF Annotated Anodyne C=CN1CC[C@H]([C@]2(CSC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587450993 FF Annotated Anodyne C=CN1CC[C@@H]([C@]2(CSC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587450994 FF Annotated Anodyne C=CN1CC[C@@H]([C@@]2(CSC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587450995 FF Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(c4nnc(C)s4)CC1)[C@@H](C2)C3=O ZINC000587451088 FF Annotated Anodyne CCOC(=O)C[C@@]1(c2nccs2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451110 FF Annotated Anodyne CCOC(=O)C[C@]1(c2nccs2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451111 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(N)sc4c1CCN(C)C4)[C@@H](C2)C3=O ZINC000587451929 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(N)sc4c1CCN(C)C4)[C@@H](C2)C3=O ZINC000587451932 FF Annotated Anodyne CCOC(=O)c1csc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587452051 FF Annotated Anodyne CCOC(=O)c1csc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587452052 FF Annotated Anodyne CCOC(=O)C[C@]1(C2CCOCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587452141 FF Annotated Anodyne CCOC(=O)C[C@@]1(C2CCOCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587452152 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCS(=O)(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587452251 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCS(=O)(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587452254 FF Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(Cc4cscn4)CC1)[C@@H](C2)C3=O ZINC000587452422 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCNCC4)s1)[C@@H](C2)C3=O ZINC000587452729 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCNCC4)s1)[C@@H](C2)C3=O ZINC000587452733 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H]1COC(=O)C1)[C@@H](C2)C3=O ZINC000587453619 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1COC(=O)C1)[C@@H](C2)C3=O ZINC000587453622 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1COC(=O)C1)[C@@H](C2)C3=O ZINC000587453624 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H]1COC(=O)C1)[C@@H](C2)C3=O ZINC000587453627 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sc(N4CCOCC4)nc1C)[C@@H](C2)C3=O ZINC000587453728 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1sc(N4CCOCC4)nc1C)[C@@H](C2)C3=O ZINC000587453729 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@H]1Cc4ccccc4C(=O)O1)[C@@H](C2)C3=O ZINC000587453749 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H]1Cc4ccccc4C(=O)O1)[C@@H](C2)C3=O ZINC000587453750 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H]1Cc4ccccc4C(=O)O1)[C@@H](C2)C3=O ZINC000587453751 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H]1Cc4ccccc4C(=O)O1)[C@@H](C2)C3=O ZINC000587453753 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(C(=O)O)=COc4ccccc41)[C@@H](C2)C3=O ZINC000587453987 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(C(=O)O)=COc4ccccc41)[C@@H](C2)C3=O ZINC000587453992 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c4c(c1)OCCO4)[C@@H](C2)C3=O ZINC000587454084 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c4c(c1)OCCO4)[C@@H](C2)C3=O ZINC000587454085 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=COc4cc(C(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587454105 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=COc4cc(C(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587454108 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOc4cc5c(cc41)OCO5)[C@@H](C2)C3=O ZINC000587454221 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCOc4cc5c(cc41)OCO5)[C@@H](C2)C3=O ZINC000587454224 FF Annotated Anodyne CCOC(=O)[C@@H]1CCSCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587454495 FF Annotated Anodyne CCOC(=O)[C@@H]1CCSCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587454496 FF Annotated Anodyne CCOC(=O)[C@H]1CCSCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587454497 FF Annotated Anodyne CCOC(=O)[C@H]1CCSCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587454498 FF Annotated Anodyne CC[C@@]1(C2(C(=O)OC)CCOCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454687 FF Annotated Anodyne CC[C@]1(C2(C(=O)OC)CCOCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454688 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc4ccccc4s1)(C(O)O)[C@@H](C2)C3=O ZINC000587454711 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc4ccccc4s1)(C(O)O)[C@@H](C2)C3=O ZINC000587454712 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4c(cc1OC)OCCO4)[C@@H](C2)C3=O ZINC000587454736 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4c(cc1OC)OCCO4)[C@@H](C2)C3=O ZINC000587454737 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C(=O)O)cc4c1OCOC4)[C@@H](C2)C3=O ZINC000587454835 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C(=O)O)cc4c1OCOC4)[C@@H](C2)C3=O ZINC000587454838 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(C(=O)O)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587454880 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(C(=O)O)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587454881 FF Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)OC(C)(C)C)(C1=COCC1)[C@@H](C2)C3=O ZINC000587454883 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)OC(C)(C)C)(C1=COCC1)[C@@H](C2)C3=O ZINC000587454892 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccoc4CC[C@@H]1CC(=O)O)[C@@H](C2)C3=O ZINC000587454974 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccoc4CC[C@@H]1CC(=O)O)[C@@H](C2)C3=O ZINC000587454978 FF Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccoc4CC[C@H]1CC(=O)O)[C@@H](C2)C3=O ZINC000587454981 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccoc4CC[C@H]1CC(=O)O)[C@@H](C2)C3=O ZINC000587454982 FF Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1OCC1OCCO1)[C@@H](C2)C3=O ZINC000587455477 FF Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1OCC1OCCO1)[C@@H](C2)C3=O ZINC000587455478 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(C(=O)OC)CC2=O ZINC000587455531 FF Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(C(=O)OC)CC2=O ZINC000587455534 FF Annotated Reactive COC[C@@]1(CCCCC2OCCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587457144 FF Annotated Anodyne COC[C@]1(CCCCC2OCCO2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587457145 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=NN(C(C)C)C(=O)[C@H]1Cl)CC2=O ZINC000587459731 FF Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(C=NN(C(C)C)C(=O)[C@@H]1Cl)CC2=O ZINC000587459739 FF Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(C=NN(C(C)C)C(=O)[C@H]1Cl)CC2=O ZINC000587459742 FF Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(C=NN(C(C)C)C(=O)[C@@H]1Cl)CC2=O ZINC000587459747 FF Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)([C@H](Cl)C(=O)C(=O)OCC)CC2=O ZINC000587461093 FF Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cl)C(=O)C(=O)OCC)CC2=O ZINC000587461094 FF Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cl)C(=O)C(=O)OCC)CC2=O ZINC000587461095 FF Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cl)C(=O)C(=O)OCC)CC2=O ZINC000587461096 FF Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(C=NN(CC)C(=O)[C@@H]1Cl)CC2=O ZINC000587461341 FF Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(C=NN(CC)C(=O)[C@H]1Cl)CC2=O ZINC000587461343 FF Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(C=NN(CC)C(=O)[C@@H]1Cl)CC2=O ZINC000587461345 FF Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(C=NN(CC)C(=O)[C@H]1Cl)CC2=O ZINC000587461348 FF Annotated Reactive C=CCN1N=C[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)[C@H](Cl)C1=O ZINC000587461944 FF Annotated Reactive C=CCN1N=C[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)[C@@H](Cl)C1=O ZINC000587461990 FF Annotated Reactive C=CCN1N=C[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)[C@H](Cl)C1=O ZINC000587461993 FF Annotated Reactive C=CCN1N=C[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)[C@@H](Cl)C1=O ZINC000587461995 FF Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(C=NN(CCC)C(=O)[C@H]1Cl)CC2=O ZINC000587462774 FF Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(C=NN(CCC)C(=O)[C@@H]1Cl)CC2=O ZINC000587462775 FF Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(C=NN(CCC)C(=O)[C@H]1Cl)CC2=O ZINC000587462776 FF Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(C=NN(CCC)C(=O)[C@@H]1Cl)CC2=O ZINC000587462777 FF Annotated Reactive CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(C(F)F)CC2=O ZINC000587463987 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(C(F)F)CC2=O ZINC000587463988 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1CN(C)N[C@H]1C(F)(F)F)CC2=O ZINC000587464079 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1CN(C)N[C@H]1C(F)(F)F)CC2=O ZINC000587464080 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1CN(C)N[C@@H]1C(F)(F)F)CC2=O ZINC000587464081 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1CN(C)N[C@@H]1C(F)(F)F)CC2=O ZINC000587464082 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)c(F)c1)(C(O)O)CC2=O ZINC000587465719 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)c(F)c1)(C(O)O)CC2=O ZINC000587465726 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(N(C)C)cc1)(C(O)O)CC2=O ZINC000587467533 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(N(C)C)cc1)(C(O)O)CC2=O ZINC000587467536 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCC(N)=O)CC2=O ZINC000587467628 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCC(N)=O)CC2=O ZINC000587467632 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)CCO)nc1)CC2=O ZINC000587468058 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)CCO)nc1)CC2=O ZINC000587468059 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(/C(C#N)=C\N(C)C)CC2=O ZINC000587468861 FF Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(/C(C#N)=C/N(C)C)CC2=O ZINC000587468868 FF Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(/C(C#N)=C\N(C)C)CC2=O ZINC000587468871 FF Annotated Reactive CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(/C(C#N)=C/N(C)C)CC2=O ZINC000587468873 FF Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCC(N)=O)c1)CC2=O ZINC000587469068 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OCC(N)=O)c1)CC2=O ZINC000587469069 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1nccn1C)CC2=O ZINC000587469292 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1nccn1C)CC2=O ZINC000587469294 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCn1cnc([N+](=O)[O-])n1)CC2=O ZINC000587469853 FF Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(CCn1cnc([N+](=O)[O-])n1)CC2=O ZINC000587469854 FF Annotated Bother CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cncn1C)CC2=O ZINC000587469875 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cncn1C)CC2=O ZINC000587469876 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ncccn1)CC2=O ZINC000587470032 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ncccn1)CC2=O ZINC000587470033 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)N=c1cc(C)o[nH]1)CC2=O ZINC000587470461 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N=c1cc(C)o[nH]1)CC2=O ZINC000587470462 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(N)=O)c(O)nc1C)CC2=O ZINC000587470861 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(N)=O)c(O)nc1C)CC2=O ZINC000587470870 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(N)=O)cc1)CC2=O ZINC000587470904 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(N)=O)cc1)CC2=O ZINC000587470906 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CNC)(c1ccc(O)c(O)c1)CC2=O ZINC000587470907 FF Annotated Clean CCCc1c(O)ccc2c1O[C@](CNC)(c1ccc(O)c(O)c1)CC2=O ZINC000587470915 FF Annotated Clean CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1nccn1C)CC2=O ZINC000587471438 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1nccn1C)CC2=O ZINC000587471439 FF Annotated Anodyne CCCc1c(O)ccc2c1OC(c1nccn1C)(c1nccn1C)CC2=O ZINC000587472124 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(COC(CN3CCCC3)=CC1=O)CC2=O ZINC000587473659 FF Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(COC(CN3CCCC3)=CC1=O)CC2=O ZINC000587473660 FF Annotated Mild CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1c(C)nn(C)c1C)CC2=O ZINC000587474672 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1c(C)nn(C)c1C)CC2=O ZINC000587474673 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cnn(C)c1)CC2=O ZINC000587474785 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cnn(C)c1)CC2=O ZINC000587474786 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cnn(CC)c1)CC2=O ZINC000587475012 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cnn(CC)c1)CC2=O ZINC000587475013 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CN1C(=O)c3ccccc3C1=O)CC2=O ZINC000587475189 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CN1C(=O)c3ccccc3C1=O)CC2=O ZINC000587475191 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cn1cc(C(=O)OCC)nn1)CC2=O ZINC000587475199 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cn1cc(C(=O)OCC)nn1)CC2=O ZINC000587475200 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C(C)(C)CN1CCN(C)CC1)CC2=O ZINC000587475217 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C(C)(C)CN1CCN(C)CC1)CC2=O ZINC000587475226 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3c(c(C(=O)O)nn3C)C1)CC2=O ZINC000587475627 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3c(c(C(=O)O)nn3C)C1)CC2=O ZINC000587475633 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(CCC(=O)OC)c1)CC2=O ZINC000587475666 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(CCC(=O)OC)c1)CC2=O ZINC000587475668 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C)nc1C(=O)OCC)CC2=O ZINC000587475679 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C)nc1C(=O)OCC)CC2=O ZINC000587475682 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1cnn(C)c1)CC2=O ZINC000587475744 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1cnn(C)c1)CC2=O ZINC000587475745 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C)OC=C1OCC(=O)O)CC2=O ZINC000587475799 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(C)OC=C1OCC(=O)O)CC2=O ZINC000587475800 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(CCOC(C)=O)c1)CC2=O ZINC000587476234 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(CCOC(C)=O)c1)CC2=O ZINC000587476235 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(CN3CCCC3)OCC1=O)CC2=O ZINC000587476518 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(CN3CCCC3)OCC1=O)CC2=O ZINC000587476520 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(CC)C[C@@H]1C(=O)OC)CC2=O ZINC000587476606 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(CC)C[C@H]1C(=O)OC)CC2=O ZINC000587476607 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(CC)C[C@@H]1C(=O)OC)CC2=O ZINC000587476608 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(CC)C[C@H]1C(=O)OC)CC2=O ZINC000587476610 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(C1CC1)CC2=O ZINC000587476670 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(C1CC1)CC2=O ZINC000587476673 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccn(C)n1)CC2=O ZINC000587476828 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccn(C)n1)CC2=O ZINC000587476830 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnn(CC(=O)OCC)c1)CC2=O ZINC000587476852 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnn(CC(=O)OCC)c1)CC2=O ZINC000587476855 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)OCC)([C@@H](C)O)CC2=O ZINC000587477533 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)OCC)([C@H](C)O)CC2=O ZINC000587477554 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)OCC)([C@@H](C)O)CC2=O ZINC000587477555 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)OCC)([C@H](C)O)CC2=O ZINC000587477556 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C(=O)OCC)CC2=O ZINC000587477693 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C(=O)OCC)CC2=O ZINC000587477704 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1cnn(C)c1)CC2=O ZINC000587477770 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1cnn(C)c1)CC2=O ZINC000587477772 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(N3CCOCC3)nc1)CC2=O ZINC000587477993 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(N3CCOCC3)nc1)CC2=O ZINC000587477998 FF Annotated Anodyne CCCc1c(O)ccc2c1OC(CCC(=O)O)(CCC(=O)O)CC2=O ZINC000587478668 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cnn(C)c1)CC2=O ZINC000587479104 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cnn(C)c1)CC2=O ZINC000587479105 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1C(=O)C(=O)OCC)CC2=O ZINC000587479431 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1C(=O)C(=O)OCC)CC2=O ZINC000587479434 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1C(=O)C(=O)OCC)CC2=O ZINC000587479436 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1C(=O)C(=O)OCC)CC2=O ZINC000587479439 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C)N(CCOC)C(=O)C1)CC2=O ZINC000587479827 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(C)N(CCOC)C(=O)C1)CC2=O ZINC000587479831 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN[C@H](C(=O)O)[C@H]3C1)CC2=O ZINC000587479882 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN[C@H](C(=O)O)[C@@H]3C1)CC2=O ZINC000587479897 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN[C@@H](C(=O)O)[C@@H]3C1)CC2=O ZINC000587479901 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN[C@@H](C(=O)O)[C@H]3C1)CC2=O ZINC000587479903 FF Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C2(C)CN3CCN(C2)CC1(C)C3 ZINC000587480572 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C)C[C@@H]1C(=O)OCC)CC2=O ZINC000587480781 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C)C[C@H]1C(=O)OCC)CC2=O ZINC000587480784 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C)C[C@@H]1C(=O)OCC)CC2=O ZINC000587480789 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C)C[C@H]1C(=O)OCC)CC2=O ZINC000587480793 FF Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(CCC(=O)OC)CC1)CC2=O ZINC000587481119 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN2[C@@H]3C[C@H](O)C[C@H]2C[C@@H]1C3 ZINC000587481574 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN2[C@@H]3C[C@H](O)C[C@H]2C[C@@H]1C3 ZINC000587481580 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnc3ncnn3c1C)CC2=O ZINC000587481785 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3ncnn3c1C)CC2=O ZINC000587481787 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C)N(CCC(=O)O)C(=O)C1)CC2=O ZINC000587481880 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(C)N(CCC(=O)O)C(=O)C1)CC2=O ZINC000587481893 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(C)N([C@@H](C)C(=O)O)C(=O)C1)CC2=O ZINC000587482089 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(C)N([C@H](C)C(=O)O)C(=O)C1)CC2=O ZINC000587482097 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C)N([C@H](C)C(=O)O)C(=O)C1)CC2=O ZINC000587482099 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C)N([C@@H](C)C(=O)O)C(=O)C1)CC2=O ZINC000587482102 FF Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2COC[C@H]1CC(C(=O)O)C2 ZINC000587482302 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(O)[nH]c1C(=O)OCC)CC2=O ZINC000587482507 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(O)[nH]c1C(=O)OCC)CC2=O ZINC000587482540 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(C(=O)O)cc21 ZINC000587482777 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCCNS(=O)(=O)C1CC1)CC2=O ZINC000587482780 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](CCCNS(=O)(=O)C1CC1)CC2=O ZINC000587482783 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(C(=O)O)cc21 ZINC000587482786 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C2CN3CCN(C2)CC1(CC)C3 ZINC000587482797 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C2CN3CCN(C2)CC1(CC)C3 ZINC000587482800 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3CN[C@H](C(=O)O)[C@@H]31)CC2=O ZINC000587482833 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3CN[C@@H](C(=O)O)[C@H]31)CC2=O ZINC000587482834 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3CN[C@H](C(=O)O)[C@H]31)CC2=O ZINC000587482835 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3CN[C@@H](C(=O)O)[C@@H]31)CC2=O ZINC000587482836 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(C(=O)O)ccc21 ZINC000587482868 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(C(=O)O)ccc21 ZINC000587482870 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(C(O)O)CC2=O ZINC000587482960 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(C(O)O)CC2=O ZINC000587482964 FF Annotated Anodyne C=C1C=C(C)N2NC([C@@H]3CC(=O)c4ccc(O)c(CCC)c4O3)=NC2=N1 ZINC000587483389 FF Annotated Anodyne C=C1C=C(C)N2NC([C@H]3CC(=O)c4ccc(O)c(CCC)c4O3)=NC2=N1 ZINC000587483396 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C1C(=O)OC(C)(C)OC1=O)CC2=O ZINC000587484354 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C1C(=O)OC(C)(C)OC1=O)CC2=O ZINC000587484368 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1NC(=O)c3ccccc3N1)CC2=O ZINC000587484917 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H]1NC(=O)c3ccccc3N1)CC2=O ZINC000587484929 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H]1NC(=O)c3ccccc3N1)CC2=O ZINC000587484930 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1NC(=O)c3ccccc3N1)CC2=O ZINC000587484933 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(C(=O)O)cccc21 ZINC000587484991 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(C(=O)O)cccc21 ZINC000587484993 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1)(C(O)O)CC2=O ZINC000587485064 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1)(C(O)O)CC2=O ZINC000587485065 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(c1nc[nH]n1)CC2=O ZINC000587485290 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccnc1)(c1nc[nH]n1)CC2=O ZINC000587485295 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@@H](C(=O)O)NC[C@@H]3C1)CC2=O ZINC000587485758 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3[C@@H](CN[C@@H]3C(=O)O)C1)CC2=O ZINC000587485761 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3[C@@H](CN[C@H]3C(=O)O)C1)CC2=O ZINC000587485764 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3[C@H](CN[C@H]3C(=O)O)C1)CC2=O ZINC000587485766 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCn3nc(C(=O)O)cc31)CC2=O ZINC000587485930 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCn3nc(C(=O)O)cc31)CC2=O ZINC000587485933 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CS(=O)(=O)N(C)C)(C(C)C)CC2=O ZINC000587486075 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CS(=O)(=O)N(C)C)(C(C)C)CC2=O ZINC000587486088 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(C(C)(OC)OC)CC2=O ZINC000587487392 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(C(C)(OC)OC)CC2=O ZINC000587487411 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(S(C)(=O)=O)nc1)CC2=O ZINC000587488177 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(C)(=O)=O)nc1)CC2=O ZINC000587488182 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc3c(n1)NC(=O)CO3)CC2=O ZINC000587488265 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(n1)NC(=O)CO3)CC2=O ZINC000587488270 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cnc3nncn3c1C)CC2=O ZINC000587488292 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3nncn3c1C)CC2=O ZINC000587488296 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]3[C@H]1CN[C@H]3C(=O)O)CC2=O ZINC000587488435 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3[C@@H](C(=O)O)NC[C@H]31)CC2=O ZINC000587488436 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3[C@H](C(=O)O)NC[C@@H]31)CC2=O ZINC000587488437 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]3[C@@H](C(=O)O)NC[C@@H]31)CC2=O ZINC000587488439 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C1CCS(=O)(=O)CC1)CC2=O ZINC000587489100 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C1CCS(=O)(=O)CC1)CC2=O ZINC000587489102 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CS(=O)(=O)Oc2ccccc21 ZINC000587489194 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CS(=O)(=O)Oc2ccccc21 ZINC000587489197 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](C(=O)O)[C@H](C(=O)O)C1)CC2=O ZINC000587489413 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)O)[C@H](C(=O)O)C1)CC2=O ZINC000587489416 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CO)c2ccccc21 ZINC000587489934 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CO)c2ccccc21 ZINC000587489935 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cnccn1)CC2=O ZINC000587490011 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cnccn1)CC2=O ZINC000587490016 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cnccn1)([C@@H](C)C(=O)OC)CC2=O ZINC000587490066 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cnccn1)([C@H](C)C(=O)OC)CC2=O ZINC000587490067 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cnccn1)([C@H](C)C(=O)OC)CC2=O ZINC000587490070 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cnccn1)([C@@H](C)C(=O)OC)CC2=O ZINC000587490073 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2[C@H]3C[C@@H]4[C@@H]2[C@]2(C(=O)O)[C@@H]1[C@H]3[C@@H]42 ZINC000587490837 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@]2(C(=O)O)[C@@H]1[C@H]3[C@@H]42 ZINC000587490838 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2[C@H]3C[C@@H]4[C@H]2[C@]2(C(=O)O)[C@@H]1[C@H]3[C@@H]42 ZINC000587490839 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2[C@H]3C[C@@H]4[C@@H]2[C@@]2(C(=O)O)[C@@H]1[C@H]3[C@@H]42 ZINC000587490842 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccc(O)c(O)c1)(C(=O)O)CC2=O ZINC000587491419 FF Annotated Clean CCCc1c(O)ccc2c1O[C@@](Cc1ccc(O)c(O)c1)(C(=O)O)CC2=O ZINC000587491420 FF Annotated Clean CCCc1c(O)ccc2c1OC1(CCC(O)(CC(=O)OC)CC1)CC2=O ZINC000587492811 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccccc1C(=O)O)CC2=O ZINC000587492884 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccccc1C(=O)O)CC2=O ZINC000587492887 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1cnccn1)CC2=O ZINC000587493056 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1cnccn1)CC2=O ZINC000587493059 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](C)CS[C@H]1C(=O)OC ZINC000587493739 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](C(=O)OC)SC[C@@H]1C ZINC000587493742 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](C)CS[C@H]1C(=O)OC ZINC000587493743 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](C)CS[C@@H]1C(=O)OC ZINC000587493744 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CS(=O)(=O)c2ccccc21 ZINC000587493944 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CS(=O)(=O)c2ccccc21 ZINC000587493945 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CO)(c1ccc3c(c1)OCCO3)CC2=O ZINC000587494078 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CO)(c1ccc3c(c1)OCCO3)CC2=O ZINC000587494081 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCSC[C@@H]1C(=O)OC)CC2=O ZINC000587494408 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCSC[C@@H]1C(=O)OC)CC2=O ZINC000587494412 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCSC[C@H]1C(=O)OC)CC2=O ZINC000587494414 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCSC[C@H]1C(=O)OC)CC2=O ZINC000587494416 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)CS(=O)(=O)C1 ZINC000587494436 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)CS(=O)(=O)C1 ZINC000587494440 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CSC[C@@H]1C(=O)OCC)CC2=O ZINC000587496152 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CSC[C@@H]1C(=O)OCC)CC2=O ZINC000587496153 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CSC[C@H]1C(=O)OCC)CC2=O ZINC000587496156 FF Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CSC[C@H]1C(=O)OCC)CC2=O ZINC000587496159 FF Annotated Anodyne COC(=O)C(=O)[C@@H](Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499063 FF Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499066 FF Annotated Reactive COC(=O)C(=O)[C@@H](Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499067 FF Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499068 FF Annotated Reactive C=CCN1N=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](Cl)C1=O ZINC000587499246 FF Annotated Reactive C=CCN1N=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](Cl)C1=O ZINC000587499250 FF Annotated Reactive C=CCN1N=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](Cl)C1=O ZINC000587499253 FF Annotated Reactive C=CCN1N=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](Cl)C1=O ZINC000587499258 FF Annotated Reactive COC(=O)[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500638 FF Annotated Reactive COC(=O)[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500643 FF Annotated Reactive CN1C[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C(F)(F)F)N1 ZINC000587502302 FF Annotated Anodyne CN1C[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C(F)(F)F)N1 ZINC000587502326 FF Annotated Anodyne CN1C[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C(F)(F)F)N1 ZINC000587502331 FF Annotated Anodyne CN1C[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C(F)(F)F)N1 ZINC000587502336 FF Annotated Anodyne CN(CC(=O)O)c1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587505457 FF Annotated Anodyne CN(CC(=O)O)c1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587505468 FF Annotated Anodyne NC(=O)C[C@]1(C(=O)O)CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587508911 FF Annotated Anodyne NC(=O)C[C@@]1(C(=O)O)CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587508912 FF Annotated Anodyne NC(=O)C[C@@]1(C(=O)O)CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587508913 FF Annotated Anodyne NC(=O)C[C@]1(C(=O)O)CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587508914 FF Annotated Anodyne Cc1nc(O)c(C(N)=O)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509679 FF Annotated Anodyne Cc1nc(O)c(C(N)=O)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509683 FF Annotated Anodyne O=C(O)CNc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587510468 FF Annotated Anodyne O=C(O)CNc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 ZINC000587510471 FF Annotated Anodyne Cn1ccnc1C1(c2nccn2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510632 FF Annotated Anodyne O=C1C[C@](c2ccc([N+](=O)[O-])cc2)(C(O)O)Oc2c1ccc1c2CCCC1 ZINC000587511547 FF Annotated Bother O=C1C[C@@](c2ccc([N+](=O)[O-])cc2)(C(O)O)Oc2c1ccc1c2CCCC1 ZINC000587511549 FF Annotated Bother CCOC(=O)CCCC(=O)NC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511608 FF Annotated Anodyne CCOC(=O)CCCC(=O)NC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511612 FF Annotated Anodyne O=C1C[C@@]2(C=C(CN3CCCC3)OCC2=O)Oc2c1ccc1c2CCCC1 ZINC000587512506 FF Annotated Anodyne O=C1C[C@]2(C=C(CN3CCCC3)OCC2=O)Oc2c1ccc1c2CCCC1 ZINC000587512508 FF Annotated Anodyne CC(=O)N[C@@H](O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512654 FF Annotated Anodyne CC(=O)N[C@H](O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512657 FF Annotated Anodyne CC(=O)N[C@@H](O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512659 FF Annotated Anodyne CC(=O)N[C@H](O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512662 FF Annotated Anodyne COC(=O)C[C@]1(c2cnccn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513039 FF Annotated Anodyne COC(=O)C[C@@]1(c2cnccn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513040 FF Annotated Anodyne CCOC(=O)[C@@]1(/C(C#N)=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513433 FF Annotated Reactive CCOC(=O)[C@]1(/C(C#N)=C\N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513434 FF Annotated Reactive CCOC(=O)[C@@]1(/C(C#N)=C\N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513435 FF Annotated Reactive CCOC(=O)[C@]1(/C(C#N)=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513438 FF Annotated Reactive COC(=O)CCN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587513605 FF Annotated Anodyne CCOC(=O)[C@@]1(c2nccn2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513903 FF Annotated Anodyne CCOC(=O)[C@]1(c2nccn2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513905 FF Annotated Anodyne CN(C)c1ccc([C@@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514327 FF Annotated Anodyne CN(C)c1ccc([C@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514337 FF Annotated Anodyne C[C@@]1(CCn2cnc([N+](=O)[O-])n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514464 FF Annotated Bother C[C@]1(CCn2cnc([N+](=O)[O-])n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514465 FF Annotated Bother CCN1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C(=O)OC)C1 ZINC000587514483 FF Annotated Anodyne CCN1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C(=O)OC)C1 ZINC000587514484 FF Annotated Anodyne CCN1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C(=O)OC)C1 ZINC000587514485 FF Annotated Anodyne CCN1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C(=O)OC)C1 ZINC000587514486 FF Annotated Anodyne O=C1C[C@]2(COC(CN3CCCC3)=CC2=O)Oc2c1ccc1c2CCCC1 ZINC000587514767 FF Annotated Mild O=C1C[C@@]2(COC(CN3CCCC3)=CC2=O)Oc2c1ccc1c2CCCC1 ZINC000587514768 FF Annotated Mild Cn1nc(C(=O)O)c2c1CC[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587516273 FF Annotated Anodyne Cn1nc(C(=O)O)c2c1CC[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587516276 FF Annotated Anodyne CCOC(=O)Cn1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nn1 ZINC000587516629 FF Annotated Anodyne CCOC(=O)Cn1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nn1 ZINC000587516634 FF Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516952 FF Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516953 FF Annotated Anodyne CCOC(=O)c1cn(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nn1 ZINC000587517644 FF Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nn1 ZINC000587517645 FF Annotated Anodyne CC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1CCC(=O)O ZINC000587517702 FF Annotated Anodyne CC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1CCC(=O)O ZINC000587517703 FF Annotated Anodyne COC(=O)C[C@]1(c2cnn(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517730 FF Annotated Anodyne COC(=O)C[C@@]1(c2cnn(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517731 FF Annotated Anodyne CCOC(=O)[C@@]1(c2cnn(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517745 FF Annotated Anodyne CCOC(=O)[C@]1(c2cnn(C)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517746 FF Annotated Anodyne CC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1[C@H](C)C(=O)O ZINC000587517863 FF Annotated Anodyne CC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1[C@H](C)C(=O)O ZINC000587517864 FF Annotated Anodyne CC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1[C@@H](C)C(=O)O ZINC000587517865 FF Annotated Anodyne CC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1[C@@H](C)C(=O)O ZINC000587517866 FF Annotated Anodyne CCOC(=O)[C@H]1CN(C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517899 FF Annotated Anodyne CCOC(=O)[C@@H]1CN(C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517900 FF Annotated Anodyne CCOC(=O)[C@H]1CN(C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517901 FF Annotated Anodyne CCOC(=O)[C@@H]1CN(C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517902 FF Annotated Anodyne CCOC(=O)C1=CN(C)C(=O)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587518245 FF Annotated Anodyne CCOC(=O)C1=CN(C)C(=O)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587518246 FF Annotated Anodyne O=C1C[C@@H](c2cnc(N3CCOCC3)nc2)Oc2c1ccc1c2CCCC1 ZINC000587518302 FF Annotated Anodyne O=C1C[C@H](c2cnc(N3CCOCC3)nc2)Oc2c1ccc1c2CCCC1 ZINC000587518303 FF Annotated Anodyne O=C1COc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc2N1 ZINC000587520385 FF Annotated Anodyne O=C1COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc2N1 ZINC000587520386 FF Annotated Anodyne COC(=O)C[C@]1(C(C)(OC)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520412 FF Annotated Anodyne COC(=O)C[C@@]1(C(C)(OC)OC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520413 FF Annotated Anodyne CCOC(=O)C[C@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520920 FF Annotated Anodyne CCOC(=O)C[C@@]1(C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520932 FF Annotated Anodyne COc1cccc([C@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587521153 FF Annotated Anodyne COc1cccc([C@@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587521163 FF Annotated Anodyne COC(=O)C[C@H](C(=O)OC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521323 FF Annotated Anodyne COC(=O)C[C@@H](C(=O)OC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521354 FF Annotated Anodyne COC(=O)C[C@H](C(=O)OC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521358 FF Annotated Anodyne COC(=O)C[C@@H](C(=O)OC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521360 FF Annotated Anodyne CCC12CN3CCN(CC(C3)[C@]13CC(=O)c1ccc4c(c1O3)CCCC4)C2 ZINC000587521613 FF Annotated Anodyne CCC12CN3CCN(CC(C3)[C@@]13CC(=O)c1ccc4c(c1O3)CCCC4)C2 ZINC000587521617 FF Annotated Anodyne O=C1C[C@]2(CC[C@@H]3CN[C@@H](C(=O)O)[C@@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587522016 FF Annotated Anodyne O=C1C[C@]2(CC[C@@H]3CN[C@H](C(=O)O)[C@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587522024 FF Annotated Anodyne O=C1C[C@]2(CC[C@@H]3CN[C@H](C(=O)O)[C@@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587522026 FF Annotated Anodyne O=C1C[C@]2(CC[C@@H]3CN[C@@H](C(=O)O)[C@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587522028 FF Annotated Anodyne COc1ccc([C@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522041 FF Annotated Anodyne COc1ccc([C@@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587522043 FF Annotated Anodyne O=C1C[C@]2(CCC[C@@H]3CN[C@@H](C(=O)O)[C@H]32)Oc2c1ccc1c2CCCC1 ZINC000587524709 FF Annotated Anodyne O=C1C[C@]2(CCC[C@@H]3CN[C@H](C(=O)O)[C@H]32)Oc2c1ccc1c2CCCC1 ZINC000587524711 FF Annotated Anodyne O=C1C[C@]2(CCC[C@@H]3CN[C@@H](C(=O)O)[C@@H]32)Oc2c1ccc1c2CCCC1 ZINC000587524714 FF Annotated Anodyne O=C1C[C@]2(CCC[C@@H]3CN[C@H](C(=O)O)[C@@H]32)Oc2c1ccc1c2CCCC1 ZINC000587524716 FF Annotated Anodyne O=C1C[C@]2(CCC[C@@H]3[C@@H](C(=O)O)NC[C@@H]32)Oc2c1ccc1c2CCCC1 ZINC000587524909 FF Annotated Anodyne O=C1C[C@]2(CCC[C@H]3[C@H]2CN[C@H]3C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587524911 FF Annotated Anodyne O=C1C[C@]2(CCC[C@@H]3[C@H](C(=O)O)NC[C@@H]32)Oc2c1ccc1c2CCCC1 ZINC000587524914 FF Annotated Anodyne O=C1C[C@]2(CCC[C@@H]3[C@@H](C(=O)O)NC[C@H]32)Oc2c1ccc1c2CCCC1 ZINC000587524915 FF Annotated Anodyne O=C(O)C1=C2CCCN2C(=O)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525559 FF Annotated Anodyne O=C(O)C1=C2CCCN2C(=O)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587525561 FF Annotated Anodyne O=C1C[C@]2(CC[C@@H]3[C@@H](CN[C@H]3C(=O)O)C2)Oc2c1ccc1c2CCCC1 ZINC000587526082 FF Annotated Anodyne O=C1C[C@]2(CC[C@@H]3[C@@H](CN[C@@H]3C(=O)O)C2)Oc2c1ccc1c2CCCC1 ZINC000587526084 FF Annotated Anodyne O=C1C[C@]2(CC[C@H]3[C@@H](C(=O)O)NC[C@@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587526088 FF Annotated Anodyne O=C1C[C@]2(CC[C@@H]3[C@H](CN[C@H]3C(=O)O)C2)Oc2c1ccc1c2CCCC1 ZINC000587526091 FF Annotated Anodyne O=C1C[C@@]2(CN3[C@@H]4C[C@H](O)C[C@H]3C[C@@H]2C4)Oc2c1ccc1c2CCCC1 ZINC000587526321 FF Annotated Anodyne O=C1C[C@]2(CN3[C@@H]4C[C@H](O)C[C@H]3C[C@@H]2C4)Oc2c1ccc1c2CCCC1 ZINC000587526333 FF Annotated Anodyne CC12CN3CCN(C1)CC(C)(C3)C21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526498 FF Annotated Anodyne COC(=O)[C@H]1N2CCC(CC2)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587527166 FF Annotated Anodyne COC(=O)[C@@H]1N2CCC(CC2)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587527177 FF Annotated Anodyne COC(=O)[C@@H]1N2CCC(CC2)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587527181 FF Annotated Anodyne COC(=O)[C@H]1N2CCC(CC2)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587527184 FF Annotated Anodyne COC(=O)[C@H]1CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H]1C(=O)OC ZINC000587527646 FF Annotated Anodyne COC(=O)[C@@H]1CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C(=O)OC ZINC000587527647 FF Annotated Anodyne COC(=O)[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C(=O)OC ZINC000587527648 FF Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C(=O)OC ZINC000587527649 FF Annotated Anodyne CCOC(=O)c1[nH]c(O)nc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527827 FF Annotated Anodyne CCOC(=O)c1[nH]c(O)nc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527852 FF Annotated Anodyne NS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587530048 FF Annotated Anodyne NS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587530054 FF Annotated Anodyne CC(C)[C@@]1(CS(=O)(=O)N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530138 FF Annotated Anodyne CC(C)[C@]1(CS(=O)(=O)N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530150 FF Annotated Anodyne CS(=O)(=O)C[C@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530825 FF Annotated Anodyne CS(=O)(=O)C[C@@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530826 FF Annotated Anodyne NS(=O)(=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587530844 FF Annotated Anodyne NS(=O)(=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587530846 FF Annotated Anodyne O=C1C[C@]2(C[C@H]3C[C@H]2[C@H](C(=O)O)[C@H]3C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587530877 FF Annotated Anodyne O=C1C[C@]2(C[C@H]3C[C@H]2[C@@H](C(=O)O)[C@H]3C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587530878 FF Annotated Anodyne O=C1C[C@]2(C[C@H]3C[C@H]2[C@@H](C(=O)O)[C@@H]3C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587530879 FF Annotated Anodyne O=C1C[C@]2(C[C@H]3C[C@H]2[C@H](C(=O)O)[C@@H]3C(=O)O)Oc2c1ccc1c2CCCC1 ZINC000587530880 FF Annotated Anodyne O=C1C[C@@]2(CC[C@H](C(=O)O)[C@H](C(=O)O)C2)Oc2c1ccc1c2CCCC1 ZINC000587530964 FF Annotated Anodyne O=C1C[C@]2(CC[C@H](C(=O)O)[C@H](C(=O)O)C2)Oc2c1ccc1c2CCCC1 ZINC000587530965 FF Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532151 FF Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532152 FF Annotated Anodyne O=C1C(=O)[C@H](O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587532284 FF Annotated Clean O=C1C(=O)[C@@H](O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587532285 FF Annotated Clean O=C1C(=O)[C@H](O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587532286 FF Annotated Clean O=C1C(=O)[C@@H](O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587532287 FF Annotated Clean O=C1C[C@H](CCCNS(=O)(=O)C2CC2)Oc2c1ccc1c2CCCC1 ZINC000587533734 FF Annotated Anodyne O=C1C[C@@H](CCCNS(=O)(=O)C2CC2)Oc2c1ccc1c2CCCC1 ZINC000587533747 FF Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](O)C(=O)c1ccccc12 ZINC000587533973 FF Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](O)C(=O)c1ccccc12 ZINC000587533974 FF Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](O)C(=O)c1ccccc12 ZINC000587533975 FF Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](O)C(=O)c1ccccc12 ZINC000587533976 FF Annotated Anodyne CCOC(=O)[C@@]1(c2csc(=N)[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536673 FF Annotated Anodyne CCOC(=O)[C@]1(c2csc(=N)[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536680 FF Annotated Anodyne CC1(C)OC(=O)C([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)O1 ZINC000587536852 FF Annotated Anodyne CC1(C)OC(=O)C([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)O1 ZINC000587536853 FF Annotated Anodyne COC(=O)C[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541295 FF Annotated Reactive COC(=O)C[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541296 FF Annotated Reactive COC(=O)C[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541297 FF Annotated Reactive COC(=O)C[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541298 FF Annotated Reactive CCOC(=O)[C@H](Cl)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541880 FF Annotated Reactive CCOC(=O)[C@H](Cl)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541882 FF Annotated Reactive CCOC(=O)[C@H](Cl)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541883 FF Annotated Reactive CCOC(=O)[C@H](Cl)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541885 FF Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cnc(O)[nH]1 ZINC000587543142 FF Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cnc(O)[nH]1 ZINC000587543143 FF Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cnc(O)[nH]1 ZINC000587543144 FF Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cnc(O)[nH]1 ZINC000587543145 FF Annotated Reactive Cn1ncc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587543150 FF Annotated Reactive Cn1ncc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587543151 FF Annotated Reactive Cn1ncc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587543152 FF Annotated Reactive Cn1ncc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587543153 FF Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cnon1 ZINC000587544091 FF Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cnon1 ZINC000587544113 FF Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cnon1 ZINC000587544115 FF Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cnon1 ZINC000587544117 FF Annotated Reactive Cn1nncc1[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544128 FF Annotated Reactive Cn1nncc1[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544130 FF Annotated Reactive Cn1nncc1[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544132 FF Annotated Reactive Cn1nncc1[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544134 FF Annotated Reactive COC(=O)[C@H](Cl)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544542 FF Annotated Reactive COC(=O)[C@H](Cl)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544543 FF Annotated Reactive COC(=O)[C@H](Cl)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544544 FF Annotated Reactive COC(=O)[C@H](Cl)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544545 FF Annotated Reactive CC(=O)OC[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544619 FF Annotated Reactive CC(=O)OC[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544621 FF Annotated Reactive CC(=O)OC[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544623 FF Annotated Reactive CC(=O)OC[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544625 FF Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12COC(CCl)=CC2=O ZINC000587545220 FF Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12COC(CCl)=CC2=O ZINC000587545235 FF Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12COC(CCl)=CC2=O ZINC000587545237 FF Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12COC(CCl)=CC2=O ZINC000587545240 FF Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(CCl)OCC2=O ZINC000587546999 FF Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(CCl)OCC2=O ZINC000587547000 FF Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(CCl)OCC2=O ZINC000587547001 FF Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(CCl)OCC2=O ZINC000587547003 FF Annotated Reactive N=c1[nH]cnc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550792 FF Annotated Anodyne N=c1[nH]cnc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550811 FF Annotated Anodyne N=c1[nH]cnc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550813 FF Annotated Anodyne N=c1[nH]cnc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550815 FF Annotated Anodyne Cn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)[nH]c1=N ZINC000587552305 FF Annotated Anodyne Cn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)[nH]c1=N ZINC000587552306 FF Annotated Anodyne Cn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)[nH]c1=N ZINC000587552307 FF Annotated Anodyne Cn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)[nH]c1=N ZINC000587552308 FF Annotated Anodyne Cc1c(-c2ccc3c(O)nc(O)nc3n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000587553378 FF Annotated Bother Cc1[nH]c2c(C)cccc2c(=O)c1CCc1ccc2c(O)nc(O)nc2n1 ZINC000587553627 FF Annotated Anodyne COC(=O)c1ccc(OC(C)C)c(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587553856 FF Annotated Anodyne C[C@]1([C@]2(F)CCOC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554478 FF Annotated Anodyne C[C@]1([C@]2(F)CCOC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554486 FF Annotated Anodyne C[C@]1([C@@]2(F)CCOC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587554487 FF Annotated Anodyne C[C@]1([C@@]2(F)CCOC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587554488 FF Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2cnc3nc(O)nc(O)c3c2)CC1 ZINC000587555137 FF Annotated Anodyne CC(C)(C)OC(=O)NC[C@H]1CCCCc2cc3c(O)nc(O)nc3nc21 ZINC000587555190 FF Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H]1CCCCc2cc3c(O)nc(O)nc3nc21 ZINC000587555195 FF Annotated Anodyne Cc1cc(C(=O)Nc2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)no1 ZINC000587556204 FF Annotated Anodyne CCc1cc2c(O)nc(O)nc2nc1C1(c2ccccc2)CCNCC1 ZINC000587556732 FF Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1Cc1c(C)[nH]c2c(C)cccc2c1=O ZINC000587556818 FF Annotated Anodyne COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1CN1CCCC1 ZINC000587557026 FF Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc3c(O)nc(O)nc3nc1C2 ZINC000587557028 FF Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CCc3nc4nc(O)nc(O)c4cc3C2)C1 ZINC000587557261 FF Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CCc3nc4nc(O)nc(O)c4cc3C2)C1 ZINC000587557262 FF Annotated Anodyne CCc1cccc2c(-c3ccc4c(O)nc(O)nc4n3)cn(CC(=O)O)c12 ZINC000587557297 FF Annotated Anodyne C[C@@H]1CCCN(c2ccc(N)c(-c3ccc4c(O)nc(O)nc4n3)c2)C1 ZINC000587557466 FF Annotated Anodyne C[C@H]1CCCN(c2ccc(N)c(-c3ccc4c(O)nc(O)nc4n3)c2)C1 ZINC000587557471 FF Annotated Anodyne Cc1c(-c2ccc3c(O)nc(O)nc3n2)nnn1-c1cccc2ncccc12 ZINC000587557554 FF Annotated Anodyne O=C(O)CCn1cc(-c2ccc3c(O)nc(O)nc3n2)c2ccccc21 ZINC000587557636 FF Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@]12CCc1nc3nc(O)nc(O)c3cc1C2 ZINC000587557867 FF Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]12CCc1nc3nc(O)nc(O)c3cc1C2 ZINC000587557870 FF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)CC[C@@]1(CCCN1Cc1ccccc1)C3 ZINC000587557913 FF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)CC[C@]1(CCCN1Cc1ccccc1)C3 ZINC000587557918 FF Annotated Anodyne O=C(c1ccccc1)N1CC[C@H]2c3cc4c(O)nc(O)nc4nc3C=C[C@@H]2C1 ZINC000587557960 FF Annotated Anodyne CC1CCN(c2ccc(N)c(-c3ccc4c(O)nc(O)nc4n3)c2)CC1 ZINC000587558015 FF Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(CCc3cc4c(O)nc(O)nc4nc3C2)C1 ZINC000587558241 FF Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(CCc3cc4c(O)nc(O)nc4nc3C2)C1 ZINC000587558242 FF Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCc2cc3c(O)nc(O)nc3nc21 ZINC000587558358 FF Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCc2cc3c(O)nc(O)nc3nc21 ZINC000587558359 FF Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCc2cc3c(O)nc(O)nc3nc21 ZINC000587558360 FF Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCc2cc3c(O)nc(O)nc3nc21 ZINC000587558361 FF Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(C)cc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587558680 FF Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C)cc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587558687 FF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)[C@@H]1CN(Cc2ccccc2)C[C@@H]1CCC3 ZINC000587558857 FF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)[C@@H]1CN(Cc2ccccc2)C[C@H]1CCC3 ZINC000587558858 FF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)[C@H]1CN(Cc2ccccc2)C[C@@H]1CCC3 ZINC000587558861 FF Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)[C@H]1CN(Cc2ccccc2)C[C@H]1CCC3 ZINC000587558865 FF Annotated Anodyne COCCOCCCc1ccccc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587559059 FF Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CCc3cc4c(O)nc(O)nc4nc32)CC1 ZINC000587559293 FF Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H](c2ccccc2)Cc2cc3c(O)nc(O)nc3nc21 ZINC000587559702 FF Annotated Anodyne CCOC(=O)[C@H]1C[C@@H](c2ccccc2)Cc2cc3c(O)nc(O)nc3nc21 ZINC000587559703 FF Annotated Anodyne CCOC(=O)[C@H]1C[C@H](c2ccccc2)Cc2cc3c(O)nc(O)nc3nc21 ZINC000587559704 FF Annotated Anodyne CCOC(=O)[C@@H]1C[C@H](c2ccccc2)Cc2cc3c(O)nc(O)nc3nc21 ZINC000587559705 FF Annotated Anodyne CCOC(=O)[C@@H](Cc1cccc(C)c1)c1ccc2c(O)nc(O)nc2n1 ZINC000587559783 FF Annotated Anodyne CCOC(=O)[C@H](Cc1cccc(C)c1)c1ccc2c(O)nc(O)nc2n1 ZINC000587559784 FF Annotated Anodyne CCOC(=O)[C@@H](Cc1ccccc1C)c1ccc2c(O)nc(O)nc2n1 ZINC000587559793 FF Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1C)c1ccc2c(O)nc(O)nc2n1 ZINC000587559884 FF Annotated Anodyne COc1ccc(-c2nc3nc(O)nc(O)c3cc2CCCCC(=O)O)cc1 ZINC000587559993 FF Annotated Anodyne O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc2c(c1)CCCC2 ZINC000587560139 FF Annotated Anodyne CC(C)Cc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)cc1 ZINC000587560148 FF Annotated Anodyne CC(C)c1ccc([C@]2(O)CCc3nc4nc(O)nc(O)c4cc3C2)cc1 ZINC000587561507 FF Annotated Anodyne CC(C)c1ccc([C@@]2(O)CCc3nc4nc(O)nc(O)c4cc3C2)cc1 ZINC000587561508 FF Annotated Anodyne O=C(O)CC[C@]1(c2ccccc2)CCCc2cc3c(O)nc(O)nc3nc21 ZINC000587561532 FF Annotated Anodyne O=C(O)CC[C@@]1(c2ccccc2)CCCc2cc3c(O)nc(O)nc3nc21 ZINC000587561533 FF Annotated Anodyne CN(C)C(=O)Sc1ccc2c(c1)CCc1cc3c(O)nc(O)nc3nc1-2 ZINC000587562524 FF Annotated Anodyne O=C(O)COCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587562635 FF Annotated Anodyne O=S(=O)(c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)C1CCCC1 ZINC000587562712 FF Annotated Anodyne COCC(=O)Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587562793 FF Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(COCC(=O)O)[nH]c3c2)cc1 ZINC000587562847 FF Annotated Anodyne COCC(=O)Cc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587562915 FF Annotated Anodyne COCC(=O)Cc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587562932 FF Annotated Anodyne Cc1c(C(=O)O)sc2ncc(-c3ccc4c(O)nc(O)nc4n3)cc12 ZINC000587562956 FF Annotated Anodyne O=C(O)COCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587563106 FF Annotated Anodyne COCC(=O)Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587563142 FF Annotated Anodyne N=c1[nH]c2c(s1)-c1nc3nc(O)nc(O)c3cc1[C@@H](c1ccccc1)C2 ZINC000587563151 FF Annotated Anodyne N=c1[nH]c2c(s1)-c1nc3nc(O)nc(O)c3cc1[C@H](c1ccccc1)C2 ZINC000587563152 FF Annotated Anodyne O=C(O)COCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587563181 FF Annotated Anodyne CC(C)COc1cc2nc(COCC(=O)O)[nH]c2cc1Br ZINC000587563186 FF Annotated Anodyne O=C(O)COCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587563189 FF Annotated Anodyne O=C(O)COCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587563193 FF Annotated Anodyne O=C(O)COCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587563289 FF Annotated Anodyne O=C(O)COCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587563302 FF Annotated Anodyne COC(=O)c1sc2ncc(-c3ccc4c(O)nc(O)nc4n3)cc2c1C ZINC000587563351 FF Annotated Anodyne O=S(=O)(Cl)c1ccc(Cl)c(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587563398 FF Annotated Unstable O=C(O)COCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587563536 FF Annotated Anodyne COCC(=O)Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587563579 FF Annotated Anodyne O=C(O)CCc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)s1 ZINC000587563581 FF Annotated Anodyne COC(=O)c1cc2nc(COCC(=O)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587563691 FF Annotated Anodyne O=S(=O)(Cl)c1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1Cl ZINC000587563736 FF Annotated Unstable C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CCc4ccc5c(O)nc(O)nc5n4)[C@@H]3C[C@H]12 ZINC000587563747 FF Annotated Mild CCc1cc2c(O)nc(O)nc2nc1-c1cc2cccc(OC)c2oc1=O ZINC000587563754 FF Annotated Anodyne O=C(O)COCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587563821 FF Annotated Anodyne COCC(=O)Cc1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000587563837 FF Annotated Anodyne O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1csc2ccccc12 ZINC000587563857 FF Annotated Anodyne COCC(=O)Cc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587563874 FF Annotated Anodyne Cc1ccc(S(=O)(=O)[C@H]2CCCc3cc4c(O)nc(O)nc4nc32)cc1 ZINC000587564141 FF Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2CCCc3cc4c(O)nc(O)nc4nc32)cc1 ZINC000587564144 FF Annotated Anodyne CC(C)COc1cccc(OCc2nc3ccc(C(=O)NN)cc3[nH]2)c1 ZINC000587566003 FF Annotated Reactive CCOC(=O)CCOCCCOCCc1nc2ccc(F)c(C)c2[nH]1 ZINC000587566204 FF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccnc(Cl)c2[nH]1 ZINC000587566273 FF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(C)cc(F)c2[nH]1 ZINC000587566276 FF Annotated Anodyne O=Cc1ccc(OCCc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 ZINC000587566308 FF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(Cl)ncc2[nH]1 ZINC000587566314 FF Annotated Anodyne COC(=O)c1ccc2nc(CCOc3ccc(C=O)cc3)[nH]c2c1OC ZINC000587566328 FF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587566350 FF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c(Cl)ccnc2[nH]1 ZINC000587566360 FF Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CCOCc3ccccc3)[nH]c12 ZINC000587566417 FF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587566424 FF Annotated Anodyne O=Cc1ccc(OCCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000587566462 FF Annotated Bother CCOC(=O)CCOCCCOCCc1nc2cc(F)cc(F)c2[nH]1 ZINC000587566492 FF Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CCOCc3ccccc3)[nH]c2c1 ZINC000587566523 FF Annotated Anodyne COC(=O)c1cc2[nH]c(CCOc3ccc(C=O)cc3)nc2cc1OC ZINC000587566544 FF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cncc(Cl)c2[nH]1 ZINC000587566554 FF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccc(Cl)nc2[nH]1 ZINC000587566597 FF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(C)c(F)cc2[nH]1 ZINC000587566945 FF Annotated Anodyne CCN=c1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587567918 FF Annotated Anodyne CCN=c1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587567919 FF Annotated Anodyne CCN=c1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587567921 FF Annotated Anodyne CCN=c1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587567923 FF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(F)c(F)cc2[nH]1 ZINC000587568019 FF Annotated Anodyne CN(C)/C=C1\C(=O)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587568326 FF Annotated Mild CN(C)/C=C1/C(=O)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587568329 FF Annotated Mild CN(C)/C=C1/C(=O)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587568331 FF Annotated Mild CN(C)/C=C1\C(=O)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587568333 FF Annotated Mild O=C(NC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CCC1 ZINC000587568350 FF Annotated Anodyne O=C(NC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CCC1 ZINC000587568353 FF Annotated Anodyne O=C(NC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CCC1 ZINC000587568355 FF Annotated Anodyne O=C(NC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CCC1 ZINC000587568357 FF Annotated Anodyne CN(C)c1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587568747 FF Annotated Anodyne CN(C)c1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587568748 FF Annotated Anodyne CN(C)c1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587568749 FF Annotated Anodyne CN(C)c1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587568750 FF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccc(F)c(F)c2[nH]1 ZINC000587568857 FF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(OC)c(F)cc2[nH]1 ZINC000587569251 FF Annotated Anodyne CC(=O)N(C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(C)=O ZINC000587570424 FF Annotated Anodyne CC(=O)N(C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(C)=O ZINC000587570425 FF Annotated Anodyne CC(=O)N(C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(C)=O ZINC000587570428 FF Annotated Anodyne CC(=O)N(C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(C)=O ZINC000587570431 FF Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587570764 FF Annotated Anodyne CC[C@]1([C@H](N=O)C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570888 FF Annotated Anodyne CC[C@]1([C@@H](N=O)C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570889 FF Annotated Anodyne CC[C@]1([C@@H](N=O)C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570890 FF Annotated Anodyne CC[C@]1([C@H](N=O)C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570891 FF Annotated Anodyne CCOC(=O)[C@H](N=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573270 FF Annotated Anodyne CCOC(=O)[C@H](N=O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573272 FF Annotated Anodyne CCOC(=O)[C@H](N=O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573273 FF Annotated Anodyne CCOC(=O)[C@H](N=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573275 FF Annotated Anodyne CN(C)c1nccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587574786 FF Annotated Anodyne CN(C)c1nccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587574788 FF Annotated Anodyne CN(C)c1nccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587574790 FF Annotated Anodyne CN(C)c1nccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587574791 FF Annotated Anodyne Cn1nc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575540 FF Annotated Bother Cn1nc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575541 FF Annotated Bother Cn1nc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575542 FF Annotated Bother Cn1nc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575543 FF Annotated Bother COCCn1ccnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575825 FF Annotated Anodyne COCCn1ccnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575830 FF Annotated Anodyne COCCn1ccnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575831 FF Annotated Anodyne COCCn1ccnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575832 FF Annotated Anodyne NC(=O)C1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587576102 FF Annotated Anodyne NC(=O)C1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587576104 FF Annotated Anodyne Cn1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587576173 FF Annotated Bother Cn1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587576175 FF Annotated Bother Cn1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587576177 FF Annotated Bother Cn1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587576178 FF Annotated Bother Cn1ccnc1[C@@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576850 FF Annotated Mild Cn1ccnc1[C@]1(CC#N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576851 FF Annotated Mild Cn1ccnc1[C@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576852 FF Annotated Mild Cn1ccnc1[C@@]1(CC#N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576853 FF Annotated Mild O=C(O)Cn1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577735 FF Annotated Anodyne O=C(O)Cn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577737 FF Annotated Anodyne O=C(O)Cn1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577739 FF Annotated Anodyne O=C(O)Cn1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577740 FF Annotated Anodyne Cc1nc(=N)[nH]cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577917 FF Annotated Anodyne Cc1nc(=N)[nH]cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577918 FF Annotated Anodyne Cc1nc(=N)[nH]cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577919 FF Annotated Anodyne Cc1nc(=N)[nH]cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577920 FF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cn1cncn1)C1CC1 ZINC000587578914 FF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cn1cncn1)C1CC1 ZINC000587578923 FF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cn1cncn1)C1CC1 ZINC000587578924 FF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cn1cncn1)C1CC1 ZINC000587578926 FF Annotated Anodyne Cn1cccc1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578945 FF Annotated Anodyne Cn1cccc1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578947 FF Annotated Anodyne Cn1cccc1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578948 FF Annotated Anodyne Cn1cccc1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578949 FF Annotated Anodyne Cc1nn(CCO)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579564 FF Annotated Anodyne Cc1nn(CCO)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579566 FF Annotated Anodyne Cc1nn(CCO)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579567 FF Annotated Anodyne Cc1nn(CCO)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579569 FF Annotated Anodyne C[C@@H]1N(C)C=CC(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579882 FF Annotated Mild C[C@@H]1N(C)C=CC(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579883 FF Annotated Mild C[C@@H]1N(C)C=CC(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579884 FF Annotated Mild C[C@@H]1N(C)C=CC(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579885 FF Annotated Mild CCN1CC[C@]2(CC1=O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579890 FF Annotated Anodyne CCN1CC[C@@]2(CC1=O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579892 FF Annotated Anodyne CCN1CC[C@@]2(CC1=O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579893 FF Annotated Anodyne CCN1CC[C@]2(CC1=O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579895 FF Annotated Anodyne C[C@@H]1C(=O)[C@]2(C=CN1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580262 FF Annotated Anodyne C[C@@H]1C(=O)[C@]2(C=CN1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580263 FF Annotated Anodyne C[C@@H]1C(=O)[C@@]2(C=CN1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580264 FF Annotated Anodyne C[C@@H]1C(=O)[C@@]2(C=CN1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580265 FF Annotated Anodyne CC1=CC(=O)[C@@]2(CN1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580348 FF Annotated Mild CC1=CC(=O)[C@]2(CN1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587580352 FF Annotated Mild CC1=CC(=O)[C@]2(CN1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580354 FF Annotated Mild CC1=CC(=O)[C@@]2(CN1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580355 FF Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc[nH]c1[N+](=O)[O-] ZINC000587580754 FF Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc[nH]c1[N+](=O)[O-] ZINC000587580790 FF Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc[nH]c1[N+](=O)[O-] ZINC000587580792 FF Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc[nH]c1[N+](=O)[O-] ZINC000587580793 FF Annotated Bother N#CCN1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581020 FF Annotated Mild N#CCN1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581025 FF Annotated Mild COCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587581226 FF Annotated Anodyne COCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587581227 FF Annotated Anodyne COCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587581228 FF Annotated Anodyne COCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587581229 FF Annotated Anodyne CC[C@@]1(Cn2cncn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581474 FF Annotated Anodyne CC[C@@]1(Cn2cncn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581475 FF Annotated Anodyne CC[C@]1(Cn2cncn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581476 FF Annotated Anodyne CC[C@]1(Cn2cncn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581477 FF Annotated Anodyne CC[C@]1(c2ncnn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582038 FF Annotated Anodyne CC[C@@]1(c2ncnn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582039 FF Annotated Anodyne CC[C@@]1(c2ncnn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582040 FF Annotated Anodyne CC[C@]1(c2ncnn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582041 FF Annotated Anodyne CCOC(=O)N1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582138 FF Annotated Anodyne CCOC(=O)N1CC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582139 FF Annotated Anodyne CCOC(=O)N1CC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582140 FF Annotated Anodyne CCOC(=O)N1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582141 FF Annotated Anodyne CC1=C[C@]2(CC(=O)N1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582158 FF Annotated Anodyne CC1=C[C@@]2(CC(=O)N1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582159 FF Annotated Anodyne CC1=C[C@@]2(CC(=O)N1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582160 FF Annotated Anodyne CC1=C[C@]2(CC(=O)N1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582161 FF Annotated Anodyne COCCN1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587582452 FF Annotated Anodyne COCCN1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587582453 FF Annotated Anodyne CC1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)CN1C ZINC000587582464 FF Annotated Anodyne CC1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)CN1C ZINC000587582465 FF Annotated Anodyne CC1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)CN1C ZINC000587582466 FF Annotated Anodyne CC1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)CN1C ZINC000587582467 FF Annotated Anodyne Cn1ncc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1N ZINC000587582592 FF Annotated Anodyne Cn1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1N ZINC000587582593 FF Annotated Anodyne Cn1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1N ZINC000587582594 FF Annotated Anodyne Cn1ncc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1N ZINC000587582595 FF Annotated Anodyne C[C@@]1(CCn2cncn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582756 FF Annotated Anodyne C[C@@]1(CCn2cncn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582757 FF Annotated Anodyne C[C@]1(CCn2cncn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582758 FF Annotated Anodyne C[C@]1(CCn2cncn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582759 FF Annotated Anodyne COC[C@]1(c2ccnn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582836 FF Annotated Anodyne COC[C@@]1(c2ccnn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582837 FF Annotated Anodyne COC[C@@]1(c2ccnn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582838 FF Annotated Anodyne COC[C@]1(c2ccnn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582839 FF Annotated Anodyne C[C@H](n1cncn1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583164 FF Annotated Anodyne C[C@H](n1cncn1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583165 FF Annotated Anodyne C[C@H](n1cncn1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583166 FF Annotated Anodyne C[C@H](n1cncn1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583167 FF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(C1CC1)C(=O)C2 ZINC000587583280 FF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCN(C1CC1)C(=O)C2 ZINC000587583281 FF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(C1CC1)C(=O)C2 ZINC000587583282 FF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCN(C1CC1)C(=O)C2 ZINC000587583283 FF Annotated Anodyne CN(C)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587583302 FF Annotated Anodyne CN(C)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583303 FF Annotated Anodyne Cn1ncnc1[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584308 FF Annotated Anodyne Cn1ncnc1[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584310 FF Annotated Anodyne Cn1ncnc1[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584312 FF Annotated Anodyne Cn1ncnc1[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584313 FF Annotated Anodyne Cc1nn(C)c(N)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584314 FF Annotated Anodyne Cc1nn(C)c(N)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584315 FF Annotated Anodyne Cc1nn(C)c(N)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584316 FF Annotated Anodyne Cc1nn(C)c(N)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584317 FF Annotated Anodyne CC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584383 FF Annotated Anodyne CC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584384 FF Annotated Anodyne COC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584421 FF Annotated Anodyne COC(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584422 FF Annotated Anodyne Cc1nc(O)nc(O)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584744 FF Annotated Anodyne Cc1nc(O)nc(O)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584747 FF Annotated Anodyne Cc1nc(O)nc(O)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584748 FF Annotated Anodyne Cc1nc(O)nc(O)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584750 FF Annotated Anodyne C[C@]1(CCN2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584821 FF Annotated Anodyne C[C@@]1(CCN2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584825 FF Annotated Anodyne C[C@@]1(CCN2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584827 FF Annotated Anodyne C[C@]1(CCN2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584830 FF Annotated Anodyne C[C@]1(c2cnc(C#N)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585101 FF Annotated Mild C[C@@]1(c2cnc(C#N)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585102 FF Annotated Mild C[C@@]1(c2cnc(C#N)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585104 FF Annotated Mild C[C@]1(c2cnc(C#N)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585106 FF Annotated Mild COc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587585248 FF Annotated Anodyne COc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587585251 FF Annotated Anodyne COc1ccnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587585252 FF Annotated Anodyne COc1ccnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587585254 FF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1cccnc1 ZINC000587585473 FF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1cccnc1 ZINC000587585475 FF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1cccnc1 ZINC000587585478 FF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1cccnc1 ZINC000587585479 FF Annotated Anodyne O=C1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccn2N1 ZINC000587585853 FF Annotated Anodyne O=C1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccn2N1 ZINC000587585854 FF Annotated Anodyne O=C1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccn2N1 ZINC000587585855 FF Annotated Anodyne O=C1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccn2N1 ZINC000587585856 FF Annotated Anodyne COc1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 ZINC000587585947 FF Annotated Anodyne COc1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 ZINC000587585948 FF Annotated Anodyne COc1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1 ZINC000587585949 FF Annotated Anodyne COc1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1 ZINC000587585950 FF Annotated Anodyne COc1nccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587586681 FF Annotated Anodyne COc1nccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587586682 FF Annotated Anodyne COc1nccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587586683 FF Annotated Anodyne COc1nccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587586684 FF Annotated Anodyne COC(=O)c1n[nH]cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587728 FF Annotated Anodyne COC(=O)c1n[nH]cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587731 FF Annotated Anodyne COC(=O)c1n[nH]cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587733 FF Annotated Anodyne COC(=O)c1n[nH]cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587735 FF Annotated Anodyne C[C@@]1(c2cc(C(=O)O)no2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588088 FF Annotated Anodyne C[C@]1(c2cc(C(=O)O)no2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588090 FF Annotated Anodyne C[C@]1(c2cc(C(=O)O)no2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588093 FF Annotated Anodyne C[C@@]1(c2cc(C(=O)O)no2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588095 FF Annotated Anodyne COc1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587588208 FF Annotated Anodyne COc1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587588209 FF Annotated Anodyne COc1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587588210 FF Annotated Anodyne COc1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587588211 FF Annotated Anodyne O=C(O)c1n[nH]cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588523 FF Annotated Anodyne O=C(O)c1n[nH]cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588527 FF Annotated Anodyne O=C(O)c1n[nH]cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588528 FF Annotated Anodyne O=C(O)c1n[nH]cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588529 FF Annotated Anodyne COc1c[nH]c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1=O ZINC000587588992 FF Annotated Anodyne COc1c[nH]c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1=O ZINC000587588995 FF Annotated Anodyne COc1c[nH]c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1=O ZINC000587588996 FF Annotated Anodyne COc1c[nH]c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1=O ZINC000587588998 FF Annotated Anodyne C[C@@]1(c2cc(CO)on2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589267 FF Annotated Anodyne C[C@@]1(c2cc(CO)on2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589268 FF Annotated Anodyne C[C@]1(c2cc(CO)on2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589269 FF Annotated Anodyne C[C@]1(c2cc(CO)on2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589270 FF Annotated Anodyne C[C@]1(c2ccc3nnnn3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589499 FF Annotated Anodyne C[C@@]1(c2ccc3nnnn3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589500 FF Annotated Anodyne C[C@@]1(c2ccc3nnnn3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589501 FF Annotated Anodyne C[C@]1(c2ccc3nnnn3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589502 FF Annotated Anodyne CN1[C@H]2COC[C@H]1CC1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589645 FF Annotated Anodyne CN1[C@H]2COC[C@H]1CC1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589646 FF Annotated Anodyne COc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587589895 FF Annotated Anodyne COc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587589896 FF Annotated Anodyne COc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587589897 FF Annotated Anodyne COc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587589898 FF Annotated Anodyne C[C@@]1(c2ccc(O)nn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590419 FF Annotated Anodyne C[C@@]1(c2ccc(O)nn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590420 FF Annotated Anodyne C[C@]1(c2ccc(O)nn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590421 FF Annotated Anodyne C[C@]1(c2ccc(O)nn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590422 FF Annotated Anodyne C[C@@]1(/C=C/N2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592050 FF Annotated Anodyne C[C@]1(/C=C/N2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592051 FF Annotated Anodyne C[C@@]1(/C=C/N2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592052 FF Annotated Anodyne C[C@]1(/C=C/N2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592053 FF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ncccc12 ZINC000587592861 FF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ncccc12 ZINC000587592862 FF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ncccc12 ZINC000587592863 FF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ncccc12 ZINC000587592864 FF Annotated Anodyne CCOC[C@@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592996 FF Annotated Anodyne CCOC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593001 FF Annotated Anodyne CCOC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593002 FF Annotated Anodyne CCOC[C@@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593004 FF Annotated Anodyne O=C1C[C@@H]2C[C@]3(C[C@H]2CN1)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587593231 FF Annotated Anodyne O=C1C[C@@H]2C[C@]3(C[C@@H]2CN1)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587593233 FF Annotated Anodyne O=C1C[C@@H]2C[C@]3(C[C@H]2CN1)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587593236 FF Annotated Anodyne O=C1C[C@@H]2C[C@]3(C[C@@H]2CN1)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587593238 FF Annotated Anodyne COCC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593911 FF Annotated Anodyne COCC[C@@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593912 FF Annotated Anodyne COCC[C@@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593914 FF Annotated Anodyne COCC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593916 FF Annotated Anodyne COC(=O)[C@]1(/C=C(\C)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594923 FF Annotated Anodyne COC(=O)[C@]1(/C=C(\C)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594926 FF Annotated Anodyne COC(=O)[C@@]1(/C=C(\C)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594928 FF Annotated Anodyne COC(=O)[C@@]1(/C=C(\C)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594929 FF Annotated Anodyne CC[C@]1(C(=O)OC(C)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595439 FF Annotated Reactive CC[C@@]1(C(=O)OC(C)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595440 FF Annotated Reactive CC[C@@]1(C(=O)OC(C)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595441 FF Annotated Reactive CC[C@]1(C(=O)OC(C)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595442 FF Annotated Reactive CCOC(=O)C[C@]1(COC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595819 FF Annotated Anodyne CCOC(=O)C[C@@]1(COC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595820 FF Annotated Anodyne CCOC(=O)C[C@@]1(COC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595822 FF Annotated Anodyne CCOC(=O)C[C@]1(COC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595824 FF Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595941 FF Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595942 FF Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595943 FF Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595944 FF Annotated Anodyne CC1(C)C[C@]2(CC(=O)N1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596261 FF Annotated Anodyne CC1(C)C[C@@]2(CC(=O)N1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596262 FF Annotated Anodyne CC1(C)C[C@@]2(CC(=O)N1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596263 FF Annotated Anodyne CC1(C)C[C@]2(CC(=O)N1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596264 FF Annotated Anodyne C[C@@]1(c2cc(C(=O)O)[nH]n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596269 FF Annotated Anodyne C[C@]1(c2cc(C(=O)O)[nH]n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596270 FF Annotated Anodyne C[C@]1(c2cc(C(=O)O)[nH]n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596271 FF Annotated Anodyne C[C@@]1(c2cc(C(=O)O)[nH]n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596272 FF Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596408 FF Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596409 FF Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596411 FF Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596413 FF Annotated Anodyne CC(C)([C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N1CCOCC1 ZINC000587596982 FF Annotated Anodyne CC(C)([C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N1CCOCC1 ZINC000587596983 FF Annotated Anodyne CC(C)([C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N1CCOCC1 ZINC000587596984 FF Annotated Anodyne CC(C)([C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N1CCOCC1 ZINC000587596985 FF Annotated Anodyne C[C@]1([C@H]2CCCNC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597854 FF Annotated Anodyne C[C@]1([C@@H]2CCCNC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597857 FF Annotated Anodyne C[C@]1([C@@H]2CCCNC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597860 FF Annotated Anodyne C[C@]1([C@H]2CCCNC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597863 FF Annotated Anodyne CN1[C@@H]2COC[C@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598139 FF Annotated Anodyne CN1[C@@H]2COC[C@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598142 FF Annotated Anodyne CN1[C@@H]2COC[C@H]1C[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598145 FF Annotated Anodyne CN1[C@@H]2COC[C@H]1C[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598148 FF Annotated Anodyne CC[C@@H]1CNC(=O)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587598459 FF Annotated Anodyne CC[C@@H]1CNC(=O)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587598462 FF Annotated Anodyne CC[C@@H]1CNC(=O)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587598465 FF Annotated Anodyne CC[C@@H]1CNC(=O)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587598469 FF Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H]1OC ZINC000587599519 FF Annotated Anodyne CCO[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H]1OC ZINC000587599520 FF Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H]1OC ZINC000587599521 FF Annotated Anodyne CCO[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H]1OC ZINC000587599522 FF Annotated Anodyne COCCOC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599731 FF Annotated Anodyne COCCOC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599732 FF Annotated Anodyne COCCOC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599733 FF Annotated Anodyne COCCOC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599734 FF Annotated Anodyne O=C(O)[C@@H]1[C@@H]2[C@@H]3C[C@H]1[C@@]1(Oc4ccccc4C(=O)[C@@H]1C(=O)c1ccco1)[C@@H]32 ZINC000587602914 FF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@H]1[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]31 ZINC000587602919 FF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@H]1[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]31 ZINC000587602922 FF Annotated Anodyne O=C(O)[C@@H]1[C@@H]2[C@@H]3C[C@H]1[C@]1(Oc4ccccc4C(=O)[C@@H]1C(=O)c1ccco1)[C@@H]32 ZINC000587602926 FF Annotated Anodyne CCS(=O)(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606001 FF Annotated Anodyne CCS(=O)(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606002 FF Annotated Anodyne CCS(=O)(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606003 FF Annotated Anodyne CCS(=O)(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606004 FF Annotated Anodyne COC1(OC)CCOC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587606478 FF Annotated Anodyne COC1(OC)CCOC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587606479 FF Annotated Anodyne COC1(OC)CCOC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587606480 FF Annotated Anodyne COC1(OC)CCOC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587606481 FF Annotated Anodyne CS(=O)(=O)[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587608168 FF Annotated Anodyne CS(=O)(=O)[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587608169 FF Annotated Anodyne CS(=O)(=O)[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587608170 FF Annotated Anodyne CS(=O)(=O)[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587608171 FF Annotated Anodyne CS(=O)(=O)C[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609430 FF Annotated Anodyne CS(=O)(=O)C[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609432 FF Annotated Anodyne CS(=O)(=O)C[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609433 FF Annotated Anodyne CS(=O)(=O)C[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609435 FF Annotated Anodyne COC1([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCOCC1 ZINC000587609578 FF Annotated Anodyne COC1([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCOCC1 ZINC000587609579 FF Annotated Anodyne COC1([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCOCC1 ZINC000587609580 FF Annotated Anodyne COC1([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCOCC1 ZINC000587609581 FF Annotated Anodyne CC(C)([C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)S(C)(=O)=O ZINC000587611008 FF Annotated Anodyne CC(C)([C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)S(C)(=O)=O ZINC000587611010 FF Annotated Anodyne CC(C)([C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)S(C)(=O)=O ZINC000587611011 FF Annotated Anodyne CC(C)([C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)S(C)(=O)=O ZINC000587611012 FF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1COC1CCOCC1 ZINC000587612464 FF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1COC1CCOCC1 ZINC000587612466 FF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1COC1CCOCC1 ZINC000587612468 FF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1COC1CCOCC1 ZINC000587612470 FF Annotated Anodyne O=C(O)[C@@H]1C[C@H]2C=C[C@H]1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612780 FF Annotated Anodyne O=C(O)[C@@H]1C[C@H]2C=C[C@H]1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612781 FF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@@H]1C=C[C@@H]2[C@H](C(=O)O)C1 ZINC000587612782 FF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@@H]1C=C[C@@H]2[C@H](C(=O)O)C1 ZINC000587612783 FF Annotated Anodyne CCOC(=O)C[C@@]1(CS)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612956 FF Annotated Mild CCOC(=O)C[C@@]1(CS)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612959 FF Annotated Mild CCOC(=O)C[C@]1(CS)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612961 FF Annotated Mild CCOC(=O)C[C@]1(CS)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612963 FF Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)nc(S)n1 ZINC000587613047 FF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)nc(S)n1 ZINC000587613069 FF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)nc(S)n1 ZINC000587613166 FF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)nc(S)n1 ZINC000587613167 FF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccco1 ZINC000587614294 FF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccco1 ZINC000587614295 FF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1ccco1 ZINC000587614296 FF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1ccco1 ZINC000587614297 FF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccs1)C(O)O ZINC000587614712 FF Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccs1)C(O)O ZINC000587614713 FF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccs1)C(O)O ZINC000587614714 FF Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccs1)C(O)O ZINC000587614715 FF Annotated Anodyne CO[C@@H]1C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](OC)O1 ZINC000587616809 FF Annotated Anodyne CO[C@@H]1C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](OC)O1 ZINC000587616810 FF Annotated Anodyne CO[C@@H]1C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](OC)O1 ZINC000587616811 FF Annotated Anodyne CO[C@@H]1C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](OC)O1 ZINC000587616812 FF Annotated Anodyne COC(=O)[C@@H]1SCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617206 FF Annotated Anodyne COC(=O)[C@@H]1SCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617208 FF Annotated Anodyne COC(=O)[C@@H]1SCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617209 FF Annotated Anodyne COC(=O)[C@@H]1SCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617212 FF Annotated Anodyne CC[C@@H]1OC=CC(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587618006 FF Annotated Mild CC[C@@H]1OC=CC(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587618010 FF Annotated Mild CC[C@@H]1OC=CC(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587618012 FF Annotated Mild CC[C@@H]1OC=CC(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587618013 FF Annotated Mild CC[C@@H]1OC=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587618283 FF Annotated Anodyne CC[C@@H]1OC=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587618284 FF Annotated Anodyne CC[C@@H]1OC=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587618285 FF Annotated Anodyne CC[C@@H]1OC=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587618286 FF Annotated Anodyne CC1(C)OC(C(=O)O)=C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587618922 FF Annotated Anodyne CC1(C)OC(C(=O)O)=C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587618923 FF Annotated Anodyne CC1(C)OC(C(=O)O)=C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587618924 FF Annotated Anodyne CC1(C)OC(C(=O)O)=C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587618925 FF Annotated Anodyne COC(=O)[C@@H]1CSC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587620293 FF Annotated Anodyne COC(=O)[C@@H]1CSC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587620301 FF Annotated Anodyne COC(=O)[C@@H]1CSC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587620302 FF Annotated Anodyne COC(=O)[C@@H]1CSC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587620305 FF Annotated Anodyne Cc1c(CNC(=O)CCl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621182 FF Annotated Reactive Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1cnc([N+](=O)[O-])n1 ZINC000587622880 FF Annotated Bother COC(=O)c1c(-c2cnn(C)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622902 FF Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CN1CCN(C)CC1 ZINC000587623566 FF Annotated Anodyne Cn1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CC(=O)O)cn1 ZINC000587623593 FF Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)N1CCOCC1 ZINC000587623902 FF Annotated Anodyne COC(=O)c1nnn(-c2c(C)[nH]c3c(C)cc(Cl)cc23)c1C(=O)OC ZINC000587627498 FF Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C[C@H](N)C(N)=O ZINC000587627682 FF Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-n1[nH]nnc1=N ZINC000587628470 FF Annotated Anodyne COC(=O)C(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2c(C(=O)O)cccc12 ZINC000587637299 FF Annotated Bother COC(=O)Cc1[nH]c2c(C(=O)O)cccc2c1CNC(=O)OC(C)(C)C ZINC000587637405 FF Annotated Anodyne CCn1nc(C)c(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(=O)OC)c1C ZINC000587637679 FF Annotated Anodyne COC(=O)c1c(CCNC(=O)OC(C)(C)C)[nH]c2c(C(=O)O)cccc12 ZINC000587637763 FF Annotated Anodyne Cc1nn(C)c(C)c1-c1[nH]c2c(C(=O)O)cccc2c1N1CCOCC1 ZINC000587638462 FF Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1[C@](O)(c1nccn1C)C(F)(F)F ZINC000587638554 FF Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1[C@@](O)(c1nccn1C)C(F)(F)F ZINC000587638558 FF Annotated Anodyne CC(=O)Nc1ccc(O)c(-c2[nH]c3c(C(=O)O)cccc3c2CC(=O)O)c1 ZINC000587638605 FF Annotated Anodyne CCOC(=O)C1CCN(C(=O)c2c(C)[nH]c3c(C(=O)O)cccc23)CC1 ZINC000587638716 FF Annotated Anodyne CCn1nc(C)c(C(=O)c2c(C(=O)OC)[nH]c3c(C(=O)O)cccc23)c1C ZINC000587638899 FF Annotated Anodyne CCn1ncc(-c2[nH]c3c(C(=O)O)cccc3c2N2CCOCC2)c1C ZINC000587638969 FF Annotated Anodyne CCn1cc(-c2[nH]c3c(C(=O)O)cccc3c2N2CCOCC2)c(C)n1 ZINC000587639123 FF Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)NCCNC(=O)CC(C)=O)c2c1 ZINC000587640585 FF Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)NCCNC(=O)CC(C)=O)c2c1 ZINC000587640586 FF Annotated Anodyne Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@](O)(c1nccn1C)C(F)(F)F ZINC000587645372 FF Annotated Bother Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@@](O)(c1nccn1C)C(F)(F)F ZINC000587645373 FF Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@](O)(c1nccn1C)C(F)(F)F ZINC000587645448 FF Annotated Bother Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@@](O)(c1nccn1C)C(F)(F)F ZINC000587645450 FF Annotated Bother COC(=O)Cc1[nH]c2cccc([N+](=O)[O-])c2c1CNC(=O)OC(C)(C)C ZINC000587646499 FF Annotated Bother COC(=O)Cc1[nH]c2cc([N+](=O)[O-])ccc2c1CNC(=O)OC(C)(C)C ZINC000587646540 FF Annotated Bother Cc1nn(C)c(C)c1-c1[nH]c2cccc([N+](=O)[O-])c2c1N1CCOCC1 ZINC000587647053 FF Annotated Bother CCn1nc(C)c(C(=O)c2c(C(=O)OC)[nH]c3cccc([N+](=O)[O-])c23)c1C ZINC000587647065 FF Annotated Bother CCn1nc(C)c(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(=O)OC)c1C ZINC000587647605 FF Annotated Bother Cc1nn(C)cc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1CN1CCOCC1 ZINC000587647691 FF Annotated Bother COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1N1C(=O)c2ccccc2C1=O ZINC000587647842 FF Annotated Bother Cc1nn(C)c(C)c1-c1[nH]c2cc([N+](=O)[O-])ccc2c1N1CCOCC1 ZINC000587647923 FF Annotated Bother Cc1nn(C)cc1-c1[nH]c2cccc([N+](=O)[O-])c2c1CN1CCOCC1 ZINC000587648010 FF Annotated Bother CCn1nc(C)c(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(=O)OC)c1C ZINC000587648046 FF Annotated Bother Cn1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)(F)F)cn1 ZINC000587648709 FF Annotated Anodyne Cn1ccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)n1 ZINC000587648712 FF Annotated Anodyne CCOC(=O)C1CCN(C(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000587648800 FF Annotated Bother Cc1nn(C)cc1-c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)C(F)F ZINC000587648912 FF Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-n1cc(Br)cn1 ZINC000587648944 FF Annotated Anodyne Cn1cc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)cn1 ZINC000587649310 FF Annotated Anodyne Cc1nn(C)cc1C(=O)c1c(C(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587649862 FF Annotated Anodyne Cc1c(C(=O)c2c(C(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)cnn1C ZINC000587649944 FF Annotated Anodyne Cn1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)(F)F)n1 ZINC000587650181 FF Annotated Anodyne CCn1cc(C(=O)c2c(C(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)cn1 ZINC000587650196 FF Annotated Anodyne Cc1c(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)F)cnn1C ZINC000587650279 FF Annotated Anodyne CCn1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)F)cn1 ZINC000587650297 FF Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1ccc2c(c1)OCO2 ZINC000587650426 FF Annotated Anodyne CN(CCc1c(-c2cccnc2)[nH]c2ccc(S(C)(=O)=O)cc12)N=O ZINC000587650678 FF Annotated Anodyne Nc1cnc(-n2ncc3ccc(Cl)cc3c2=O)c(Br)c1 ZINC000587650762 FF Annotated Anodyne C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650823 FF Annotated Anodyne C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650824 FF Annotated Anodyne C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650825 FF Annotated Anodyne C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650826 FF Annotated Anodyne O=C(c1cncc(Br)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587650899 FF Annotated Anodyne O=C(c1ncccc1Br)n1ncc2ccc(Cl)cc2c1=O ZINC000587650914 FF Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(-c3cccc4c3OCCO4)c(C#N)c2c1 ZINC000587651002 FF Annotated Mild C[C@H](Cn1cc(Cl)cn1)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651051 FF Annotated Anodyne C[C@@H](Cn1cc(Cl)cn1)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651052 FF Annotated Anodyne CS(=O)(=O)c1cc(F)ccc1-n1ncc2ccc(Cl)cc2c1=O ZINC000587651091 FF Annotated Anodyne CCCn1cc(Cl)c(C(=O)n2ncc3ccc(Cl)cc3c2=O)n1 ZINC000587651246 FF Annotated Anodyne COC(=O)[C@@H](N=O)c1c(-c2cccnc2)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587651310 FF Annotated Anodyne COC(=O)[C@H](N=O)c1c(-c2cccnc2)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587651311 FF Annotated Anodyne O=C(c1cc(Br)c[nH]1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651384 FF Annotated Anodyne COC(=O)c1cnc(Cl)cc1-n1ncc2ccc(Cl)cc2c1=O ZINC000587651404 FF Annotated Anodyne Cc1[nH]nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c1Br ZINC000587651410 FF Annotated Anodyne O=C(c1ccnc(Br)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651516 FF Annotated Anodyne Cn1cc(Br)cc1C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651596 FF Annotated Anodyne Cc1cc(C(F)F)nn1CC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651676 FF Annotated Anodyne Cc1ccc(NC(=O)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1C ZINC000587651720 FF Annotated Anodyne O=C(CCC(=O)n1ncc2ccc(Cl)cc2c1=O)NCc1ccccc1 ZINC000587652031 FF Annotated Anodyne CCn1nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1C(F)(F)F ZINC000587652049 FF Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652062 FF Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652066 FF Annotated Anodyne C[C@H](Oc1ccc2c(c1)OCO2)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652103 FF Annotated Anodyne C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652104 FF Annotated Anodyne CCn1nc(C(F)(F)F)cc1C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652250 FF Annotated Anodyne O=C(c1cnn(-c2ccccc2)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652291 FF Annotated Anodyne O=C(c1cncn1-c1ccccc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652319 FF Annotated Anodyne Cc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c2c(C)noc2n1 ZINC000587652347 FF Annotated Anodyne O=C(COc1ccccc1[N+](=O)[O-])n1ncc2ccc(Cl)cc2c1=O ZINC000587652361 FF Annotated Bother O=C(c1nc(-c2ccccc2)no1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652376 FF Annotated Anodyne CC(C)(C)OC(=O)NCCCC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652385 FF Annotated Anodyne Cc1cc(C)n(-c2ccc(-n3ncc4ccc(Cl)cc4c3=O)nn2)n1 ZINC000587652399 FF Annotated Anodyne Cc1ccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1[N+](=O)[O-] ZINC000587652427 FF Annotated Bother O=C(COc1cccc([N+](=O)[O-])c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652434 FF Annotated Bother Cc1cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c2c(C)nn(C)c2n1 ZINC000587652435 FF Annotated Anodyne CC(=O)N/C(=C\c1ccccc1)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652484 FF Annotated Anodyne CC(=O)N/C(=C/c1ccccc1)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652485 FF Annotated Anodyne CN(CC(=O)n1ncc2ccc(Cl)cc2c1=O)C(=O)OC(C)(C)C ZINC000587652496 FF Annotated Anodyne O=C(c1nnc(-c2ccccc2)o1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652603 FF Annotated Anodyne CC(C)(C)OC(=O)NCCC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652652 FF Annotated Anodyne CN(C)c1cccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c1 ZINC000587652707 FF Annotated Anodyne COc1ccc(CC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1[N+](=O)[O-] ZINC000587652735 FF Annotated Bother Cn1c(CC(=O)n2ncc3ccc(Cl)cc3c2=O)nc2ccccc21 ZINC000587652769 FF Annotated Anodyne Cc1nn(C)cc1-c1ccnc(-n2ncc3ccc(Cl)cc3c2=O)n1 ZINC000587652862 FF Annotated Anodyne Cc1c(-c2ccnc(-n3ncc4ccc(Cl)cc4c3=O)n2)cnn1C ZINC000587652920 FF Annotated Anodyne O=C(COc1ccc([N+](=O)[O-])cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652944 FF Annotated Bother NNc1nc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2s1 ZINC000587652987 FF Annotated Anodyne O=C(Cc1ccc(O)c([N+](=O)[O-])c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653091 FF Annotated Bother O=C(CNc1cccc([N+](=O)[O-])c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653099 FF Annotated Bother Cc1cc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)ccc1[N+](=O)[O-] ZINC000587653142 FF Annotated Bother Nc1c(C(=O)n2ncc3ccc(Cl)cc3c2=O)cnn1-c1ccccc1 ZINC000587653173 FF Annotated Anodyne NC(=O)c1nc(-c2ccccc2)oc1-n1ncc2ccc(Cl)cc2c1=O ZINC000587653204 FF Annotated Anodyne O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653251 FF Annotated Bother CC(C)(C)n1ncc2c(O)nc(-n3ncc4ccc(Cl)cc4c3=O)nc21 ZINC000587653367 FF Annotated Anodyne Cc1cccc(-n2cnc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c2)n1 ZINC000587653514 FF Annotated Anodyne O=C(c1nn(-c2ccccc2)cc1O)n1ncc2ccc(Cl)cc2c1=O ZINC000587653613 FF Annotated Anodyne O=C(CN=c1[nH]c2ccccc2s1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653926 FF Annotated Anodyne Cc1cc(C)nc(SCC(=O)n2ncc3ccc(Cl)cc3c2=O)n1 ZINC000587654234 FF Annotated Anodyne CC(C)(C)OC(=O)N1CC(C(=O)n2ncc3ccc(Cl)cc3c2=O)C1 ZINC000587654672 FF Annotated Anodyne O=C1C[C@@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)CN1c1ccccc1 ZINC000587654836 FF Annotated Anodyne O=C1C[C@H](C(=O)n2ncc3ccc(Cl)cc3c2=O)CN1c1ccccc1 ZINC000587654837 FF Annotated Anodyne O=C(CSC(=S)N1CCCC1)n1ncc2ccc(Cl)cc2c1=O ZINC000587655132 FF Annotated Anodyne O=C(c1cc(-c2ccncc2)[nH]n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587655196 FF Annotated Anodyne CC(C)NC(=O)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655480 FF Annotated Anodyne O=C(c1ncccn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655629 FF Annotated Anodyne O=C(c1ccncn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655831 FF Annotated Anodyne Cn1nccc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655922 FF Annotated Anodyne CCNCCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655950 FF Annotated Anodyne COCCNC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655967 FF Annotated Anodyne CCOC(=O)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655990 FF Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1CCN1CCOCC1 ZINC000587656165 FF Annotated Anodyne Cc1nnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc1O ZINC000587656291 FF Annotated Anodyne CCOC(=O)CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656473 FF Annotated Anodyne Cn1ccnc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656686 FF Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(O)nc(O)n1 ZINC000587656735 FF Annotated Anodyne O=C(c1cnccn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656784 FF Annotated Anodyne O=C(c1csnn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656963 FF Annotated Anodyne Cn1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587656995 FF Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(O)ncn1 ZINC000587657075 FF Annotated Anodyne O=C(c1cccnn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657135 FF Annotated Anodyne CN(C)CCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657174 FF Annotated Anodyne O=C(Cn1cccn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657270 FF Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccnc(O)n1 ZINC000587657399 FF Annotated Anodyne O=C(c1cc[nH]n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658780 FF Annotated Anodyne O=C(c1cnc[nH]1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658815 FF Annotated Anodyne O=C(Cc1cc[nH]n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658892 FF Annotated Anodyne O=C(c1cn[nH]c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587659195 FF Annotated Anodyne COCCO[C@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659242 FF Annotated Anodyne COCCO[C@@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659243 FF Annotated Anodyne N=c1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc[nH]1 ZINC000587659687 FF Annotated Anodyne N=c1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c[nH]1 ZINC000587659833 FF Annotated Anodyne Nc1cnccc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659857 FF Annotated Anodyne CC1(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)OCCO1 ZINC000587659906 FF Annotated Anodyne Cc1ncncc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659941 FF Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncnc2[nH]cnc12 ZINC000587659972 FF Annotated Anodyne COCCCNC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660338 FF Annotated Anodyne Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nn1C ZINC000587660476 FF Annotated Anodyne Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n(C)n1 ZINC000587660539 FF Annotated Anodyne Cc1c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cnn1C ZINC000587660679 FF Annotated Anodyne C[C@]1(n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CCS(=O)(=O)C1 ZINC000587660854 FF Annotated Anodyne C[C@@]1(n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CCS(=O)(=O)C1 ZINC000587660860 FF Annotated Anodyne O=C(c1ccc(O)nc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660863 FF Annotated Anodyne COC[C@@H](C)NC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660922 FF Annotated Anodyne COC[C@H](C)NC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660923 FF Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)N1CCOCC1 ZINC000587660924 FF Annotated Anodyne Cc1ncc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cn1 ZINC000587661277 FF Annotated Anodyne Cc1cnc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cn1 ZINC000587661323 FF Annotated Anodyne NNC(=O)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587661326 FF Annotated Reactive NNC(=O)c1cccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 ZINC000587661332 FF Annotated Reactive O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc(O)c2c[nH]nc2n1 ZINC000587661375 FF Annotated Anodyne COCCCNC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661380 FF Annotated Anodyne Cc1nn(C)cc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661557 FF Annotated Anodyne COCCNC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661735 FF Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc2nncn2n1 ZINC000587661965 FF Annotated Anodyne Cc1nnc2ccc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nn12 ZINC000587661991 FF Annotated Anodyne O=C(c1csnn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662753 FF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)NO)c(=O)c3ccccc23)c(O)c1 ZINC000587665046 FF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=N)O)c(=O)c3ccccc23)c(O)c1 ZINC000587665466 FF Annotated Anodyne CCN(CC)c1ccc(-c2nn(CCO)c(=O)c3ccccc23)c(O)c1 ZINC000587665594 FF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C[C@H](C)O)c(=O)c3ccccc23)c(O)c1 ZINC000587665995 FF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C[C@@H](C)O)c(=O)c3ccccc23)c(O)c1 ZINC000587665996 FF Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)NC)c(=O)c3ccccc23)c(O)c1 ZINC000587666033 FF Annotated Anodyne CCOc1ccc(-c2nn(CC(=O)O)c(=O)c3ccccc23)cc1OCC ZINC000587669355 FF Annotated Anodyne CCOc1ccc(-c2nn(C(=O)NO)c(=O)c3ccccc23)cc1OCC ZINC000587669958 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cnnn2C)N1 ZINC000587684032 FF Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cnnn2C)N1 ZINC000587684033 FF Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cnnn2C)N1 ZINC000587684034 FF Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cnnn2C)N1 ZINC000587684035 FF Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cnn(C)n2)N1 ZINC000587684490 FF Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cnn(C)n2)N1 ZINC000587684491 FF Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cnn(C)n2)N1 ZINC000587684493 FF Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cnn(C)n2)N1 ZINC000587684494 FF Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cnon2)N1 ZINC000587686130 FF Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cnon2)N1 ZINC000587686135 FF Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cnon2)N1 ZINC000587686138 FF Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cnon2)N1 ZINC000587686139 FF Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cnn(C)n2)N1 ZINC000587686287 FF Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cnn(C)n2)N1 ZINC000587686288 FF Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cnn(C)n2)N1 ZINC000587686344 FF Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cnn(C)n2)N1 ZINC000587686345 FF Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cnon2)N1 ZINC000587686518 FF Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cnon2)N1 ZINC000587686520 FF Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cnon2)N1 ZINC000587686522 FF Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cnon2)N1 ZINC000587686523 FF Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cnnn2C)N1 ZINC000587687013 FF Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cnnn2C)N1 ZINC000587687014 FF Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cnnn2C)N1 ZINC000587687015 FF Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cnnn2C)N1 ZINC000587687016 FF Annotated Reactive COC(=O)[C@H](Cl)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687776 FF Annotated Reactive COC(=O)[C@H](Cl)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687777 FF Annotated Reactive COC(=O)[C@H](Cl)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687778 FF Annotated Reactive COC(=O)[C@H](Cl)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687779 FF Annotated Reactive COC(=O)[C@H](Cl)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690130 FF Annotated Reactive COC(=O)[C@H](Cl)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690131 FF Annotated Reactive COC(=O)[C@H](Cl)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690132 FF Annotated Reactive COC(=O)[C@H](Cl)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690133 FF Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(C(F)(F)F)N1 ZINC000587707256 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(C(F)(F)F)N1 ZINC000587707260 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(C(F)(F)F)N1 ZINC000587707261 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(C(F)(F)F)N1 ZINC000587707263 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(C(F)(F)F)N1 ZINC000587708528 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(C(F)(F)F)N1 ZINC000587708529 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(C(F)(F)F)N1 ZINC000587708530 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(C(F)(F)F)N1 ZINC000587708531 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@]2(F)CCOC2=O)N1 ZINC000587719615 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@]2(F)CCOC2=O)N1 ZINC000587719617 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@]2(F)CCOC2=O)N1 ZINC000587719621 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@]2(F)CCOC2=O)N1 ZINC000587719624 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@]2(F)CCOC2=O)N1 ZINC000587722530 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@]2(F)CCOC2=O)N1 ZINC000587722531 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@]2(F)CCOC2=O)N1 ZINC000587722532 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@]2(F)CCOC2=O)N1 ZINC000587722533 FF Annotated Anodyne CCN=c1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 ZINC000587739346 FF Annotated Anodyne CCN=c1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 ZINC000587739347 FF Annotated Anodyne CCN=c1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 ZINC000587739348 FF Annotated Anodyne CCN=c1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 ZINC000587739349 FF Annotated Anodyne CC(=O)N(C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)C(C)=O ZINC000587740897 FF Annotated Anodyne CC(=O)N(C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)C(C)=O ZINC000587740902 FF Annotated Anodyne CC(=O)N(C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)C(C)=O ZINC000587740903 FF Annotated Anodyne CC(=O)N(C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)C(C)=O ZINC000587740904 FF Annotated Anodyne CCOC(=O)C(=[N+]=[N-])[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742963 FF Annotated Clean CCOC(=O)C(=[N+]=[N-])[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742969 FF Annotated Clean CCOC(=O)C(=[N+]=[N-])[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742971 FF Annotated Clean CCOC(=O)C(=[N+]=[N-])[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742973 FF Annotated Clean Cc1nc(=N)[nH]cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743336 FF Annotated Anodyne Cc1nc(=N)[nH]cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743340 FF Annotated Anodyne Cc1nc(=N)[nH]cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743342 FF Annotated Anodyne Cc1nc(=N)[nH]cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743343 FF Annotated Anodyne COc1ncnc(N)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743369 FF Annotated Anodyne COc1ncnc(N)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743378 FF Annotated Anodyne COc1ncnc(N)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743381 FF Annotated Anodyne COc1ncnc(N)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743384 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc[nH]c(=N)n2)N1 ZINC000587743429 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc[nH]c(=N)n2)N1 ZINC000587743436 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc[nH]c(=N)n2)N1 ZINC000587743438 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc[nH]c(=N)n2)N1 ZINC000587743440 FF Annotated Anodyne Cc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(=N)[nH]1 ZINC000587743637 FF Annotated Anodyne Cc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(=N)[nH]1 ZINC000587743643 FF Annotated Anodyne Cc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(=N)[nH]1 ZINC000587743645 FF Annotated Anodyne Cc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(=N)[nH]1 ZINC000587743647 FF Annotated Anodyne CCOC(=O)C(=[N+]=[N-])[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744081 FF Annotated Clean CCOC(=O)C(=[N+]=[N-])[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744084 FF Annotated Clean CCOC(=O)C(=[N+]=[N-])[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744086 FF Annotated Clean CCOC(=O)C(=[N+]=[N-])[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587744089 FF Annotated Clean CC(=O)N(C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)C(C)=O ZINC000587744395 FF Annotated Anodyne CC(=O)N(C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)C(C)=O ZINC000587744396 FF Annotated Anodyne CC(=O)N(C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)C(C)=O ZINC000587744397 FF Annotated Anodyne CC(=O)N(C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)C(C)=O ZINC000587744398 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(N)=O)CC2)N1 ZINC000587744542 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(N)=O)CC2)N1 ZINC000587744543 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc[nH]c(=N)n2)N1 ZINC000587744666 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc[nH]c(=N)n2)N1 ZINC000587744668 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc[nH]c(=N)n2)N1 ZINC000587744670 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc[nH]c(=N)n2)N1 ZINC000587744672 FF Annotated Anodyne COc1ncnc(N)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745386 FF Annotated Anodyne COc1ncnc(N)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745388 FF Annotated Anodyne COc1ncnc(N)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745390 FF Annotated Anodyne COc1ncnc(N)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745392 FF Annotated Anodyne Cc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(=N)[nH]1 ZINC000587745459 FF Annotated Anodyne Cc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(=N)[nH]1 ZINC000587745461 FF Annotated Anodyne Cc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(=N)[nH]1 ZINC000587745465 FF Annotated Anodyne Cc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(=N)[nH]1 ZINC000587745468 FF Annotated Anodyne Cc1nc(=N)[nH]cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747040 FF Annotated Anodyne Cc1nc(=N)[nH]cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747041 FF Annotated Anodyne Cc1nc(=N)[nH]cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747042 FF Annotated Anodyne Cc1nc(=N)[nH]cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747043 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nccnc2N)N1 ZINC000587747381 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nccnc2N)N1 ZINC000587747387 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nccnc2N)N1 ZINC000587747389 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nccnc2N)N1 ZINC000587747391 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nccnc2N)N1 ZINC000587748340 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nccnc2N)N1 ZINC000587748342 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nccnc2N)N1 ZINC000587748344 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nccnc2N)N1 ZINC000587748346 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])nn2C)N1 ZINC000587749776 FF Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])nn2C)N1 ZINC000587749777 FF Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])nn2C)N1 ZINC000587749778 FF Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])nn2C)N1 ZINC000587749779 FF Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])n(C)n2)N1 ZINC000587750181 FF Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])n(C)n2)N1 ZINC000587750184 FF Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])n(C)n2)N1 ZINC000587750185 FF Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])n(C)n2)N1 ZINC000587750186 FF Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(N)=O)CC2)N1 ZINC000587750318 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(N)=O)CC2)N1 ZINC000587750321 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])nn2C)N1 ZINC000587751128 FF Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])nn2C)N1 ZINC000587751130 FF Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])nn2C)N1 ZINC000587751132 FF Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])nn2C)N1 ZINC000587751135 FF Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])n(C)n2)N1 ZINC000587751197 FF Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])n(C)n2)N1 ZINC000587751199 FF Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])n(C)n2)N1 ZINC000587751200 FF Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])n(C)n2)N1 ZINC000587751201 FF Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc[nH]c2[N+](=O)[O-])N1 ZINC000587752595 FF Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc[nH]c2[N+](=O)[O-])N1 ZINC000587752596 FF Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc[nH]c2[N+](=O)[O-])N1 ZINC000587752598 FF Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc[nH]c2[N+](=O)[O-])N1 ZINC000587752599 FF Annotated Bother Cc1nn(C)c(N)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753244 FF Annotated Anodyne Cc1nn(C)c(N)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753249 FF Annotated Anodyne Cc1nn(C)c(N)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753251 FF Annotated Anodyne Cc1nn(C)c(N)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753252 FF Annotated Anodyne CCN=c1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 ZINC000587753687 FF Annotated Anodyne CCN=c1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 ZINC000587753688 FF Annotated Anodyne CCN=c1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 ZINC000587753690 FF Annotated Anodyne CCN=c1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 ZINC000587753692 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc[nH]c2[N+](=O)[O-])N1 ZINC000587754005 FF Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc[nH]c2[N+](=O)[O-])N1 ZINC000587754007 FF Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc[nH]c2[N+](=O)[O-])N1 ZINC000587754009 FF Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc[nH]c2[N+](=O)[O-])N1 ZINC000587754011 FF Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cccn2C)N1 ZINC000587755034 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cccn2C)N1 ZINC000587755036 FF Annotated Anodyne C/C(=C/[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)NCCO ZINC000587755037 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cccn2C)N1 ZINC000587755038 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cccn2C)N1 ZINC000587755039 FF Annotated Anodyne C/C(=C\[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)NCCO ZINC000587755042 FF Annotated Anodyne C/C(=C\[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)NCCO ZINC000587755044 FF Annotated Anodyne C/C(=C/[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)NCCO ZINC000587755045 FF Annotated Anodyne COC[C@@]1(c2ccnn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755966 FF Annotated Anodyne COC[C@]1(c2ccnn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755971 FF Annotated Anodyne COC[C@@]1(c2ccnn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755973 FF Annotated Anodyne COC[C@]1(c2ccnn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755975 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ncnn2C)(C2CC2)N1 ZINC000587756012 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ncnn2C)(C2CC2)N1 ZINC000587756021 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ncnn2C)(C2CC2)N1 ZINC000587756022 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ncnn2C)(C2CC2)N1 ZINC000587756024 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cccn2C)N1 ZINC000587757388 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cccn2C)N1 ZINC000587757389 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cccn2C)N1 ZINC000587757391 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cccn2C)N1 ZINC000587757393 FF Annotated Anodyne Cc1nn(C)c(N)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757580 FF Annotated Anodyne Cc1nn(C)c(N)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757581 FF Annotated Anodyne Cc1nn(C)c(N)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757582 FF Annotated Anodyne Cc1nn(C)c(N)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757583 FF Annotated Anodyne CC[C@@]1(c2ncnn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757757 FF Annotated Anodyne CC[C@]1(c2ncnn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757758 FF Annotated Anodyne CC[C@@]1(c2ncnn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757762 FF Annotated Anodyne CC[C@]1(c2ncnn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757765 FF Annotated Anodyne COC[C@]1(c2ccnn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757867 FF Annotated Anodyne COC[C@@]1(c2ccnn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757869 FF Annotated Anodyne COC[C@]1(c2ccnn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757872 FF Annotated Anodyne COC[C@@]1(c2ccnn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757874 FF Annotated Anodyne C/C(=C/[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)NCCO ZINC000587758623 FF Annotated Anodyne C/C(=C\[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)NCCO ZINC000587758625 FF Annotated Anodyne C/C(=C\[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)NCCO ZINC000587758627 FF Annotated Anodyne C/C(=C/[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)NCCO ZINC000587758628 FF Annotated Anodyne CC[C@@]1(c2ncnn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759705 FF Annotated Anodyne CC[C@]1(c2ncnn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759706 FF Annotated Anodyne CC[C@@]1(c2ncnn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759708 FF Annotated Anodyne CC[C@]1(c2ncnn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759710 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ncnn2C)(C2CC2)N1 ZINC000587759995 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ncnn2C)(C2CC2)N1 ZINC000587759997 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ncnn2C)(C2CC2)N1 ZINC000587759999 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ncnn2C)(C2CC2)N1 ZINC000587760001 FF Annotated Anodyne C[C@@H]1N(C)C=CC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760516 FF Annotated Mild C[C@@H]1N(C)C=CC(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760519 FF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C=CN(C)[C@@H]2C ZINC000587760520 FF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C=CN(C)[C@@H]2C ZINC000587760521 FF Annotated Mild C[C@H]1C(=O)[C@]2(C=CN1C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760899 FF Annotated Anodyne C[C@H]1C(=O)[C@@]2(C=CN1C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587760900 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(C)[C@H](C)C2=O)N1 ZINC000587760901 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(C)[C@H](C)C2=O)N1 ZINC000587760902 FF Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)CN1C ZINC000587761280 FF Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)CN1C ZINC000587761282 FF Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)CN1C ZINC000587761283 FF Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)CN1C ZINC000587761285 FF Annotated Anodyne Cc1nn(CCO)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761711 FF Annotated Anodyne Cc1nn(CCO)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761712 FF Annotated Anodyne Cc1nn(CCO)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761713 FF Annotated Anodyne Cc1nn(CCO)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761714 FF Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)CN1C ZINC000587761944 FF Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)CN1C ZINC000587761945 FF Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)CN1C ZINC000587761947 FF Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)CN1C ZINC000587761948 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C)C[C@@H]2CCO)N1 ZINC000587762308 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C)C[C@H]2CCO)N1 ZINC000587762309 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C)C[C@H]2CCO)N1 ZINC000587762310 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C)C[C@@H]2CCO)N1 ZINC000587762311 FF Annotated Anodyne CC1=CC(=O)[C@]2(CN1C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762634 FF Annotated Mild CC1=CC(=O)[C@]2(CN1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762635 FF Annotated Mild CC1=CC(=O)[C@@]2(CN1C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762736 FF Annotated Mild CC1=CC(=O)[C@@]2(CN1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762737 FF Annotated Mild CC1=CC(=O)[C@@]2(CN1C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762968 FF Annotated Mild CC1=CC(=O)[C@@]2(CN1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762969 FF Annotated Mild CC1=CC(=O)[C@]2(CN1C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762970 FF Annotated Mild CC1=CC(=O)[C@]2(CN1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587762971 FF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(C)c2N)N1 ZINC000587763304 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(C)c2N)N1 ZINC000587763305 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(C)c2N)N1 ZINC000587763306 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(C)c2N)N1 ZINC000587763307 FF Annotated Anodyne C[C@@H]1N(C)C=CC(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763342 FF Annotated Mild C[C@@H]1N(C)C=CC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763343 FF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C=CN(C)[C@@H]2C ZINC000587763344 FF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C=CN(C)[C@@H]2C ZINC000587763345 FF Annotated Mild C[C@H]1C(=O)[C@]2(C=CN1C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587763390 FF Annotated Anodyne C[C@H]1C(=O)[C@@]2(C=CN1C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587763391 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(C)[C@H](C)C2=O)N1 ZINC000587763392 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(C)[C@H](C)C2=O)N1 ZINC000587763393 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C)C[C@@H]2CCO)N1 ZINC000587763430 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C)C[C@H]2CCO)N1 ZINC000587763431 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C)C[C@H]2CCO)N1 ZINC000587763432 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C)C[C@@H]2CCO)N1 ZINC000587763433 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2CCN(C)CC2)N1 ZINC000587764086 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2CCN(C)CC2)N1 ZINC000587764087 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2CCN(C)CC2)N1 ZINC000587764088 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2CCN(C)CC2)N1 ZINC000587764089 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2CCN(C)CC2)N1 ZINC000587764959 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2CCN(C)CC2)N1 ZINC000587764960 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2CCN(C)CC2)N1 ZINC000587764962 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2CCN(C)CC2)N1 ZINC000587764963 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(N(C)C)CC2)N1 ZINC000587765016 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(N(C)C)CC2)N1 ZINC000587765021 FF Annotated Anodyne CC(=O)N1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587765455 FF Annotated Anodyne CC(=O)N1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587765460 FF Annotated Anodyne CCN1CC[C@@]2(CC1=O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587765790 FF Annotated Anodyne CCN1CC[C@]2(CC1=O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587765792 FF Annotated Anodyne CCN1CC[C@@]2(CC1=O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587765793 FF Annotated Anodyne CCN1CC[C@]2(CC1=O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587765794 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(CC#N)CC2)N1 ZINC000587765916 FF Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(CC#N)CC2)N1 ZINC000587765917 FF Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@H]3COC[C@@H](C2)N3C)N1 ZINC000587766136 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@H]3COC[C@@H](C2)N3C)N1 ZINC000587766144 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(C)c2N)N1 ZINC000587766822 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(C)c2N)N1 ZINC000587766823 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(C)c2N)N1 ZINC000587766825 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(C)c2N)N1 ZINC000587766826 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)Nn3cccc32)N1 ZINC000587767184 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)Nn3cccc32)N1 ZINC000587767205 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)Nn3cccc32)N1 ZINC000587767210 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)Nn3cccc32)N1 ZINC000587767215 FF Annotated Anodyne CCN1CC[C@@]2(CC1=O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767233 FF Annotated Anodyne CCN1CC[C@]2(CC1=O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767236 FF Annotated Anodyne CCN1CC[C@@]2(CC1=O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767238 FF Annotated Anodyne CCN1CC[C@]2(CC1=O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767240 FF Annotated Anodyne Cc1nn(CCO)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587767383 FF Annotated Anodyne Cc1nn(CCO)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587767384 FF Annotated Anodyne Cc1nn(CCO)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587767386 FF Annotated Anodyne Cc1nn(CCO)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587767387 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(CC#N)CC2)N1 ZINC000587767680 FF Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(CC#N)CC2)N1 ZINC000587767681 FF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(N(C)C)CC2)N1 ZINC000587767696 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(N(C)C)CC2)N1 ZINC000587767697 FF Annotated Anodyne CC(=O)N1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767765 FF Annotated Anodyne CC(=O)N1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587767766 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@H]3COC[C@@H](C2)N3C)N1 ZINC000587767796 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@H]3COC[C@@H](C2)N3C)N1 ZINC000587767797 FF Annotated Anodyne COCCN1CC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587768244 FF Annotated Anodyne COCCN1CC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587768245 FF Annotated Anodyne COCCN1CC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587768672 FF Annotated Anodyne COCCN1CC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587768674 FF Annotated Anodyne COCCN1CC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587768756 FF Annotated Anodyne COCCN1CC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587768759 FF Annotated Anodyne COCCN1CC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587768761 FF Annotated Anodyne COCCN1CC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587768763 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3C)N1 ZINC000587769598 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@@H](O)[C@@H](C2)N3C)N1 ZINC000587769599 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@@H](O)[C@@H](C2)N3C)N1 ZINC000587769600 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3C)N1 ZINC000587769601 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2CCOCC2)N1 ZINC000587769696 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2CCOCC2)N1 ZINC000587769697 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2CCOCC2)N1 ZINC000587769698 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2CCOCC2)N1 ZINC000587769699 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2CCOCC2)N1 ZINC000587769966 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2CCOCC2)N1 ZINC000587769971 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2CCOCC2)N1 ZINC000587769974 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2CCOCC2)N1 ZINC000587769977 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)Nn3cccc32)N1 ZINC000587770102 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)Nn3cccc32)N1 ZINC000587770105 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)Nn3cccc32)N1 ZINC000587770287 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)Nn3cccc32)N1 ZINC000587770288 FF Annotated Anodyne CCN1C=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(N)=C1 ZINC000587770505 FF Annotated Anodyne CCN1C=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(N)=C1 ZINC000587770511 FF Annotated Anodyne CCN1C=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(N)=C1 ZINC000587770513 FF Annotated Anodyne CCN1C=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(N)=C1 ZINC000587770515 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C=CN(CC(=O)O)C=C2)N1 ZINC000587771149 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C=CN(CC(=O)O)C=C2)N1 ZINC000587771155 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3COC[C@@H](C2)N3C)N1 ZINC000587771176 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3COC[C@@H](C2)N3C)N1 ZINC000587771179 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3COC[C@@H](C2)N3C)N1 ZINC000587771182 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3COC[C@@H](C2)N3C)N1 ZINC000587771185 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C=O)c2cnccn2)N1 ZINC000587771782 FF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C=O)c2cnccn2)N1 ZINC000587771786 FF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C=O)c2cnccn2)N1 ZINC000587771788 FF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C=O)c2cnccn2)N1 ZINC000587771789 FF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3C)N1 ZINC000587772453 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@@H](O)[C@@H](C2)N3C)N1 ZINC000587772455 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3C)N1 ZINC000587772460 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@@H](O)[C@@H](C2)N3C)N1 ZINC000587772466 FF Annotated Anodyne COc1c[nH]c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1=O ZINC000587772932 FF Annotated Anodyne COc1c[nH]c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1=O ZINC000587772942 FF Annotated Anodyne COc1c[nH]c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1=O ZINC000587772943 FF Annotated Anodyne COc1c[nH]c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1=O ZINC000587772944 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3COC[C@@H](C2)N3C)N1 ZINC000587773164 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3COC[C@@H](C2)N3C)N1 ZINC000587773165 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3COC[C@@H](C2)N3C)N1 ZINC000587773166 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3COC[C@@H](C2)N3C)N1 ZINC000587773168 FF Annotated Anodyne Cc1nc(O)nc(O)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773465 FF Annotated Anodyne Cc1nc(O)nc(O)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773469 FF Annotated Anodyne Cc1nc(O)nc(O)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773470 FF Annotated Anodyne Cc1nc(O)nc(O)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587773472 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn(C)c(=O)c2)N1 ZINC000587774175 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn(C)c(=O)c2)N1 ZINC000587774176 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn(C)c(=O)c2)N1 ZINC000587774177 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn(C)c(=O)c2)N1 ZINC000587774178 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3C)N1 ZINC000587774590 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3C)N1 ZINC000587774596 FF Annotated Anodyne COc1c[nH]c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1=O ZINC000587775013 FF Annotated Anodyne COc1c[nH]c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1=O ZINC000587775014 FF Annotated Anodyne COc1c[nH]c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1=O ZINC000587775015 FF Annotated Anodyne COc1c[nH]c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1=O ZINC000587775016 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn(C)c2=O)N1 ZINC000587775112 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn(C)c2=O)N1 ZINC000587775113 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn(C)c2=O)N1 ZINC000587775114 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn(C)c2=O)N1 ZINC000587775115 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(O)nc2O)N1 ZINC000587775252 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn(C)c(=O)c2)N1 ZINC000587775257 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(O)nc2O)N1 ZINC000587775258 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(O)nc2O)N1 ZINC000587775259 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(O)nc2O)N1 ZINC000587775260 FF Annotated Anodyne Cc1nc(O)nc(O)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775261 FF Annotated Anodyne Cc1nc(O)nc(O)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775262 FF Annotated Anodyne Cc1nc(O)nc(O)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775263 FF Annotated Anodyne Cc1nc(O)nc(O)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587775264 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn(C)c(=O)c2)N1 ZINC000587775405 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn(C)c(=O)c2)N1 ZINC000587775406 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn(C)c(=O)c2)N1 ZINC000587775407 FF Annotated Anodyne CCN1C=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(N)=C1 ZINC000587775467 FF Annotated Anodyne CCN1C=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(N)=C1 ZINC000587775468 FF Annotated Anodyne CCN1C=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(N)=C1 ZINC000587775469 FF Annotated Anodyne CCN1C=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(N)=C1 ZINC000587775470 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn(C)c2=O)N1 ZINC000587775544 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn(C)c2=O)N1 ZINC000587775545 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn(C)c2=O)N1 ZINC000587775547 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn(C)c2=O)N1 ZINC000587775549 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cccnc2)N1 ZINC000587775669 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cccnc2)N1 ZINC000587775670 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cccnc2)N1 ZINC000587775671 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cccnc2)N1 ZINC000587775672 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C=O)c2ccncn2)N1 ZINC000587775974 FF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C=O)c2ccncn2)N1 ZINC000587775975 FF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C=O)c2ccncn2)N1 ZINC000587775976 FF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C=O)c2ccncn2)N1 ZINC000587775977 FF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(O)nc2O)N1 ZINC000587776017 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(O)nc2O)N1 ZINC000587776018 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(O)nc2O)N1 ZINC000587776019 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(O)nc2O)N1 ZINC000587776020 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3C)N1 ZINC000587776169 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@H](O)[C@@H](C2)N3C)N1 ZINC000587776174 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C=O)c2cnccn2)N1 ZINC000587776384 FF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C=O)c2cnccn2)N1 ZINC000587776385 FF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C=O)c2cnccn2)N1 ZINC000587776386 FF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C=O)c2cnccn2)N1 ZINC000587776387 FF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cccnc2)N1 ZINC000587776958 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cccnc2)N1 ZINC000587776960 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cccnc2)N1 ZINC000587776962 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cccnc2)N1 ZINC000587776964 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C=CN(CC(=O)O)C=C2)N1 ZINC000587777234 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C=CN(CC(=O)O)C=C2)N1 ZINC000587777236 FF Annotated Anodyne CCOC(=O)Cc1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 ZINC000587777321 FF Annotated Anodyne CCOC(=O)Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587777835 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C=O)c2ccncn2)N1 ZINC000587777941 FF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C=O)c2ccncn2)N1 ZINC000587777942 FF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C=O)c2ccncn2)N1 ZINC000587777943 FF Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C=O)c2ccncn2)N1 ZINC000587777944 FF Annotated Mild CCOCCOCc1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587778291 FF Annotated Anodyne CCOCCOCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587778556 FF Annotated Clean CCOc1ccc(OCC)c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000587778836 FF Annotated Anodyne CCOC(=O)Cc1ccc2nc(CC(=O)OCc3ccccc3)[nH]c2c1 ZINC000587781708 FF Annotated Anodyne COC(=O)c1cc2[nH]c(CC(=O)OCc3ccccc3)nc2cc1OC ZINC000587781727 FF Annotated Anodyne COC(=O)c1ccc2nc(CC(=O)OCc3ccccc3)[nH]c2c1OC ZINC000587782137 FF Annotated Anodyne O=C(Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)OCc1ccccc1 ZINC000587782216 FF Annotated Bother COc1cccc(OCc2ccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)cc2)c1 ZINC000587782646 FF Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587783043 FF Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(CCOCC3CC3)[nH]c2c1 ZINC000587783129 FF Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587783224 FF Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000587783253 FF Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587783284 FF Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587783289 FF Annotated Bother COC(=O)C[C@H](C)Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587783345 FF Annotated Anodyne COc1cc(/C=C\c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc(O)c1O ZINC000587784710 FF Annotated Clean COc1cc(/C=C/c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc(O)c1O ZINC000587784717 FF Annotated Clean COC(=O)c1ccc2nc(-c3cc(OC)c(O)c(OC)c3)[nH]c2c1OC ZINC000587784718 FF Annotated Anodyne COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc1 ZINC000587784815 FF Annotated Anodyne COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc1 ZINC000587784816 FF Annotated Anodyne COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc1 ZINC000587784817 FF Annotated Anodyne COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc1 ZINC000587784818 FF Annotated Anodyne COc1cc(/C=C\c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc(O)c1O ZINC000587784883 FF Annotated Clean COc1cc(/C=C/c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc(O)c1O ZINC000587784899 FF Annotated Clean COc1cc(/C=C\c2nc3nc(Br)c[nH]c-3n2)cc(O)c1O ZINC000587785911 FF Annotated Clean COc1cc(/C=C/c2nc3nc(Br)c[nH]c-3n2)cc(O)c1O ZINC000587785921 FF Annotated Clean COc1ccc(C=O)c(-c2nc3nc(Br)c[nH]c-3n2)c1OC ZINC000587786181 FF Annotated Anodyne COC(=O)c1cc2[nH]c(/C=C\c3cc(O)c(O)c(OC)c3)nc2cc1OC ZINC000587786466 FF Annotated Clean COC(=O)c1cc2[nH]c(/C=C/c3cc(O)c(O)c(OC)c3)nc2cc1OC ZINC000587786468 FF Annotated Clean COc1ccc(C=O)c(-c2nc3nc(C(F)(F)F)ncc3[nH]2)c1OC ZINC000587786667 FF Annotated Anodyne COc1cc(/C=C\c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc(O)c1O ZINC000587786876 FF Annotated Clean COc1cc(/C=C/c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc(O)c1O ZINC000587786892 FF Annotated Clean COC(=O)c1ccc2[nH]c(-c3c(C=O)ccc(OC)c3OC)nc2c1OC ZINC000587787263 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c(CCC(=O)c3cc(C)ccc3OC)nc12 ZINC000587787331 FF Annotated Anodyne COc1ccc(C=O)cc1-c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587787576 FF Annotated Anodyne COC(=O)c1cc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c2cn1 ZINC000587787671 FF Annotated Anodyne COC(=O)c1cc2nc(-c3c(C=O)ccc(OC)c3OC)[nH]c2cc1OC ZINC000587787739 FF Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2cccc(I)c2[nH]1 ZINC000587787917 FF Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587787931 FF Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2ccc(I)cc2[nH]1 ZINC000587787999 FF Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587788062 FF Annotated Anodyne COC(=O)c1ccc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c2n1 ZINC000587788162 FF Annotated Anodyne CCOC(=O)C[C@@]1(COC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789003 FF Annotated Anodyne CCOC(=O)C[C@]1(COC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789011 FF Annotated Anodyne CCOC(=O)C[C@@]1(COC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789012 FF Annotated Anodyne CCOC(=O)C[C@]1(COC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789013 FF Annotated Anodyne CC[C@@]1(C(=O)OC(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789356 FF Annotated Reactive CC[C@]1(C(=O)OC(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789360 FF Annotated Reactive CC[C@]1(C(=O)OC(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789362 FF Annotated Reactive CC[C@@]1(C(=O)OC(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789365 FF Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ncccc12 ZINC000587789400 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ncccc12 ZINC000587789403 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ncccc12 ZINC000587789405 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ncccc12 ZINC000587789406 FF Annotated Anodyne COc1ccc(C=O)c(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)c1OC ZINC000587789637 FF Annotated Anodyne COCC[C@@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790315 FF Annotated Anodyne COCC[C@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790316 FF Annotated Anodyne COCC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790317 FF Annotated Anodyne COCC[C@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790318 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCCNC2=O)N1 ZINC000587790366 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCCNC2=O)N1 ZINC000587790370 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCCNC2=O)N1 ZINC000587790371 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCNC2=O)N1 ZINC000587790373 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(=O)O)[nH]n2)N1 ZINC000587790483 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(=O)O)[nH]n2)N1 ZINC000587790485 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(=O)O)[nH]n2)N1 ZINC000587790487 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(=O)O)[nH]n2)N1 ZINC000587790489 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCNC2=O)N1 ZINC000587791056 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCCNC2=O)N1 ZINC000587791058 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(CO)on2)N1 ZINC000587791059 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(CO)on2)N1 ZINC000587791060 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCCNC2=O)N1 ZINC000587791061 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(CO)on2)N1 ZINC000587791062 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCCNC2=O)N1 ZINC000587791063 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(CO)on2)N1 ZINC000587791064 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CNC(=O)C[C@@H]3C2)N1 ZINC000587791142 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC(=O)NC[C@@H]3C2)N1 ZINC000587791143 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CNC(=O)C[C@H]3C2)N1 ZINC000587791146 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CNC(=O)C[C@H]3C2)N1 ZINC000587791148 FF Annotated Anodyne COCCOC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791411 FF Annotated Anodyne COCCOC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791412 FF Annotated Anodyne COCCOC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791414 FF Annotated Anodyne COCCOC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791416 FF Annotated Anodyne COc1ccc(C=O)c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1OC ZINC000587791548 FF Annotated Bother CC[C@@]1(C(=O)OC(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792012 FF Annotated Reactive CC[C@]1(C(=O)OC(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792013 FF Annotated Reactive CC[C@]1(C(=O)OC(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792014 FF Annotated Reactive CC[C@@]1(C(=O)OC(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792015 FF Annotated Reactive CCOC(=O)[C@@]1(CC(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792160 FF Annotated Anodyne CCOC(=O)[C@@]1(CC(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792162 FF Annotated Anodyne CCOC(=O)[C@]1(CC(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792165 FF Annotated Anodyne CCOC(=O)[C@]1(CC(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792168 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)nn2)N1 ZINC000587793125 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)nn2)N1 ZINC000587793128 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)nn2)N1 ZINC000587793130 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)nn2)N1 ZINC000587793132 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(CO)on2)N1 ZINC000587793176 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(CO)on2)N1 ZINC000587793178 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(CO)on2)N1 ZINC000587793181 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(CO)on2)N1 ZINC000587793182 FF Annotated Anodyne COC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793251 FF Annotated Anodyne COC[C@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793252 FF Annotated Anodyne COC[C@@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793253 FF Annotated Anodyne COC[C@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793254 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(=O)O)[nH]n2)N1 ZINC000587793700 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(=O)O)[nH]n2)N1 ZINC000587793701 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(=O)O)[nH]n2)N1 ZINC000587793702 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(=O)O)[nH]n2)N1 ZINC000587793703 FF Annotated Anodyne CCOC(=O)C[C@@]1(COC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793901 FF Annotated Anodyne CCOC(=O)C[C@]1(COC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793902 FF Annotated Anodyne CCOC(=O)C[C@@]1(COC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793904 FF Annotated Anodyne CCOC(=O)C[C@]1(COC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793905 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)nn2)N1 ZINC000587794498 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)nn2)N1 ZINC000587794500 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)nn2)N1 ZINC000587794502 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)nn2)N1 ZINC000587794505 FF Annotated Anodyne COCC[C@@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794757 FF Annotated Anodyne COCC[C@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794759 FF Annotated Anodyne COCC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794760 FF Annotated Anodyne COCC[C@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794761 FF Annotated Anodyne CCOC[C@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794842 FF Annotated Anodyne CCOC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794843 FF Annotated Anodyne CCOC[C@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794844 FF Annotated Anodyne CCOC[C@@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794845 FF Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795352 FF Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795353 FF Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795354 FF Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795355 FF Annotated Anodyne COc1ccc(OC)c(-c2nc3nc(Br)c[nH]c-3n2)c1OC ZINC000587795370 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ncccc12 ZINC000587795620 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ncccc12 ZINC000587795621 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ncccc12 ZINC000587795622 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ncccc12 ZINC000587795623 FF Annotated Anodyne COC(=O)[C@H](OC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796212 FF Annotated Anodyne COC(=O)[C@H](OC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796227 FF Annotated Anodyne COC(=O)[C@H](OC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796230 FF Annotated Anodyne COC(=O)[C@H](OC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796232 FF Annotated Anodyne CCOC(=O)[C@H](C=O)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796479 FF Annotated Mild CCOC(=O)[C@H](C=O)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796483 FF Annotated Mild CCOC(=O)[C@H](C=O)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796484 FF Annotated Mild CCOC(=O)[C@H](C=O)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796486 FF Annotated Mild COC(=O)[C@H](OC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797274 FF Annotated Anodyne COC(=O)[C@H](OC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797276 FF Annotated Anodyne COC(=O)[C@H](OC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797277 FF Annotated Anodyne COC(=O)[C@H](OC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797279 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CNC(=O)C[C@@H]3C2)N1 ZINC000587797431 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC(=O)NC[C@@H]3C2)N1 ZINC000587797432 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CNC(=O)C[C@H]3C2)N1 ZINC000587797435 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CNC(=O)C[C@H]3C2)N1 ZINC000587797437 FF Annotated Anodyne COCCOC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797524 FF Annotated Anodyne COCCOC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797525 FF Annotated Anodyne COCCOC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797526 FF Annotated Anodyne COCCOC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797527 FF Annotated Anodyne COC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797844 FF Annotated Anodyne COC[C@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797845 FF Annotated Anodyne COC[C@@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797846 FF Annotated Anodyne COC[C@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797847 FF Annotated Anodyne CC[C@@H]1CNC(=O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799468 FF Annotated Anodyne CC[C@@H]1CNC(=O)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799470 FF Annotated Anodyne CC[C@@H]1CNC(=O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799472 FF Annotated Anodyne CC[C@@H]1CNC(=O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799474 FF Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799634 FF Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799636 FF Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799638 FF Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799639 FF Annotated Anodyne CCOC(=O)[C@@]1(CC(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799654 FF Annotated Anodyne CCOC(=O)[C@@]1(CC(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799656 FF Annotated Anodyne CCOC(=O)[C@]1(CC(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799658 FF Annotated Anodyne CCOC(=O)[C@]1(CC(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799660 FF Annotated Anodyne CC[C@@H]1CNC(=O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799806 FF Annotated Anodyne CC[C@@H]1CNC(=O)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799807 FF Annotated Anodyne CC[C@@H]1CNC(=O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799808 FF Annotated Anodyne CC[C@@H]1CNC(=O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799809 FF Annotated Anodyne CCOC(=O)[C@H](C=O)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800281 FF Annotated Mild CCOC(=O)[C@H](C=O)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800282 FF Annotated Mild CCOC(=O)[C@H](C=O)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800284 FF Annotated Mild CCOC(=O)[C@H](C=O)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800285 FF Annotated Mild CCOC[C@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800432 FF Annotated Anodyne CCOC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800433 FF Annotated Anodyne CCOC[C@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800434 FF Annotated Anodyne CCOC[C@@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800435 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN=CNc3[nH]cnc32)N1 ZINC000587802151 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CN=CNc3[nH]cnc32)N1 ZINC000587802152 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN=CNc3[nH]cnc32)N1 ZINC000587802153 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN=CNc3[nH]cnc32)N1 ZINC000587802154 FF Annotated Anodyne COC(=O)c1n[nH]cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802925 FF Annotated Anodyne COC(=O)c1n[nH]cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802926 FF Annotated Anodyne COC(=O)c1n[nH]cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802928 FF Annotated Anodyne COC(=O)c1n[nH]cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587802930 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2C(=O)O)N1 ZINC000587803302 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2C(=O)O)N1 ZINC000587803303 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]nc2C(=O)O)N1 ZINC000587803304 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]nc2C(=O)O)N1 ZINC000587803305 FF Annotated Anodyne COC(=O)[C@H](C(C)=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803462 FF Annotated Anodyne COC(=O)[C@H](C(C)=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803466 FF Annotated Anodyne COC(=O)[C@H](C(C)=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803467 FF Annotated Anodyne COC(=O)[C@H](C(C)=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803468 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN=CNc3[nH]cnc32)N1 ZINC000587804001 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CN=CNc3[nH]cnc32)N1 ZINC000587804004 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN=CNc3[nH]cnc32)N1 ZINC000587804007 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN=CNc3[nH]cnc32)N1 ZINC000587804008 FF Annotated Anodyne COC1=C[C@]2(C=CC1=O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806408 FF Annotated Mild COC1=C[C@]2(C=CC1=O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806409 FF Annotated Mild COC1=C[C@@]2(C=CC1=O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806410 FF Annotated Mild COC1=C[C@@]2(C=CC1=O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806411 FF Annotated Mild COC(=O)[C@H](C(C)=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807198 FF Annotated Anodyne COC(=O)[C@H](C(C)=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807200 FF Annotated Anodyne COC(=O)[C@H](C(C)=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807203 FF Annotated Anodyne COC(=O)[C@H](C(C)=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807206 FF Annotated Anodyne COC(=O)c1n[nH]cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807674 FF Annotated Anodyne COC(=O)c1n[nH]cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807679 FF Annotated Anodyne COC(=O)c1n[nH]cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807683 FF Annotated Anodyne COC(=O)c1n[nH]cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807687 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2C(=O)O)N1 ZINC000587808551 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2C(=O)O)N1 ZINC000587808553 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]nc2C(=O)O)N1 ZINC000587808554 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]nc2C(=O)O)N1 ZINC000587808555 FF Annotated Anodyne COC1=C[C@]2(C=CC1=O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810282 FF Annotated Mild COC1=C[C@]2(C=CC1=O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810283 FF Annotated Mild COC1=C[C@@]2(C=CC1=O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810284 FF Annotated Mild COC1=C[C@@]2(C=CC1=O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810285 FF Annotated Mild COC1=CC(=O)C=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810675 FF Annotated Mild COC1=CC(=O)C=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810679 FF Annotated Mild COC1=CC(=O)C=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810684 FF Annotated Mild COC1=CC(=O)C=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810687 FF Annotated Mild COC1=CC(=O)C=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587813662 FF Annotated Mild COC1=CC(=O)C=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587813664 FF Annotated Mild COC1=CC(=O)C=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587813665 FF Annotated Mild COC1=CC(=O)C=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587813666 FF Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](C(=O)O)C2)N1 ZINC000587824375 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](C(=O)O)C2)N1 ZINC000587824376 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](C(=O)O)C2)N1 ZINC000587824377 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](C(=O)O)C2)N1 ZINC000587824378 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(C(=O)O)N1 ZINC000587825836 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(C(=O)O)N1 ZINC000587825838 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)O)(C(=O)O)N1 ZINC000587825839 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)O)(C(=O)O)N1 ZINC000587825840 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@@H](C(=O)O)C2)N1 ZINC000587827743 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](C(=O)O)C2)N1 ZINC000587827744 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](C(=O)O)C2)N1 ZINC000587827745 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](C(=O)O)C2)N1 ZINC000587827746 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(C(=O)O)N1 ZINC000587827963 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(C(=O)O)N1 ZINC000587827964 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)O)(C(=O)O)N1 ZINC000587827965 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)O)(C(=O)O)N1 ZINC000587827966 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]31 ZINC000587828536 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]31 ZINC000587828599 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]31 ZINC000587828601 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]31 ZINC000587828603 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]31 ZINC000587829600 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]31 ZINC000587829601 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]31 ZINC000587829602 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]31 ZINC000587829603 FF Annotated Anodyne COC1=COC(CO)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587832237 FF Annotated Anodyne COC1=COC(CO)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587832244 FF Annotated Anodyne COC1=COC(CO)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587832245 FF Annotated Anodyne COC1=COC(CO)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587832246 FF Annotated Anodyne COC1=COC(CO)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587832286 FF Annotated Anodyne COC1=COC(CO)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587832287 FF Annotated Anodyne COC1=COC(CO)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587832288 FF Annotated Anodyne COC1=COC(CO)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587832289 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COC(C(=O)O)=C2)N1 ZINC000587832290 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COC(C(=O)O)=C2)N1 ZINC000587832292 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COC(C(=O)O)=C2)N1 ZINC000587832294 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COC(C(=O)O)=C2)N1 ZINC000587832296 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COC(C(=O)O)=C2)N1 ZINC000587832344 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COC(C(=O)O)=C2)N1 ZINC000587832347 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COC(C(=O)O)=C2)N1 ZINC000587832348 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COC(C(=O)O)=C2)N1 ZINC000587832350 FF Annotated Anodyne COC(=O)[C@@H]1COCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587832472 FF Annotated Anodyne COC(=O)[C@@H]1COCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587832487 FF Annotated Anodyne COC(=O)[C@@H]1COCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587832489 FF Annotated Anodyne COC(=O)[C@@H]1COCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587832493 FF Annotated Anodyne CCOC(=O)[C@@H]1COC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833401 FF Annotated Anodyne CCOC(=O)[C@@H]1COC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833404 FF Annotated Anodyne CCOC(=O)[C@@H]1COC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833406 FF Annotated Anodyne CCOC(=O)[C@@H]1COC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587833408 FF Annotated Anodyne CCOC(=O)[C@@H]1COC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587833763 FF Annotated Anodyne CCOC(=O)[C@@H]1COC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587833765 FF Annotated Anodyne CCOC(=O)[C@@H]1COC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587833768 FF Annotated Anodyne CCOC(=O)[C@@H]1COC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587833770 FF Annotated Anodyne COC1(OC)CCOC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587834921 FF Annotated Anodyne COC1(OC)CCOC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587834924 FF Annotated Anodyne COC1(OC)CCOC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587834925 FF Annotated Anodyne COC1(OC)CCOC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587834926 FF Annotated Anodyne COC(=O)[C@@H]1COCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587836843 FF Annotated Anodyne COC(=O)[C@@H]1COCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587836844 FF Annotated Anodyne COC(=O)[C@@H]1COCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587836845 FF Annotated Anodyne COC(=O)[C@@H]1COCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587836846 FF Annotated Anodyne COC1(OC)CCOC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587836877 FF Annotated Anodyne COC1(OC)CCOC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587836878 FF Annotated Anodyne COC1(OC)CCOC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587836879 FF Annotated Anodyne COC1(OC)CCOC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587836880 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)nc(S)n2)N1 ZINC000587842097 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)nc(S)n2)N1 ZINC000587842106 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)nc(S)n2)N1 ZINC000587842107 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)nc(S)n2)N1 ZINC000587842108 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)nc(S)n2)N1 ZINC000587842510 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)nc(S)n2)N1 ZINC000587842511 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)nc(S)n2)N1 ZINC000587842512 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)nc(S)n2)N1 ZINC000587842513 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCS(=O)(=O)C2)N1 ZINC000587843861 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCS(=O)(=O)C2)N1 ZINC000587843871 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCS(=O)(=O)C2)N1 ZINC000587843873 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCS(=O)(=O)C2)N1 ZINC000587843876 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCS(=O)(=O)C2)N1 ZINC000587844726 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCS(=O)(=O)C2)N1 ZINC000587844732 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCS(=O)(=O)C2)N1 ZINC000587844734 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCS(=O)(=O)C2)N1 ZINC000587844736 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCS(=O)(=O)CC2)N1 ZINC000587844883 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCS(=O)(=O)CC2)N1 ZINC000587844884 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCS(=O)(=O)CC2)N1 ZINC000587845478 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCS(=O)(=O)CC2)N1 ZINC000587845480 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(C(O)O)N1 ZINC000587845801 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(C(O)O)N1 ZINC000587845806 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(C(O)O)N1 ZINC000587845808 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(C(O)O)N1 ZINC000587845810 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)S(C)(=O)=O)N1 ZINC000587849069 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)S(C)(=O)=O)N1 ZINC000587849074 FF Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)S(C)(=O)=O)N1 ZINC000587849075 FF Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)S(C)(=O)=O)N1 ZINC000587849077 FF Annotated Anodyne CCS(=O)(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849786 FF Annotated Anodyne CCS(=O)(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849787 FF Annotated Anodyne CCS(=O)(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849788 FF Annotated Anodyne CCS(=O)(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849789 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(C(O)O)N1 ZINC000587850130 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(C(O)O)N1 ZINC000587850131 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(C(O)O)N1 ZINC000587850132 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(C(O)O)N1 ZINC000587850133 FF Annotated Anodyne CCS(=O)(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850848 FF Annotated Anodyne CCS(=O)(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850849 FF Annotated Anodyne CCS(=O)(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850850 FF Annotated Anodyne CCS(=O)(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850851 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)S(C)(=O)=O)N1 ZINC000587852270 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)S(C)(=O)=O)N1 ZINC000587852271 FF Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)S(C)(=O)=O)N1 ZINC000587852272 FF Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)S(C)(=O)=O)N1 ZINC000587852273 FF Annotated Anodyne COC(=O)[C@@H]1CSC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587853595 FF Annotated Anodyne COC(=O)[C@@H]1CSC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587853599 FF Annotated Anodyne COC(=O)[C@@H]1CSC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587853601 FF Annotated Anodyne COC(=O)[C@@H]1CSC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587853603 FF Annotated Anodyne COC(=O)[C@@H]1SCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587854931 FF Annotated Anodyne COC(=O)[C@@H]1SCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587854937 FF Annotated Anodyne COC(=O)[C@@H]1SCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587854941 FF Annotated Anodyne COC(=O)[C@@H]1SCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587854943 FF Annotated Anodyne COC(=O)[C@@H]1CSC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587855950 FF Annotated Anodyne COC(=O)[C@@H]1CSC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587855951 FF Annotated Anodyne COC(=O)[C@@H]1CSC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587855952 FF Annotated Anodyne COC(=O)[C@@H]1CSC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587855953 FF Annotated Anodyne COC(=O)[C@@H]1SCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587858456 FF Annotated Anodyne COC(=O)[C@@H]1SCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587858457 FF Annotated Anodyne COC(=O)[C@@H]1SCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587858458 FF Annotated Anodyne COC(=O)[C@@H]1SCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587858459 FF Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cnnn1 ZINC000587859064 FF Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1CCS(N)(=O)=O ZINC000587859778 FF Annotated Anodyne C=C1NN=C(n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)NC1=O ZINC000587860000 FF Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nnc(S)n1N ZINC000587860777 FF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(=O)NC(C)C ZINC000587861602 FF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(O)nn1 ZINC000587862160 FF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccnn1C ZINC000587862577 FF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nccn1C ZINC000587862611 FF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1c(N)cnn1C ZINC000587862929 FF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnn(C)c1 ZINC000587862991 FF Annotated Anodyne COCCNC(=S)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587863014 FF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nnc(C)c(O)n1 ZINC000587863122 FF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)N1CCN(C)CC1 ZINC000587863127 FF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(O)nc(O)n1 ZINC000587863141 FF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)N=c1nc(C)o[nH]1 ZINC000587863147 FF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnn(C)c1N ZINC000587863175 FF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(C)n1 ZINC000587863241 FF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1COCCO1 ZINC000587863254 FF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1COCCO1 ZINC000587863255 FF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(N)cc(O)n1 ZINC000587863273 FF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccn(C)c1=O ZINC000587863368 FF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CC(=O)N(C)C1 ZINC000587863965 FF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000587863966 FF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CN1CCCC1=O ZINC000587863971 FF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1[C@H]1CCS(=O)(=O)C1 ZINC000587864144 FF Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000587864150 FF Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCC(N)=O ZINC000587864231 FF Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nncc(O)n1 ZINC000587865996 FF Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nc[nH]n1 ZINC000587866783 FF Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cnn[nH]1 ZINC000587866999 FF Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nnc(S)n1N ZINC000587867006 FF Annotated Anodyne CCOC(=O)CC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587867286 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ncoc1C ZINC000587867313 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(O)nc1 ZINC000587867487 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)on1 ZINC000587867531 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nncc(N)c1Cl ZINC000587867636 FF Annotated Anodyne COCCO[C@@H](C)C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587867668 FF Annotated Anodyne COCCO[C@H](C)C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587867672 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccnc(N(C)C)n1 ZINC000587867777 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnc(C)nc1 ZINC000587867869 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cncnc1C ZINC000587867931 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnc(C)cn1 ZINC000587867964 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncnc(Cl)c1N ZINC000587868047 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccncc1N ZINC000587868075 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C)cc(O)n1 ZINC000587868079 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1coc(C)n1 ZINC000587868126 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccn1C ZINC000587868141 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cn(C)nc1C ZINC000587868142 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CC1(C)OCCO1 ZINC000587868244 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)nn1C ZINC000587868261 FF Annotated Anodyne COc1ncc(F)c(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n1 ZINC000587868290 FF Annotated Anodyne COc1ccnc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n1 ZINC000587868444 FF Annotated Anodyne COCCCNC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587868470 FF Annotated Anodyne CCn1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n1 ZINC000587868483 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnc(Cl)cc1N ZINC000587868645 FF Annotated Anodyne COc1ccc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nn1 ZINC000587868754 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1ccc(C)n1 ZINC000587868830 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(Cl)[nH]c(=N)n1 ZINC000587868857 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)no1 ZINC000587868948 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)n(C)n1 ZINC000587868979 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)N=c1cc[nH]cc1 ZINC000587868998 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cccn1 ZINC000587869112 FF Annotated Anodyne CCn1cc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cn1 ZINC000587869117 FF Annotated Anodyne COC[C@@H](C)NC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587869143 FF Annotated Anodyne COC[C@H](C)NC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587869145 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnn(C)c1C ZINC000587869181 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1c[nH]nc1C ZINC000587869269 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1snnc1C ZINC000587869397 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)N1CCSCC1 ZINC000587869408 FF Annotated Anodyne COCc1nnc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)s1 ZINC000587869455 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1CCN(C)CC1 ZINC000587869510 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1csnn1 ZINC000587869600 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1cc[nH]n1 ZINC000587869607 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1nccc1C ZINC000587869673 FF Annotated Anodyne COCCCNC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587869707 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(Br)nn1C ZINC000587869821 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1[nH]cnc1C ZINC000587869867 FF Annotated Anodyne CCn1nccc1C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587870040 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cc(C)cn1 ZINC000587870166 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1cc(C)[nH]n1 ZINC000587870194 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncnc2[nH]cnc12 ZINC000587870218 FF Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)[nH]n1 ZINC000587870254 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNC(=O)c1cccnc1 ZINC000587870276 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C(=O)NCc1ccco1 ZINC000587870650 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C(=O)Nc1ccccn1 ZINC000587870692 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000587871138 FF Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000587871229 FF Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000587871310 FF Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1ccc([N+](=O)[O-])n1 ZINC000587871375 FF Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000587871380 FF Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000587871627 FF Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CCc2nncn2C1 ZINC000587871692 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCc2nncn2C1 ZINC000587871693 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCCCN(C)C ZINC000587871705 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cc(=O)n(CC(C)C)c(O)n1 ZINC000587871749 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000587871797 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000587871803 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccccc1S(N)(=O)=O ZINC000587871811 FF Annotated Anodyne CCCn1c(O)nc(-n2nc(-c3cccc(F)c3)cc2OCC)cc1=O ZINC000587871915 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1nc([N+](=O)[O-])cc1C ZINC000587871974 FF Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)CN1CCOCC1 ZINC000587872010 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)CN1CCOCC1 ZINC000587872014 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCCN1CCOCC1 ZINC000587872255 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000587872335 FF Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(C)c(C)c1[N+](=O)[O-] ZINC000587872349 FF Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCc2nnc(C)n2C1 ZINC000587872436 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC000587872437 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC000587872450 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC000587872451 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC000587872452 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000587872453 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1n[nH]c(=NN)c2ccccc12 ZINC000587872530 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1cc(=O)n(C(C)C)c(O)n1 ZINC000587873034 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN1CCN2CCC[C@H]2C1 ZINC000587873083 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN1CCN2CCC[C@@H]2C1 ZINC000587873087 FF Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cc(O)nc(S)n1 ZINC000587873137 FF Annotated Anodyne Fc1ccc2oc3cc(nn3-c3ncc(F)c(N4CCOCC4)n3)c2c1 ZINC000587873994 FF Annotated Anodyne COCCn1ncc(-n2nc3cc2oc2ccc(F)cc32)c(Cl)c1=O ZINC000587874098 FF Annotated Anodyne COc1ccc(NC(=O)C(=O)n2nc3cc2oc2ccc(F)cc32)cn1 ZINC000587874216 FF Annotated Anodyne C=C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)Cn1ccc(=N)[nH]1 ZINC000587874587 FF Annotated Mild CC(C)NS(=O)(=O)c1ccc(-n2nc3cc2oc2ccc(F)cc32)nc1 ZINC000587874704 FF Annotated Anodyne CNC(=O)c1c(C)[nH]c(C(=O)n2nc3cc2oc2ccc(F)cc32)c1C ZINC000587874763 FF Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(-n2nc3cc2oc2ccc(F)cc32)nc1 ZINC000587874803 FF Annotated Anodyne Cn1nc(C(=O)n2nc3cc2oc2ccc(F)cc32)c2ccccc2c1=O ZINC000587875155 FF Annotated Anodyne O=C1NC(n2nc3cc2oc2ccc(F)cc32)=NN/C1=C\c1ccccc1 ZINC000587875179 FF Annotated Anodyne O=C1NC(n2nc3cc2oc2ccc(F)cc32)=NN/C1=C/c1ccccc1 ZINC000587875183 FF Annotated Anodyne O=C(c1csc(N2CCOCC2)n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875363 FF Annotated Anodyne COc1nn(CCC(=O)n2nc3cc2oc2ccc(F)cc32)cc1[N+](=O)[O-] ZINC000587875473 FF Annotated Bother Cc1nn(CC(=O)n2nc3cc2oc2ccc(F)cc32)c(C)c1[N+](=O)[O-] ZINC000587875544 FF Annotated Bother O=C(Cn1nnc(-c2ccccc2)n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875701 FF Annotated Anodyne COc1nn([C@H](C)C(=O)n2nc3cc2oc2ccc(F)cc32)cc1[N+](=O)[O-] ZINC000587875890 FF Annotated Bother COc1nn([C@@H](C)C(=O)n2nc3cc2oc2ccc(F)cc32)cc1[N+](=O)[O-] ZINC000587875892 FF Annotated Bother C=C1C=C(C)N2N=C(C(=O)n3nc4cc3oc3ccc(F)cc43)NC2=N1 ZINC000587875901 FF Annotated Anodyne CCc1nnc2n1C[C@@H](C(=O)n1nc3cc1oc1ccc(F)cc31)CC2 ZINC000587876168 FF Annotated Anodyne CCc1nnc2n1C[C@H](C(=O)n1nc3cc1oc1ccc(F)cc31)CC2 ZINC000587876169 FF Annotated Anodyne CNS(=O)(=O)Cc1ccc(-n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587876268 FF Annotated Anodyne O=C(c1cnc(-n2nc3cc2oc2ccc(F)cc32)nc1)N1CCCC1 ZINC000587876574 FF Annotated Anodyne CC(C)Cn1[nH]c(CC(=O)n2nc3cc2oc2ccc(F)cc32)cc1=O ZINC000587876683 FF Annotated Anodyne Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(O)c1N ZINC000587876759 FF Annotated Mild O=C(c1ccn(Cn2cccn2)n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876871 FF Annotated Anodyne O=C1COc2ccccc2N1CC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587876992 FF Annotated Anodyne CN1CC(=O)N(CCCCC(=O)n2nc3cc2oc2ccc(F)cc32)C1=O ZINC000587877051 FF Annotated Anodyne N#Cc1cc(N)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N ZINC000587877946 FF Annotated Mild N#Cc1cc(N)c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878003 FF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CO)cc1O ZINC000587878446 FF Annotated Mild Nc1cc(CO)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878704 FF Annotated Mild N#Cc1ccc(NN)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879761 FF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CO)ccc1O ZINC000587879893 FF Annotated Mild N=c1[nH]c2[nH]ccc2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879995 FF Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)n1 ZINC000587880790 FF Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C#N)n1 ZINC000587880984 FF Annotated Mild COc1[nH]c(=N)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881407 FF Annotated Mild COc1c[nH]c(=N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587881425 FF Annotated Mild COc1ncc(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881521 FF Annotated Mild N=c1[nH][nH]c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 ZINC000587885304 FF Annotated Mild Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c[nH]c(=N)c1C#N ZINC000587885431 FF Annotated Mild COc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C#N ZINC000587885536 FF Annotated Mild C#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1N ZINC000587885644 FF Annotated Mild N=c1[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2[nH]1 ZINC000587886183 FF Annotated Mild N=c1[nH][nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587886868 FF Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1O ZINC000587887145 FF Annotated Mild COc1cc(O)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587887168 FF Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1N ZINC000587887199 FF Annotated Mild CN=c1cc(C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c[nH]1 ZINC000587887224 FF Annotated Mild COc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1O ZINC000587887325 FF Annotated Mild COc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N ZINC000587887446 FF Annotated Mild COc1cc(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887447 FF Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1C#N ZINC000587887676 FF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2[nH]cnc2c1 ZINC000587888243 FF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(=O)[nH]ccn2c1 ZINC000587888270 FF Annotated Mild Nc1nc[nH]c2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c1-2 ZINC000587888436 FF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(c1)CNCC2 ZINC000587888562 FF Annotated Mild COc1cnc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)c1 ZINC000587888827 FF Annotated Mild N=c1[nH][nH]c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c12 ZINC000587889075 FF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2c1C(=O)NC2 ZINC000587889133 FF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2c1CNC2=O ZINC000587889196 FF Annotated Mild COc1cc(N)cnc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889589 FF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2nc[nH]c2cn1 ZINC000587889732 FF Annotated Mild COc1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1N ZINC000587890047 FF Annotated Mild COC(=O)c1c[nH]c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587890324 FF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2cc[nH]c2n1 ZINC000587890352 FF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)c[nH]1 ZINC000587890435 FF Annotated Mild CCO[C@H]1OC(=O)C=C1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890801 FF Annotated Mild CCO[C@@H]1OC(=O)C=C1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890802 FF Annotated Mild Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n2ccnc12 ZINC000587890810 FF Annotated Mild CC[C@@H]1NC=NC=C1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890938 FF Annotated Mild CC[C@H]1NC=NC=C1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890942 FF Annotated Mild N=c1cc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccn2[nH]1 ZINC000587891064 FF Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=CC2=NC=NC(=O)C2=C1 ZINC000587891120 FF Annotated Mild Nc1cn2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc2n1 ZINC000587891287 FF Annotated Mild Cc1sc(=N)[nH]c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897410 FF Annotated Mild CN=c1[nH]c(C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587897710 FF Annotated Mild COC(=O)/C(Br)=C(/C#Cc1cc(Cl)ccc1OC)C=O ZINC000587898369 FF Annotated Reactive COC(=O)/C(Br)=C(\C#Cc1cc(Cl)ccc1OC)C=O ZINC000587898375 FF Annotated Reactive COC(=O)/C(C#Cc1cc(Cl)ccc1OC)=C(\Br)C=O ZINC000587898426 FF Annotated Reactive COC(=O)/C(C#Cc1cc(Cl)ccc1OC)=C(/Br)C=O ZINC000587898427 FF Annotated Reactive COc1ccc(Cl)cc1C#Cc1ccc(N2CC(=O)NCC2=O)c(C)c1 ZINC000587902071 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn(Cc2ncnn2C)c1C ZINC000587902332 FF Annotated Mild COC(=O)c1c(C#Cc2cc(Cl)ccc2OC)c(C)nc(O)c1C#N ZINC000587902409 FF Annotated Mild CC[C@@H](C(=O)NN)n1nc(C)c(C#Cc2cc(Cl)ccc2OC)c1C ZINC000587902637 FF Annotated Reactive CC[C@H](C(=O)NN)n1nc(C)c(C#Cc2cc(Cl)ccc2OC)c1C ZINC000587902638 FF Annotated Reactive COC(=O)c1[nH]c(=N)c(C#Cc2cc(Cl)ccc2OC)cc1Cl ZINC000587903724 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1C(=O)O)OCC(=O)N2 ZINC000587907179 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1[N+](=O)[O-])C(=O)NC2=O ZINC000587907426 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(=NCCn2ccnc2)[nH]c1 ZINC000587907829 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(=NCc2ccncc2)[nH]c1 ZINC000587908535 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(-c2ncnc3c2cnn3C)c1 ZINC000587909003 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(Cn2nc(C)c(N)c2C)c1 ZINC000587909206 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(Cc2cc(C(=O)O)no2)c1 ZINC000587909578 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc2c1NC(=O)C2=O ZINC000587910153 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1[nH]cc(Br)c(=N)c1N ZINC000587910871 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(CO)n(C)c1Br ZINC000587911226 FF Annotated Mild CCOC(=O)c1nn2c(c1C#Cc1cc(Cl)ccc1OC)OCCC2 ZINC000587911325 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)nc(CO)n1C ZINC000587911521 FF Annotated Mild COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)c2c(c1)nnn2C ZINC000587911690 FF Annotated Mild CCOC(=O)c1nn2cccnc2c1C#Cc1cc(Cl)ccc1OC ZINC000587911780 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C(=O)O)[nH]n(-c2ccccc2)c1=O ZINC000587912257 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2ccc(N3CCOCC3)nn12 ZINC000587912274 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1cn2ncnc2c(Br)n1 ZINC000587912465 FF Annotated Mild CCOC(=O)c1cn2cc(C#Cc3cc(Cl)ccc3OC)ncc2n1 ZINC000587912564 FF Annotated Mild CCOC(=O)c1nc2ncccn2c1C#Cc1cc(Cl)ccc1OC ZINC000587912722 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(Br)cn2ncnc12 ZINC000587912799 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1cn2c([N+](=O)[O-])cnc2c(OC)n1 ZINC000587912886 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(C)c(=O)c(Br)n1 ZINC000587913045 FF Annotated Mild COC(=O)c1nn(CC(F)F)cc1C#Cc1cc(Cl)ccc1OC ZINC000587915072 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C(=O)O)nn(C)c1OC(F)F ZINC000587915193 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(CN2CCNC(=O)C2)c(F)c1 ZINC000587916760 FF Annotated Mild CCn1c(=O)c(=O)[nH]c2cc(C#Cc3cc(Cl)ccc3OC)c(F)cc21 ZINC000587916836 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)nn(CCS(C)(=O)=O)c1C ZINC000587917430 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2[nH]c(=O)c(=O)[nH]c2c(F)c1F ZINC000587918071 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1c(S(=O)(=O)Cl)nn(C)c1C ZINC000587918143 FF Annotated Unstable COc1ccc(Cl)cc1C#Cc1cc(N)ccc1NS(C)(=O)=O ZINC000587918401 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1cncc2cccc(S(N)(=O)=O)c12 ZINC000587918422 FF Annotated Mild COc1ccc(C#Cc2cc(Cl)ccc2OC)c(CS(N)(=O)=O)c1 ZINC000587918525 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Cc2nnc(S)n2N)cc1 ZINC000587919320 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@]2(C)NC(=O)NC2=O)s1 ZINC000587920628 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@@]2(C)NC(=O)NC2=O)s1 ZINC000587920629 FF Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C(=O)N2CCNCC2)s1 ZINC000587920642 FF Annotated Mild N#Cc1ccc(-c2csc(-c3cccnc3N3CCNC(=O)C3)n2)cc1 ZINC000587921557 FF Annotated Mild O=C1CN(c2ncccc2-c2nc(-c3ccc(F)cc3)cs2)CCN1 ZINC000587922866 FF Annotated Anodyne CCN(c1ccc(-c2csc(/C(C#N)=C(/C)N)n2)cc1)S(C)(=O)=O ZINC000587922908 FF Annotated Reactive CCN(c1ccc(-c2csc(/C(C#N)=C(\C)N)n2)cc1)S(C)(=O)=O ZINC000587922918 FF Annotated Reactive CCN(c1ccc(-c2csc(COC(C)=O)n2)cc1)S(C)(=O)=O ZINC000587923537 FF Annotated Anodyne CCOC(=O)Cc1nc(-c2ccc(N(CC)S(C)(=O)=O)cc2)cs1 ZINC000587923586 FF Annotated Anodyne CC(C)OC(=O)Cc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000587923642 FF Annotated Anodyne CN(c1ccc(-c2csc(-c3cccnc3N)n2)cc1)S(C)(=O)=O ZINC000587923699 FF Annotated Anodyne CN(c1ccc(-c2csc(-c3ccc(=N)[nH]c3)n2)cc1)S(C)(=O)=O ZINC000587923705 FF Annotated Anodyne CC(C)OC(=O)Cc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 ZINC000587923767 FF Annotated Anodyne Cc1ccnn1CCc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000587924007 FF Annotated Anodyne Cc1ccn(CCc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)n1 ZINC000587924014 FF Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(Cc3nc(O)cs3)n2)cc1 ZINC000587924281 FF Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(-c3cnn4cccnc34)n2)cc1 ZINC000587924291 FF Annotated Anodyne O=C(O)c1cc(O)cc(-n2c(O)cc(-c3ccc([N+](=O)[O-])cc3)c2O)c1 ZINC000587924881 FF Annotated Bother COc1ccc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1OC ZINC000587925203 FF Annotated Bother COc1ccc(CCCc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1OC ZINC000587925348 FF Annotated Anodyne COc1cc(C2(c3nc4ccc(S(N)(=O)=O)cc4[nH]3)CC2)ccc1C ZINC000587926491 FF Annotated Anodyne COc1ccc(OC)c(-c2nc3c(S)nc(S)nc3[nH]2)c1OC ZINC000587926648 FF Annotated Anodyne CCOC(=O)c1cc(OCC)n(-c2cc(O)cc(C(=O)O)c2)c1OCC ZINC000587926807 FF Annotated Anodyne COc1cc(C2(c3nc4cccc(S(N)(=O)=O)c4[nH]3)CC2)ccc1C ZINC000587926997 FF Annotated Anodyne COc1ccc(OC)c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1OC ZINC000587927024 FF Annotated Anodyne COc1ccc(-c2ccc(-c3nc4c[nH]c(=N)[nH]c-4n3)c(O)c2)cc1OC ZINC000587927150 FF Annotated Anodyne COc1ccc(OC)c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1OC ZINC000587927439 FF Annotated Anodyne N[C@@H](CCOc1ccc(O)n1-c1ccc(O)c(-c2ccccc2)c1)C(=O)O ZINC000587927456 FF Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1OC ZINC000587927797 FF Annotated Anodyne COc1ccc(C[C@H](C)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1OC ZINC000587927809 FF Annotated Anodyne COc1ccc(CCCc2nc3ccc(-n4cnnn4)cc3[nH]2)c(OC)c1 ZINC000587928514 FF Annotated Anodyne COc1ccc(-c2ccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)cc2)cc1OC ZINC000587928519 FF Annotated Anodyne COc1ccccc1CC(=O)c1nc2cc(OCCN(C)C)ccc2[nH]1 ZINC000587928617 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c(CCCc3ccc(OC)cc3OC)nc12 ZINC000587928828 FF Annotated Anodyne COC(=O)c1cc2nc(C(=O)Cc3ccccc3OC)[nH]c2cc1OC ZINC000587928915 FF Annotated Anodyne COc1ccccc1CC(=O)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587929430 FF Annotated Bother COC(=O)c1ccc2nc(CCCc3ccc(OC)cc3OC)[nH]c2n1 ZINC000587929621 FF Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587930645 FF Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587930653 FF Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587930655 FF Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587930657 FF Annotated Anodyne COc1cccc(CCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 ZINC000587931824 FF Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4c(O)nc(O)nc4[nH]3)c2)c1 ZINC000587932576 FF Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587932603 FF Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587932605 FF Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587932607 FF Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587932609 FF Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4c(O)nc(O)nc4[nH]3)c2)c1 ZINC000587932734 FF Annotated Anodyne COC(=O)c1ccc2[nH]c(C(=O)Cc3ccccc3OC)nc2c1OC ZINC000587932748 FF Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587933938 FF Annotated Anodyne COC(=O)Cc1cc(OC)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1OC ZINC000587934432 FF Annotated Anodyne COc1ccc(C2(c3nc4c(O)nc(=N)[nH]c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934850 FF Annotated Anodyne COc1ccc(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587935360 FF Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587935728 FF Annotated Anodyne COC(=O)Cc1cc(OC)n(-c2c(N)cccc2Br)c1OC ZINC000587936154 FF Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000587936414 FF Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000587936417 FF Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000587936419 FF Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000587936423 FF Annotated Anodyne O=C(O)CCc1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O ZINC000587936461 FF Annotated Anodyne O=C(O)CCc1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O ZINC000587936513 FF Annotated Bother COC(=O)c1cc(OC)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1OC ZINC000587936529 FF Annotated Anodyne COC(=O)c1cc(OC)n(-c2c(N)cccc2Br)c1OC ZINC000587937051 FF Annotated Anodyne COC(=O)Cc1cc(OC)n(-c2cccc(Br)c2N)c1OC ZINC000587937720 FF Annotated Anodyne Cc1cc(O)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O ZINC000587937800 FF Annotated Anodyne C=C(C(=O)O)c1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O ZINC000587937848 FF Annotated Bother COC(=O)c1cc(OC)n(-c2cccc(Br)c2N)c1OC ZINC000587937861 FF Annotated Anodyne C=C(C(=O)O)c1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O ZINC000587938273 FF Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000587938658 FF Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000587938659 FF Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000587938660 FF Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000587938661 FF Annotated Anodyne O=C(O)Cc1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O ZINC000587939184 FF Annotated Anodyne CCOc1cc(C=O)c(OCC)n1-c1cnc(C)c(Br)n1 ZINC000587939387 FF Annotated Anodyne C=C(C(=O)O)c1cc(O)n(-c2cc(OCC)c(C(=O)O)cc2Cl)c1O ZINC000587939514 FF Annotated Anodyne CN(C)[C@H](Cn1c(O)cc(C(=O)O)c1O)c1cccc(Br)c1 ZINC000587939718 FF Annotated Anodyne CN(C)[C@@H](Cn1c(O)cc(C(=O)O)c1O)c1cccc(Br)c1 ZINC000587939719 FF Annotated Anodyne CC(=O)SCc1cc(O)n(-c2cnc(C)c(Br)n2)c1O ZINC000587939857 FF Annotated Anodyne CCOc1cc(C=O)c(OCC)n1-c1c[nH]cc(Br)c1=O ZINC000587939960 FF Annotated Anodyne COC(=O)c1cc(OC)n(NCc2ccccc2Br)c1OC ZINC000587939988 FF Annotated Anodyne Nc1ccc(-c2cc(O)n(-c3c[nH]cc(Br)c3=O)c2O)cc1 ZINC000587940075 FF Annotated Anodyne C=C(C(=O)O)c1cc(O)n(NCc2ccccc2Br)c1O ZINC000587940347 FF Annotated Anodyne C=C(C)C(=O)OCCOc1ccc(O)n1-c1ccnc(Br)c1 ZINC000587940455 FF Annotated Mild COc1cc(C)c(OC)n1-c1nn(-c2ncccn2)cc1Br ZINC000587940536 FF Annotated Anodyne O=C1Cc2c3c(n(-c4cc(Cl)cc(Br)c4)c2O1)OC(=O)C3 ZINC000587941023 FF Annotated Anodyne CCOc1cc(C(C)=O)c(OCC)n1-c1c[nH]cc(Br)c1=O ZINC000587941453 FF Annotated Anodyne Cc1ncc(-n2c(O)cc(-c3ccc(N)cc3)c2O)nc1Br ZINC000587941474 FF Annotated Anodyne CCOC(=O)c1cc(OCC)n(-c2ccnc(CCl)n2)c1OCC ZINC000587941965 FF Annotated Reactive CCOc1cc(-n2c(O)cc(CCC(=O)O)c2O)c(Cl)cc1C(=O)O ZINC000587942187 FF Annotated Anodyne O=c1c(Br)c[nH]cc1-n1c(O)cc(Cc2ccccc2)c1O ZINC000587942227 FF Annotated Anodyne COc1cc(C(C)=O)c(OC)n1-c1cc(C(=O)O)ncc1Br ZINC000587942303 FF Annotated Anodyne O=C(O)CCc1cc(O)n(-c2cc(F)c(Br)cc2F)c1O ZINC000587944067 FF Annotated Anodyne CC(=O)SCc1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O ZINC000587945071 FF Annotated Anodyne COC(=O)c1cc(OC)n([C@H](COc2cc(F)cc(F)c2)N=O)c1OC ZINC000587945292 FF Annotated Anodyne COC(=O)c1cc(OC)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1OC ZINC000587945295 FF Annotated Anodyne C=C(C(=O)O)c1cc(O)n(-c2cc(C)n(Cc3ccccc3F)n2)c1O ZINC000587945357 FF Annotated Anodyne O=C(O)c1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O ZINC000587945690 FF Annotated Anodyne COC(=O)c1cc(OC)n(-c2cc(C)n(Cc3ccccc3F)n2)c1OC ZINC000587945899 FF Annotated Anodyne COC(=O)c1cc(OC)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1OC ZINC000587945993 FF Annotated Anodyne C=C(C(=O)O)c1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O ZINC000587946028 FF Annotated Anodyne O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)cc(CCC(=O)O)c1O ZINC000587946209 FF Annotated Anodyne O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)cc(CCC(=O)O)c1O ZINC000587946211 FF Annotated Anodyne C=C(C)C(=O)OCCOc1ccc(O)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587946248 FF Annotated Mild C=C(C(=O)O)c1cc(O)n([C@H](COc2cc(F)cc(F)c2)N=O)c1O ZINC000587946538 FF Annotated Anodyne C=C(C(=O)O)c1cc(O)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1O ZINC000587946546 FF Annotated Anodyne Cc1cc(-n2c(O)cc(CCC(=O)O)c2O)nn1Cc1ccccc1F ZINC000587946567 FF Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3ccc(-n4cnnn4)cc3[nH]2)CC1 ZINC000587950271 FF Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3ccc(-n4cnnn4)cc3[nH]2)CC1 ZINC000587950274 FF Annotated Anodyne NS(=O)(=O)c1cccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587950361 FF Annotated Anodyne NS(=O)(=O)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 ZINC000587950368 FF Annotated Anodyne COC(=O)c1ccnc2[nH]c(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)nc12 ZINC000587950372 FF Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(C(N)=O)cc4[nH]1)(C3)C2 ZINC000587950448 FF Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(O)nc(S)nc4[nH]1)(C3)C2 ZINC000587951047 FF Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4[nH]c(=N)[nH]c(Cl)c-4n1)(C3)C2 ZINC000587951061 FF Annotated Anodyne COC(=O)c1ccc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2n1 ZINC000587951338 FF Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CC1 ZINC000587951682 FF Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CC1 ZINC000587951686 FF Annotated Anodyne COC(=O)c1cc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2cn1 ZINC000587951736 FF Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)CC1 ZINC000587951882 FF Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)CC1 ZINC000587951884 FF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CC(C)(C)CC(=O)O)[nH]c2c1 ZINC000587954951 FF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CC(C)(C)CC(=O)O)[nH]c2c1 ZINC000587954955 FF Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2cc(I)cnc2[nH]1 ZINC000587955517 FF Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587956097 FF Annotated Anodyne CC(C)(CC(=O)O)Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587956379 FF Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 ZINC000587956524 FF Annotated Anodyne CC[C@@]1(Cc2nc3ccc(C(=O)NN)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959749 FF Annotated Reactive CC[C@]1(Cc2nc3ccc(C(=O)NN)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959750 FF Annotated Reactive O=C(O)Cc1ccc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000587960270 FF Annotated Bother CC[C@@]1(Cc2nc3nc(C#N)c(C#N)nc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960348 FF Annotated Mild CC[C@]1(Cc2nc3nc(C#N)c(C#N)nc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960355 FF Annotated Mild CCOC(=O)Cc1ccc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2c1 ZINC000587961012 FF Annotated Anodyne COC(=O)c1ccc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2c1OC ZINC000587961679 FF Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(I)cnc2[nH]1 ZINC000587961910 FF Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(I)cnc2[nH]1 ZINC000587961911 FF Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(I)cnc2[nH]1 ZINC000587961912 FF Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(I)cnc2[nH]1 ZINC000587961913 FF Annotated Anodyne C[C@H](CCc1nc2cc(I)cnc2[nH]1)CC(=O)O ZINC000587962345 FF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@H](C)CCC(=O)O)[nH]c2c1 ZINC000587962580 FF Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2cc(I)cnc2[nH]1 ZINC000587963134 FF Annotated Anodyne C[C@H](CCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)CC(=O)O ZINC000587963161 FF Annotated Anodyne C[C@H](CCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)CC(=O)O ZINC000587963183 FF Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587963251 FF Annotated Anodyne C[C@H](CCC(=O)O)Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587963401 FF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CC[C@@H](C)CC(=O)O)[nH]c2c1 ZINC000587963427 FF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H](C)CCC(=O)O)[nH]c2c1 ZINC000587963480 FF Annotated Anodyne C[C@@H]1C(=O)CC[C@H]1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587963510 FF Annotated Anodyne C[C@H]1C(=O)CC[C@@H]1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587963511 FF Annotated Anodyne C[C@@H]1C(=O)CC[C@@H]1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587963512 FF Annotated Anodyne C[C@H]1C(=O)CC[C@H]1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587963513 FF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@H]3CCC(=O)[C@@H]3C)[nH]c2c1 ZINC000587963673 FF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c2c1 ZINC000587963674 FF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@H]3CCC(=O)[C@H]3C)[nH]c2c1 ZINC000587963675 FF Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c2c1 ZINC000587963676 FF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H]3CCC(=O)[C@@H]3C)[nH]c2c1 ZINC000587963836 FF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c2c1 ZINC000587963837 FF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H]3CCC(=O)[C@H]3C)[nH]c2c1 ZINC000587963838 FF Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c2c1 ZINC000587963839 FF Annotated Anodyne COC(=O)c1cc(Br)c2nc(/C=C/C=C\C(=O)O)[nH]c2c1 ZINC000587964631 FF Annotated Anodyne COC(=O)c1cc(Br)c2nc(/C=C/C=C/C(=O)O)[nH]c2c1 ZINC000587964632 FF Annotated Anodyne C[C@@H]1CC=CC[C@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587970435 FF Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587970620 FF Annotated Anodyne O=C(O)[C@H]1C(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@@H]1C(=O)O ZINC000587970621 FF Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@H]1C(=O)O ZINC000587970622 FF Annotated Anodyne CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1C(=O)[C@@H]2O ZINC000059025340 FF Annotated Clean CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@H]1C(=O)[C@H]2O ZINC000059025350 FF Annotated Clean O=C([C@H]1C[C@@H]1c1ccc(-c2cncnc2)cc1)N1CCN(C2CCC2)CC1 ZINC000059050741 FF Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1cc(=O)c(OC)ccc1CC[C@@H]2N ZINC000059066538 FF Annotated Anodyne in-vitro NC(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1 ZINC000059114800 FF Annotated Anodyne COc1cc(C/N=C(\S)N/N=C(/C)c2ccccn2)cc(OC)c1OC ZINC000059136590 FF Annotated Mild C=C(C)[C@H]1Cc2cc(C(=O)C(=O)c3cc4c(cc3O)OCO4)c(O)cc2O1 ZINC000059204750 FF Annotated Mild C/C=C1/C=[N+]2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@@H](C=O)C(=O)OC ZINC000059207129 FF Annotated Mild in-vitro C/C=C1/C=[N+]2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@H](C=O)C(=O)OC ZINC000059207131 FF Annotated Mild in-vitro O=C1O[C@H](c2ccc3c(c2)OCO3)[C@H]2CO[C@H](c3ccc4c(c3)OCO4)[C@@H]12 ZINC000059281574 FF Annotated Anodyne OCCCc1ccc2c(N[C@H]3CCNC3)nc(-c3ccccc3O)nc2c1 ZINC000059283052 FF Annotated Anodyne Cc1occc1C(=O)CC[C@H]1[C@H](C(=O)O)CC=C2C[C@@H](O)[C@H](O)C[C@@]21C ZINC000059586360 FF Annotated Anodyne in-vitro biogenic O=C1O[C@@H](c2ccc3c(c2)OCO3)[C@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]12 ZINC000059587893 FF Annotated Anodyne in-vitro biogenic COC(=O)O[C@H]1Oc2ccccc2-c2c1oc1cc(O)c(O)c(O)c1c2=O ZINC000059729338 FF Annotated Anodyne COC(=O)O[C@@H]1Oc2ccccc2-c2c1oc1cc(O)c(O)c(O)c1c2=O ZINC000059729340 FF Annotated Anodyne CC(C)[C@@]12C[C@H](O)C(=O)[C@@H]3[C@@]4(C)CCC[C@](C)(C(=O)O)[C@@H]4CC[C@]31O2 ZINC000059779061 FF Annotated Anodyne CC(C)[C@@]12C[C@@H](O)C(=O)[C@@H]3[C@@]4(C)CCC[C@](C)(C(=O)O)[C@@H]4CC[C@]31O2 ZINC000059779064 FF Annotated Anodyne COCCNC(=O)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]12 ZINC000059888801 FF Annotated Clean COCCNC(=O)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]21 ZINC000059888804 FF Annotated Clean CO[C@@H]1CC[C@@]2(C)[C@@H]3[C@@H](CC[C@@H]2C1)[C@H]1CC[C@@H](NCCN)[C@]1(C)C[C@H]3O ZINC000059901695 FF Annotated Anodyne aggregator CO[C@@H]1CC[C@@]2(C)[C@H]3[C@H](O)C[C@@]4(C)[C@H](NCCN)CC[C@@H]4[C@H]3CC[C@@H]2C1 ZINC000059901702 FF Annotated Anodyne aggregator O=C(N/N=C(COc1ccccc1)\N=C\c1ccncc1)c1ccncc1 ZINC000006004597 FF Annotated Reactive O=C(N/N=C(COc1ccccc1)\N=C\c1cccnc1)c1ccncc1 ZINC000006004627 FF Annotated Reactive CC[C@H](C)NC(=O)COC(=O)Cc1sc(N)nc1-c1ccc(C)cc1 ZINC000006005120 FF Annotated Anodyne COc1ccc(C(c2ccc(OC)cc2)N2C(=O)CC[C@@H]2C(=O)O)cc1 ZINC000006005677 FF Annotated Anodyne COC(=O)[C@H]1CCC(=O)N1C(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000006005702 FF Annotated Anodyne COc1ccc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)cc1OC ZINC000006006551 FF Annotated Anodyne COC(=O)CCc1ccc2c(c1)[C@H](C(=O)OC)[C@@H](c1ccc(O)cc1)O2 ZINC000006006629 FF Annotated Anodyne NN/C(=N\S(=O)(=O)c1cc2ccccc2o1)Nc1ccc(Cl)cc1 ZINC000006010077 FF Annotated Mild CN1CC[C@H](c2cn(S(=O)(=O)c3ccc(N)cc3)c3ccccc23)C1 ZINC000006013356 FF Annotated Anodyne CC1(C)CN=C2N(C1)c1ccccc1[C@]2(NS(C)(=O)=O)c1ccccc1 ZINC000006013443 FF Annotated Anodyne COc1cccc(OCC(=O)N/N=C(/C)C/C(O)=N\Cc2ccco2)c1 ZINC000006013933 FF Annotated Reactive COc1cc(OC)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@@H]1C=CO[C@@H]1O3 ZINC000006017663 FF Annotated Clean COc1cc2c(cc1OC)-c1c(O)c(OC)c(OC)c3c1[C@H](C2)NCC3 ZINC000006017807 FF Annotated Anodyne COc1cc(Br)cc2c1O[C@H]1C(=O)C[C@H]3C[C@@]21CCN3C ZINC000006018034 FF Annotated Anodyne O=C1N[C@H]2C(=O)c3c(Br)sc(Br)c3[C@H]2O1 ZINC000006018459 FF Annotated Anodyne COc1cc2c(cc1OC)C1=[N+](CC2)Cc2c(ccc(OC)c2OC)C1 ZINC000006018942 FF Annotated Anodyne O=C1O[C@H](c2ccc3c(c2)OCO3)[C@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]12 ZINC000006019734 FF Annotated Anodyne C[C@@H]1CC(=O)[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000006030666 FF Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)C3=CCC[C@H]([C@@]14C[C@H](c1ccoc1)OC4=O)[C@]32CO ZINC000006031426 FF Annotated Anodyne COC(=O)C1=NN2c3ccccc3CN([C@@H](C)c3ccccc3)C(=O)[C@@H]2C1 ZINC000006040252 FF Annotated Anodyne COc1ccc(OCC(=O)N/N=C(\CCC(=O)O)c2cccs2)cc1 ZINC000006046408 FF Annotated Reactive C/C(=N\OCc1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000006046901 FF Annotated Mild O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006062258 FF Annotated Bother Cc1cc(=O)c2c(O)c3c(c(C[C@H](O)C(C)(C)O)c2o1)OC(C)(C)C=C3 ZINC000006069568 FF Annotated Anodyne Cc1cc(=O)c2c(O)c3c(c(C[C@@H](O)C(C)(C)O)c2o1)OC(C)(C)C=C3 ZINC000006069569 FF Annotated Anodyne Cc1ccn2cc(-c3ccc(/C=N/NC(=N)N4CCCC4)cc3)[n+](C)c2c1 ZINC000006070545 FF Annotated Mild C[n+]1c(/C=C/c2ccc(/C=N/NC(=N)N3CCCC3)cc2)cn2ccccc21 ZINC000006072350 FF Annotated Mild N[C@@H]1CSCON2CCc3c([nH]c4ccc(Br)cc34)[C@H]12 ZINC000006093959 FF Annotated Anodyne O=C(N/C(=C\C=C/c1ccccc1)C(=O)N1CCOCC1)c1ccccc1 ZINC000006111030 FF Annotated Anodyne CC(C)COc1ccc(C2=c3ccccc3=NC(c3cccnc3)=NN2)cc1 ZINC000006134901 FF Annotated Anodyne CCNC(=O)NS(=O)(=O)c1cnccc1Sc1cccc(C)c1 ZINC000006184430 FF Annotated Anodyne O=C(NC(=S)/N=c1/[nH]c2ccccc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000006244216 FF Annotated Bother CC1CCN(C(=O)c2cccc3c2-c2ccccc2/C3=N\NC(N)=O)CC1 ZINC000006308195 FF Annotated Reactive O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000006333412 FF Annotated Bother COc1cc(COC(=O)c2cnc(C)cn2)c(OC)cc1Br ZINC000006348372 FF Annotated Anodyne COc1cc(C2=NN(C)[C@H](c3ccc([N+](=O)[O-])o3)C2)cc(OC)c1OC ZINC000006378789 FF Annotated Bother CCCOn1c(Sc2cc(F)cc(F)c2)c(C(C)C)c(=O)[nH]c1=O ZINC000006380743 FF Annotated Anodyne COc1c(O)c2c3c4c1cc(O)cc4c(=O)cc-3c1c(O)cccc1c2=O ZINC000006403365 FF Annotated Bother C=Cc1cc(C(=O)OCC)n(S(=O)(=O)c2cc(Cl)ccc2N)c1 ZINC000006403678 FF Annotated Anodyne C[C@@H]1CC(=O)[C@]2(C)[C@]3(C)O[C@@H]3CC[C@]2(O)[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000006437664 FF Annotated Anodyne C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@@]5(C)CCC[C@@]4(CN(CCO)C5=O)[C@@H]3C2)[C@@H]1O ZINC000006442327 FF Annotated Mild C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)C(=O)O ZINC000006443165 FF Annotated Anodyne C[C@@H]1C[C@@H]([C@H](O)CC2CC(=O)N(Cc3ccccc3)C(=O)C2)[C@H](O)[C@H](C)C1 ZINC000006481606 FF Annotated Anodyne CN1N(c2ccccc2)C(=O)C2=NC=C(C(=O)c3ccccc3)C(=N)[C@@]21C ZINC000006499905 FF Annotated Anodyne CC(=O)N=[S@@](C)(=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 ZINC000060168476 FF Annotated Bother Nc1c(Br)c([C@@H]2CCCNC2)nc2c(-c3ccoc3)cnn12 ZINC000060328034 FF Annotated Anodyne Nc1c(Br)c([C@H]2CCCNC2)nc2c(-c3ccoc3)cnn12 ZINC000060328035 FF Annotated Anodyne CCOC(=O)c1cnc2nc(SCc3ccccc3Cl)nn2c1O ZINC000061688113 FF Annotated Anodyne Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5ccccc54)[C@@H]3N2C)o1 ZINC000061711218 FF Annotated Anodyne Cc1ccc(CNC(=O)[C@H]2C[C@@H]3Cn4c(nc5ccccc54)[C@@H]3N2C)o1 ZINC000061711219 FF Annotated Anodyne CCC[C@@H](c1nnnn1C1CCCCC1)N1CCN(c2ncccn2)CC1 ZINC000061852969 FF Annotated Anodyne CCC[C@H](c1nnnn1C1CCCCC1)N1CCN(c2ncccn2)CC1 ZINC000061852971 FF Annotated Anodyne CC1=Nc2nc(-c3ccccc3Cl)nn2[C@@H](c2ccccn2)[C@H]1C(N)=O ZINC000061878090 FF Annotated Anodyne CC1=Nc2nc(-c3ccccc3Cl)nn2[C@H](c2ccccn2)[C@H]1C(N)=O ZINC000061878091 FF Annotated Anodyne O=C(NCc1cc(Cl)cc(Cl)c1)c1csc(COCCO)n1 ZINC000061895665 FF Annotated Anodyne CCCC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000061895759 FF Annotated Anodyne CCCC(=O)N1CCC[C@]1(C)C(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000061895760 FF Annotated Anodyne CC(=O)NCCNc1nc2cc(-c3cc(F)ccc3C)sc2c(=O)n1C ZINC000061896023 FF Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@@](C)(C(=O)NC(C)C)O3)c1 ZINC000061896193 FF Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@](C)(C(=O)NC(C)C)O3)c1 ZINC000061896194 FF Annotated Anodyne COCCNC(=O)[C@H]1CCCN(C(=O)c2oc3ccccc3c2C)CC1 ZINC000061896295 FF Annotated Anodyne COCCNC(=O)[C@@H]1CCCN(C(=O)c2oc3ccccc3c2C)CC1 ZINC000061896296 FF Annotated Anodyne CCOC(=O)[C@]1(C)CCN1C(=O)c1cc(OC)ccc1Br ZINC000061896872 FF Annotated Anodyne CCOC(=O)[C@@]1(C)CCN1C(=O)c1cc(OC)ccc1Br ZINC000061896873 FF Annotated Anodyne CC(=O)NCCNc1nc2cc(-c3ccc(C)cc3)sc2c(=O)n1C ZINC000061897645 FF Annotated Anodyne Cn1c(=O)c2cc(NC(=S)NC3CC3)ccc2n1Cc1ccccc1 ZINC000061897694 FF Annotated Anodyne COc1ccccc1Cn1c(C)c(C(=O)NCc2ccco2)sc1=O ZINC000061897756 FF Annotated Anodyne CCCCNC(=O)[C@]1(C)CCN1C(=O)c1ccccc1Br ZINC000061902286 FF Annotated Anodyne CCCCNC(=O)[C@@]1(C)CCN1C(=O)c1ccccc1Br ZINC000061902287 FF Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)[C@@H]1Cc2c(-c3ccncc3)ccnc2O1 ZINC000061902411 FF Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)[C@H]1Cc2c(-c3ccncc3)ccnc2O1 ZINC000061902413 FF Annotated Anodyne CCCCNC(=O)[C@]1(C)CCN1C(=O)c1ccc(C(F)(F)F)nc1C ZINC000061902733 FF Annotated Anodyne CCCCNC(=O)[C@@]1(C)CCN1C(=O)c1ccc(C(F)(F)F)nc1C ZINC000061902734 FF Annotated Anodyne COc1cncc(-c2cnc3sc(NCCc4ccccn4)nn23)c1 ZINC000061902940 FF Annotated Anodyne CCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc(C(F)(F)F)nc2C)C1 ZINC000061903019 FF Annotated Anodyne CCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(C(F)(F)F)nc2C)C1 ZINC000061903020 FF Annotated Anodyne COc1cc(OC)nc(Nc2nc([C@H](N)Cc3ccccc3)cs2)n1 ZINC000061903028 FF Annotated Anodyne COc1cc(OC)nc(Nc2nc([C@@H](N)Cc3ccccc3)cs2)n1 ZINC000061903029 FF Annotated Anodyne C[C@]1(C(=O)Nc2ccc3c(c2)OCO3)CCN1Cc1cccc2c1OCO2 ZINC000061903079 FF Annotated Anodyne C[C@@]1(C(=O)Nc2ccc3c(c2)OCO3)CCN1Cc1cccc2c1OCO2 ZINC000061903080 FF Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)[C@H]1Cc2c(-c3cccnc3)ccnc2O1 ZINC000061903145 FF Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)[C@@H]1Cc2c(-c3cccnc3)ccnc2O1 ZINC000061903146 FF Annotated Anodyne COc1cc(CN2C(=O)[C@@H](C)ON=C2c2ccccc2F)cc(OC)c1 ZINC000061903614 FF Annotated Anodyne COc1cc(CN2C(=O)[C@H](C)ON=C2c2ccccc2F)cc(OC)c1 ZINC000061903615 FF Annotated Anodyne CCOCCC(=O)Nc1ccc2c(c1)c(=O)n(C)n2-c1ccccc1F ZINC000061903751 FF Annotated Anodyne COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000061904083 FF Annotated Anodyne COCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000061904084 FF Annotated Anodyne CC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)NCc2ccncc2)O3)c1 ZINC000061904253 FF Annotated Anodyne CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)NCc2ccncc2)O3)c1 ZINC000061904254 FF Annotated Anodyne CCNC(=O)[C@]1(C)CCN1CCC(=O)c1ccc(Br)cc1 ZINC000061904462 FF Annotated Anodyne CCNC(=O)[C@@]1(C)CCN1CCC(=O)c1ccc(Br)cc1 ZINC000061904463 FF Annotated Anodyne CC(=O)c1ccc(OCc2nnn(CC(=O)O)c2-c2ccccc2)cc1 ZINC000061904674 FF Annotated Anodyne C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1C(=O)CC1CCCC1 ZINC000061904998 FF Annotated Anodyne C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1C(=O)CC1CCCC1 ZINC000061904999 FF Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@H](C(=O)NCC2CC2)O3)c1 ZINC000061905089 FF Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)NCC2CC2)O3)c1 ZINC000061905090 FF Annotated Anodyne CCCCC(=O)N(C)c1c(CC)nc2c(OCC(=O)N(C)C)cccn12 ZINC000061905401 FF Annotated Anodyne CSc1ccc(NC(=O)[C@]2(C)CCN2C(=O)c2cc(C)n(C)n2)cc1 ZINC000061905496 FF Annotated Anodyne CSc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)c2cc(C)n(C)n2)cc1 ZINC000061905497 FF Annotated Anodyne NC(=O)c1cccc(Nc2nc([C@@H](N)COCc3ccccc3)cs2)n1 ZINC000061905900 FF Annotated Anodyne NC(=O)c1cccc(Nc2nc([C@H](N)COCc3ccccc3)cs2)n1 ZINC000061905901 FF Annotated Anodyne Cc1cc(C(=O)N2CC[C@@]2(C)C(=O)Nc2cccc3c2CCCC3)nn1C ZINC000061906134 FF Annotated Anodyne Cc1cc(C(=O)N2CC[C@]2(C)C(=O)Nc2cccc3c2CCCC3)nn1C ZINC000061906135 FF Annotated Anodyne CC(=O)NCCNc1nc2cc(-c3ccccc3C)sc2c(=O)n1C ZINC000061906405 FF Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@H](C(=O)NCC2CC2)O3)cc1 ZINC000061906624 FF Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@@H](C(=O)NCC2CC2)O3)cc1 ZINC000061906625 FF Annotated Anodyne COC(=O)c1ccc(C(=O)N2CCCCC[C@@]2(C)C(=O)NC(C)C)cc1 ZINC000061907037 FF Annotated Anodyne COC(=O)c1ccc(C(=O)N2CCCCC[C@]2(C)C(=O)NC(C)C)cc1 ZINC000061907038 FF Annotated Anodyne COc1cc(NC(=O)[C@]2(C)CCCN2C(=O)C(C)C)cc(OC)c1OC ZINC000061907332 FF Annotated Anodyne COc1cc(NC(=O)[C@@]2(C)CCCN2C(=O)C(C)C)cc(OC)c1OC ZINC000061907333 FF Annotated Anodyne CCCCNC(=O)c1ccc2nc(CC)c(N(CC)CCN(C)C)n2c1 ZINC000061908317 FF Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@@](C)(C(=O)NCC2CC2)O3)c1 ZINC000061908509 FF Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@](C)(C(=O)NCC2CC2)O3)c1 ZINC000061908510 FF Annotated Anodyne CCCC(=O)N1CCC[C@@]1(C)C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000061908598 FF Annotated Anodyne CCCC(=O)N1CCC[C@]1(C)C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000061908599 FF Annotated Anodyne CC(C)CNC(=O)[C@]1(C)CCCN1C(=O)c1cncc(Br)c1 ZINC000061908875 FF Annotated Anodyne CC(C)CNC(=O)[C@@]1(C)CCCN1C(=O)c1cncc(Br)c1 ZINC000061908876 FF Annotated Anodyne CC(C)NC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1Br ZINC000061908902 FF Annotated Anodyne CC(C)NC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1Br ZINC000061908903 FF Annotated Anodyne CCC[C@H]1NC(=O)c2cccnc2-n2c1nc1cc(F)c(F)cc1c2=O ZINC000061921365 FF Annotated Anodyne CCC[C@@H]1NC(=O)c2cccnc2-n2c1nc1cc(F)c(F)cc1c2=O ZINC000061921366 FF Annotated Anodyne CC(C)C[C@H]1NC(=O)c2cccnc2-n2c1nc1cc(F)c(F)cc1c2=O ZINC000061921409 FF Annotated Anodyne CC(C)C[C@@H]1NC(=O)c2cccnc2-n2c1nc1cc(F)c(F)cc1c2=O ZINC000061921410 FF Annotated Anodyne COc1ccc2nc3n(c(=O)c2c1)-c1ncccc1C(=O)N[C@@H]3CC(C)C ZINC000061921413 FF Annotated Anodyne COc1ccc2nc3n(c(=O)c2c1)-c1ncccc1C(=O)N[C@H]3CC(C)C ZINC000061921414 FF Annotated Anodyne CC(C)C[C@H]1NC(=O)c2cccnc2-n2c1nc1cc(F)ccc1c2=O ZINC000061921415 FF Annotated Anodyne CC(C)C[C@@H]1NC(=O)c2cccnc2-n2c1nc1cc(F)ccc1c2=O ZINC000061921416 FF Annotated Anodyne O=C1N[C@H](Cc2ccccc2)c2nc3ccccc3c(=O)n2-c2ncccc21 ZINC000061921468 FF Annotated Anodyne O=C1N[C@@H](Cc2ccccc2)c2nc3ccccc3c(=O)n2-c2ncccc21 ZINC000061921469 FF Annotated Anodyne CNC(=O)C[C@H]1C(=O)N(CCc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000061923227 FF Annotated Anodyne CNC(=O)C[C@H]1C(=O)N(c2ccc(OC)cc2)C[C@@H]1Cc1ccccc1 ZINC000061923229 FF Annotated Anodyne CCC[C@H]1CN(c2ccc(Br)cc2)C(=O)[C@@H]1CC(=O)NC ZINC000061923236 FF Annotated Anodyne CNC(=O)C[C@H]1C(=O)N(c2ccc(Br)cc2)C[C@@H]1CSC ZINC000061923628 FF Annotated Anodyne CN[C@H]1C[C@H]2c3cc(-c4ccccc4)ccc3CCN2C(=O)[C@H]1[C@H](C)O ZINC000061923983 FF Annotated Anodyne CCNC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1ccccc1Br ZINC000061924028 FF Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N2Cc3ccccc3-n3nncc3C2)c(C)c1 ZINC000061924135 FF Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1Cc2ccccc2-n2nncc2C1 ZINC000061924176 FF Annotated Anodyne CC(=O)c1ccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)c(C)c1 ZINC000061924248 FF Annotated Anodyne O=S1(=O)N[C@@H](c2ccccc2)COc2cc(Br)ccc21 ZINC000061924265 FF Annotated Anodyne OCCN1CCN(c2cc(-c3ccc4ccccc4c3)nc3ccnn23)CC1 ZINC000061925678 FF Annotated Anodyne CC[C@@H](CO)Nc1ccn2nc(-c3cc(OC)c(OC)c(OC)c3)cc2n1 ZINC000061925713 FF Annotated Anodyne CC[C@H](CO)Nc1ccn2nc(-c3cc(OC)c(OC)c(OC)c3)cc2n1 ZINC000061925714 FF Annotated Anodyne O=C(Nc1cccc2ccccc12)c1csc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1 ZINC000061926634 FF Annotated Anodyne COCCNC(=O)[C@@]1(C)CCCN(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000061927066 FF Annotated Anodyne COCCNC(=O)[C@]1(C)CCCN(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000061927067 FF Annotated Anodyne COCCCNc1ccn2nc(-c3cc(OC)c(OC)c(OC)c3)cc2n1 ZINC000061927139 FF Annotated Anodyne O=C1NCCN1CCNc1nc(NCc2ccccc2)nc2ccsc12 ZINC000061927183 FF Annotated Anodyne COc1cc(CN2C(=O)[C@@H](C)ON=C2c2ncccc2C)cc(OC)c1 ZINC000061927873 FF Annotated Anodyne COc1cc(CN2C(=O)[C@H](C)ON=C2c2ncccc2C)cc(OC)c1 ZINC000061927875 FF Annotated Anodyne COCCCNC(=O)c1cccc2c(-c3cccc(C(N)=O)c3)coc12 ZINC000061927965 FF Annotated Anodyne COc1ccc(C(C)=O)cc1CN1C(=O)[C@@H](C)ON=C1c1ncccc1C ZINC000061928659 FF Annotated Anodyne COc1ccc(C(C)=O)cc1CN1C(=O)[C@H](C)ON=C1c1ncccc1C ZINC000061928660 FF Annotated Anodyne CN(C)CCCNc1nc2cc(-c3ccccc3CO)sc2c(=O)n1C ZINC000061929314 FF Annotated Anodyne Cn1c(=O)c2cc(NC(=S)NC3CC3)ccc2n1Cc1ccc(F)cc1 ZINC000061929567 FF Annotated Anodyne CCc1nc2ccc(C(=O)N3CCN(C)CC3)cn2c1N(C)CCC(C)C ZINC000061929938 FF Annotated Anodyne CC(=O)NCCNc1nc2cc(-c3cscc3C)sc2c(=O)n1C ZINC000061930080 FF Annotated Anodyne COc1ccccc1CNc1nc(NCCNC(C)=O)c2sccc2n1 ZINC000061930789 FF Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@@](C)(C(=O)NC(C)C)O3)cc1 ZINC000061930839 FF Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@](C)(C(=O)NC(C)C)O3)cc1 ZINC000061930840 FF Annotated Anodyne CC(=O)c1ccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)cc1 ZINC000061931018 FF Annotated Anodyne Cc1cc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)ccc1[N+](=O)[O-] ZINC000061931028 FF Annotated Bother O=S1(=O)c2ccc(Br)cc2N2CCC[C@@H]2CN1C1CC1 ZINC000061931088 FF Annotated Anodyne CCCCN1C[C@H](COC(=O)CCC)Oc2cccc(F)c2S1(=O)=O ZINC000061931194 FF Annotated Anodyne C[C@H]1NC(=O)[C@]2(C)[C@@H](c3ccccc3)[C@H]3COc4ccccc4[C@H]3N2C1=O ZINC000061931344 FF Annotated Anodyne C[C@H]1NC(=O)[C@]2(C)[C@@H](c3ccccc3)[C@H]3COc4ccccc4[C@@H]3N2C1=O ZINC000061931346 FF Annotated Anodyne c1ccc(COc2ncnc3c2ncn3CCCNCc2ccccn2)cc1 ZINC000061936009 FF Annotated Anodyne CC[C@@H](C)[C@@H](CO)NCCCn1cnc(C(=O)Nc2ccc(C)c(C)c2)n1 ZINC000061936021 FF Annotated Anodyne CC[C@H](C)[C@@H](CO)NCCCn1cnc(C(=O)Nc2ccc(C)c(C)c2)n1 ZINC000061936024 FF Annotated Anodyne CC[C@@H](C)[C@H](CO)NCCCn1cnc(C(=O)Nc2ccc(C)c(C)c2)n1 ZINC000061936026 FF Annotated Anodyne CC[C@H](C)[C@H](CO)NCCCn1cnc(C(=O)Nc2ccc(C)c(C)c2)n1 ZINC000061936028 FF Annotated Anodyne CC(C)C[C@H]1CNC(=O)C(=O)N1CC1CCN(CCC(C)(C)C)CC1 ZINC000061936100 FF Annotated Anodyne CCC(CC)CN1CCC(CN2C(=O)C(=O)NC[C@@H]2[C@@H](C)CC)CC1 ZINC000061936128 FF Annotated Anodyne CN1C(=O)[C@](CC#N)([C@@]2(CC#N)C(=O)N(C)c3ccccc32)c2ccccc21 ZINC000061936221 FF Annotated Mild CN1C(=O)[C@](CC#N)([C@]2(CC#N)C(=O)N(C)c3ccccc32)c2ccccc21 ZINC000061936222 FF Annotated Mild CN1C(=O)[C@@](CC#N)([C@]2(CC#N)C(=O)N(C)c3ccccc32)c2ccccc21 ZINC000061936225 FF Annotated Mild CC(C)(C)[S@@](=O)N1Cc2cc(=O)n(Cc3ccccc3)cc2[C@@H]1CCO ZINC000061943239 FF Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(=O)n(Cc3ccccc3)cc2[C@@H]1CCO ZINC000061943241 FF Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cn(Cc3ccccc3)c(=O)cc2[C@@H]1CCO ZINC000061943243 FF Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cn(Cc3ccccc3)c(=O)cc2[C@@H]1CCO ZINC000061943245 FF Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(=O)n(Cc3ccccc3)cc2[C@H]1CCO ZINC000061943294 FF Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(=O)n(Cc3ccccc3)cc2[C@H]1CCO ZINC000061943295 FF Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cn(Cc3ccccc3)c(=O)cc2[C@H]1CCO ZINC000061943297 FF Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cn(Cc3ccccc3)c(=O)cc2[C@H]1CCO ZINC000061943299 FF Annotated Anodyne O=S1(=O)N[C@@H](Cc2ccccc2)COc2cc(Br)ccc21 ZINC000061943355 FF Annotated Anodyne CCCN([C@H](CO)C(C)C)S(=O)(=O)c1ccccc1Br ZINC000061944689 FF Annotated Anodyne CCN1Cc2c(cc(OC)c(OC)c2OC)-c2ccccc2S1(=O)=O ZINC000061944799 FF Annotated Anodyne O=S1(=O)c2ccccc2O[C@H](COCc2ccccc2)CN1C1CC1 ZINC000061944817 FF Annotated Anodyne O=S1(=O)c2ccccc2O[C@@H](COCc2ccccc2)CN1C1CC1 ZINC000061944818 FF Annotated Anodyne O=C(Cn1cnc2c(OCc3ccccc3)ncnc21)NCc1ccccc1 ZINC000061947328 FF Annotated Anodyne CN1CC(=O)N2[C@H]3c4ccccc4OC[C@@H]3[C@H](c3ccccc3)[C@]2(C)C1=O ZINC000061949415 FF Annotated Anodyne C[C@H]1NC(=O)[C@@]2(C)[C@H](c3ccccc3)[C@H]3COc4ccccc4[C@@H]3N2C1=O ZINC000061949434 FF Annotated Anodyne COc1cc2c(C#CCO)c(-c3ccc(C#N)cc3)oc(=O)c2cc1OC ZINC000061949561 FF Annotated Mild COc1cc(C#Cc2ccc3cc(CCO)oc(=O)c3c2)cc(OC)c1 ZINC000061949567 FF Annotated Mild COCC(=O)N[C@@H]1c2cc(OC)c(OC)cc2C[C@H]1OCc1ccccc1 ZINC000061959106 FF Annotated Anodyne O=C(NCCO)c1c(-c2ccc3c(c2)OCO3)noc1-c1ccsc1 ZINC000061969109 FF Annotated Anodyne CO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1cc(OC)c(OC)cc1OC ZINC000617957257 FF Annotated Anodyne CO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000617957260 FF Annotated Anodyne CC(C)CCNS(=O)(=O)c1ccc2[nH]c(O)c(N=NC(N)=S)c2c1 ZINC000617960105 FF Annotated Clean CC/N=c1\c(NS(=O)(=O)c2ccc(F)cc2)c(O)oc2ccccc12 ZINC000617997498 FF Annotated Anodyne CC(=O)Nc1ccc(C(=O)NCCCSSCCN(C)C)cc1 ZINC000618007599 FF Annotated Reactive NCCSSCCNC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000618007600 FF Annotated Reactive NCCSSCCNC(=O)c1cc(Br)ccc1F ZINC000618007657 FF Annotated Reactive CN(C)CCSSCCC(=O)Nc1cc(C(N)=O)ccc1Cl ZINC000618007991 FF Annotated Reactive NCCSSCCNC(=O)c1cc(F)c(F)cc1Br ZINC000618008021 FF Annotated Reactive NCCSSCCCNC(=O)c1cc2cccc(O)c2cc1O ZINC000618008043 FF Annotated Reactive CN(C)CCSSCCNC(=O)c1ncccc1Br ZINC000618008301 FF Annotated Reactive CN(C)CCSSCCNC(=O)c1ccc(Br)o1 ZINC000618008842 FF Annotated Reactive CN(C)CCSSCCNC(=O)c1cc(N)cc(C(F)(F)F)c1 ZINC000618008848 FF Annotated Reactive CN(C)CCSSCCNC(=O)c1cncc(Br)c1 ZINC000618009059 FF Annotated Reactive CN(C)CCSSCCn1cc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000618009249 FF Annotated Reactive CN(C)CCSSCCn1cc(CN(C)Cc2ccccc2)nn1 ZINC000618009417 FF Annotated Reactive COc1cc(OC)cc(-c2cn(CCSSCCN(C)C)nn2)c1 ZINC000618009472 FF Annotated Reactive CN(C)CCSSCCn1cc(CNCc2ccccc2)nn1 ZINC000618009781 FF Annotated Reactive CN(C)CCSSCCCn1cc(CNCc2ccccc2)nn1 ZINC000618010018 FF Annotated Reactive CN(C)CCSSCCn1cc(-c2ccc(N(C)C)cc2)nn1 ZINC000618010549 FF Annotated Reactive CN(C)CCSSCCN(C)C(=O)c1ccc2nc(O)oc2c1 ZINC000618011767 FF Annotated Reactive CC[C@H](NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C)c1cccs1 ZINC000618013069 FF Annotated Anodyne CC[C@H](NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C)c1cccs1 ZINC000618013070 FF Annotated Anodyne CC[C@H](NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C)c1cccs1 ZINC000618013071 FF Annotated Anodyne CCC[C@@H]1CCCN(C(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@@H]2C)CC1 ZINC000618013210 FF Annotated Anodyne CCC[C@@H]1CCCN(C(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@H]2C)CC1 ZINC000618013212 FF Annotated Anodyne CCC[C@@H]1CCCN(C(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@@H]2C)CC1 ZINC000618013213 FF Annotated Anodyne O=C1NN(c2ncnc3sc4c(c23)CCCC4)C(=O)[C@@H]2CCCC[C@@H]12 ZINC000618014208 FF Annotated Anodyne O=C1NN(c2ncnc3sc4c(c23)CCCC4)C(=O)[C@H]2CCCC[C@@H]12 ZINC000618014220 FF Annotated Anodyne O=C1NN(c2ncnc3sc4c(c23)CCCC4)C(=O)[C@H]2CCCC[C@H]12 ZINC000618014222 FF Annotated Anodyne O=C1NN(c2ncnc3sc4c(c23)CCCC4)C(=O)[C@@H]2CCCC[C@H]12 ZINC000618014224 FF Annotated Anodyne CC(C)(C)n1c(NC(=O)[C@@H]2NNC(=O)[C@H]3CCCC[C@H]32)nc2ccccc21 ZINC000618014464 FF Annotated Anodyne CC(C)(C)n1c(NC(=O)[C@@H]2NNC(=O)[C@H]3CCCC[C@@H]32)nc2ccccc21 ZINC000618014465 FF Annotated Anodyne CC(C)(C)n1c(NC(=O)[C@@H]2NNC(=O)[C@@H]3CCCC[C@@H]32)nc2ccccc21 ZINC000618014466 FF Annotated Anodyne CC(C)(C)n1c(NC(=O)[C@@H]2NNC(=O)[C@@H]3CCCC[C@H]32)nc2ccccc21 ZINC000618014467 FF Annotated Anodyne COc1c(C)cnc(CN(C)C(=O)C[C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)c1C ZINC000618015617 FF Annotated Anodyne COc1c(C)cnc(CN(C)C(=O)C[C@@H]2C[C@H]3CCCC[C@H]3NC2=O)c1C ZINC000618015618 FF Annotated Anodyne COc1c(C)cnc(CN(C)C(=O)C[C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)c1C ZINC000618015619 FF Annotated Anodyne COc1c(C)cnc(CN(C)C(=O)C[C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)c1C ZINC000618015620 FF Annotated Anodyne CN(C)CCSSCCNC(=O)c1cc(Cl)c2n[nH]cc2c1 ZINC000618016748 FF Annotated Reactive Cc1cnc(C(=O)N(C)[C@@H]2CCCC[C@@H](Oc3ccccc3)[C@@H]2O)cn1 ZINC000618016874 FF Annotated Anodyne CN(C)CCSSCCCNC(=O)Cc1c[nH]c2ncccc12 ZINC000618017047 FF Annotated Reactive CN(C)CCSSCCCNC(=O)c1cc(-c2ccncc2)no1 ZINC000618017197 FF Annotated Reactive C=CS(=O)(=O)N1CCN(Cc2cc(-c3cccc(Cl)c3)no2)CC1 ZINC000618017322 FF Annotated Anodyne N#C/C(=C\C1CC1)S(=O)(=O)NCCc1ccc(OC(F)(F)F)cc1 ZINC000618017546 FF Annotated Reactive CC(C)Oc1ccc(C(=O)NCCCSSCCN(C)C)cn1 ZINC000618017745 FF Annotated Reactive CN(C)CCSSCCNC(=O)c1cc(Cl)c2[nH]cnc2c1 ZINC000618018367 FF Annotated Reactive CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1cc(O)n(-c2ccccc2)n1 ZINC000618020067 FF Annotated Anodyne C[C@@H](NC(=O)c1cc(O)n(-c2ccccc2)n1)c1cn2ccsc2n1 ZINC000618020147 FF Annotated Anodyne C[C@H](NC(=O)c1cc(O)n(-c2ccccc2)n1)c1cn2ccsc2n1 ZINC000618020148 FF Annotated Anodyne O=C(NC[C@H]1CCOc2ccccc2C1)c1cc(O)n(-c2ccccc2)n1 ZINC000618020168 FF Annotated Anodyne O=C(NC[C@@H]1CCOc2ccccc2C1)c1cc(O)n(-c2ccccc2)n1 ZINC000618020169 FF Annotated Anodyne C=CS(=O)(=O)N1CCCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000618020177 FF Annotated Anodyne C=CS(=O)(=O)N1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000618020244 FF Annotated Anodyne C=CS(=O)(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000618020245 FF Annotated Anodyne C=CS(=O)(=O)N1CCN(c2ccc(Br)cc2)C(C)(C)C1 ZINC000618020257 FF Annotated Anodyne C[C@H]1CN(C(=O)C2(C#N)CC2)CCN1Cc1ccc(OC(F)(F)F)cc1 ZINC000618020276 FF Annotated Mild C=CS(=O)(=O)N1CCN(Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000618020287 FF Annotated Anodyne CC[C@@H](CC(=O)NCC[C@H]1CCNC1)n1c(N)nc2cc(Cl)ccc21 ZINC000062224949 FF Annotated Anodyne O=C1C[C@@H]2O[C@H](c3ccsc3)C3=C(C(=O)c4ccccc4C3=O)[C@@H]2O1 ZINC000062233471 FF Annotated Mild O=C1C[C@H]2O[C@@H](c3ccsc3)C3=C(C(=O)c4ccccc4C3=O)[C@H]2O1 ZINC000062233473 FF Annotated Mild COc1cc(OC)c2cc(C(=O)N[C@@H](CO)Cc3ccccc3)oc2c1 ZINC000621429313 FF Annotated Anodyne COc1ccc2cc(C(=O)N[C@@H](CO)Cc3ccccc3)oc2c1OC ZINC000621429396 FF Annotated Anodyne O=c1cc(Cn2cnc([N+](=O)[O-])c2)nc2scc(-c3ccccc3)n12 ZINC000621429883 FF Annotated Bother COc1ccc(-c2cc(C(=O)N[C@@H](CO)Cc3ccccc3)co2)cn1 ZINC000621431172 FF Annotated Anodyne CCc1c(C)c(C#N)c2nc3ccc(NC(=O)C(C)(C)CO)cc3n2c1O ZINC000621431872 FF Annotated Mild CC[C@H](C)NC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000621441636 FF Annotated Anodyne CC[C@H](C)NC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000621441637 FF Annotated Anodyne CC[C@H](C)NC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000621441638 FF Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000621441639 FF Annotated Anodyne O=C(O)c1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)n1 ZINC000621476335 FF Annotated Bother O=C(O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)nc1 ZINC000621476339 FF Annotated Bother CNC(=O)C1CCN(C(=O)c2cc(-c3ccc(F)cc3F)ccc2O)CC1 ZINC000621476419 FF Annotated Anodyne CN(C)CCSSCCNC(=O)c1cccnc1C(F)(F)F ZINC000621477362 FF Annotated Reactive CN(C)CCSSCCNC(=O)c1ccc(C(F)(F)F)cn1 ZINC000621477400 FF Annotated Reactive CN(C)CCSSCCNC(=O)c1ccc(C(F)(F)F)nc1 ZINC000621477568 FF Annotated Reactive O=C(Nc1cccc(-n2cnnn2)c1)c1cc(C(F)(F)F)cc2nc[nH]c12 ZINC000621477584 FF Annotated Anodyne CN(C)CCSSCCNC(=O)c1cccc(C(F)(F)F)n1 ZINC000621477627 FF Annotated Reactive CNC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3F)ccc2O)C1 ZINC000621477628 FF Annotated Anodyne C=CC(=O)NCCCNC(=O)c1cc(-c2ccc(F)cc2F)ccc1O ZINC000621485629 FF Annotated Anodyne CN(C)CCSSCCCNC(=O)c1cc(-c2ccco2)on1 ZINC000621485653 FF Annotated Reactive CN(C)CCSSCCNC(=O)c1cc(Cl)c2[nH]c(O)nc2c1 ZINC000621485955 FF Annotated Reactive Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21 ZINC000063298113 FF Annotated Bother CC[C@@H]1C[C@H](NS(=O)(=O)C2CC2)C[C@@H]1c1ncc2cnc3[nH]ccc3n12 ZINC000063540334 FF Annotated Anodyne CCOC(=O)[C@]1(CCOC)CCCN(Cc2ccc3nsnc3c2)C1 ZINC000064024095 FF Annotated Anodyne CCOC(=O)[C@@]1(CCOC)CCCN(Cc2ccc3nsnc3c2)C1 ZINC000064024096 FF Annotated Anodyne O=c1c(CN2CCCC2)cc(CN2CCCC2)cc(CN2CCCC2)c1O ZINC000064251730 FF Annotated Anodyne COc1cccc(OCC(=O)N/N=C(\C)C/C(O)=N\Cc2ccco2)c1 ZINC000064261546 FF Annotated Reactive Cn1c(=O)n(C)c2cc(/C=N\N=c3\[nH]cc(-c4ccccc4)s3)ccc21 ZINC000064261575 FF Annotated Mild C[C@H]1CN(C2=Cc3ccccc3Cn3ccnc32)C[C@@H](C)N1CCC(=O)O ZINC000064373493 FF Annotated Anodyne C[C@@H]1CN(C2=Cc3ccccc3Cn3ccnc32)C[C@@H](C)N1CCC(=O)O ZINC000064373494 FF Annotated Anodyne COc1c(C)cc(Cc2c3nc(N(C)C)nc-3ccn(C)c2=O)cc1C ZINC000064393091 FF Annotated Anodyne COC(=O)/C(=C1/OC(=O)C(c2ccc(OC)cc2)=C1O)c1cccc(O)c1 ZINC000064446649 FF Annotated Anodyne COc1ccc([C@@H]2c3ccc(O)cc3O[C@H]3NC(=S)NC(=S)[C@@H]32)cc1 ZINC000064446684 FF Annotated Anodyne COc1ccc([C@H]2c3ccc(O)cc3O[C@H]3NC(=S)NC(=S)[C@H]23)cc1 ZINC000064446686 FF Annotated Anodyne COc1ccc([C@@H]2c3ccc(O)cc3O[C@@H]3NC(=S)NC(=S)[C@@H]32)cc1 ZINC000064446688 FF Annotated Anodyne COc1ccc([C@H]2c3ccc(O)cc3O[C@@H]3NC(=S)NC(=S)[C@@H]32)cc1 ZINC000064446690 FF Annotated Anodyne CSc1ccc(Cc2nn(CN3CCN(C)CC3)c(=S)o2)cc1 ZINC000064446871 FF Annotated Anodyne Cc1nnc(Cc2nn(Cc3cnc(Cl)s3)c(=O)c3ccccc23)o1 ZINC000064447568 FF Annotated Anodyne O=C(c1cccs1)c1cnn2c1n[n+]([O-])c1ccc(C(F)(F)F)cc12 ZINC000064447781 FF Annotated Anodyne COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@H]3N=CNC(=O)[C@@H]32)cc1 ZINC000064453635 FF Annotated Anodyne COc1ccc([C@H]2c3ccc4cccnc4c3O[C@H]3N=CNC(=O)[C@H]23)cc1 ZINC000064453637 FF Annotated Anodyne COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@@H]3N=CNC(=O)[C@@H]32)cc1 ZINC000064453638 FF Annotated Anodyne COc1ccc([C@H]2c3ccc4cccnc4c3O[C@@H]3N=CNC(=O)[C@@H]32)cc1 ZINC000064453640 FF Annotated Anodyne COc1ccc([C@@H]2c3ccccc3O[C@H]3NC(=S)NC(=S)[C@@H]32)cc1 ZINC000064453787 FF Annotated Anodyne COc1ccc([C@H]2c3ccccc3O[C@H]3NC(=S)NC(=S)[C@H]23)cc1 ZINC000064453789 FF Annotated Anodyne COc1ccc([C@@H]2c3ccccc3O[C@@H]3NC(=S)NC(=S)[C@@H]32)cc1 ZINC000064453790 FF Annotated Anodyne COc1ccc([C@H]2c3ccccc3O[C@@H]3NC(=S)NC(=S)[C@@H]32)cc1 ZINC000064453792 FF Annotated Anodyne CC(C)c1csc(-c2nnc(S)n2NC(=O)c2ccc(O)cc2)n1 ZINC000064453855 FF Annotated Anodyne COc1ccc([C@@H]2c3ccc(O)cc3O[C@H]3N=C(S)N=C(N)[C@@H]32)cc1 ZINC000064454222 FF Annotated Anodyne COc1ccc([C@H]2c3ccc(O)cc3O[C@H]3N=C(S)N=C(N)[C@H]23)cc1 ZINC000064454223 FF Annotated Anodyne COc1ccc([C@@H]2c3ccc(O)cc3O[C@@H]3N=C(S)N=C(N)[C@@H]32)cc1 ZINC000064454224 FF Annotated Anodyne COc1ccc([C@H]2c3ccc(O)cc3O[C@@H]3N=C(S)N=C(N)[C@@H]32)cc1 ZINC000064454226 FF Annotated Anodyne C[C@]1(COC2=C[C@@H]3Oc4ccccc4C(=O)[C@@H]3C(OC[C@]3(C)CO3)=C2)CO1 ZINC000064475006 FF Annotated Anodyne O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)N/N=C/c1ccccc1Cl ZINC000064485683 FF Annotated Reactive O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)N/N=C/c1ccc(Cl)cc1 ZINC000064485725 FF Annotated Reactive CO[C@@H]1CC=C2NN(c3ccccn3)C(=O)CC[C@]2(c2ccccc2)O1 ZINC000064491904 FF Annotated Anodyne O=C1CCCC2=C1[C@]1(CCCOC1)N=C(Nc1nc3ccccc3o1)N2 ZINC000064502304 FF Annotated Mild O=C1CCCC2=C1[C@@]1(CCCOC1)N=C(Nc1nc3ccccc3o1)N2 ZINC000064502305 FF Annotated Mild COC(=O)c1cc(N(C)C(=O)/C=C/c2ccco2)ccc1N1CCOCC1 ZINC000064503773 FF Annotated Anodyne CN(C(=O)/C=C/c1cccs1)c1ccc(N2CCOCC2)c(C(=O)O)c1 ZINC000064503805 FF Annotated Anodyne CCOC(OCC)c1cn(C[C@@H]2Cc3c([nH]c4ccccc34)CN2)nn1 ZINC000064512091 FF Annotated Anodyne O=C(CCC1=CCCN(CCc2ccc(C(F)(F)F)cc2)C1=O)NO ZINC000064513019 FF Annotated Bother C[C@@H]1CN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CCN1 ZINC000064527117 FF Annotated Anodyne C[C@H]1CN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CCN1 ZINC000064527289 FF Annotated Anodyne O[C@@H](c1ccccc1)c1cn(C[C@@H]2Cc3c([nH]c4ccccc34)CN2)nn1 ZINC000064527325 FF Annotated Anodyne O[C@H](c1ccccc1)c1cn(C[C@@H]2Cc3c([nH]c4ccccc34)CN2)nn1 ZINC000064527326 FF Annotated Anodyne Cc1nc(-c2ccc(NC(=O)CCl)cn2)[nH]c(=O)c1Cc1ccccc1 ZINC000064527380 FF Annotated Reactive NC(=O)C1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000064527566 FF Annotated Mild NC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000064527568 FF Annotated Mild NC(=O)C1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000064527569 FF Annotated Mild NC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000064527571 FF Annotated Mild S=c1[nH]nc(Cc2nc(-c3ccccc3)no2)n1CCCn1ccnc1 ZINC000064528190 FF Annotated Anodyne O=C(CCC1=CCCN(CCc2cccc(C(F)(F)F)c2)C1=O)NO ZINC000064528285 FF Annotated Bother c1ccc2c3c([nH]c2c1)CN[C@H](Cn1cc(CO[C@@H]2CCCCO2)nn1)C3 ZINC000064528296 FF Annotated Anodyne c1ccc2c3c([nH]c2c1)CN[C@H](Cn1cc(CO[C@H]2CCCCO2)nn1)C3 ZINC000064528297 FF Annotated Anodyne NC(=O)CCn1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc21 ZINC000064539864 FF Annotated Anodyne O=S(=O)(O)OCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000064540438 FF Annotated Reactive CCCCCC[C@H](N)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1 ZINC000064549247 FF Annotated Bother CCCCCC[C@@H](N)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1 ZINC000064549248 FF Annotated Bother Cc1ccc(CNCC2(O)C[C@@H]3CC[C@H](C2)N3C(=O)c2ccsc2)nc1 ZINC000064549299 FF Annotated Anodyne COc1cccc2c1O[C@@H]1C=C(OC[C@@](C)(O)CCl)C=C(O)[C@H]1C2=O ZINC000064553240 FF Annotated Reactive COc1cccc2c1O[C@@H]1C=C(OC[C@](C)(O)CCl)C=C(O)[C@H]1C2=O ZINC000064553244 FF Annotated Anodyne COc1cccc2c1O[C@H]1C=C(OC[C@@](C)(O)CCl)C=C(O)[C@H]1C2=O ZINC000064553246 FF Annotated Reactive N#Cc1ccccc1Cn1c(=O)c2cc(O)c(O)cc2c2cc(O)c(O)cc21 ZINC000064553773 FF Annotated Mild C[C@@H]1Oc2c(O)c3c(c(O)c2[C@H]1O)C(=O)C(O)=C1[C@]3(C)CC[C@H]2C[C@@]12C ZINC000064559286 FF Annotated Mild Cn1ncnc1-c1ncsc1NC(=O)Cc1cccc2cnccc12 ZINC000064560478 FF Annotated Anodyne COc1ccc2c(c1)/C(=N\OCCN(C)C)c1c-2c(=O)[nH]c2ccccc12 ZINC000064574005 FF Annotated Mild O=C1CCCC2=C1C1(CCOCC1)N=C(Nc1nc3ccccc3o1)N2 ZINC000064581839 FF Annotated Mild C[C@@H]1CC[C@@H]2C(=O)O[C@H](CO)CN2[C@@H]1c1ccc(Br)cc1 ZINC000064586078 FF Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)O[C@H](CO)CN2[C@@H]1c1ccc(Br)cc1 ZINC000064586079 FF Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)O[C@H](CO)CN2[C@@H]1c1ccc(Br)cc1 ZINC000064586081 FF Annotated Anodyne C[C@H]1CC[C@H]2C(=O)O[C@H](CO)CN2[C@@H]1c1ccc(Br)cc1 ZINC000064586082 FF Annotated Anodyne C=C(NNc1c(F)c(F)nc(F)c1F)c1ccc(-n2cncn2)cc1 ZINC000064631678 FF Annotated Anodyne c1cc2cc(c1)[nH]c1ncnc(n1)[nH]c1cccc(c1)[nH]c1ncnc(n1)[nH]2 ZINC000064633416 FF Annotated Bother in-vitro Cc1ccc(S(=O)(=O)/N=C(\O)COc2ccc(CC#N)cc2)s1 ZINC000064666730 FF Annotated Mild Cc1c(OCCBr)ccc2c(=O)nc(C3CCNCC3)oc12 ZINC000064750208 FF Annotated Reactive Cc1c(N2C[C@H](C)N[C@H](C)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520951 FF Annotated Anodyne CC(=O)O[C@@H]1c2c(ccc3c(C)cc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O ZINC000006521502 FF Annotated Anodyne COCCOn1c(Sc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O ZINC000006521936 FF Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)OCC2=CC=C(CO)SS2)cc1 ZINC000006522628 FF Annotated Reactive Cn1c(N/N=C/c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O ZINC000006523614 FF Annotated Mild O=C1c2c(Br)sc(Br)c2[C@H]2NC(=S)O[C@@H]12 ZINC000006523910 FF Annotated Anodyne O=C1c2c(Br)sc(Br)c2[C@H]2OC(=S)N[C@@H]12 ZINC000006523912 FF Annotated Anodyne c1cc(-c2cnc(-c3ccc(C4=NCCN4)cc3)o2)ccc1C1=NCCN1 ZINC000006536384 FF Annotated Anodyne OCC1=CC=C(CSc2nnnn2-c2ccc(O)cc2)SS1 ZINC000006536428 FF Annotated Reactive C/C(CC(=O)Nc1ccccc1C(F)(F)F)=N/NC(=O)c1cnccn1 ZINC000006562180 FF Annotated Reactive CC(=O)n1cc([C@H]2C=C(C(=O)O)O[C@@H](OCCCCO)C2)c2ccccc21 ZINC000006563233 FF Annotated Anodyne O=C1CC([C@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000006575106 FF Annotated Anodyne CCOC(=O)[C@@H]1C(C)=CC(=O)[C@H](C(=O)OCC)[C@H]1c1ccc(OC)cc1 ZINC000006576939 FF Annotated Mild COc1cc(N[C@H](C)CCCN2C(=O)CNC2(C)C)c2ncccc2c1 ZINC000006717798 FF Annotated Anodyne O=[N+]([O-])c1cc(O)c2c(c1)S(=O)(=O)N=C(Nc1ccccc1Cl)N2 ZINC000006718562 FF Annotated Bother CCOc1sc2nc(C)n(CC(=O)N3CCC(C)CC3)c(=O)c2c1C ZINC000006724163 FF Annotated Anodyne CC1CCC(NC(=O)CCCCn2c(=O)[nH]c3ccsc3c2=O)CC1 ZINC000006732931 FF Annotated Anodyne O=C(CCc1nc2cccnc2n1-c1ccccc1)NC[C@@H]1CCCO1 ZINC000006737673 FF Annotated Anodyne O=C(CCc1nc2cccnc2n1-c1ccccc1)NC[C@H]1CCCO1 ZINC000006737674 FF Annotated Anodyne Cc1ccc2c(c1)cc1c(=O)n(CC(=O)N3CCCCCC3)nc(C)n12 ZINC000006749660 FF Annotated Anodyne O=C(Cn1c(=O)c2cccn2c2ccccc21)N1CCc2ccccc2C1 ZINC000006750678 FF Annotated Anodyne COc1ccc(-c2noc(N(C)CC(=O)Nc3cccc(C)n3)n2)cc1 ZINC000006751896 FF Annotated Anodyne Clc1cccc(N2CCN(c3nc4ccccc4n4nnnc34)CC2)c1 ZINC000006752110 FF Annotated Anodyne O=C(NCCc1ccccc1)c1cccc2c1C(=O)N(C[C@@H]1CCCO1)C2 ZINC000006769990 FF Annotated Anodyne O=C(NCCc1ccccc1)c1cccc2c1C(=O)N(C[C@H]1CCCO1)C2 ZINC000006769991 FF Annotated Anodyne O[C@H](CNc1ccc(Br)cc1)Cn1nnnc1-c1ccccc1 ZINC000006786274 FF Annotated Anodyne O[C@@H](CNc1ccc(Br)cc1)Cn1nnnc1-c1ccccc1 ZINC000006786278 FF Annotated Anodyne CCOCCCNC(=O)CN1C(=O)c2ccccc2Sc2ncccc21 ZINC000006797032 FF Annotated Anodyne O=C(Cn1c(=O)c2cccn2c2cccnc21)NCCC1=CCCCC1 ZINC000006797253 FF Annotated Anodyne COCCn1c(C)cc(C(=O)C(=O)Nc2nnc(-c3ccco3)s2)c1C ZINC000006800427 FF Annotated Anodyne O=C(CN1C(=O)CSc2ncccc21)N[C@H]1CCCc2ccccc21 ZINC000006802497 FF Annotated Anodyne O=C(CN1C(=O)CSc2ncccc21)N[C@@H]1CCCc2ccccc21 ZINC000006802499 FF Annotated Anodyne Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NCc1ccccc1F ZINC000006802883 FF Annotated Anodyne CSc1ccc(CCNC(=O)Cn2ncc3ccsc3c2=O)cc1 ZINC000006804600 FF Annotated Anodyne CCc1ccc(CNC(=O)CN(C)c2nnc(-n3cccc3)s2)cc1 ZINC000006806067 FF Annotated Anodyne O=C(N[C@@]1(Cc2ccccc2F)N=C2C=CC=CN2C1=O)c1ccccc1 ZINC000006806639 FF Annotated Anodyne O=C(N[C@]1(Cc2ccccc2F)N=C2C=CC=CN2C1=O)c1ccccc1 ZINC000006806640 FF Annotated Anodyne COc1cccc(CNC(=O)Cn2cc3c(n2)CCCCCC3)c1OC ZINC000006806929 FF Annotated Anodyne CC[C@@H](C(=O)N1CCCCCC1)n1nc(C)n2c(cc3occc32)c1=O ZINC000006807456 FF Annotated Anodyne CC[C@H](C(=O)N1CCCCCC1)n1nc(C)n2c(cc3occc32)c1=O ZINC000006807457 FF Annotated Anodyne CCOc1ccccc1-n1nnc(S(=O)(=O)c2ccc(CC)cc2)c1N ZINC000006817509 FF Annotated Anodyne C=CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCO2 ZINC000006819282 FF Annotated Mild NC(=O)CSc1nc2c(oc3ccccc32)c(=O)n1-c1ccccc1F ZINC000006819905 FF Annotated Anodyne CCc1nn([C@@H](CC)C(=O)N[C@@H](C)CC)c(=O)c2cc3oc(C)cc3n12 ZINC000006821501 FF Annotated Anodyne CCc1nn([C@H](CC)C(=O)N[C@@H](C)CC)c(=O)c2cc3oc(C)cc3n12 ZINC000006821505 FF Annotated Anodyne CCc1nn([C@@H](CC)C(=O)N[C@H](C)CC)c(=O)c2cc3oc(C)cc3n12 ZINC000006821508 FF Annotated Anodyne CCc1nn([C@H](CC)C(=O)N[C@H](C)CC)c(=O)c2cc3oc(C)cc3n12 ZINC000006821514 FF Annotated Anodyne CC(=O)N1CCOc2ccc(S(=O)(=O)N(C)c3cccc(C)c3)cc21 ZINC000006832860 FF Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006839808 FF Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006839812 FF Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006839814 FF Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006839816 FF Annotated Anodyne CC[C@@H](C)N(CCNC(=O)c1nc(-c2cccnc2)no1)Cc1ccco1 ZINC000006841819 FF Annotated Anodyne CC[C@H](C)N(CCNC(=O)c1nc(-c2cccnc2)no1)Cc1ccco1 ZINC000006841822 FF Annotated Anodyne CNC(=O)C1CCN(C(=O)N2C[C@@H](C)Oc3ccc(Cl)cc32)CC1 ZINC000006841895 FF Annotated Anodyne CNC(=O)C1CCN(C(=O)N2C[C@H](C)Oc3ccc(Cl)cc32)CC1 ZINC000006841897 FF Annotated Anodyne Cc1ccc2onc(CNC(=O)NCCN3CCc4ccccc4C3)c2c1 ZINC000006866135 FF Annotated Anodyne O=C1CSc2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2N1 ZINC000006892685 FF Annotated Anodyne CC(=O)N1CCOc2cc(S(=O)(=O)NCc3ccc(C)cc3)c(C)cc21 ZINC000006893111 FF Annotated Anodyne O=C(NCCC1=CCCCC1)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1 ZINC000006893554 FF Annotated Anodyne CC[C@H](Sc1nnc(C)n2c1cc1oc(C)cc12)C(=O)N1CCOCC1 ZINC000006894183 FF Annotated Anodyne CC[C@@H](Sc1nnc(C)n2c1cc1oc(C)cc12)C(=O)N1CCOCC1 ZINC000006894184 FF Annotated Anodyne C[C@H](CC(=O)NCc1ccccc1)CC1=NS(=O)(=O)c2ccccc2N1 ZINC000006914189 FF Annotated Anodyne C[C@@H](CC(=O)NCc1ccccc1)CC1=NS(=O)(=O)c2ccccc2N1 ZINC000006914193 FF Annotated Anodyne Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)cc(C)c2c(C)nn(C)c21 ZINC000006916176 FF Annotated Anodyne CCc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)NC(C)C)c32)cc1 ZINC000006916276 FF Annotated Anodyne CCCNC(=O)Cn1c(=O)cc(C)c2c(C)nn(-c3ccc(CC)cc3)c21 ZINC000006916278 FF Annotated Anodyne CCN(CC)C(=O)Cn1c(=O)cc(C)c2c(C)nn(-c3ccc(C)cc3)c21 ZINC000006916315 FF Annotated Anodyne CCCCNC(=O)Cn1c(=O)cc(C)c2c(C)nn(-c3cccc(F)c3)c21 ZINC000006916352 FF Annotated Anodyne CCN(CC)C(=O)Cn1c(=O)cc(C)c2c(C)nn(-c3cccc(F)c3)c21 ZINC000006916361 FF Annotated Anodyne COCCN(Cc1ccco1)C(=O)Nc1cn(C)c(=O)c2ccccc12 ZINC000006932482 FF Annotated Anodyne CCn1c(=O)n(C/C(O)=N/c2cc(C)ccc2OC)c(=O)c2ccccc21 ZINC000006947978 FF Annotated Mild COc1cc(OC)cc(N2C(=O)CS[C@]23C(=O)Nc2ccccc23)c1 ZINC000006996809 FF Annotated Anodyne COc1cc(OC)cc(N2C(=O)CS[C@@]23C(=O)Nc2ccccc23)c1 ZINC000006996814 FF Annotated Anodyne O=C(Nc1ccccc1)c1cc2n(n1)CCCN(C(=O)N1CCCC1)C2 ZINC000065371614 FF Annotated Anodyne CCc1nc(C)c(CN2CCN(c3ncnc4c(C)csc34)CC2)[nH]1 ZINC000065451868 FF Annotated Anodyne O=c1cc(-c2ccc3nn[nH]c3c2)nc2nc(-c3ccccc3Cl)[nH]n12 ZINC000653632774 FF Annotated Anodyne O=c1cc(-c2ccc3nn[nH]c3c2)nc2[nH]c(-c3ccc(Cl)cc3)nn12 ZINC000653663962 FF Annotated Anodyne CCc1nn2c(=O)cc(-c3ccc4nn[nH]c4c3)[nH]c2c1-c1ccccn1 ZINC000653663973 FF Annotated Anodyne Cc1nn2c(=O)cc(-c3ccc4c(c3)OCO4)[nH]c2c1Cc1ccccn1 ZINC000653667438 FF Annotated Anodyne N[C@@H]1CC[C@@H](NC(=O)c2ccc(O)c3nc(-c4cccs4)[nH]c23)CC1 ZINC000653668774 FF Annotated Anodyne C[C@@H]1CCc2cc(C(=O)N(C)C)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653669360 FF Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)C)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653669361 FF Annotated Anodyne Nc1nn2c(=O)cc(-c3ccc4c(c3)OCCO4)[nH]c2c1-c1ccccc1 ZINC000653670672 FF Annotated Anodyne CCc1coc(-c2cnn3c(=O)cc(-c4ccc5c(c4)OCO5)[nH]c23)n1 ZINC000653672748 FF Annotated Anodyne CC(C)Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cnc1N ZINC000653672872 FF Annotated Anodyne Cc1nn2c(=O)cc(-c3ccc4c(c3)OCCO4)[nH]c2c1-c1ccccn1 ZINC000653677662 FF Annotated Anodyne Cc1nn2c(=O)cc(-c3ccc4c(c3)OCCO4)[nH]c2c1-c1cccnc1 ZINC000653677677 FF Annotated Anodyne CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2CC(C)(OC)C2)n1 ZINC000653679383 FF Annotated Anodyne O=c1cc(-c2ccc3c(c2)OCO3)[nH]c2c(-c3ncccc3F)cnn12 ZINC000653679918 FF Annotated Anodyne O=c1cc(-c2ccc(-c3nnco3)cc2)[nH]c2c(-c3ccccn3)cnn12 ZINC000653680380 FF Annotated Anodyne O=C(NC[C@@H]1CCCNC1)c1ccc(O)c2[nH]c([C@H]3C[C@H]4CC[C@H]3C4)nc12 ZINC000653680467 FF Annotated Anodyne O=C(NC[C@@H]1CCCNC1)c1ccc(O)c2[nH]c([C@@H]3C[C@H]4CC[C@H]3C4)nc12 ZINC000653680468 FF Annotated Anodyne O=C(NC[C@H]1CCCNC1)c1ccc(O)c2[nH]c([C@@H]3C[C@H]4CC[C@H]3C4)nc12 ZINC000653680469 FF Annotated Anodyne O=C(NC[C@H]1CCCNC1)c1ccc(O)c2[nH]c([C@H]3C[C@H]4CC[C@H]3C4)nc12 ZINC000653680470 FF Annotated Anodyne Cc1[nH]nc2ccc(-c3cc(=O)n4nc(N)c(-c5ccccn5)c4[nH]3)cc12 ZINC000653681800 FF Annotated Anodyne NC[C@@H]1CC[C@@H](NC(=O)c2ccnc3nc(-c4cccs4)[nH]c23)CC1 ZINC000653684268 FF Annotated Anodyne COc1ccc(-c2cnc3ccc(N[C@H](CO)C(C)C)nn23)c(OC)c1 ZINC000653684761 FF Annotated Anodyne Cc1nn2c(=O)cc(-c3ccc4nn[nH]c4c3C)[nH]c2c1-c1ccccn1 ZINC000653686238 FF Annotated Anodyne CC1=CC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)S(=O)(=O)O1 ZINC000653686896 FF Annotated Anodyne COC(=O)c1cccc(C2=CC3=CC(=O)O[C@@]34C[C@@H]2N2CCCC[C@@H]24)c1 ZINC000653687124 FF Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3c(cc(O)c(CN(C)C)c3O)O2)cc1O ZINC000653687470 FF Annotated Clean CNc1nc(Nc2ccc(-n3cncn3)c(OC)c2)nc(-c2ccccc2)n1 ZINC000653689405 FF Annotated Anodyne C/N=C(/N)c1cc2c(=O)n(C)cc(-c3ccc(OC)c(OC)c3)c2s1 ZINC000653689999 FF Annotated Mild COc1cc(N[C@H](C)CCCNc2c(OC)c(=O)c2=O)c2ncccc2c1 ZINC000653690007 FF Annotated Anodyne COc1cc(N[C@@H](C)CCCNc2c(OC)c(=O)c2=O)c2ncccc2c1 ZINC000653690008 FF Annotated Anodyne CC1(C)OCc2c(Nc3n[nH]c4c3CCCC4)nc(-c3cn[nH]c3)nc21 ZINC000653690488 FF Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Cl)cc2c1CNNC(=O)c1ccncc1 ZINC000653690535 FF Annotated Reactive CCCCOc1c(NCCNc2cc(OC)cc3cccnc23)c(=O)c1=O ZINC000653692012 FF Annotated Anodyne COc1ccc(-c2cn(C)c(=O)c3cc(C(=O)N(C)C)sc23)cc1OC ZINC000653693874 FF Annotated Anodyne COC(=O)c1ccc(C2=CC3=CC(=O)O[C@@]34C[C@@H]2N2CCCC[C@@H]24)cc1 ZINC000653698650 FF Annotated Anodyne O=C(NCCCCCCS)c1cc(-c2ccc(F)cc2)n(CCO)n1 ZINC000653701012 FF Annotated Mild COc1cc(-c2nnc3nc(O)c4ccccc4n23)cc(OC)c1OC ZINC000653702321 FF Annotated Anodyne CCOc1ccc(C(C)=O)cc1NC(=O)c1cccc(-n2cnnn2)c1 ZINC000653704627 FF Annotated Anodyne COc1cc(NC(=O)N=c2cc[nH]cc2)cc(-c2cncnc2)c1OC ZINC000653705317 FF Annotated Anodyne Cc1cc(-c2nnc(CCSC(=S)NCc3cccnc3)o2)no1 ZINC000653706687 FF Annotated Clean Cc1ccc(Cn2nccc2-n2c(S)nnc2-c2cc(C)n(C)n2)cc1 ZINC000653707175 FF Annotated Anodyne COc1c2cn3c(cc-2cc(=O)c1OC)-c1cc2c(cc1CC3)OCO2 ZINC000653707427 FF Annotated Anodyne CCOC(=O)c1[nH]c2ccc(C)cc2c1/C=N\NC(=O)c1ccncc1 ZINC000653708667 FF Annotated Reactive Cc1ocnc1C(=O)Nc1ccc(N2C(=O)c3cccnc3C2=O)cc1F ZINC000653708763 FF Annotated Anodyne O/N=C/c1cn(Cc2cn(-c3ccc(F)c(F)c3)nn2)c2ncccc12 ZINC000653709150 FF Annotated Mild O=c1c2cc3c(cc2ncn1C[C@H](O)c1cccc(Cl)c1)OCCO3 ZINC000653709741 FF Annotated Anodyne O=c1c2cc3c(cc2ncn1C[C@@H](O)c1cccc(Cl)c1)OCCO3 ZINC000653709742 FF Annotated Anodyne COc1ccc2c(c1)C(=O)O[C@@H](CCCn1nnnc1-c1ccccc1)C2 ZINC000653711385 FF Annotated Anodyne COc1ccc2c(c1)C(=O)O[C@H](CCCn1nnnc1-c1ccccc1)C2 ZINC000653711387 FF Annotated Anodyne CC1(C)OCc2c(C(=O)c3n[nH]c4ccccc34)nc(-c3cn[nH]c3)nc21 ZINC000653713023 FF Annotated Anodyne CCOC(=O)Cc1ccccc1NC(=O)c1sc2[nH]cnc(=O)c2c1C ZINC000653713166 FF Annotated Anodyne S=C(NCc1cccnc1)SCCc1nnc(-c2cccnc2)o1 ZINC000653714715 FF Annotated Clean Nc1c(C(=O)N/N=C/c2cccc(O)c2)oc2nc(C(F)(F)F)ccc12 ZINC000653715979 FF Annotated Reactive O=[N+]([O-])c1cn2c(n1)O[C@H](COc1ccc(-c3ccc(F)cc3)nc1)C2 ZINC000653718482 FF Annotated Bother O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(-c3ccc(F)cc3)nc1)C2 ZINC000653718483 FF Annotated Bother C[C@H](c1ccccc1)N1CCC[C@H](CNCc2cc(C(=O)O)ccn2)C1=O ZINC000653719651 FF Annotated Anodyne C[C@H](c1ccccc1)N1CCC[C@@H](CNCc2cc(C(=O)O)ccn2)C1=O ZINC000653719652 FF Annotated Anodyne COC(=O)[C@@H]1C[C@]23CC[C@@]14Nc1ccccc1[C@@]41CCN(C=C(C=O)C2)[C@@H]31 ZINC000653720595 FF Annotated Reactive COc1ccccc1NC(=S)Nc1nnc(SCC(=O)O)s1 ZINC000653721739 FF Annotated Anodyne CCCOCCNc1nc(N)nc2c1cc(-c1ccc(F)cc1)c(=O)n2C ZINC000653722423 FF Annotated Anodyne O=C(O)CSc1nnc(NC(=S)Nc2ccc(F)cc2F)s1 ZINC000653723541 FF Annotated Anodyne Cc1ccc2c(c1)[n+](=O)c(C(=O)/C=C/c1ccc([N+](=O)[O-])o1)c(C)n2O ZINC000653723930 FF Annotated Mild O=C(O)CSc1nnc(NC(=S)Nc2ccc(F)c(F)c2)s1 ZINC000653725025 FF Annotated Anodyne C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1C(=O)NC(C)(C)CO ZINC000653725545 FF Annotated Anodyne C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1C(=O)NC(C)(C)CO ZINC000653725546 FF Annotated Anodyne C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1C(=O)NC(C)(C)CO ZINC000653725547 FF Annotated Anodyne C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1C(=O)NC(C)(C)CO ZINC000653725548 FF Annotated Anodyne O=[N+]([O-])c1cnc2n1C[C@H](COc1ccc(-c3ccc(F)cc3)nc1)O2 ZINC000653725597 FF Annotated Bother Cc1nc(-c2c(N[C@@H]3CC[C@H](N)CC3)ccnc2O)[nH]c1-c1cnn(C)c1 ZINC000653726366 FF Annotated Anodyne Cc1c(C(=O)/C=C/c2ccc([N+](=O)[O-])s2)[n+](=O)c2ccccc2n1O ZINC000653726580 FF Annotated Mild O=[N+]([O-])c1cnc2n1C[C@@H](COc1ccc(-c3ccc(F)cc3)nc1)O2 ZINC000653728721 FF Annotated Bother C[C@@]1(CNc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653729234 FF Annotated Bother C[C@]1(CNc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653729235 FF Annotated Bother CN(C[C@@]1(C)Cn2cc([N+](=O)[O-])nc2O1)c1ccc(OC(F)(F)F)cc1 ZINC000653729272 FF Annotated Clean CN(C[C@]1(C)Cn2cc([N+](=O)[O-])nc2O1)c1ccc(OC(F)(F)F)cc1 ZINC000653729273 FF Annotated Clean N#Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(O)c3ccccc23)cc1 ZINC000653729339 FF Annotated Mild N#Cc1cccc(NS(=O)(=O)c2cc(C(=O)O)c(O)c3ccccc23)c1 ZINC000653733704 FF Annotated Mild C[C@@]1(CN2CCC(c3ccc(F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653733755 FF Annotated Bother C[C@]1(CN2CCC(c3ccc(F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653733756 FF Annotated Bother C[C@@]1(COc2ccc(-c3ccc(F)nc3)nc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653733768 FF Annotated Bother C[C@]1(COc2ccc(-c3ccc(F)nc3)nc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653733769 FF Annotated Bother O=C(Cn1cnc2c(F)cccc2c1=O)NCCc1ccc(Cl)cc1 ZINC000653733774 FF Annotated Anodyne C[C@@]1(COc2ccc(-c3ccc(F)nc3)cn2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653733794 FF Annotated Bother C[C@]1(COc2ccc(-c3ccc(F)nc3)cn2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653733795 FF Annotated Bother C[C@@]1(COc2ccc(-c3ccc(F)cn3)cn2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653733808 FF Annotated Bother C[C@]1(COc2ccc(-c3ccc(F)cn3)cn2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653733809 FF Annotated Bother O=c1c2cccnc2ncn1Cc1noc(CCc2ccc(Cl)cc2)n1 ZINC000653735443 FF Annotated Anodyne O=c1c2cccnc2ncn1Cc1nc(CCc2ccc(Cl)cc2)no1 ZINC000653735491 FF Annotated Anodyne O=c1c2cccnc2ncn1Cc1nnc(CCc2ccc(Cl)cc2)o1 ZINC000653735914 FF Annotated Anodyne COc1ccc2c(OCCn3c(=O)oc4cc(N)ccc43)ccnc2c1 ZINC000653737708 FF Annotated Anodyne Cc1ccn2c(C(=O)NCCC(=O)OCc3ccccc3)c(C)nc2c1 ZINC000653739137 FF Annotated Anodyne CC(=O)O[C@@H](C/C=C1/C=CC(=O)O1)C[C@@H](O)C[C@H](O)/C=C/c1ccccc1 ZINC000653739150 FF Annotated Anodyne CC(=O)O[C@@H](C[C@H](O)/C=C/c1ccccc1)C[C@@H](O)C/C=C1/C=CC(=O)O1 ZINC000653739160 FF Annotated Anodyne C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2nc([N+](=O)[O-])cc2O1 ZINC000653743805 FF Annotated Bother C[C@@]1(COc2ccc(OC(F)(F)F)cc2)Cn2nc([N+](=O)[O-])cc2O1 ZINC000653743806 FF Annotated Bother COCCOc1ccncc1C(=O)Nc1nsc2ccc([N+](=O)[O-])cc12 ZINC000653745156 FF Annotated Bother Cc1noc(-c2nc(C)c3c(c2N)C(=O)N([C@@H](C)c2ccccc2)C3=O)n1 ZINC000653748019 FF Annotated Anodyne Cc1noc(-c2nc(C)c3c(c2N)C(=O)N([C@H](C)c2ccccc2)C3=O)n1 ZINC000653748021 FF Annotated Anodyne COC(=O)c1cccc(Cn2ccc3cc(OC)c(OC)cc3c2=O)c1 ZINC000653748864 FF Annotated Anodyne CN(Cc1ccco1)c1cc(-c2nccs2)nc(NCCC(=O)O)n1 ZINC000653751717 FF Annotated Anodyne Nc1ncc(-c2cc(N3CCC3)nc(N3CC4CC3C4)n2)cc1OC(F)F ZINC000653752951 FF Annotated Anodyne CN(C)CCN=c1nc(-c2[nH]c3ccccc3c2C=O)[nH]c2ccccc12 ZINC000653754318 FF Annotated Anodyne Cc1nc2cnc(Nc3ccnc(N4CCC(O)CC4)n3)cc2n1C(C)C ZINC000653755588 FF Annotated Anodyne O=C(NCCO)c1cccc(-c2cn3c(-c4cccs4)cnc3cn2)c1 ZINC000653755624 FF Annotated Anodyne O=C(NCCO)c1ccc(-c2cn3c(-c4cccs4)cnc3cn2)cc1 ZINC000653755667 FF Annotated Anodyne COC(=O)c1ccc(CNC(=O)c2coc(-c3ccccc3O)n2)cc1 ZINC000653757082 FF Annotated Anodyne Cc1[nH]nc(O)c1[C@@H](c1ccc(Cl)cc1)c1c(O)nc(S)nc1O ZINC000653764472 FF Annotated Anodyne CCCCc1cc(=O)oc2c(C)c(O)c(-c3ccnc4nnnn34)cc12 ZINC000653764481 FF Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2cn3c(-c4cccnc4)cnc3cn2)c1 ZINC000653767981 FF Annotated Anodyne O=C(NCCO)c1ccc(-c2cn3c(-c4ccsc4)cnc3cn2)cc1 ZINC000653768955 FF Annotated Anodyne Nc1ncc(-c2cc(N3CC(F)C3)nc(C3CC3)n2)cc1OC(F)F ZINC000653769226 FF Annotated Anodyne CN(C)c1ccc(/C=C/C(=N/NC(=N)N)c2cccc([N+](=O)[O-])c2)cc1 ZINC000653774505 FF Annotated Mild CCCN(C[C@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O ZINC000653776565 FF Annotated Anodyne CCCN(C[C@@H](O)Cn1c2ccccc2c2ccccc21)S(C)(=O)=O ZINC000653776566 FF Annotated Anodyne Cc1cc(COc2cccc(S(C)(=O)=O)c2)nc(-c2ccccn2)n1 ZINC000653779514 FF Annotated Anodyne N#Cc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc32)cc1 ZINC000653783798 FF Annotated Mild Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3ccccc3S(C)(=O)=O)nc21 ZINC000653784819 FF Annotated Anodyne O=C(Nc1cc(-c2ccccn2)[nH]n1)N1CCC(Oc2ccccn2)CC1 ZINC000653784854 FF Annotated Anodyne CC(C)N1C(=O)CN(Cc2ccc(-c3ccc(CC(=O)O)cc3)cn2)C1=O ZINC000653786005 FF Annotated Anodyne CC(=O)c1cc(-c2cccc3nccn23)c2cc(N3CCNCC3)ccn12 ZINC000653786083 FF Annotated Anodyne Nc1nc(C(=O)NCc2cccc3cccnc23)c2cc(F)c(F)cc2n1 ZINC000653786707 FF Annotated Anodyne N#Cc1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12 ZINC000653786727 FF Annotated Mild O=c1c2cc(F)ccc2nc(S)n1NC(=S)Nc1cccc(F)c1 ZINC000653787402 FF Annotated Anodyne COc1cc(-c2[nH]nnc2-c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000653788034 FF Annotated Anodyne O=C(CCn1cc(-c2cc3cccnc3[nH]2)nn1)c1c[nH]c2ncccc12 ZINC000653788995 FF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(N3CCCCC3)cc1)C2 ZINC000653789003 FF Annotated Bother CC(C)c1nc(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c2ccccn12 ZINC000653790993 FF Annotated Anodyne CC(C)c1nc(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)c2ccccn12 ZINC000653790994 FF Annotated Anodyne C/C(=N\N=C1/SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000653792915 FF Annotated Mild N=c1nc(-c2ccccn2)[nH]n1-c1ncnc2cc(OC(F)(F)F)ccc12 ZINC000653792948 FF Annotated Anodyne CC(C)c1nc(C(=O)NC[C@H]2[C@@H]3CN(C4CCC4)C[C@H]23)c2ccccn12 ZINC000653793035 FF Annotated Anodyne Cc1cc(COc2ccc(S(C)(=O)=O)cc2)nc(-c2ccccn2)n1 ZINC000653793230 FF Annotated Anodyne Nc1nc(C(=O)NCc2cccc3c2NCCC3)c2cccc(F)c2n1 ZINC000653793970 FF Annotated Anodyne O=C(CCn1nncc1-c1cc2cccnc2[nH]1)c1c[nH]c2ncccc12 ZINC000653794378 FF Annotated Anodyne O=C1CSc2ccccc2N1Cc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000653794512 FF Annotated Bother O=C1CSc2ccccc2N1Cc1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000653794541 FF Annotated Bother C/C(CC(C)C)=N\N=C1/SCC(=O)N1CN1C(=O)c2ccccc2C1=O ZINC000653795219 FF Annotated Mild COC(=O)[C@H]1C[C@@H](C(=O)OC)[C@H]2ON=C(c3ccc4ccccc4c3)[C@@H]12 ZINC000653795227 FF Annotated Anodyne N#CC12CC3C[C@@H](C1)C(NC(=O)c1cnn4cc(Cl)cnc14)[C@@H](C3)C2 ZINC000653795367 FF Annotated Mild COc1ccc(Cn2c(C(=O)N3CCNCC3)cc3sccc32)cc1 ZINC000653795657 FF Annotated Anodyne N=C(N)Nc1ccc(CNc2c(C3CCNCC3)nc3ccccn23)cc1 ZINC000653796428 FF Annotated Anodyne CCn1cnc2c(CNC(=O)c3nc(N)nc4c(F)cccc34)cccc21 ZINC000653798081 FF Annotated Anodyne CCN1CCC[C@@H]1C(=O)NC12C[C@H]3CC(O)(C[C@@H](C1)c1ccccc13)C2 ZINC000653798372 FF Annotated Anodyne O=C(CCn1nncc1-c1c[nH]c2ncccc12)c1c[nH]c2ncccc12 ZINC000653799337 FF Annotated Anodyne Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)c1ccccc1 ZINC000653802223 FF Annotated Reactive O=C(c1nc2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1)N1CCOCC1 ZINC000653803771 FF Annotated Bother CCOC(=O)c1ccc(N2C(=O)N/C(=C\c3ccc(O)cc3)C2=O)cc1 ZINC000653804880 FF Annotated Anodyne C=CCC/C(C)=N/N=C1\SCC(=O)N1CN1C(=O)c2ccccc2C1=O ZINC000653804895 FF Annotated Mild CC(C)c1nc(C(=O)NC2CCN(C3CCOCC3)CC2)c2ccccn12 ZINC000653805027 FF Annotated Anodyne CC(=O)c1cc(-c2cc(C(=O)O)ccn2)c2cc(N3CCOCC3)ccn12 ZINC000653808004 FF Annotated Anodyne Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(S(C)(=O)=O)c3)nc21 ZINC000653809953 FF Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C(c3ccco3)C[C@H]2c2ccco2)cc1 ZINC000653810014 FF Annotated Anodyne NS(=O)(=O)c1ccc(N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1 ZINC000653810017 FF Annotated Anodyne COc1cc2[nH]c3c(c2cc1C)C[C@H]1C(=O)N[C@@H](C)C(=O)N1[C@H]3CC(C)C ZINC000653810032 FF Annotated Anodyne CN(C)CCNC(=O)c1cc2cc(Cl)cc(Br)c2oc1=O ZINC000653810107 FF Annotated Anodyne Cc1cc(COc2ccccc2S(C)(=O)=O)nc(-c2ccccn2)n1 ZINC000653811085 FF Annotated Anodyne COc1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)S[C@H]2C)cc1 ZINC000653813432 FF Annotated Anodyne COc1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)S[C@@H]2C)cc1 ZINC000653813433 FF Annotated Anodyne O=c1nc(O)c(F)cn1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000653817001 FF Annotated Anodyne Cc1ccccc1NC(=O)NC(=O)COc1nc2ccccc2nc1C ZINC000653817114 FF Annotated Anodyne CCCn1c(=O)ccc2c(-c3cnc(-c4ccc(CO)nc4)s3)[nH]nc21 ZINC000653819712 FF Annotated Clean O=C1OCC2=C1[C@@H](c1cccc3c1OCO3)c1cc3c(cc1N2)OCO3 ZINC000653821694 FF Annotated Anodyne O=C1OCC2=C1[C@H](c1cccc3c1OCO3)c1cc3c(cc1N2)OCO3 ZINC000653821695 FF Annotated Anodyne COc1ccc([C@@H]2CSc3nnc(-c4n[nH]c5c4CCC5)n3N2)cc1 ZINC000653822657 FF Annotated Anodyne COc1ccc([C@H]2CSc3nnc(-c4n[nH]c5c4CCC5)n3N2)cc1 ZINC000653822658 FF Annotated Anodyne O=c1oc2ccc(Br)cc2c(=O)n1-c1ccc(F)cc1F ZINC000653825893 FF Annotated Anodyne Cc1c(C(=O)CSc2nc3ccccc3[nH]2)[n+](=O)c2ccccc2n1O ZINC000653827655 FF Annotated Anodyne CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(S(C)(=O)=O)cc1 ZINC000653829497 FF Annotated Reactive CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(S(C)(=O)=O)cc1 ZINC000653829498 FF Annotated Reactive O=c1oc2ccc(F)cc2c(=O)n1-c1ccc(Br)cc1F ZINC000653830178 FF Annotated Anodyne CS(=O)(=O)Nc1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12 ZINC000653831411 FF Annotated Anodyne Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1c(C)n[nH]c1C ZINC000653833320 FF Annotated Anodyne Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1cccnc1 ZINC000653833432 FF Annotated Anodyne CCN(CC)C(=O)c1ccc(-c2cc(C3=CC(=O)C=CC3=O)no2)s1 ZINC000653833451 FF Annotated Mild CCCN(C)C(=O)c1ccc(-c2cc(C3=CC(=O)C=CC3=O)no2)s1 ZINC000653833454 FF Annotated Mild C[C@@H]1CN(C(=O)C(C)(C)C)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000653834983 FF Annotated Bother C[C@H]1CN(C(=O)C(C)(C)C)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000653834984 FF Annotated Bother O=C1C=CC(=O)C(c2cc(-c3ccc(C(=O)N4CCCC4)s3)on2)=C1 ZINC000653835479 FF Annotated Mild O=C1C=CC(=O)C(c2cc(-c3ccc(C(=O)NCC4CC4)s3)on2)=C1 ZINC000653835488 FF Annotated Mild Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccccn1 ZINC000653837910 FF Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(CNc3ccc(O)cc3)n(C)c(=O)c12 ZINC000653838770 FF Annotated Anodyne CC(=O)N1CCN(C(=O)c2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000653841643 FF Annotated Anodyne CC1(C)NC(=O)c2ccc(-n3c(O)nc4ncccc43)cc2N1CC1CC1 ZINC000653844014 FF Annotated Anodyne COc1cc2[nH]c3c(c2cc1C)C[C@@H]1C(=O)N[C@@H](C)C(=O)N1[C@H]3CC(C)C ZINC000653845335 FF Annotated Anodyne CC(C)(O)[C@]12O[C@H]1C[C@H]1C(=CC[C@H]3[C@](C)(C(=O)O)CCC[C@]13C)[C@H]2O ZINC000653845463 FF Annotated Anodyne COC(=O)c1cc2cc(-c3ccc(OC)cc3)n(OC)c2cc1C(=O)OC ZINC000653846221 FF Annotated Anodyne CC(C)[C@@]12CC[C@@H]3[C@@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4CC(=O)[C@]3(O)[C@@H]1O2 ZINC000653848795 FF Annotated Anodyne NC(=O)C[C@@H](C1CCCCC1)n1cc(Nc2ncc3ccnc-3[nH]2)cn1 ZINC000653849057 FF Annotated Anodyne NC(=O)C[C@H](C1CCCCC1)n1cc(Nc2ncc3ccnc-3[nH]2)cn1 ZINC000653849058 FF Annotated Anodyne O=c1nc(O)cc(COCc2ccccc2)n1COCc1ccccc1 ZINC000653850061 FF Annotated Anodyne CC(C)(O)[C@]12O[C@H]1C[C@@H]1[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3CC[C@@]13O[C@@H]23 ZINC000653850796 FF Annotated Anodyne CCN(Cc1cc(=O)n2c(CCO)c(C)sc2n1)c1ccc(F)cc1 ZINC000653850988 FF Annotated Anodyne O=C1NCCN1CCOc1nn(-c2ccccc2F)c2ccc(F)cc12 ZINC000653852791 FF Annotated Anodyne O=C(COc1nn(-c2ccccc2F)c2ccc(F)cc12)N1CCOCC1 ZINC000653852803 FF Annotated Anodyne CCNC(=O)c1c(C)sc2nc(CN(C)c3ccc(F)cc3)cc(=O)n12 ZINC000653853882 FF Annotated Anodyne CCNC(=O)c1c(C)sc2nc(COc3ccc(F)cc3)cc(=O)n12 ZINC000653853926 FF Annotated Anodyne CCNC(=O)c1c(C)sc2nc(CNc3ccc(F)cc3)cc(=O)n12 ZINC000653854049 FF Annotated Anodyne Cc1sc2nc(Cc3cccc(C#N)c3F)cc(=O)n2c1[C@@H]1C[C@H]1CO ZINC000653856265 FF Annotated Mild Cc1sc2nc(Cc3cccc(C#N)c3F)cc(=O)n2c1[C@H]1C[C@@H]1CO ZINC000653856267 FF Annotated Mild Cc1sc2nc(Cc3cccc(C#N)c3F)cc(=O)n2c1[C@@H]1C[C@@H]1CO ZINC000653856268 FF Annotated Mild Cc1sc2nc(Cc3cccc(C#N)c3F)cc(=O)n2c1[C@H]1C[C@H]1CO ZINC000653856269 FF Annotated Mild Nc1nc(O)c2nc(SCc3ccc(Br)cc3)[nH]c2n1 ZINC000653858598 FF Annotated Anodyne C/C(=N/N=C1\SCC(=O)N1Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000653859578 FF Annotated Mild Nc1nc(O)c2nc(SCc3cccc(Br)c3)[nH]c2n1 ZINC000653864066 FF Annotated Anodyne Nc1nc(O)c2nc(SCc3ccccc3Br)[nH]c2n1 ZINC000653866654 FF Annotated Anodyne Cc1cc(=Nc2ccc(C(=O)NCCF)c(F)c2)nc(-c2ccncc2)[nH]1 ZINC000653874635 FF Annotated Anodyne CCn1cc(-c2csc(N)n2)c(=O)c2cc(F)c(N3CCOCC3)cc21 ZINC000653887150 FF Annotated Anodyne COC(=O)c1ccc(C2=C[C@@H]3C[C@@]4(OC(=O)C=C24)[C@H]2CCCCN32)cc1 ZINC000653887488 FF Annotated Anodyne O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@H](Cn2ccnc2)C1 ZINC000653888056 FF Annotated Anodyne O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@@H](Cn2ccnc2)C1 ZINC000653888057 FF Annotated Anodyne CN(C)c1ccc(C#CC2=C[C@@H]3C[C@@]4(OC(=O)C=C24)[C@H]2CCCCN32)cc1 ZINC000653893420 FF Annotated Mild C/C(=N\N=C1/SCC(=O)N1Cc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000653895408 FF Annotated Mild N#CN/C(=N/CCCc1ccccc1)NC[C@H]1CC[C@H](c2cnc[nH]2)C1 ZINC000653895410 FF Annotated Mild COc1cc(-c2cn(C)c(=O)c3cccnc23)cc(OC)c1CN(C)C ZINC000653897526 FF Annotated Anodyne COc1cc(-c2cn(C)c(=O)c3ncccc23)cc(OC)c1CN(C)C ZINC000653899381 FF Annotated Anodyne COc1cc(-c2cn(C)c(=O)c3ccncc23)cc(OC)c1CN(C)C ZINC000653899403 FF Annotated Anodyne COc1c(C)cc(S(=O)(=O)N2CCC[C@@H](Cn3ccnc3)C2)cc1C ZINC000653905707 FF Annotated Anodyne COc1c(C)cc(S(=O)(=O)N2CCC[C@H](Cn3ccnc3)C2)cc1C ZINC000653905708 FF Annotated Anodyne COc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3ccnc3)C2)c(C)c1C ZINC000653905718 FF Annotated Anodyne COc1ccc(S(=O)(=O)N2CCC[C@H](Cn3ccnc3)C2)c(C)c1C ZINC000653905719 FF Annotated Anodyne Nc1nc(O)c2nc(SCc3cccc(OC(F)(F)F)c3)[nH]c2n1 ZINC000653915589 FF Annotated Anodyne NC(=O)c1cncc(OCc2cccc(NC(=O)/C=C/c3ccccn3)c2)c1 ZINC000653916357 FF Annotated Anodyne N#CN/C(=N/CCCc1ccccc1)NC[C@@H]1CC[C@H](c2cnc[nH]2)C1 ZINC000653916358 FF Annotated Mild CCCc1c(COc2ccc(/C=N/NC(=N)N)cc2)ccc(C(C)=O)c1O ZINC000065731071 FF Annotated Mild in-vitro CCN/C(=N\C1=NC(=O)C(=O)N1C(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000066065945 FF Annotated Mild CCc1cnc(N2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)nc1 ZINC000066065967 FF Annotated Bother COc1ccccc1CCN(C)c1cc(-c2ccncn2)cc(=O)n1C ZINC000066066263 FF Annotated Anodyne NC(=O)[C@H]1CCC[C@@H](N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)C1 ZINC000066075822 FF Annotated Anodyne NC(=O)[C@H]1CCC[C@H](N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)C1 ZINC000066075824 FF Annotated Anodyne NC(=O)[C@@H]1CCC[C@@H](N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)C1 ZINC000066075827 FF Annotated Anodyne NC(=O)[C@@H]1CCC[C@H](N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)C1 ZINC000066075829 FF Annotated Anodyne CCCOC(=O)CCNC(=S)Nc1cc(OC)c(Cl)cc1OC ZINC000066076573 FF Annotated Anodyne O=C(O)c1cc(CN2CCc3cc(F)ccc3C2)c2ccccn2c1=O ZINC000066076961 FF Annotated Anodyne CCOC(=O)CCCNC(=S)Nc1cc(OC)c(Cl)cc1OC ZINC000066077179 FF Annotated Anodyne CCCNC(=O)CCCNC(=S)Nc1cc(OC)c(Cl)cc1OC ZINC000066077184 FF Annotated Anodyne O=C1c2ccc(-c3ccc(Br)s3)nc2CCC1(CO)CO ZINC000066077288 FF Annotated Anodyne CCCCCCn1cc2c(n1)CCc1c-2sc(NC(N)=O)c1C(N)=O ZINC000066078634 FF Annotated Anodyne O=C(O)c1cc(CN2CCC(c3ccncc3)CC2)c2ccccn2c1=O ZINC000066078993 FF Annotated Anodyne CCCOCCCNC(=S)Nc1cc(OC)c([N+](=O)[O-])cc1OC ZINC000066080004 FF Annotated Bother CCC(=O)OCCCNC(=S)Nc1cc(OC)c(Cl)cc1OC ZINC000066098471 FF Annotated Anodyne CCCCCNc1nc(N(C)Cc2ccco2)c2ncn(CC(=O)O)c2n1 ZINC000066100317 FF Annotated Anodyne Cn1cc(-c2cnn3c(N)c(Br)c(-c4cccnc4)nc23)cn1 ZINC000066100799 FF Annotated Anodyne CO/N=C(/N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)cc3)o2)cc1 ZINC000066101038 FF Annotated Mild CCCCCNc1nc(N(C)CCC(C)C)c2ncn(CC(=O)O)c2n1 ZINC000066101584 FF Annotated Anodyne C=CCn1cc(C(=O)O)c(=O)c2ccc3c(nnn3Cc3ccccc3)c21 ZINC000066102422 FF Annotated Mild CCN1CCC(n2cc(-c3nnc(-c4cccc(OC)c4)o3)nn2)CC1 ZINC000066103069 FF Annotated Anodyne CS(=O)(=O)NCc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 ZINC000066103332 FF Annotated Anodyne CCc1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)n(O)c1=O ZINC000066103413 FF Annotated Anodyne C=C1[C@H](O)[C@H](O)[C@]2(C[C@H]3C(C)=CC[C@H]4C(C)(C)CCC[C@@]43C)O[C@@H]2[C@@H]1O ZINC000066103886 FF Annotated Mild CC(=O)c1ccc(-c2sc(N)nc2-c2ccc(P(=O)(O)O)o2)cc1 ZINC000066112057 FF Annotated Anodyne COc1ccc(N2CC[N+]3(CC2)CCN(c2ccc(OC)cc2)CC3)cc1 ZINC000066112167 FF Annotated Clean CC(/C=C/C(=O)NO)=C\[C@H](C)S(=O)(=O)c1cnc2cc(C)ccc2c1 ZINC000066112328 FF Annotated Bother CC(/C=C/C(=O)NO)=C\[C@@H](C)S(=O)(=O)c1cnc2cc(C)ccc2c1 ZINC000066112329 FF Annotated Bother COc1ccccc1CCCNc1cc(-c2ccncn2)cc(=O)n1C ZINC000066113353 FF Annotated Anodyne C[C@@H](NC(=O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(=O)O ZINC000066113614 FF Annotated Anodyne O=C1CCCC2=C1[C@@H](c1ccco1)[C@@H](NC(=O)c1ccccc1)C(=O)O2 ZINC000066113715 FF Annotated Mild O=C1CCCC2=C1[C@@H](c1ccco1)[C@H](NC(=O)c1ccccc1)C(=O)O2 ZINC000066113717 FF Annotated Mild O=C1CCCC2=C1[C@H](c1ccco1)[C@@H](NC(=O)c1ccccc1)C(=O)O2 ZINC000066113719 FF Annotated Mild O=C1CCCC2=C1[C@H](c1ccco1)[C@H](NC(=O)c1ccccc1)C(=O)O2 ZINC000066113721 FF Annotated Mild Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)n(C)n1 ZINC000066114169 FF Annotated Anodyne Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccc2F)n(C)n1 ZINC000066114170 FF Annotated Anodyne C[C@H](NC(=O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(=O)O ZINC000066114452 FF Annotated Anodyne C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000066136519 FF Annotated Mild COc1ccc(-c2cc(CO)n(C[C@H](O)c3ccc(OC)cc3)n2)cc1 ZINC000066166622 FF Annotated Anodyne COc1ccc(-c2cc(CO)n(C[C@@H](O)c3ccc(OC)cc3)n2)cc1 ZINC000066166624 FF Annotated Anodyne O=C(O)c1c(CN2C(=O)Cc3cc(Cl)ccc32)ccc2c1OCCO2 ZINC000066166930 FF Annotated Anodyne COc1cc2c(c(OC)c1)[C@H](/C=C/c1ccccc1)[C@H]([C@H](O)CO)OC2 ZINC000066167276 FF Annotated Anodyne COCC(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@H](C)C3 ZINC000066167328 FF Annotated Anodyne O=C1[C@@H](Cl)[C@@H](c2ccccc2)N1/N=C/CCn1nnc2ccccc21 ZINC000066251225 FF Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccccc2)N1/N=C/CCn1nnc2ccccc21 ZINC000066251226 FF Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccccc2)N1/N=C/CCn1nnc2ccccc21 ZINC000066251227 FF Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccccc2)N1/N=C/CCn1nnc2ccccc21 ZINC000066251228 FF Annotated Reactive COc1ccc(-c2nc(-c3cc4c(c(OC)c3OC)OCO4)no2)cc1O ZINC000066251265 FF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cncc(-c3ccc(F)cc3)c1)C2 ZINC000066251775 FF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)nc3)cc1)C2 ZINC000066251787 FF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1cccnc1)C2 ZINC000066252010 FF Annotated Bother COc1ccc(/C=N/N(C(=O)c2ccc(N)cc2)C(=O)c2cccnc2)cc1 ZINC000066252089 FF Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1ccc(F)nc1)C2 ZINC000066252222 FF Annotated Bother Cc1cc(=O)n2c3ccccc3n(C[C@H](O)NCc3ccccc3)c2c1C#N ZINC000066252263 FF Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cncc(F)c3)cc1)C2 ZINC000066252304 FF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3cccnc3)c1)C2 ZINC000066252503 FF Annotated Bother Cc1cc(=O)n2c3ccccc3n(C[C@H](O)Nc3ccccc3)c2c1C#N ZINC000066258258 FF Annotated Mild O[C@@H]1O[C@@H](c2ccc3c(c2)OCO3)[C@@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]21 ZINC000066258396 FF Annotated Anodyne O[C@H]1O[C@@H](c2ccc3c(c2)OCO3)[C@@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@H]12 ZINC000066258397 FF Annotated Anodyne CC(=O)N[C@@H](CSC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)O ZINC000066258721 FF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(F)cc3)n1)C2 ZINC000066258796 FF Annotated Bother CO[C@@H]1CC=C2NN(c3ccc(C)cc3)C(=O)C[C@]2(c2ccncc2)O1 ZINC000066258808 FF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(F)nc3)c1)C2 ZINC000066258996 FF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccncc3)c1)C2 ZINC000066258998 FF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccccn3)cc1)C2 ZINC000066258999 FF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccncc3F)cc1)C2 ZINC000066259922 FF Annotated Bother NC(=O)[C@@H]1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1 ZINC000066260110 FF Annotated Anodyne NC(=O)[C@@H]1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1 ZINC000066260111 FF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)cc3)nc1)C2 ZINC000066260265 FF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)cn3)cc1)C2 ZINC000066261967 FF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)cc3)cn1)C2 ZINC000066262720 FF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cc(-c3ccc(F)cc3)ccn1)C2 ZINC000066262919 FF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccnc(-c3ccc(F)cc3)c1)C2 ZINC000066263121 FF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cccc(F)n3)cc1)C2 ZINC000066263207 FF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccncc3)cc1)C2 ZINC000066263498 FF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1ccncc1)C2 ZINC000066263626 FF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccccn3)c1)C2 ZINC000066263630 FF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccnc(F)c3)cc1)C2 ZINC000066263770 FF Annotated Bother COCCN/C=C1\C(=O)N(C)c2ccccc2N(c2cccs2)C1=O ZINC000066264061 FF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cccnc3)cc1)C2 ZINC000066264156 FF Annotated Bother Cc1cc2nc(SCC(=O)N3CCCC3)n(-c3ccccc3)c(=O)c2[nH]1 ZINC000067236631 FF Annotated Anodyne Cc1nonc1N1CCN(Cc2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000067817976 FF Annotated Anodyne O=C(c1cc(CC2(NCC3CCCCC3)COC2)no1)N1CCCCC1 ZINC000067898489 FF Annotated Anodyne CC(C)CC[C@@]1(O)c2cc3c(O)cccc3cc2C(=O)[C@H](C)[C@]1(O)C(=O)O ZINC000067911263 FF Annotated Anodyne COCCN(C)c1n[nH]c2ccc(C3C(C#N)=C(C)NC(C)=C3C#N)cc12 ZINC000068151704 FF Annotated Reactive O=C(O)c1cn(Cc2ccc3c(c2)OCCO3)c2cccc(F)c2c1=O ZINC000068204772 FF Annotated Anodyne COc1cc(/C=C2\CCCN3C(=O)CON=C23)ccc1-n1cnc(C)c1 ZINC000068205888 FF Annotated Anodyne CCNC(=O)c1nc(C)c(-c2ccc3[nH]c(-c4nc(C)no4)cc3c2)[nH]1 ZINC000068208324 FF Annotated Anodyne FCCn1ccc2ccc(-c3nnc(N4CCN5CCC4CC5)o3)cc21 ZINC000068245922 FF Annotated Anodyne C/C(=N\O)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1 ZINC000068248541 FF Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@H](COCc1ccc(OC(F)(F)F)cc1)C2 ZINC000068248634 FF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](COCc1ccc(OC(F)(F)F)cc1)C2 ZINC000068248636 FF Annotated Anodyne O=C(N[C@@H]1CCCNC1)c1ccnc2nc(-c3ccc(Cl)cc3)[nH]c12 ZINC000068249338 FF Annotated Anodyne O=C(N[C@H]1CCCNC1)c1ccnc2nc(-c3ccc(Cl)cc3)[nH]c12 ZINC000068249340 FF Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cccnc3)c(OCCOC)nc2s1 ZINC000069063228 FF Annotated Anodyne COC(=O)c1ccc2c(c1)C[C@@H](OC(C)=O)[C@@](C)(C/C=C/C(C)(C)O)O2 ZINC000069482042 FF Annotated Anodyne in-vitro biogenic CC(=O)OC1=C[C@H]2C(=C(C)C)C(=O)C[C@@H](C)[C@]2(O)[C@H]2C=C(C)C(=O)[C@@H]2C1 ZINC000069482055 FF Annotated Mild in-vitro biogenic COc1ccc(-n2ncc(C(=O)N3CCCCC3)c2C2CCNCC2)cc1 ZINC000007000423 FF Annotated Anodyne CCN1CCN(C(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)CC1 ZINC000007000784 FF Annotated Anodyne CCCN1CCN(C(=O)c2oc3ccccc3c2NC(=O)C2CC2)CC1 ZINC000007001596 FF Annotated Anodyne CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C ZINC000007005335 FF Annotated Anodyne CCN1CCC[C@H]1CNS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C ZINC000007005337 FF Annotated Anodyne COc1cccc(-c2n[nH]c(SCc3cc(=O)n4oc(C)cc4n3)n2)c1 ZINC000007007193 FF Annotated Anodyne COCn1ccnc1C(O)(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000007078394 FF Annotated Anodyne COC(=O)[C@@]1(C=O)CCCc2c1ccc1c2C(=O)C(=O)c2c(C)coc2-1 ZINC000070454960 FF Annotated Mild in-vitro biogenic C[C@@]1([C@@H](O)CCO)C=C2CC[C@H]3[C@@](C)(C[C@@H](O)C[C@@]3(C)CO)[C@@H]2CC1 ZINC000070455256 FF Annotated Anodyne in-vitro biogenic O[C@H]1O[C@@H](c2ccc3c(c2)OCO3)[C@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]12 ZINC000070455412 FF Annotated Anodyne in-vitro biogenic COC1=C(OC(=O)CCc2ccc(O)c(OC)c2)C=C[C@H](/C=C/C(=O)O)C1 ZINC000070455499 FF Annotated Anodyne in-vitro biogenic COc1cc([N+](=O)[O-])ccc1-c1nn2c(-c3ccccn3)nnc2s1 ZINC000070459653 FF Annotated Bother C[C@H]1C[C@@H](C)C(=O)/C=C/C=C/[C@H](C)[C@@H](C)OC(=O)CC(=O)[C@H](C)[C@H]1O ZINC000070647083 FF Annotated Mild in-vitro Cc1ccsc1[C@@H](CNC(=O)c1cc(=O)c2ccccc2[nH]1)N(C)C ZINC000071278813 FF Annotated Anodyne Cc1ccsc1[C@H](CNC(=O)c1cc(=O)c2ccccc2[nH]1)N(C)C ZINC000071278814 FF Annotated Anodyne COc1ccc(OC)c(-c2cccc3c(N)c(C(=O)NC4CC4)nnc23)c1 ZINC000071280887 FF Annotated Anodyne NC1=N[C@H](C2CCCCC2)NC(NCCCOc2ccc(Cl)cc2)=N1 ZINC000071281233 FF Annotated Anodyne NC1=N[C@@H](C2CCCCC2)NC(NCCCOc2ccc(Cl)cc2)=N1 ZINC000071281236 FF Annotated Anodyne O=C1C=C(N2CCN(c3ccc(F)cc3)CC2)C(=O)c2c(O)cccc21 ZINC000071282222 FF Annotated Mild CN(C)CCn1c(=O)c2cc3c(cc2c2ccc4ncccc4c21)OCO3 ZINC000071294543 FF Annotated Bother NC1=N[C@H](c2ccccc2)NC(NCCCOc2ccccc2Cl)=N1 ZINC000071294707 FF Annotated Anodyne NC1=N[C@@H](c2ccccc2)NC(NCCCOc2ccccc2Cl)=N1 ZINC000071294708 FF Annotated Anodyne O=C(c1[nH]nc2c1CCC2)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O ZINC000071295326 FF Annotated Clean O=C(c1[nH]nc2c1CCC2)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O ZINC000071295327 FF Annotated Clean C[C@@H]1NC(c2ccc(=O)[nH]c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 ZINC000071295818 FF Annotated Anodyne CCNC(=O)c1nnc2c(-c3cc(OC)ccc3OC)c(F)ccc2c1N ZINC000071295833 FF Annotated Anodyne O=C1C(N2CCN(c3ccc(F)cc3)CC2)=CC(=O)c2c(O)cccc21 ZINC000071295891 FF Annotated Mild C[C@@]1(Br)C(=O)c2ccccc2S(=O)(=O)[C@@H]1Br ZINC000071296369 FF Annotated Reactive CC(C)(C)N/C(O)=N/S(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000071296526 FF Annotated Mild CC(C)(C)N/C(O)=N/S(=O)(=O)c1cnccc1N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000071296527 FF Annotated Mild Cc1nc(N)nc(-n2c(Nc3ccc4cn[nH]c4c3)nc3ccccc32)n1 ZINC000071296903 FF Annotated Anodyne CCN(CCF)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12 ZINC000071316055 FF Annotated Anodyne C#CCNCCC(=O)Nc1ccc2cc3ccc(NC(C)=O)cc3nc2c1 ZINC000071316409 FF Annotated Mild CCCNc1nc(S(C)(=O)=O)nc2c1cnn2/C=C\c1ccccc1 ZINC000071316497 FF Annotated Anodyne Cc1nnc(-c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)o1 ZINC000071316728 FF Annotated Anodyne CC1=C2OCCCCN3C(=O)[C@@](O)(c4cc(C)ccc43)[C@@]2(C)SC1=O ZINC000071317095 FF Annotated Mild CC1=C2OCCCCN3C(=O)[C@](O)(c4cc(C)ccc43)[C@@]2(C)SC1=O ZINC000071317096 FF Annotated Mild CC1=C2OCCCCN3C(=O)[C@](O)(c4cc(C)ccc43)[C@]2(C)SC1=O ZINC000071317097 FF Annotated Mild Cc1ccc(N2C(=O)CS/C2=N\N=C2/C(=O)Nc3ccccc32)cc1 ZINC000071317103 FF Annotated Mild CN1C[C@H](C(=O)N2CC[C@@](O)(c3ccccc3)[C@@H]3CCCC[C@@H]32)CCC1=O ZINC000071317270 FF Annotated Anodyne CN1C[C@@H](C(=O)N2CC[C@@](O)(c3ccccc3)[C@@H]3CCCC[C@@H]32)CCC1=O ZINC000071317271 FF Annotated Anodyne CCc1c(Cc2ccccc2)c(=O)n(O)c(=O)n1COCc1ccccc1 ZINC000071317572 FF Annotated Anodyne O=C(O)c1ccccc1[C@H]1SC[C@@H](C(=O)O)N1C(=O)Cc1ccccc1 ZINC000071317679 FF Annotated Anodyne O=C(O)c1ccccc1[C@@H]1SC[C@@H](C(=O)O)N1C(=O)Cc1ccccc1 ZINC000071317680 FF Annotated Anodyne CC(C)(C)N/C(O)=N/S(=O)(=O)c1cnccc1N[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000071317699 FF Annotated Mild CCOC(=O)[C@@](O)(c1c(C)[nH]c2ccc(C(=O)OC)cc12)C(F)(F)F ZINC000071317718 FF Annotated Anodyne CCOC(=O)[C@](O)(c1c(C)[nH]c2ccc(C(=O)OC)cc12)C(F)(F)F ZINC000071317719 FF Annotated Anodyne Cc1nc(N)nc(-n2c(Nc3[nH]nc4ccccc34)nc3ccccc32)n1 ZINC000071317791 FF Annotated Anodyne NC(=O)c1ccsc1NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000071318035 FF Annotated Anodyne N#Cc1ccc([C@H]2SC[C@@H](C(=O)O)N2C(=O)Cc2ccccc2)cc1 ZINC000071318078 FF Annotated Mild N#Cc1ccc([C@@H]2SC[C@@H](C(=O)O)N2C(=O)Cc2ccccc2)cc1 ZINC000071318079 FF Annotated Mild Cc1nc(NCC#N)nc(-n2c(Nc3cccc(O)c3)nc3ccccc32)n1 ZINC000071318113 FF Annotated Mild O=C(c1ccccc1)c1c(C(F)F)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-] ZINC000071318734 FF Annotated Anodyne CC(C)(C)N/C(O)=N/S(=O)(=O)c1cnccc1O[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000071318858 FF Annotated Mild CC(C)(C)C(=O)c1c(C(F)(F)F)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-] ZINC000071329328 FF Annotated Anodyne CC1=C2OCCCCCN3C(=O)[C@@](O)(c4ccccc43)[C@@]2(C)SC1=O ZINC000071330758 FF Annotated Mild CC1=C2OCCCCCN3C(=O)[C@@](O)(c4ccccc43)[C@]2(C)SC1=O ZINC000071330760 FF Annotated Mild CC1=C2OCCCCCN3C(=O)[C@](O)(c4ccccc43)[C@@]2(C)SC1=O ZINC000071330762 FF Annotated Mild CC1=C2OCCCCCN3C(=O)[C@](O)(c4ccccc43)[C@]2(C)SC1=O ZINC000071330764 FF Annotated Mild CN1CCc2cc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)ccc21 ZINC000071332904 FF Annotated Clean CCCCCNC(=O)[C@@H]1N(Cc2ccccc2)C(=O)C2=C(C)[C@H]3C=C[C@]21O3 ZINC000071335041 FF Annotated Anodyne CN(C)CCn1cc2c([N+](=O)[O-])ccc3c2c1-c1ccccc1S3(=O)=O ZINC000071335198 FF Annotated Bother CCCCCNC(=O)[C@H]1N(Cc2ccccc2)C(=O)C2=C(C)[C@H]3C=C[C@]21O3 ZINC000071340317 FF Annotated Anodyne CCOc1ccc2/c(=N/NS(=O)(=O)c3ccc(C)cc3)cc(C)[nH]c2c1 ZINC000071341026 FF Annotated Anodyne CCOC(=O)[C@]12C(=O)OCC=C1CO[C@H]2c1ccc(Br)cc1 ZINC000071341164 FF Annotated Anodyne CCOC(=O)[C@@]12C(=O)OCC=C1CO[C@H]2c1ccc(Br)cc1 ZINC000071341165 FF Annotated Anodyne CCOC(=O)[C@]12C(=O)OCC=C1CO[C@@H]2c1ccc(Br)cc1 ZINC000071341166 FF Annotated Anodyne CCOC(=O)[C@@]12C(=O)OCC=C1CO[C@@H]2c1ccc(Br)cc1 ZINC000071341167 FF Annotated Anodyne O=C(O)c1cn(Cc2ccc3c(c2)CC[C@@H]3O)c2cccc(F)c2c1=O ZINC000071341532 FF Annotated Anodyne O=C(O)c1cn(Cc2ccc3c(c2)CC[C@H]3O)c2cccc(F)c2c1=O ZINC000071341533 FF Annotated Anodyne COc1ccc(CS(=O)(=O)/C=C/c2c(OC)cccc2OC)cc1N ZINC000071341575 FF Annotated Anodyne CCOc1ccc2/c(=N/NS(=O)(=O)c3ccccc3)cc(C)[nH]c2c1 ZINC000071405062 FF Annotated Anodyne Cn1cc2cc(Cn3cc(C(=O)O)c(=O)c4c(F)cccc43)ccc2n1 ZINC000071418556 FF Annotated Anodyne C[C@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2-c2ncc[nH]2)C[C@@H](C)O1 ZINC000071707783 FF Annotated Anodyne CCC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCC(C(=O)O)CC1 ZINC000071927997 FF Annotated Anodyne Cc1ccc(NC(=O)[C@@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1 ZINC000071928000 FF Annotated Anodyne Cc1ccc(NC(=O)[C@H]2CCCN2c2nnc(N3CCCC3=O)s2)cc1 ZINC000071928001 FF Annotated Anodyne O=C(Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)N1CCCCCC1 ZINC000071928011 FF Annotated Anodyne CC(C)CN1CCc2nc(N3CCN(c4ccccc4)CC3)ncc2C1 ZINC000071928116 FF Annotated Anodyne CS(=O)(=O)N1Cc2ccccc2C[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000071991850 FF Annotated Anodyne CS(=O)(=O)N1Cc2ccccc2C[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000071991852 FF Annotated Anodyne Cn1nc([C@@H]2CCCN2)c2c(C(=O)NCC(F)(F)F)cc(C3CC3)nc21 ZINC000071995141 FF Annotated Anodyne Cn1nc([C@H]2CCCN2)c2c(C(=O)NCC(F)(F)F)cc(C3CC3)nc21 ZINC000071995142 FF Annotated Anodyne Cc1cc(C(=O)NCc2ccc(F)cc2)c2c([C@@H]3CCNC3)noc2n1 ZINC000071995353 FF Annotated Anodyne Cc1cc(C(=O)NCc2ccc(F)cc2)c2c([C@H]3CCNC3)noc2n1 ZINC000071995354 FF Annotated Anodyne CC(C)S(=O)(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 ZINC000072100806 FF Annotated Anodyne CC(C)S(=O)(=O)N[C@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 ZINC000072100807 FF Annotated Anodyne O=C(C1CC1)N1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072101040 FF Annotated Anodyne O=C(C1CC1)N1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072101042 FF Annotated Anodyne Cc1ccc(/C(=N/O)N2CC[C@H](N(C)C)C2)c(OCc2cccc(F)c2)n1 ZINC000072101920 FF Annotated Mild Cc1ccc(/C(=N/O)N2CC[C@@H](N(C)C)C2)c(OCc2cccc(F)c2)n1 ZINC000072101921 FF Annotated Mild C=CCN1CCN(/C(=N\O)c2ccc(C)nc2OCc2ccccc2)CC1 ZINC000072102007 FF Annotated Mild COCCN/C(=N\O)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1 ZINC000072102052 FF Annotated Mild O=S1(=O)N[C@H](Cc2ccccc2)COc2cc(N3CCCCC3)ccc21 ZINC000072102422 FF Annotated Anodyne O=S1(=O)N[C@@H](Cc2ccccc2)COc2cc(N3CCCCC3)ccc21 ZINC000072102423 FF Annotated Anodyne Cc1noc(N2CCN([C@@H](c3ccc(C#N)cc3)c3cccnc3)CC2)n1 ZINC000072102953 FF Annotated Mild Cc1noc(N2CCN([C@H](c3ccc(C#N)cc3)c3cccnc3)CC2)n1 ZINC000072102954 FF Annotated Mild COc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCCN(C)CC2)cc1 ZINC000072103107 FF Annotated Mild Cc1ccc(/C(=N/O)N(C)C2CCN(C)CC2)c(Oc2cccnc2)n1 ZINC000072103219 FF Annotated Mild COc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCN(C)CC2)cc1 ZINC000072103448 FF Annotated Mild CCNC(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072103795 FF Annotated Anodyne CCNC(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072103796 FF Annotated Anodyne COCCN(CCOC)Cc1cc(=O)oc2cc(OC)c(Cl)cc12 ZINC000072104288 FF Annotated Anodyne COc1cc2oc(C)c(C(=O)N3CCCCC3)c2cc1OS(=O)(=O)O ZINC000072105080 FF Annotated Anodyne CCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccc(Br)cc1 ZINC000072106330 FF Annotated Anodyne CCOC(=O)c1c(C)oc2cc(OC(C)C)c(OS(=O)(=O)O)cc12 ZINC000072106736 FF Annotated Anodyne CCCc1ccccc1OS(=O)(=O)c1ccc(N2CCNC2=O)cc1 ZINC000072107758 FF Annotated Anodyne CC1(C)Oc2ccccc2[C@@H]2C1=CCn1c(=O)n(-c3ccccc3)c(=O)n12 ZINC000072107917 FF Annotated Anodyne CC1(C)Oc2ccccc2[C@H]2C1=CCn1c(=O)n(-c3ccccc3)c(=O)n12 ZINC000072107918 FF Annotated Anodyne O=C1NCC2(CNC2)c2[nH]c3c(c21)CCc1cnc(-c2cccc(F)c2)cc1-3 ZINC000072108129 FF Annotated Anodyne COC(=O)N1c2ccccc2[C@]23CCN4CC=C[C@]45CC[C@]12[C@@H](C5)C(=O)O3 ZINC000072108519 FF Annotated Anodyne O=C1NCCN1c1ccc(S(=O)(=O)Oc2cccc(Cl)c2)cc1 ZINC000072108520 FF Annotated Anodyne Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@](C)(O)CNc1ccccc1)CC2 ZINC000072108798 FF Annotated Anodyne Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@@](C)(O)CNc1ccccc1)CC2 ZINC000072108799 FF Annotated Anodyne COc1ccc([C@@H]2Oc3c(O)cc(/C=C/C=O)cc3[C@@H]2CO)cc1OC ZINC000072109373 FF Annotated Reactive Cc1cc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc(C)c1C ZINC000072110011 FF Annotated Anodyne O=C1NCCN1c1ccc(S(=O)(=O)Oc2ccccc2Cl)cc1 ZINC000072110320 FF Annotated Anodyne Cc1ccc(OS(=O)(=O)c2ccc(N3CCCNC3=O)cc2)c(C)c1 ZINC000072110405 FF Annotated Anodyne O=C1NCCCN1c1ccc(S(=O)(=O)Oc2cccc(F)c2)cc1 ZINC000072110827 FF Annotated Anodyne CCc1ccccc1OS(=O)(=O)c1ccc(N2CCCNC2=O)cc1 ZINC000072110927 FF Annotated Anodyne Cc1cc(C)c(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1C ZINC000072111290 FF Annotated Anodyne COc1ccc([C@@H]2Oc3c(OC)cc(/C=C/CO)cc3[C@H]2CO)cc1OC ZINC000072112051 FF Annotated Anodyne C=Cc1c(C)cc(O)c2c1[C@H](O)[C@@H](O)[C@@H]1[C@](C)(C(=O)OC)CC[C@@H]3C[C@]213 ZINC000072112690 FF Annotated Anodyne CC(=O)O[C@H]1C=CC(=O)O[C@@H]1[C@@H](O)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000072113135 FF Annotated Anodyne O=C(N/N=C/c1ccc2c(c1)no[n+]2[O-])c1ccc(Cl)cc1Cl ZINC000072113481 FF Annotated Reactive CC/N=C(\NC1=NC(=O)CN1C(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000072114918 FF Annotated Mild O=C(CCOc1nonc1-c1ccccc1)Oc1ccccc1C(=O)O ZINC000072118115 FF Annotated Anodyne C[C@@H]1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)[C@]1(Cc1ccccc1)C(=O)O ZINC000072118366 FF Annotated Bother Cc1c(Nc2csc3ncnc(N)c23)c(=O)n(-c2ccccc2)n1C ZINC000072120445 FF Annotated Anodyne CC1(C)CN(CCCO)C(=O)[C@@H]1Oc1ccc(C#N)c(C(F)(F)F)c1 ZINC000072120453 FF Annotated Mild CC1(C)CN(CCCO)C(=O)[C@H]1Oc1ccc(C#N)c(C(F)(F)F)c1 ZINC000072120454 FF Annotated Mild COc1cc2oc(C)c(C(=O)OC(C)(C)C)c2cc1OS(=O)(=O)O ZINC000072120590 FF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc(-c3ccc(F)cc3)nc1)C2 ZINC000072122769 FF Annotated Bother CNC(=O)c1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1 ZINC000072122985 FF Annotated Anodyne O=C(O)COc1ncnc2cc(-c3ccc4c(c3)CCC(=O)N4)sc12 ZINC000072124418 FF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cc(-c3ccc(F)cc3)ccn1)C2 ZINC000072124560 FF Annotated Bother C[C@@](O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1F ZINC000072124567 FF Annotated Anodyne C[C@](O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1F ZINC000072124568 FF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCCc1ccc(C(F)(F)F)nc1)C2 ZINC000072124594 FF Annotated Bother O=C1c2cc3c(cc2OCN1CCc1ccccc1)C(=O)N1CCC[C@H]1O3 ZINC000072124864 FF Annotated Anodyne O=C1c2cc3c(cc2OCN1CCc1ccccc1)C(=O)N1CCC[C@@H]1O3 ZINC000072124865 FF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccnc(-c3ccc(F)cc3)c1)C2 ZINC000072125165 FF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OC/C=C/c1ccc(C(F)(F)F)cn1)C2 ZINC000072125949 FF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OC/C=C/c1ccc(C(F)(F)F)nc1)C2 ZINC000072126011 FF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc(-c3ccc(F)cc3)cn1)C2 ZINC000072126025 FF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cccc(-c3ccc(F)cc3)n1)C2 ZINC000072126190 FF Annotated Bother O=C1N[C@@](c2ccccc2)(C2CC2)C(=O)N1CN1CCc2ccccc2C1 ZINC000072126205 FF Annotated Anodyne O=C1N[C@](c2ccccc2)(C2CC2)C(=O)N1CN1CCc2ccccc2C1 ZINC000072126206 FF Annotated Anodyne CCOC(=O)c1ccc(OCC[C@@H]2CN(c3ccc(C)nn3)CCO2)cc1 ZINC000072126996 FF Annotated Anodyne CCOC(=O)c1ccc(OCC[C@H]2CN(c3ccc(C)nn3)CCO2)cc1 ZINC000072126997 FF Annotated Anodyne COc1cc2c(cc1O)[C@H](CO)[C@H](c1ccc(CCCO)c(OC)c1)O2 ZINC000072127872 FF Annotated Anodyne CN1CCC(Cc2noc(-c3cn(Cc4ccccc4Cl)nn3)n2)CC1 ZINC000072132133 FF Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(Br)cc3[C@@H](O)[C@H]2O)c1 ZINC000072134917 FF Annotated Anodyne COc1cccc([C@H]2Oc3ccc(Br)cc3[C@@H](O)[C@@H]2O)c1 ZINC000072134918 FF Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(Br)cc3[C@@H](O)[C@@H]2O)c1 ZINC000072134919 FF Annotated Anodyne CCN1C(N(C)CCOC)=N[C@H](c2cccc(F)c2)C(C(=O)OC)=C1C ZINC000072135993 FF Annotated Anodyne CCCCN1C[C@@H](COC(=O)CCC)Oc2cccc(F)c2S1(=O)=O ZINC000072136673 FF Annotated Anodyne CCCN([C@@H](CO)C(C)C)S(=O)(=O)c1ccccc1Br ZINC000072138150 FF Annotated Anodyne O=S1(=O)N[C@H](Cc2ccccc2)COc2cc(Br)ccc21 ZINC000072138204 FF Annotated Anodyne CCCCCCN1CCN([C@@H]2CN(C3CCCCC3)S(=O)(=O)C2)CC1 ZINC000072139567 FF Annotated Anodyne CCCCCCN1CCN([C@H]2CN(C3CCCCC3)S(=O)(=O)C2)CC1 ZINC000072139568 FF Annotated Anodyne O=C1c2cc3ncn(CCc4ccccc4)c(=O)c3cc2O[C@@H]2CCCN12 ZINC000072141069 FF Annotated Anodyne O=C1c2cc3ncn(CCc4ccccc4)c(=O)c3cc2O[C@H]2CCCN12 ZINC000072141070 FF Annotated Anodyne O=S1(=O)c2ccc(Br)cc2N2CCC[C@H]2CN1C1CC1 ZINC000072141247 FF Annotated Anodyne CC(C)Cc1cc(CNc2nc(-c3cccnc3)nc3c2CNC3)no1 ZINC000072154854 FF Annotated Anodyne O=C1c2cc3c(cc2OCN1Cc1ccccc1)C(=O)N1CCC[C@H]1O3 ZINC000072170677 FF Annotated Anodyne O=C1c2cc3c(cc2OCN1Cc1ccccc1)C(=O)N1CCC[C@@H]1O3 ZINC000072170678 FF Annotated Anodyne CN1CCN(CCOC2=C(c3ccc(Cl)c(Cl)c3)C(=O)OC2)CC1 ZINC000072170729 FF Annotated Anodyne N#Cc1c(-c2ccc(C(N)=O)cc2)c(C#N)c2nc3ccccc3n2c1N ZINC000072170864 FF Annotated Mild O=C1c2cc3c(cc2OCN1CCc1ccsc1)C(=O)N1CCC[C@H]1O3 ZINC000072171042 FF Annotated Anodyne O=C1c2cc3c(cc2OCN1CCc1ccsc1)C(=O)N1CCC[C@@H]1O3 ZINC000072171043 FF Annotated Anodyne O=C(CCc1nc(Cl)n[nH]1)N[C@H]1CCCN(CC2CCCCC2)C1 ZINC000072172582 FF Annotated Anodyne O=C(CCc1nc(Cl)n[nH]1)N[C@@H]1CCCN(CC2CCCCC2)C1 ZINC000072172583 FF Annotated Anodyne NC(=O)c1ccccc1-c1ccc(Cn2ccc3c2C(=O)NCCC3=O)cc1 ZINC000072174877 FF Annotated Anodyne O=C1c2cc3c(cc2OCN1CCc1cccs1)C(=O)N1CCC[C@H]1O3 ZINC000072174928 FF Annotated Anodyne O=C1c2cc3c(cc2OCN1CCc1cccs1)C(=O)N1CCC[C@@H]1O3 ZINC000072174929 FF Annotated Anodyne CCc1ccc(C2OOC(c3ccc(C(=O)NCCCO)cc3)OO2)cc1 ZINC000072175256 FF Annotated Reactive CNC(=O)c1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1 ZINC000072175385 FF Annotated Mild CCc1ccc(C2OOC(c3ccc(C(=O)NCCO)cc3)OO2)cc1 ZINC000072175423 FF Annotated Reactive Cc1ccc(C2OOC(c3ccc(C(=O)NCCCO)cc3)OO2)cc1 ZINC000072175424 FF Annotated Reactive N#Cc1c(-c2ccc(OCCO)cc2)c(C#N)c2nc3ccccc3n2c1N ZINC000072176566 FF Annotated Mild O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3ccc([N+](=O)[O-])o3)SC2)cc1 ZINC000072177397 FF Annotated Bother C[C@H](N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000072177876 FF Annotated Bother C[C@@H](N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(OC(F)(F)F)cc1 ZINC000072177877 FF Annotated Bother O=[N+]([O-])c1ccc(-c2nnc3n2N[C@H](c2ccc([N+](=O)[O-])s2)S3)o1 ZINC000072178185 FF Annotated Bother O=[N+]([O-])c1ccc(-c2nnc3n2N[C@@H](c2ccc([N+](=O)[O-])s2)S3)o1 ZINC000072178186 FF Annotated Bother O=C(Cc1ccc(O)cc1)N/N=C1\C(=O)Nc2ccc(Cl)c(Cl)c21 ZINC000072178394 FF Annotated Reactive Nc1cccc(CC(=O)N/N=C2\C(=O)Nc3c(Cl)ccc(Cl)c32)c1 ZINC000072179584 FF Annotated Reactive O=C(Cc1ccc(O)cc1)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21 ZINC000072179742 FF Annotated Reactive COc1ccc2c(c1Cl)/C(=N/NC(=O)[C@@H](C)c1ccc(O)cc1)C(=O)N2 ZINC000072179767 FF Annotated Reactive COc1ccc2c(c1Cl)/C(=N/NC(=O)[C@H](C)c1ccc(O)cc1)C(=O)N2 ZINC000072179768 FF Annotated Reactive NCCNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072179875 FF Annotated Anodyne NCCNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072179876 FF Annotated Anodyne Brc1ccc(-c2nc(CNCCN3CCOCC3)co2)cc1 ZINC000072181016 FF Annotated Anodyne COc1ccc(C#Cc2nc3ncccc3nc2OCCN(C)C)c(C)c1 ZINC000072181270 FF Annotated Mild COc1cccc(C#Cc2nc3ncccc3nc2OCCCN(C)C)c1 ZINC000072181383 FF Annotated Mild O=C(N/N=C/c1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ccncc1 ZINC000072181510 FF Annotated Reactive O=C(N/N=C/c1cn(-c2cc(Cl)ccc2Cl)nn1)c1ccncc1 ZINC000072181511 FF Annotated Reactive CN(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000072181622 FF Annotated Bother Cc1ccc(Cl)c2c1NC(=O)/C2=N\NC(=O)[C@@H](C)c1ccc(O)cc1 ZINC000072181645 FF Annotated Reactive Cc1ccc(Cl)c2c1NC(=O)/C2=N\NC(=O)[C@H](C)c1ccc(O)cc1 ZINC000072181646 FF Annotated Reactive C[C@H](C(=O)N/N=C1\C(=O)Nc2ccc(O)c(Cl)c21)c1ccc(F)cc1 ZINC000072181718 FF Annotated Reactive C[C@@H](C(=O)N/N=C1\C(=O)Nc2ccc(O)c(Cl)c21)c1ccc(F)cc1 ZINC000072181719 FF Annotated Reactive Cc1ccc(/C(=N/O)NCCN2CCCCC2)c(Oc2cccnc2)n1 ZINC000072182557 FF Annotated Mild O=C(Cc1ccc(O)cc1)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21 ZINC000072182597 FF Annotated Reactive C=CCN1CCN(/C(=N\O)c2ccc(C)nc2Oc2cccnc2)CC1 ZINC000072182668 FF Annotated Mild CC[C@H](O)CO[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072182909 FF Annotated Mild CC[C@@H](O)CO[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072182910 FF Annotated Mild CC(=O)OCCO[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072182911 FF Annotated Mild CC(C)(C)C(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@@H]1CCCC(=O)O ZINC000072183045 FF Annotated Anodyne CN(Cc1coc(-c2ccc(Br)cc2)n1)CC1OCCO1 ZINC000072183237 FF Annotated Anodyne C=CCN1CCN(/C(=N\O)c2cccnc2Oc2ccc(OC)cc2)CC1 ZINC000072183255 FF Annotated Mild Brc1ccccc1-c1nc(CNCCN2CCOCC2)co1 ZINC000072183667 FF Annotated Anodyne Cc1cccc(Oc2ncccc2/C(=N/O)NCCN2CCOCC2)c1C ZINC000072183726 FF Annotated Mild O/N=C(/c1cccnc1OC1CCC1)N1CCN(c2ccccc2)CC1 ZINC000072183907 FF Annotated Mild COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@H](c3ccccc3)[C@@H]1C2 ZINC000072184190 FF Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@@H](c3ccccc3)[C@@H]1C2 ZINC000072184191 FF Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@H](c3ccccc3)[C@H]1C2 ZINC000072184192 FF Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@@H](c3ccccc3)[C@H]1C2 ZINC000072184193 FF Annotated Anodyne NC(=O)C1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072184448 FF Annotated Anodyne NC(=O)C1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072184449 FF Annotated Anodyne CCC(=O)N1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072184860 FF Annotated Anodyne CCC(=O)N1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072184861 FF Annotated Anodyne Cc1cc(NCCN2CCOCC2)n2nc(-c3cccc(F)c3)cc2n1 ZINC000072184895 FF Annotated Anodyne CCC(=O)NC1CCN([C@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072185238 FF Annotated Anodyne CCC(=O)NC1CCN([C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072185239 FF Annotated Anodyne O/N=C(/c1cccnc1Oc1ccc(-n2cncn2)cc1)N1CCCC1 ZINC000072185439 FF Annotated Mild O=C(NC1CCN([C@H](c2cnccn2)c2ccc(F)cc2F)CC1)C1CC1 ZINC000072185744 FF Annotated Anodyne O=C(NC1CCN([C@@H](c2cnccn2)c2ccc(F)cc2F)CC1)C1CC1 ZINC000072185745 FF Annotated Anodyne O=C(C1CC1)N1CCC(N[C@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072185896 FF Annotated Anodyne O=C(C1CC1)N1CCC(N[C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072185897 FF Annotated Anodyne CN(C)C(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072185967 FF Annotated Anodyne CN(C)C(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072185968 FF Annotated Anodyne COC(=O)c1cn(/C(=N\O)c2ccc(Oc3ccc(OC)cc3)nc2)cn1 ZINC000072186241 FF Annotated Mild CCOC(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072186281 FF Annotated Anodyne CCOC(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072186282 FF Annotated Anodyne CCN1CCN(C(=O)c2cnc3c(c2)c(C#N)cn3Cc2ccccc2)CC1 ZINC000072322782 FF Annotated Mild Cc1csc2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cnc12 ZINC000072322973 FF Annotated Anodyne CN(C)C(=O)c1cc2ncc(C(=O)NCCC3=CCCCC3)cc2n1C ZINC000072323413 FF Annotated Anodyne CC(=O)c1ccc(NC(=O)c2cnc3cc(C(=O)N(C)C)n(C)c3c2)cc1 ZINC000072323427 FF Annotated Anodyne Cc1ccc(NC(=O)c2cnc3cc(C(=O)N(C)C)n(C)c3c2)cc1F ZINC000072323439 FF Annotated Anodyne CN(C)CCCNC(=O)c1cnc2c(c1)c(C#N)cn2Cc1ccccc1 ZINC000072323743 FF Annotated Mild N#Cc1cn(Cc2ccccc2)c2ncc(C(=O)NC[C@@H]3CCCO3)cc12 ZINC000072323749 FF Annotated Mild N#Cc1cn(Cc2ccccc2)c2ncc(C(=O)NC[C@H]3CCCO3)cc12 ZINC000072323750 FF Annotated Mild CN1CCC(N(C)C[C@H]2CC[C@@H](Cc3ccc4c(cnn4C)c3)O2)CC1 ZINC000072419662 FF Annotated Anodyne O[C@H]1[C@H](NCCSc2ccccn2)c2ccccc2C12CCNCC2 ZINC000072470808 FF Annotated Anodyne C/C=C\C1=Cc2ccccc2[C@H](C(C(=O)OC)C(=O)OC)N1C(=O)OC ZINC000073072942 FF Annotated Anodyne C/C=C\C1=Cc2ccccc2[C@@H](C(C(=O)OC)C(=O)OC)N1C(=O)OC ZINC000073072943 FF Annotated Anodyne COc1cc2c(c(OC)c1)[C@H](/C=C\c1ccccc1)[C@H]([C@H](O)CO)OC2 ZINC000073100880 FF Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(N)=O)[C@H](c3ccc(F)cc3)[C@@H]1C2 ZINC000073129264 FF Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(N)=O)[C@@H](c3ccc(F)cc3)[C@@H]1C2 ZINC000073129267 FF Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(N)=O)[C@H](c3ccc(F)cc3)[C@H]1C2 ZINC000073129268 FF Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(N)=O)[C@@H](c3ccc(F)cc3)[C@H]1C2 ZINC000073129271 FF Annotated Anodyne COc1ccc([C@@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=O)cc1 ZINC000073138487 FF Annotated Anodyne COc1ccc([C@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=O)cc1 ZINC000073138490 FF Annotated Anodyne COc1ccc([C@@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=O)cc1 ZINC000073138491 FF Annotated Anodyne COc1ccc([C@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(N)=O)cc1 ZINC000073138493 FF Annotated Anodyne COc1ccc2c(c1O)CO[C@H]1C(=O)c3ccc(OC)c(OC)c3O[C@H]21 ZINC000073139974 FF Annotated Anodyne COc1ccc2c(c1O)CO[C@@H]1C(=O)c3ccc(OC)c(OC)c3O[C@H]21 ZINC000073139977 FF Annotated Anodyne COc1ccc2c(c1O)CO[C@H]1C(=O)c3ccc(OC)c(OC)c3O[C@@H]21 ZINC000073139980 FF Annotated Anodyne COc1ccc2c(c1O)CO[C@@H]1C(=O)c3ccc(OC)c(OC)c3O[C@@H]21 ZINC000073139982 FF Annotated Anodyne CC(C)NC(=O)N[C@H]1C[C@@H](C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21 ZINC000073140467 FF Annotated Bother NC(N)=N/N=C\c1c(-c2cccc(C(F)(F)F)c2)nc2sccn12 ZINC000073140579 FF Annotated Mild Cc1nn2c(/C=N/N=C(N)N)c(-c3cc(Cl)sc3Cl)nc2s1 ZINC000073140743 FF Annotated Mild COC(=O)C1=NN(c2ccccc2)C2=CN=C3NC(c4ccccc4)=C[C@@H]3N21 ZINC000073155977 FF Annotated Anodyne COC(=O)c1ccc(C[C@]2(C(=O)OC)CC(=O)O[C@@H]2c2ccccc2)cc1 ZINC000073158025 FF Annotated Anodyne COC(=O)c1ccc(C[C@@]2(C(=O)OC)CC(=O)O[C@@H]2c2ccccc2)cc1 ZINC000073158028 FF Annotated Anodyne COC(=O)c1ccc(C[C@]2(C(=O)OC)CC(=O)O[C@H]2c2ccccc2)cc1 ZINC000073158033 FF Annotated Anodyne COC(=O)c1ccc(C[C@@]2(C(=O)OC)CC(=O)O[C@H]2c2ccccc2)cc1 ZINC000073158038 FF Annotated Anodyne O=S(=O)(Nc1cncc(-c2cnc3nccn3c2)c1)c1ccccc1 ZINC000073158311 FF Annotated Anodyne O=c1[nH]ccc2c(Cc3nnc4ccc(-c5cccnc5)nn34)cccc12 ZINC000073163069 FF Annotated Anodyne CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2cc(C(=O)O)n(O)c2c1 ZINC000073165591 FF Annotated Anodyne O=c1[nH]ccc2c(Cc3nnc4ccc(-c5cccc(O)c5)nn34)cccc12 ZINC000073165727 FF Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2ccc3cc(C(=O)O)n(O)c3c2)cc1 ZINC000073166118 FF Annotated Anodyne CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@H]1c1ccc([N+](=O)[O-])s1 ZINC000073169597 FF Annotated Bother CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1ccc([N+](=O)[O-])s1 ZINC000073169598 FF Annotated Bother Cc1c(NCc2nnc(-c3ccncc3)o2)c(=O)n(-c2ccccc2)n1C ZINC000073195610 FF Annotated Anodyne CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(-c3nnn[nH]3)c2)c1C ZINC000073196181 FF Annotated Reactive O=c1[nH]ccc2c(Cc3nnc4ccc(N5CCCCC5)nn34)cccc12 ZINC000073196758 FF Annotated Anodyne COc1ccc([C@H]2C3=C(COC3=O)Nc3cc4c(c(OC)c32)OCO4)cc1 ZINC000073196843 FF Annotated Anodyne COc1ccc([C@@H]2C3=C(COC3=O)Nc3cc4c(c(OC)c32)OCO4)cc1 ZINC000073196844 FF Annotated Anodyne Cn1c2c(c3ccc(Cl)c(Cl)c31)[C@@H](C#N)C1(CCNCC1)NC2=O ZINC000073197038 FF Annotated Mild Cn1c2c(c3ccc(Cl)c(Cl)c31)[C@H](C#N)C1(CCNCC1)NC2=O ZINC000073197039 FF Annotated Mild NC(=O)c1ccc(OCCOCCO)c(/C=C/c2ccc(Cl)cc2)c1 ZINC000073197160 FF Annotated Anodyne COc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000073197316 FF Annotated Anodyne Cc1ncc(Cn2cc(COc3ccc(Cl)cc3Cl)nn2)c(N)n1 ZINC000073197602 FF Annotated Anodyne CN(Cc1cn(C[C@H](O)COCc2ccccc2)nn1)CC1CCCCC1 ZINC000073197784 FF Annotated Anodyne CN(Cc1cn(C[C@@H](O)COCc2ccccc2)nn1)CC1CCCCC1 ZINC000073197785 FF Annotated Anodyne Cc1ncc(Cc2nc(-c3nc(C(F)(F)F)n[nH]3)n3ccccc23)cn1 ZINC000073198051 FF Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12 ZINC000073198318 FF Annotated Reactive Cn1c2c(c3cc(S(=O)(=O)c4cccc(N)c4)ccc31)[C@@H]1CC[C@H](C2)N1 ZINC000073198750 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccc(N)c4)ccc31)[C@H]1CC[C@@H](C2)N1 ZINC000073198751 FF Annotated Anodyne Cc1ncc(Cn2cc(COc3cccc(C(F)(F)F)c3)nn2)c(N)n1 ZINC000073198859 FF Annotated Anodyne O=S(=O)(c1cc(F)cc(F)c1)c1ccc2c(c1)O[C@H]1CNCC[C@@H]21 ZINC000073199033 FF Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)OCc1cc(=O)c(O)co1)O2 ZINC000073199381 FF Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)OCc1cc(=O)c(O)co1)O2 ZINC000073199384 FF Annotated Anodyne COc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc1F ZINC000073199407 FF Annotated Anodyne CCOP(=O)(OCC)[C@@H]1C[C@H](n2cc(-c3ccccn3)nn2)ON1C ZINC000073199869 FF Annotated Anodyne CCCCn1nnc2cc3c4c(cccc4c21)C(=O)N(CCN(C)C)C3=O ZINC000073199978 FF Annotated Anodyne CC(=O)c1cccc(-c2cccc3c(N4CCN(C)CC4)nc(N)nc23)c1 ZINC000073220157 FF Annotated Anodyne C=C[C@]1(C)C=C2[C@@]3(CO3)C(=O)[C@H]3C(C)(C)CCC[C@]3(C(=O)OC)[C@@]2(O)CC1 ZINC000073222275 FF Annotated Mild C=C[C@]1(C)C=C2[C@]3(CO3)C(=O)[C@H]3C(C)(C)CCC[C@]3(C(=O)OC)[C@@]2(O)CC1 ZINC000073222276 FF Annotated Mild C=C[C@]1(C)C=C2[C@@H](O)C(=O)[C@H]3C(C)(C)CCC[C@]3(C(=O)OC)[C@@]2(O)CC1 ZINC000073222277 FF Annotated Mild NC(=O)[C@@]1(CCc2ccc(OCc3ccc(Cl)cc3)cc2)COC(=O)N1 ZINC000073222544 FF Annotated Anodyne NC(=O)[C@]1(CCc2ccc(OCc3ccc(Cl)cc3)cc2)COC(=O)N1 ZINC000073222545 FF Annotated Anodyne COc1cccc(CCN2C(=O)Cn3nc(-c4ccccc4)cc3C2=O)c1 ZINC000073240005 FF Annotated Anodyne COc1ccc(-c2cc3n(n2)CC(=O)N(CCc2ccccc2)C3=O)cc1 ZINC000073240730 FF Annotated Anodyne COc1ccc(-c2[nH]ncc2/C=N\NC(=O)c2cccs2)cc1OC ZINC000073279299 FF Annotated Reactive NC(N)=N/N=C/c1c(-c2cc(Cl)sc2Cl)nc2ccccn12 ZINC000073293883 FF Annotated Mild O=C(c1cccc2ccnn12)N1CCN(CCc2ccc(F)cc2F)CC1 ZINC000073294410 FF Annotated Anodyne O=C1C2=C(C(=O)c3ccccc31)[C@]1(C(=O)Nc3ccccc31)N1CCC[C@H]21 ZINC000073295203 FF Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@@]1(C(=O)Nc3ccccc31)N1CCC[C@H]21 ZINC000073295204 FF Annotated Mild Cc1ccc2c(c1)[C@]1(C(=O)N2)C2=C(C(=O)c3ccccc3C2=O)[C@H]2CCCN21 ZINC000073295206 FF Annotated Mild Cc1ccc2c(c1)[C@@]1(C(=O)N2)C2=C(C(=O)c3ccccc3C2=O)[C@H]2CCCN21 ZINC000073295209 FF Annotated Mild Cc1ccc2c(c1)[C@]1(C(=O)N2)C2=C(C(=O)c3ccccc3C2=O)[C@@H]2CCCN21 ZINC000073295211 FF Annotated Mild Cc1ccc2c(c1)[C@@]1(C(=O)N2)C2=C(C(=O)c3ccccc3C2=O)[C@@H]2CCCN21 ZINC000073295212 FF Annotated Mild CN1C(=O)[C@@]2(C3=C(C(=O)c4ccccc4C3=O)[C@H]3CCCN32)c2ccccc21 ZINC000073295214 FF Annotated Mild CN1C(=O)[C@]2(C3=C(C(=O)c4ccccc4C3=O)[C@H]3CCCN32)c2ccccc21 ZINC000073295216 FF Annotated Mild CN1C(=O)[C@@]2(C3=C(C(=O)c4ccccc4C3=O)[C@@H]3CCCN32)c2ccccc21 ZINC000073295217 FF Annotated Mild CN1C(=O)[C@]2(C3=C(C(=O)c4ccccc4C3=O)[C@@H]3CCCN32)c2ccccc21 ZINC000073295219 FF Annotated Mild C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)no1 ZINC000073295585 FF Annotated Anodyne C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)no1 ZINC000073295587 FF Annotated Anodyne NC(=O)C[S@](=O)Cc1ccccc1-c1ccc(OC(F)(F)F)cc1 ZINC000073296001 FF Annotated Anodyne NC(=O)C[S@@](=O)Cc1ccccc1-c1ccc(OC(F)(F)F)cc1 ZINC000073296002 FF Annotated Anodyne O=C(c1cccn2ccnc12)N1CCN(CCc2ccc(F)cc2F)CC1 ZINC000073297299 FF Annotated Anodyne N=C(Nc1ccc2c(c1)N(CCN1CC[C@@H](O)C1)CC2)c1cccs1 ZINC000073297344 FF Annotated Anodyne C=CCN1C(=O)[C@]2(C3=C(CN2C)C(=O)c2ccccc2C3=O)c2ccccc21 ZINC000073298493 FF Annotated Mild C=CCN1C(=O)[C@@]2(C3=C(CN2C)C(=O)c2ccccc2C3=O)c2ccccc21 ZINC000073298496 FF Annotated Mild O=C(NO)[C@@]1(CCc2ccc(-c3ccccc3)cc2)CCCS1(=O)=O ZINC000073311693 FF Annotated Bother O=C(NO)[C@]1(CCc2ccc(-c3ccccc3)cc2)CCCS1(=O)=O ZINC000073311697 FF Annotated Bother CN1CC2=C(C(=O)c3ccccc3C2=O)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000073312089 FF Annotated Mild CN1CC2=C(C(=O)c3ccccc3C2=O)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000073312092 FF Annotated Mild O/N=C\C(=N/O)Nc1ccc(Cc2ccc(NC(/C=N\O)=N/O)cc2)cc1 ZINC000073312269 FF Annotated Mild CCN1C(=O)[C@@]2(C3=C(CN2C)C(=O)c2ccccc2C3=O)c2ccccc21 ZINC000073312597 FF Annotated Mild CCN1C(=O)[C@]2(C3=C(CN2C)C(=O)c2ccccc2C3=O)c2ccccc21 ZINC000073312598 FF Annotated Mild C=C(C(=O)OCCN1CCN(C)CC1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000073315047 FF Annotated Mild CC(C)NC(=S)N[C@H]1C[C@@H](C(C)(C)CO)Nc2ccc([N+](=O)[O-])cc21 ZINC000073349661 FF Annotated Bother CC[C@H]1C[C@H](NS(=O)(=O)C2CC2)C[C@@H]1c1ncc2cnc3[nH]ccc3n12 ZINC000073403681 FF Annotated Anodyne CC[C@@H]1C[C@@H](NS(=O)(=O)C2CC2)C[C@@H]1c1ncc2cnc3[nH]ccc3n12 ZINC000073403685 FF Annotated Anodyne CC[C@H]1C[C@@H](NS(=O)(=O)C2CC2)C[C@@H]1c1ncc2cnc3[nH]ccc3n12 ZINC000073403689 FF Annotated Anodyne COCCNC(=O)C[C@@]1(C)N=C(c2ccc(-c3ccccc3)cc2)N(C)O1 ZINC000074373249 FF Annotated Anodyne COCCNC(=O)C[C@]1(C)N=C(c2ccc(-c3ccccc3)cc2)N(C)O1 ZINC000074373254 FF Annotated Anodyne CN1O[C@@](C)(CC(=O)NCCc2ccccc2)N=C1c1ccccc1F ZINC000074373308 FF Annotated Anodyne CN1O[C@](C)(CC(=O)NCCc2ccccc2)N=C1c1ccccc1F ZINC000074373312 FF Annotated Anodyne CC(C)NC(=O)C[C@]1(C)N=C(c2cccc(Br)c2)N(C)O1 ZINC000074373505 FF Annotated Anodyne CC(C)NC(=O)C[C@@]1(C)N=C(c2cccc(Br)c2)N(C)O1 ZINC000074373509 FF Annotated Anodyne CN1O[C@@](C)(CC(=O)NCCOc2ccccc2)N=C1c1ccccc1 ZINC000074373721 FF Annotated Anodyne CN1O[C@](C)(CC(=O)NCCOc2ccccc2)N=C1c1ccccc1 ZINC000074373724 FF Annotated Anodyne Cc1ccccc1C1=N[C@@](C)(CC(=O)NCCOc2ccccc2)ON1C ZINC000074374136 FF Annotated Anodyne Cc1ccccc1C1=N[C@](C)(CC(=O)NCCOc2ccccc2)ON1C ZINC000074374140 FF Annotated Anodyne COc1ccc(NC(=O)C[C@@]2(C)N=C(c3ccccc3F)N(C)O2)cn1 ZINC000074374444 FF Annotated Anodyne COc1ccc(NC(=O)C[C@]2(C)N=C(c3ccccc3F)N(C)O2)cn1 ZINC000074374449 FF Annotated Anodyne COc1cccc(C2=N[C@](C)(CC(=O)NCc3ccccc3F)ON2C)c1 ZINC000074374468 FF Annotated Anodyne COc1cccc(C2=N[C@@](C)(CC(=O)NCc3ccccc3F)ON2C)c1 ZINC000074374473 FF Annotated Anodyne COCCN1C(=O)COCc2cc(-c3cccc(C(=O)OC)c3)ccc21 ZINC000074375051 FF Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)N(CCN1CCOCC1)C(=O)COC2 ZINC000074375101 FF Annotated Anodyne COCCN1C(=O)COCc2cc(-c3ccc(OC)c(OC)c3)ccc21 ZINC000074375207 FF Annotated Anodyne COCCN1C(=O)COCc2ccc(-c3ccc(OC)c(OC)c3)cc21 ZINC000074375257 FF Annotated Anodyne O=C1COCc2ccc(-c3cccc(F)c3)cc2N1CCN1CCOCC1 ZINC000074375269 FF Annotated Anodyne O=C1COCc2cc(-c3cccc(F)c3)ccc2N1CCN1CCOCC1 ZINC000074375534 FF Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)COCC(=O)N2CCN1CCOCC1 ZINC000074375538 FF Annotated Anodyne COCCN1C(=O)COCc2ccc(-c3cccc(C(=O)OC)c3)cc21 ZINC000074375716 FF Annotated Anodyne O=C(NC1CCCCC1)c1nnc2n1CCN(C(=O)CCC1CCCC1)C2 ZINC000074376862 FF Annotated Anodyne Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)c1 ZINC000074377096 FF Annotated Anodyne Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4)[C@H]3C2)c1 ZINC000074377099 FF Annotated Anodyne CCc1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@@H]3C2)cc1 ZINC000074377358 FF Annotated Anodyne CCc1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@H]3C2)cc1 ZINC000074377363 FF Annotated Anodyne COc1ccc(CNC(=O)N2C[C@@H]3ON=C(c4ccccc4C)[C@H]3C2)cc1 ZINC000074377368 FF Annotated Anodyne COc1ccc(CNC(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@H]3C2)cc1 ZINC000074377370 FF Annotated Anodyne COc1ccc(CNC(=O)N2C[C@H]3C(c4ccccc4C)=NO[C@H]3C2)cc1 ZINC000074377377 FF Annotated Anodyne COc1ccc(CNC(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@@H]3C2)cc1 ZINC000074377381 FF Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]12 ZINC000074377976 FF Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]12 ZINC000074377979 FF Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@@H]12 ZINC000074377983 FF Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@@H]12 ZINC000074377987 FF Annotated Anodyne Cc1cc(F)ccc1S(=O)(=O)N1C[C@H]2ON=C(c3ccccc3)[C@@H]2C1 ZINC000074378088 FF Annotated Anodyne Cc1cc(F)ccc1S(=O)(=O)N1C[C@H]2ON=C(c3ccccc3)[C@H]2C1 ZINC000074378092 FF Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@@H]3C2)c1 ZINC000074378094 FF Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@H]3C2)c1 ZINC000074378098 FF Annotated Anodyne CCc1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)cc1 ZINC000074379225 FF Annotated Anodyne CCc1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4)[C@H]3C2)cc1 ZINC000074379230 FF Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@H]12 ZINC000074379254 FF Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@H]12 ZINC000074379259 FF Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@@H]12 ZINC000074379265 FF Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@@H]12 ZINC000074379272 FF Annotated Anodyne Cc1cc(C(=O)N2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)nn1C(C)(C)C ZINC000074379337 FF Annotated Anodyne Cc1cc(C(=O)N2C[C@H]3ON=C(c4ccccc4)[C@H]3C2)nn1C(C)(C)C ZINC000074379345 FF Annotated Anodyne Cc1cc(C(=O)N2C[C@H]3C(c4ccccc4)=NO[C@H]3C2)nn1C(C)(C)C ZINC000074379348 FF Annotated Anodyne Cc1cc(C(=O)N2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)nn1C(C)(C)C ZINC000074379352 FF Annotated Anodyne O=C1N=C2OC=C(C(=O)Nc3ccc(Oc4ccccc4)cc3)N2CCN1 ZINC000074380294 FF Annotated Anodyne COCC/N=C(\O)c1cccc(-c2nc3c(NCCOC)nccc3[nH]2)c1 ZINC000074386515 FF Annotated Mild O=S(=O)(Nc1ccc2nc(-c3cccc(F)c3)nn2c1)c1ccco1 ZINC000074387201 FF Annotated Anodyne O=S(=O)(Nc1ccc2nc(-c3cccc(F)c3)nn2c1)c1ccoc1 ZINC000074387315 FF Annotated Anodyne CC(C)CNC(=O)C(C)(C)n1cc(NC(=O)Cc2ccc(F)cc2)cn1 ZINC000074387767 FF Annotated Anodyne COCCNC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000074388238 FF Annotated Anodyne COCCNC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000074388242 FF Annotated Anodyne COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1ccccc1Cl ZINC000007551131 FF Annotated Anodyne COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1ccccc1Cl ZINC000007551132 FF Annotated Anodyne CCCc1ccc(S(=O)(=O)N(C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000007813535 FF Annotated Anodyne COc1ccc(/C=N/NC(=S)NC2CCCCC2)c(C(=O)O)c1OC ZINC000007858838 FF Annotated Mild O=c1[nH]c2ccccc2cc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000007893684 FF Annotated Mild Cc1cc(CNC(=O)COC(=O)c2ccc(Cl)c(N)c2)cc(C)c1O ZINC000007978951 FF Annotated Anodyne Cc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccs2)o1 ZINC000007991225 FF Annotated Anodyne Cc1ccc(Cn2ccc(NC(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@H]3C(=O)O)n2)cc1 ZINC000007991267 FF Annotated Anodyne Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCCCN2CCC[C@@H](C)C2)cc1 ZINC000007991324 FF Annotated Anodyne CCOC(=O)[C@@H]1S[C@@]2(C(F)(F)F)C[C@]1(O)c1c(C)cc(C)nc1O2 ZINC000007991457 FF Annotated Anodyne CCN(CC)CCn1c(-c2ccccc2)nc2c(NCCO)nc(C)nc21 ZINC000007991865 FF Annotated Anodyne CC(=O)OC[C@@H]1O[C@@H](C#CCCCc2ccccc2)C=C[C@H]1OC(C)=O ZINC000007991916 FF Annotated Mild CC(=O)OC[C@H]1O[C@@H](C#CCCCc2ccccc2)C=C[C@@H]1OC(C)=O ZINC000007991917 FF Annotated Mild CC(=O)OC[C@@H]1O[C@@H](C#CCCCc2ccccc2)C=C[C@@H]1OC(C)=O ZINC000007991918 FF Annotated Mild CN(C)c1ccc(CNC(=O)[C@@]2(C)C=CCN2C(=O)c2ccccc2)cc1 ZINC000007992771 FF Annotated Clean CN(C)c1ccc(CNC(=O)[C@]2(C)C=CCN2C(=O)c2ccccc2)cc1 ZINC000007992772 FF Annotated Clean CC(=O)N1[C@H](Cc2ccccc2)C=C[C@]1(C)C(=O)NCc1ccc(C)o1 ZINC000007992795 FF Annotated Anodyne COCCNC(=O)[C@@]1(C)C=CC2(CCCCC2)N1C(=O)c1ccccc1 ZINC000007992802 FF Annotated Anodyne COCCNC(=O)[C@]1(C)C=CC2(CCCCC2)N1C(=O)c1ccccc1 ZINC000007992803 FF Annotated Anodyne CC(=O)N1[C@H](C)C=C[C@]1(Cc1ccccc1)C(=O)NCc1ccc(C)o1 ZINC000007992816 FF Annotated Anodyne COC(=O)N1[C@H](Cc2ccccc2)C=C[C@]1(C)C(=O)NCc1ccccn1 ZINC000007992820 FF Annotated Anodyne COC(=O)N1[C@H](C)C=C[C@]1(Cc1ccccc1)C(=O)NCc1ccccn1 ZINC000007992824 FF Annotated Anodyne COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]12 ZINC000007998075 FF Annotated Anodyne CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C\[C@@H]1C ZINC000007998185 FF Annotated Anodyne CO[C@H]1COC(=O)[C@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C\[C@@H]1C ZINC000007998194 FF Annotated Anodyne CCc1ccc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)s1 ZINC000008156106 FF Annotated Anodyne CCc1ccc(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)s1 ZINC000008156107 FF Annotated Anodyne CC1=NN(C(N)=S)C(=O)[C@H]1/N=N\c1ccc(C)c(Br)c1 ZINC000008397803 FF Annotated Clean Cc1cc(C)nc(NNC=C2C(=O)CC(c3ccc(F)cc3)CC2=O)n1 ZINC000008491514 FF Annotated Mild CC[C@@H](C)C(=O)[C@H]1C(=O)[C@@H](CC=C(C)C)C(=O)[C@](O)(CC=C(C)C)C1=O ZINC000080052468 FF Annotated Anodyne COc1cc(/C=C/C(=O)OC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O ZINC000081121516 FF Annotated Reactive COC(=O)N1C=CC(=O)N(C(=O)COCc2ccccc2)[C@@H]1C(C)(C)C ZINC000082047656 FF Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@@H](CNCc3ccccn3)C(=O)O[C@@H]1C2 ZINC000082051897 FF Annotated Anodyne C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CNCc1ccccn1 ZINC000082051899 FF Annotated Anodyne C[C@H](O)Cc1nsc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000082052362 FF Annotated Anodyne C[C@@H](O)Cc1nsc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000082052364 FF Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4cccnc4)[C@H]3[C@H]3O[C@]132 ZINC000082052964 FF Annotated Anodyne CCN1CCN(C(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)CC1 ZINC000082055632 FF Annotated Anodyne COc1ccc(Oc2nc(NC3CCCCC3)nc(N(C)CCO)n2)cc1 ZINC000082066467 FF Annotated Anodyne C=CCN(C)c1nc(NC[C@@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067142 FF Annotated Mild C=CCN(C)c1nc(NC[C@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067143 FF Annotated Mild C=CCN(C)c1nc(NCC(C)(C)CO)nc(Oc2ccc(OC)cc2)n1 ZINC000082067210 FF Annotated Mild C=CCN(C)c1nc(NCCCCCO)nc(Oc2ccc(OC)cc2)n1 ZINC000082067221 FF Annotated Mild CC(=O)Nc1cccc(Oc2cc(NCCCN3CCCC3=O)ncn2)c1 ZINC000082067622 FF Annotated Anodyne COc1ccc(Oc2cncc(NCCOCCO)n2)c2ccccc12 ZINC000082068543 FF Annotated Anodyne CCCCOCCOC(=O)[C@@H]1CCCN(C(=O)c2csc(CC)n2)C1 ZINC000082069666 FF Annotated Anodyne CCCCOCCOC(=O)[C@H]1CCCN(C(=O)c2csc(CC)n2)C1 ZINC000082069667 FF Annotated Anodyne CCc1nc(C(=O)N2CCC[C@H](C(=O)OCCc3ccccn3)C2)cs1 ZINC000082069668 FF Annotated Anodyne CCc1nc(C(=O)N2CCC[C@@H](C(=O)OCCc3ccccn3)C2)cs1 ZINC000082069669 FF Annotated Anodyne CCCCOCCCNC(=O)[C@H](NC(=O)c1csc(CC)n1)C(C)C ZINC000082070024 FF Annotated Anodyne CCCCOCCCNC(=O)[C@@H](NC(=O)c1csc(CC)n1)C(C)C ZINC000082070025 FF Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](C(=O)OCCN(C)C)C(C)C)co2)cc1 ZINC000082070300 FF Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](C(=O)OCCN(C)C)C(C)C)co2)cc1 ZINC000082070301 FF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C(=O)OCCN(C)C)C(C)C)co1 ZINC000082070324 FF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)OCCN(C)C)C(C)C)co1 ZINC000082070325 FF Annotated Anodyne CCCCOCCOC(=O)[C@H](NC(=O)c1csc(CC)n1)C(C)C ZINC000082070369 FF Annotated Anodyne CCCCOCCOC(=O)[C@@H](NC(=O)c1csc(CC)n1)C(C)C ZINC000082070370 FF Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)NCc3ccco3)co2)cc1 ZINC000082070478 FF Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)NCc3ccco3)co2)cc1 ZINC000082070479 FF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)NCc2ccco2)co1 ZINC000082070505 FF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)NCc2ccco2)co1 ZINC000082070506 FF Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)OCC(C)(C)N(C)C)co2)cc1 ZINC000082070806 FF Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)OCC(C)(C)N(C)C)co2)cc1 ZINC000082070807 FF Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)OCCCCN(C)C)co2)cc1 ZINC000082070808 FF Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)OCCCCN(C)C)co2)cc1 ZINC000082070809 FF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)OCC(C)(C)N(C)C)co1 ZINC000082070832 FF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)OCC(C)(C)N(C)C)co1 ZINC000082070833 FF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)OCCCCN(C)C)co1 ZINC000082070834 FF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)OCCCCN(C)C)co1 ZINC000082070835 FF Annotated Anodyne CCCCOCCCNC(=O)CNC(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082071937 FF Annotated Anodyne CCCCNC(=O)CNC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082072204 FF Annotated Anodyne O=C(CNC(=O)c1csc(-c2ccccc2)n1)OCCc1ccccn1 ZINC000082072239 FF Annotated Anodyne CCCCOCCOC(=O)CNC(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082072278 FF Annotated Anodyne Cc1ccc(-c2nc(C(=O)NCC(=O)OCCc3ccccn3)co2)cc1 ZINC000082072279 FF Annotated Anodyne CCCCOCCOC(=O)CNC(=O)c1coc(-c2ccccc2C)n1 ZINC000082072308 FF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)NCC(=O)OCCc2ccccn2)co1 ZINC000082072310 FF Annotated Anodyne CCC#CCOC(=O)CNC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082072377 FF Annotated Mild CN(CC(=O)NCc1ccco1)C(=O)c1csc(-c2ccccc2)n1 ZINC000082073663 FF Annotated Anodyne Cc1ccc(-c2nc(C(=O)N(C)CC(=O)NCc3ccco3)co2)cc1 ZINC000082073720 FF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)NCc2ccco2)co1 ZINC000082073741 FF Annotated Anodyne Cc1ccc(-c2nc(C(=O)N(C)CC(=O)OCC(C)(C)N(C)C)co2)cc1 ZINC000082074026 FF Annotated Anodyne Cc1ccc(-c2nc(C(=O)N(C)CC(=O)OCCCCN(C)C)co2)cc1 ZINC000082074029 FF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)OCC(C)(C)N(C)C)co1 ZINC000082074050 FF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)OCCCCN(C)C)co1 ZINC000082074051 FF Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](CO)COCc3ccccc3)co2)cc1 ZINC000082074227 FF Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](CO)COCc3ccccc3)co2)cc1 ZINC000082074229 FF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](CO)COCc2ccccc2)co1 ZINC000082074270 FF Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](CO)COCc2ccccc2)co1 ZINC000082074271 FF Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)OCCOCCN(C)C)cs1 ZINC000082075137 FF Annotated Anodyne Cc1cc(Nc2ccc3c(n2)C(=O)N([C@H](C)/C(O)=N/C(C)C)C3)n(C)n1 ZINC000082078890 FF Annotated Mild Cc1cc(Nc2ccc3c(n2)C(=O)N([C@H](C)/C(O)=N/CC2CC2)C3)n(C)n1 ZINC000082079283 FF Annotated Mild COc1ccccc1-c1nc2ccc(NS(=O)(=O)c3ccoc3)cn2n1 ZINC000082081839 FF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](CO)C(C)C)cs2)c1 ZINC000082082090 FF Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](CO)C(C)C)cs2)c1 ZINC000082082091 FF Annotated Anodyne C/N=c1\[nH]c2cnc(Nc3ccc(OC)nc3)cc2n1Cc1ccco1 ZINC000082082968 FF Annotated Anodyne CCCCOCCOC(=O)[C@@H](C)NC(=O)c1coc(-c2cccs2)n1 ZINC000082083935 FF Annotated Anodyne CCCCOCCOC(=O)[C@H](C)NC(=O)c1coc(-c2cccs2)n1 ZINC000082083940 FF Annotated Anodyne C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCc1ccccn1 ZINC000082083942 FF Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCc1ccccn1 ZINC000082083944 FF Annotated Anodyne O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085180 FF Annotated Anodyne O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085181 FF Annotated Anodyne CCC#CCOC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085521 FF Annotated Mild CCC#CCOC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085522 FF Annotated Mild CCCCOCCOC(=O)CN(C)C(=O)c1coc(-c2cccs2)n1 ZINC000082085823 FF Annotated Anodyne CN(CC(=O)OCCc1ccccn1)C(=O)c1coc(-c2cccs2)n1 ZINC000082085824 FF Annotated Anodyne O=C(N[C@@H](COCc1ccccc1)C(=O)O)c1coc(-c2cccs2)n1 ZINC000082085930 FF Annotated Anodyne O=C(N[C@H](COCc1ccccc1)C(=O)O)c1coc(-c2cccs2)n1 ZINC000082085931 FF Annotated Anodyne O=C(N[C@H](CO)COCc1ccccc1)c1coc(-c2cccs2)n1 ZINC000082085932 FF Annotated Anodyne O=C(N[C@@H](CO)COCc1ccccc1)c1coc(-c2cccs2)n1 ZINC000082085933 FF Annotated Anodyne CSc1ccccc1CN1CCCn2nc(CNC(=O)N(C)C)cc2C1 ZINC000082092424 FF Annotated Anodyne Cc1ccc2nc(CSc3nnc(CC4CCNCC4)n3C)cn2c1 ZINC000082125342 FF Annotated Anodyne Cc1sc2ncn(C/C(O)=N/C/C(O)=N/c3ccccn3)c(=O)c2c1C ZINC000082129431 FF Annotated Mild CC(C)CN(C)c1ncc(C(=O)N2CCOCC2)c(-c2ccccc2)n1 ZINC000082132379 FF Annotated Anodyne O=C(c1cnc(N2CCCCC2)nc1-c1ccccc1)N1CCOCC1 ZINC000082132653 FF Annotated Anodyne CC1CCN(c2ncc(C(=O)N3CCOCC3)c(-c3ccccc3)n2)CC1 ZINC000082132663 FF Annotated Anodyne O=C(c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000082135379 FF Annotated Bother CCN(C)c1ncc(C(=O)N2CCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135501 FF Annotated Bother CCN(C)C(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136073 FF Annotated Bother CC(C)CN(C)c1ncc(C(=O)N2CCOCC2)c(-c2ccc(F)cc2)n1 ZINC000082136320 FF Annotated Anodyne COCCCNC(=O)c1cnc(N2CCCC2)nc1-c1ccc(F)cc1 ZINC000082136354 FF Annotated Anodyne COCCNC(=O)c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1 ZINC000082141455 FF Annotated Anodyne COCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc(F)cc1 ZINC000082141469 FF Annotated Anodyne COCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccco1 ZINC000082141825 FF Annotated Anodyne COCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccco1 ZINC000082141826 FF Annotated Anodyne COCCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccco1 ZINC000082141828 FF Annotated Anodyne COCCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccco1 ZINC000082141830 FF Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccco1 ZINC000082141867 FF Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccco1 ZINC000082141869 FF Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccco1 ZINC000082141871 FF Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccco1 ZINC000082141874 FF Annotated Anodyne O=C(NCC1CCCCC1)c1cnc(N2CCOCC2)nc1-c1ccco1 ZINC000082141957 FF Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3ccco3)n2)C1 ZINC000082141987 FF Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3ccco3)n2)C1 ZINC000082141988 FF Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3ccco3)n2)C1 ZINC000082141989 FF Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(N2CCCC2)nc1-c1ccco1 ZINC000082142270 FF Annotated Mild CN(C(=O)c1cnc(N2CCOCC2)nc1-c1ccco1)C1CCCCC1 ZINC000082142435 FF Annotated Anodyne COCCCNC(=O)c1cnc(N2CCCC2)nc1-c1cccc(C)c1 ZINC000082145052 FF Annotated Anodyne Cc1cccc(-c2nc(N3CCCCC3)ncc2C(=O)N2CCOCC2)c1 ZINC000082145411 FF Annotated Anodyne COCCNC(=O)c1cnc(N2CCCCC2)nc1-c1cccc(C)c1 ZINC000082147183 FF Annotated Anodyne O=C(c1cnc(N2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000082148698 FF Annotated Bother O=C(NCC1CC1)c1cnc(N2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148718 FF Annotated Bother CCN(C)c1ncc(C(=O)NCC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149022 FF Annotated Bother CCN(C)c1ncc(C(=O)N2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149277 FF Annotated Bother CCN(C)C(=O)c1cnc(NCCCOC)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150075 FF Annotated Bother CCN(C)C(=O)c1cnc(N2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150243 FF Annotated Bother CC[C@@H](C)Nc1ncc(C(=O)NCCOC)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082150289 FF Annotated Bother CC[C@H](C)Nc1ncc(C(=O)NCCOC)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082150292 FF Annotated Bother NC(=O)c1cnn2c1N(C(=O)Nc1cccc(F)c1)[C@@H](c1ccccc1)C2 ZINC000082152064 FF Annotated Anodyne NC(=O)c1cnn2c1N(C(=O)Nc1ccc(F)cc1)[C@H](c1ccccc1)C2 ZINC000082152066 FF Annotated Anodyne NC(=O)c1cnn2c1N(C(=O)Nc1ccc(F)cc1)[C@@H](c1ccccc1)C2 ZINC000082152069 FF Annotated Anodyne Nc1nc2cc(-c3cnc4[nH]c(=O)n(CC5CCCCC5)c4n3)ccc2[nH]1 ZINC000082152536 FF Annotated Anodyne CCOP(=O)(OCC)[C@@H]1C[C@@H](n2cc(-c3ccccn3)nn2)ON1C ZINC000082153871 FF Annotated Anodyne O=C1c2c(Cl)cccc2-c2nn(CCN3CCNCC3)c3cccc1c23 ZINC000082153970 FF Annotated Anodyne COC(=O)c1ccc2c(c1)[C@H]1COC3=C(C(=O)c4ccccc4C3=O)[C@H]1O2 ZINC000082154140 FF Annotated Mild COc1cc(C=O)cc2c1O[C@@H]1C3=C(OC[C@H]21)C(=O)c1ccccc1C3=O ZINC000082154142 FF Annotated Mild Cn1c2c(c3cc(S(=O)(=O)c4ccccn4)ccc31)[C@@H]1CC[C@H](C2)N1 ZINC000082154284 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccccn4)ccc31)[C@H]1CC[C@@H](C2)N1 ZINC000082154286 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccnc4)ccc31)[C@@H]1CC[C@H](C2)N1 ZINC000082154290 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cccnc4)ccc31)[C@H]1CC[C@@H](C2)N1 ZINC000082154292 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccncc4)ccc31)[C@@H]1CC[C@H](C2)N1 ZINC000082154300 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccncc4)ccc31)[C@H]1CC[C@@H](C2)N1 ZINC000082154301 FF Annotated Anodyne O=C(Nc1ccc(Br)cc1[N+](=O)[O-])c1cc(O)c(O)c(O)c1 ZINC000082154429 FF Annotated Clean COc1cc(-n2nnnc2-c2ccc(C(C)=O)cc2)cc(OC)c1OC ZINC000082155386 FF Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1OC(F)(F)F)C2 ZINC000082156454 FF Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(OC(F)(F)F)c1)C2 ZINC000082156457 FF Annotated Bother COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)c(O)c1 ZINC000082157099 FF Annotated Anodyne COc1ccc(/C=C2\Oc3c(cc(OC)c(OC)c3OC)C2=O)c(O)c1O ZINC000082157999 FF Annotated Mild C=C[C@@]1(C)CC[C@]2(O)[C@@]3(C(=O)OC)CCCC(C)(C)[C@@H]3C(=O)C(=O)[C@@]23C[C@@H]13 ZINC000082158207 FF Annotated Mild O=C1NC(=O)[C@@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)N1 ZINC000082158211 FF Annotated Anodyne O=C1NC(=O)[C@@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)N1 ZINC000082158212 FF Annotated Anodyne O=C1NC(=O)[C@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)N1 ZINC000082158213 FF Annotated Anodyne O=C1NC(=O)[C@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)N1 ZINC000082158214 FF Annotated Anodyne CC[C@@H](C)NC(=O)c1cnc(NCCCOC)nc1-c1ccc(C#N)cc1 ZINC000082158664 FF Annotated Mild CC[C@H](C)NC(=O)c1cnc(NCCCOC)nc1-c1ccc(C#N)cc1 ZINC000082158665 FF Annotated Mild CC[C@@H](C)Nc1ncc(C(=O)N2CCOCC2)c(-c2ccc(C#N)cc2)n1 ZINC000082159471 FF Annotated Mild CC[C@H](C)Nc1ncc(C(=O)N2CCOCC2)c(-c2ccc(C#N)cc2)n1 ZINC000082159472 FF Annotated Mild Cc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2)o1 ZINC000082162928 FF Annotated Anodyne Cc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccccc2)o1 ZINC000082162929 FF Annotated Anodyne CC(=O)NCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccccc2)n1 ZINC000082163324 FF Annotated Anodyne Cc1cnc(-c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)o1 ZINC000082163630 FF Annotated Bother CC(=O)NCCNc1ncc(-c2ncc(C)o2)c(-c2ccc(F)cc2)n1 ZINC000082164986 FF Annotated Anodyne CC(=O)N1CCN(c2ncc(-c3nc(C)c(C)o3)c(-c3ccco3)n2)CC1 ZINC000082165734 FF Annotated Anodyne Cc1nc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccco2)oc1C ZINC000082165804 FF Annotated Anodyne Cc1nc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccco2)oc1C ZINC000082165806 FF Annotated Anodyne CCc1cnc(-c2cnc(NCCNC(C)=O)nc2-c2ccco2)s1 ZINC000082166265 FF Annotated Anodyne CC(=O)NCCNc1ncc(-c2ncc(C)o2)c(-c2cccc(C)c2)n1 ZINC000082173856 FF Annotated Anodyne Cc1cnc(-c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000082174520 FF Annotated Bother CC(=O)NCCNc1ncc(-c2ncc(C)o2)c(-c2ccccc2F)n1 ZINC000082176078 FF Annotated Anodyne CC(=O)NCCNc1ncc(-c2ncc(C)o2)c(-c2ccccc2C)n1 ZINC000082177672 FF Annotated Anodyne CC(=O)NCCn1c(-c2ccccc2)nc2c(NCC(C)C)ncnc21 ZINC000082177777 FF Annotated Anodyne CC(=O)NCCn1c(-c2ccsc2)nc2c(NCC(C)C)ncnc21 ZINC000082177967 FF Annotated Anodyne CC(=O)NCCn1c(-c2cccs2)nc2c(NCC(C)C)ncnc21 ZINC000082178043 FF Annotated Anodyne CCCc1nc2c(NCC(C)C)ncnc2n1CCCN1CCCC1=O ZINC000082178152 FF Annotated Anodyne CC(C)CNc1ncnc2c1nc(C1CC1)n2CCCN1CCCC1=O ZINC000082178184 FF Annotated Anodyne CC(=O)NCCn1c(CC(C)C)nc2c(NCc3cccs3)ncnc21 ZINC000082178544 FF Annotated Anodyne CCCc1nc2c(NCc3cccs3)ncnc2n1CCNC(C)=O ZINC000082178648 FF Annotated Anodyne CC(=O)NCCn1c(C2CC2)nc2c(NCc3cccs3)ncnc21 ZINC000082178692 FF Annotated Anodyne COCCn1c(-c2ccc(OC)cc2)nc2c(NCC3CC3)ncnc21 ZINC000082179301 FF Annotated Anodyne COCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCC3CC3)ncnc21 ZINC000082179315 FF Annotated Anodyne CCCc1nc2c(NCc3ccccc3C)ncnc2n1CCNC(C)=O ZINC000082180479 FF Annotated Anodyne CC(=O)NCCn1c(C2CC2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180531 FF Annotated Anodyne CC(=O)NCCn1c(-c2ccsc2)nc2c(NCC3CC3)ncnc21 ZINC000082181225 FF Annotated Anodyne CC(=O)NCCn1c(C2CCCCC2)nc2c(NCC3CC3)ncnc21 ZINC000082181243 FF Annotated Anodyne CC(=O)NCCn1c(-c2cccs2)nc2c(NCC3CC3)ncnc21 ZINC000082181275 FF Annotated Anodyne CC(=O)NCCn1c(C(C)C)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185944 FF Annotated Anodyne CCCc1nc2c(NCc3ccc(F)cc3)ncnc2n1CCNC(C)=O ZINC000082185977 FF Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccoc1)n2CCNC(C)=O ZINC000082186306 FF Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1cccnc1)n2CCNC(C)=O ZINC000082186421 FF Annotated Anodyne CC(C)Cc1nc2c(NCC3CC3)ncnc2n1CCCN1CCCC1=O ZINC000082186642 FF Annotated Anodyne CCCc1nc2c(NCC3CC3)ncnc2n1CCCN1CCCC1=O ZINC000082186828 FF Annotated Anodyne COc1ccc(-c2csc(NCC(=O)NC(C)C)n2)cc1[N+](=O)[O-] ZINC000082192055 FF Annotated Bother COc1ccc(-c2csc(NCC(=O)NCC(C)C)n2)cc1[N+](=O)[O-] ZINC000082192079 FF Annotated Bother O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc(O)cc2)cs1 ZINC000082194206 FF Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc(O)cc2)cs1 ZINC000082194208 FF Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@H]1CCCN1c1nc(-c2ccc(O)cc2)cs1 ZINC000082194774 FF Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@H]1CCCN1c1nc(-c2ccc(O)cc2)cs1 ZINC000082194776 FF Annotated Anodyne COCCCNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(O)cc2)cs1 ZINC000082195555 FF Annotated Anodyne Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccco1)CC3 ZINC000082195981 FF Annotated Anodyne Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccccc1)CC3 ZINC000082196056 FF Annotated Anodyne CCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 ZINC000082196197 FF Annotated Anodyne CC(C)=CC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 ZINC000082196236 FF Annotated Anodyne Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)CC(C)(C)C)CC3 ZINC000082196248 FF Annotated Anodyne CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 ZINC000082196284 FF Annotated Anodyne CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 ZINC000082196300 FF Annotated Anodyne C=CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 ZINC000082196310 FF Annotated Mild CCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 ZINC000082196314 FF Annotated Anodyne CCC[C@@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 ZINC000082196317 FF Annotated Anodyne CCC[C@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 ZINC000082196318 FF Annotated Anodyne Cc1cnc(N(C)CCN(C)C)nc1NCCCN(C)c1ccccc1 ZINC000082202587 FF Annotated Anodyne CCOc1ccc(CCNc2nc(N(C)CCN(C)C)ncc2C)cc1 ZINC000082202589 FF Annotated Anodyne CCN1CCN(c2ncc(C)c(NCCc3ccc(OC)cc3)n2)CC1 ZINC000082202671 FF Annotated Anodyne CCN1CCN(c2ncc(C)c(NCCCN(C)c3ccccc3)n2)CC1 ZINC000082202686 FF Annotated Anodyne CCOc1ccc(CCNc2nc(N3CCN(CC)CC3)ncc2C)cc1 ZINC000082202687 FF Annotated Anodyne COc1cccc(CNc2nc(N3CCSCC3)ncc2C)c1OC ZINC000082202816 FF Annotated Anodyne COc1cc(CNc2nc(N3CCSCC3)ncc2C)cc(OC)c1 ZINC000082202819 FF Annotated Anodyne CCN1CCN(c2ncc(C)c(NCc3cccc(OC)c3OC)n2)CC1 ZINC000082202861 FF Annotated Anodyne CCN1CCN(c2ncc(C)c(NCc3cc(OC)cc(OC)c3)n2)CC1 ZINC000082202863 FF Annotated Anodyne CCN1CCN(c2ncc(C)c(N[C@H](COC)Cc3ccccc3)n2)CC1 ZINC000082202879 FF Annotated Anodyne CCN1CCN(c2ncc(C)c(NCc3ccc(N(C)C)cc3)n2)CC1 ZINC000082202880 FF Annotated Clean CCSCCNc1nc(N2CCN(c3ccccn3)CC2)ncc1C ZINC000082203340 FF Annotated Anodyne Cc1cnc(N2CCC(N3CCCC3)CC2)nc1NCCc1ccccn1 ZINC000082203558 FF Annotated Anodyne Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NCc1ccccn1 ZINC000082203562 FF Annotated Anodyne Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NCCCOC(C)C ZINC000082203567 FF Annotated Anodyne Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NCc1cccs1 ZINC000082203585 FF Annotated Anodyne Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NC1CCC(C)CC1 ZINC000082203586 FF Annotated Anodyne Cc1cnc(N2CCC(C(N)=O)CC2)nc1Nc1ccc2c(c1)CCC2 ZINC000082203691 FF Annotated Anodyne Cc1cnc(N2CCC(C(N)=O)CC2)nc1N[C@@H](C)c1ccc(F)cc1 ZINC000082203705 FF Annotated Anodyne Cc1cnc(N2CCC(C(N)=O)CC2)nc1N[C@H](C)c1ccc(F)cc1 ZINC000082203709 FF Annotated Anodyne CC(=O)N[C@H]1CCN(c2ncc(C)c(Nc3ccc4c(c3)CCC4)n2)C1 ZINC000082203718 FF Annotated Anodyne CC(=O)N[C@@H]1CCN(c2ncc(C)c(Nc3ccc4c(c3)CCC4)n2)C1 ZINC000082203720 FF Annotated Anodyne CC(=O)N[C@H]1CCN(c2ncc(C)c(N[C@@H](C)c3ccc(F)cc3)n2)C1 ZINC000082203752 FF Annotated Anodyne CC(=O)N[C@H]1CCN(c2ncc(C)c(N[C@H](C)c3ccc(F)cc3)n2)C1 ZINC000082203757 FF Annotated Anodyne Cc1cnc(N2CCC[C@H](C(N)=O)C2)nc1Nc1ccc2c(c1)CCC2 ZINC000082203766 FF Annotated Anodyne Cc1cnc(N2CCC[C@@H](C(N)=O)C2)nc1Nc1ccc2c(c1)CCC2 ZINC000082203767 FF Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccc(F)cc1)CCN2 ZINC000082204732 FF Annotated Anodyne CCCn1c(=O)c(NCCC(C)C)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205194 FF Annotated Anodyne CCCn1c(=O)c(NCC(C)C)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205196 FF Annotated Anodyne CC(C)CNc1c2n(c(=O)n(C(C)C)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205260 FF Annotated Anodyne CCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205694 FF Annotated Anodyne CCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205699 FF Annotated Anodyne CCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205702 FF Annotated Anodyne CC(C)n1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205764 FF Annotated Anodyne CC(C)n1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205766 FF Annotated Anodyne CC(C)n1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082206015 FF Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](C(C)C)N2 ZINC000082206624 FF Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@@H](C(C)C)N2 ZINC000082206626 FF Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](C)N2 ZINC000082207265 FF Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@@H](C)N2 ZINC000082207268 FF Annotated Anodyne C[C@@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082207275 FF Annotated Anodyne C[C@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082207277 FF Annotated Anodyne CCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@H](CC)N2 ZINC000082207395 FF Annotated Anodyne CCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@@H](CC)N2 ZINC000082207398 FF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCc1ccccc1N ZINC000082207708 FF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCc1ccccc1N ZINC000082207713 FF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCc1ccccc1N ZINC000082207717 FF Annotated Anodyne CC[C@@H]1Cn2c(c(NCCC(C)C)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208038 FF Annotated Anodyne CC[C@H]1Cn2c(c(NCCC(C)C)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208041 FF Annotated Anodyne CCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)C[C@H](CC)N2 ZINC000082208198 FF Annotated Anodyne CCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)C[C@@H](CC)N2 ZINC000082208200 FF Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(C(C)C)c2=O)N1 ZINC000082208356 FF Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(C(C)C)c2=O)N1 ZINC000082208358 FF Annotated Anodyne C=CCn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208443 FF Annotated Mild C=CCn1c(=O)c(NCc2ccccc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208447 FF Annotated Mild C=CCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@H](C)CN2 ZINC000082210749 FF Annotated Mild C=CCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@@H](C)CN2 ZINC000082210750 FF Annotated Mild C[C@@H]1CNc2c(NCc3ccccc3)c(=O)n(Cc3ccccc3)c(=O)n21 ZINC000082210766 FF Annotated Anodyne C[C@H]1CNc2c(NCc3ccccc3)c(=O)n(Cc3ccccc3)c(=O)n21 ZINC000082210770 FF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCC#N ZINC000082210771 FF Annotated Mild C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCC#N ZINC000082210776 FF Annotated Mild C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCC#N ZINC000082210779 FF Annotated Mild C[C@@H]1CNc2c(NCc3ccsc3)c(=O)n(Cc3ccccc3)c(=O)n21 ZINC000082210797 FF Annotated Anodyne C[C@H]1CNc2c(NCc3ccsc3)c(=O)n(Cc3ccccc3)c(=O)n21 ZINC000082210802 FF Annotated Anodyne C[C@@H]1CNc2c(NCc3ccccc3)c(=O)n(Cc3ccsc3)c(=O)n21 ZINC000082210979 FF Annotated Anodyne C[C@H]1CNc2c(NCc3ccccc3)c(=O)n(Cc3ccsc3)c(=O)n21 ZINC000082210982 FF Annotated Anodyne C[C@@H]1CNc2c(NCc3ccsc3)c(=O)n(Cc3ccsc3)c(=O)n21 ZINC000082211009 FF Annotated Anodyne C[C@H]1CNc2c(NCc3ccsc3)c(=O)n(Cc3ccsc3)c(=O)n21 ZINC000082211012 FF Annotated Anodyne C[C@@H]1CNc2c(NCc3ccoc3)c(=O)n(CC3CCCCC3)c(=O)n21 ZINC000082211060 FF Annotated Anodyne C[C@H]1CNc2c(NCc3ccoc3)c(=O)n(CC3CCCCC3)c(=O)n21 ZINC000082211062 FF Annotated Anodyne CCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@H](C)CN2 ZINC000082211228 FF Annotated Anodyne CCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211229 FF Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@H](C)CN2 ZINC000082211559 FF Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@@H](C)CN2 ZINC000082211561 FF Annotated Anodyne C[C@@H]1CNc2c(NCCC(C)(C)C)c(=O)n(Cc3ccccc3)c(=O)n21 ZINC000082211571 FF Annotated Anodyne C[C@H]1CNc2c(NCCC(C)(C)C)c(=O)n(Cc3ccccc3)c(=O)n21 ZINC000082211574 FF Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@H](C)CN2 ZINC000082211781 FF Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@@H](C)CN2 ZINC000082211784 FF Annotated Anodyne C[C@@H]1CNc2c(NCCC(C)(C)C)c(=O)n(Cc3ccsc3)c(=O)n21 ZINC000082211790 FF Annotated Anodyne C[C@H]1CNc2c(NCCC(C)(C)C)c(=O)n(Cc3ccsc3)c(=O)n21 ZINC000082211793 FF Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)[C@H](C)CN3)cc1 ZINC000082212156 FF Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)[C@@H](C)CN3)cc1 ZINC000082212157 FF Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](C)CN2 ZINC000082212270 FF Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](C)CN2 ZINC000082212271 FF Annotated Anodyne CCCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082212376 FF Annotated Anodyne CC(C)n1c(=O)c(NC(=O)C2CC2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082212538 FF Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@@H](CC)N2 ZINC000082213050 FF Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](CC)N2 ZINC000082213051 FF Annotated Anodyne CC[C@@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082213054 FF Annotated Anodyne CC[C@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082213055 FF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCCCSC ZINC000082219724 FF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCCCSC ZINC000082219728 FF Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCCCSC ZINC000082219730 FF Annotated Anodyne CC(=O)NCCn1c(C(C)C)nc2c(NCc3cccs3)ncnc21 ZINC000082221641 FF Annotated Anodyne O=C1CCCN1CCCn1c(C2CC2)nc2c(NCC3CC3)ncnc21 ZINC000082222752 FF Annotated Anodyne CCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082224185 FF Annotated Anodyne CCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082224188 FF Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(C(C)C)c2=O)N1 ZINC000082224270 FF Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(C(C)C)c2=O)N1 ZINC000082224271 FF Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@@H](C(C)C)N3)c1 ZINC000082224273 FF Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@H](C(C)C)N3)c1 ZINC000082224275 FF Annotated Anodyne C=CCn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082224351 FF Annotated Mild C=CCn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082224352 FF Annotated Mild CCCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082224384 FF Annotated Anodyne CCCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082224387 FF Annotated Anodyne CCCn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082224409 FF Annotated Anodyne CCCn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082224411 FF Annotated Anodyne CC(C)n1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@H](C)CN2 ZINC000082224512 FF Annotated Anodyne CC(C)n1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@@H](C)CN2 ZINC000082224513 FF Annotated Anodyne CC(C)c1nc2c(NCC3CC3)ncnc2n1CCCN1CCCC1=O ZINC000082226285 FF Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@@H](CC)N3)cc1 ZINC000082227997 FF Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@H](CC)N3)cc1 ZINC000082228000 FF Annotated Anodyne Cc1nc2c(C(=O)N3CCCC3)cnn2c(O)c1Cc1ccccc1F ZINC000082230262 FF Annotated Clean CCOC(=O)CCc1nc2nc(N(C)C3CCCCC3)ccc2[nH]c1=O ZINC000082231311 FF Annotated Anodyne CC[C@@H](C)c1nc2nc(N(CCO)Cc3ccccc3)ccc2[nH]c1=O ZINC000082231322 FF Annotated Anodyne CC[C@H](C)c1nc2nc(N(CCO)Cc3ccccc3)ccc2[nH]c1=O ZINC000082231323 FF Annotated Anodyne CC(C)Cc1nc2nc(N(CCO)Cc3ccccc3)ccc2[nH]c1=O ZINC000082231336 FF Annotated Anodyne CCCCc1nc2nc(N(CCO)Cc3ccccc3)ccc2[nH]c1=O ZINC000082231364 FF Annotated Anodyne CC(C)c1nc2nc(N(C)[C@@H](C)[C@H](O)c3ccccc3)ccc2[nH]c1=O ZINC000082231392 FF Annotated Anodyne CC(C)c1nc2nc(N(C)[C@H](C)[C@H](O)c3ccccc3)ccc2[nH]c1=O ZINC000082231393 FF Annotated Anodyne O=c1[nH]c2ccc(N3CCOCC3)nc2nc1CSCc1ccccc1 ZINC000082231529 FF Annotated Anodyne O=c1[nH]c2ccc(N3CCCC[C@@H]3CCO)nc2nc1-c1ccccc1 ZINC000082231644 FF Annotated Anodyne O=c1[nH]c2ccc(N3CCCC[C@H]3CCO)nc2nc1-c1ccccc1 ZINC000082231645 FF Annotated Anodyne CC(C)c1nc2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2[nH]c1=O ZINC000082231653 FF Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CCC[C@H]4CCCC[C@@H]43)ccc2[nH]c1=O ZINC000082231671 FF Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CCC[C@@H]4CCCC[C@@H]43)ccc2[nH]c1=O ZINC000082231672 FF Annotated Anodyne CCOC(=O)CCc1nc2nc(N(CC(C)C)CC(C)C)ccc2[nH]c1=O ZINC000082231683 FF Annotated Anodyne COC(=O)NCC(=O)/N=c1/sccn1Cc1cccc2ccccc12 ZINC000083891410 FF Annotated Anodyne N#C/C=C1/c2ccccc2N=C(NCCN2CCOCC2)c2ccccc21 ZINC000084462487 FF Annotated Reactive CC(C)N1CCC[C@@H](COC(=O)c2ccccc2N2C(=O)C[C@@H](C)C2=O)C1 ZINC000084495529 FF Annotated Anodyne CC(C)N1CCC[C@H](COC(=O)c2ccccc2N2C(=O)C[C@H](C)C2=O)C1 ZINC000084495531 FF Annotated Anodyne CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccncc1)/C(=C(\O)OC)C(C)=N2 ZINC000084526849 FF Annotated Anodyne NC(=O)c1cnn2c1N(C(=O)Nc1cccc(F)c1)[C@H](c1ccccc1)C2 ZINC000084538163 FF Annotated Anodyne NC(=O)c1cnn2c1N(C(=O)Nc1ccccc1F)[C@H](c1ccccc1)C2 ZINC000084541516 FF Annotated Anodyne NC(=O)c1cnn2c1N(C(=O)Nc1ccccc1F)[C@@H](c1ccccc1)C2 ZINC000084541519 FF Annotated Anodyne O=C(c1cccnc1)N1CCc2nc(-c3cc4ccccc4[nH]c3=O)[nH]c2C1 ZINC000084587840 FF Annotated Anodyne O=C(c1ccncc1)N1CCc2nc(-c3cc4ccccc4[nH]c3=O)[nH]c2C1 ZINC000084587845 FF Annotated Anodyne O=S1(=O)N=C(O)c2ccc(NC(=S)Nc3ccccc3F)cc21 ZINC000084596685 FF Annotated Anodyne COc1cc2c(c3c1OCO3)-c1c(cc(OC)c3c1OCO3)CN(C)C2 ZINC000084602079 FF Annotated Anodyne C[C@@](OCc1ccc(-c2ccccc2)cc1)(C(=O)NO)[C@@H](O)c1ccn[nH]1 ZINC000084602291 FF Annotated Bother C[C@@](OCc1ccc(-c2ccccc2)cc1)(C(=O)NO)[C@@H](O)c1ncco1 ZINC000084602293 FF Annotated Bother CC1(C)C[C@H](O)C[C@](C)(CNc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000084602669 FF Annotated Anodyne OCCCCCO[C@H]1C[C@H]2C[C@@H]1C[C@@H]2n1cnc2c(Cl)ncnc21 ZINC000084602936 FF Annotated Anodyne COn1c(C=O)c(C(=O)OCc2ccccc2)c(=O)c2cc(Cl)ccc21 ZINC000084603163 FF Annotated Anodyne C[C@@](OCc1ccc(-c2ccccc2)cc1)(C(=O)NO)[C@@H](O)c1ccno1 ZINC000084604365 FF Annotated Bother C[C@@](OCc1ccc(-c2ccccc2)cc1)(C(=O)NO)[C@@H](O)c1ccon1 ZINC000084604366 FF Annotated Bother CC1(C)C[C@H](O)C[C@](C)(CNc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000084605189 FF Annotated Anodyne CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccc(O)cc14)[C@@H]32 ZINC000084616139 FF Annotated Anodyne CCOCC[C@H](O)[C@](C)(OCc1ccc(-c2ccccc2)cc1)C(=O)NO ZINC000084616474 FF Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000084616668 FF Annotated Bother COc1cc(/C=C2/N=C(C)N(Cc3ccncc3)C2=O)cc(OC)c1OC ZINC000084617567 FF Annotated Anodyne CCOC(=O)CNC(=S)/N=C(\Nc1ccc(OC)cc1)c1ccccc1 ZINC000084632598 FF Annotated Mild COc1cc(-c2c[nH]c3c(ccn4ccnc34)c2=O)cc(OC)c1OC ZINC000084634361 FF Annotated Anodyne CCN(CC)C(=O)COC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C ZINC000084635603 FF Annotated Anodyne CCN(CC)C(=O)COC(=O)c1ccc2nc(C(F)(F)F)n(C)c2c1 ZINC000084635605 FF Annotated Anodyne CCCC(=O)N1c2c(O)cccc2[C@]23CCN4CC[C@H](C[C@H]12)C1=CCO[C@]143 ZINC000084651880 FF Annotated Anodyne COc1cc([C@@H]2CC(c3c(O)ccc4c(C)cc(=O)oc34)=NN2)ccc1O ZINC000084651999 FF Annotated Clean COc1cc([C@H]2CC(c3c(O)ccc4c(C)cc(=O)oc34)=NN2)ccc1O ZINC000084652000 FF Annotated Clean C[C@H]1CCCC[C@H]1Oc1nc(N)c2c(=O)ccn([C@@H]3CCCC[C@H]3O)c2n1 ZINC000084652601 FF Annotated Anodyne CO[C@@H]1CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1 ZINC000084652875 FF Annotated Anodyne CO[C@H]1CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1 ZINC000084652876 FF Annotated Anodyne C[C@H]1CN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C[C@@H](C)O1 ZINC000084652879 FF Annotated Anodyne C[C@H]1CN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C[C@H](C)O1 ZINC000084652880 FF Annotated Anodyne C[C@@H]1CN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C[C@@H](C)O1 ZINC000084652881 FF Annotated Anodyne O=C(NC(=S)NNc1ncnc2ccccc12)c1ccccc1Cl ZINC000084653089 FF Annotated Anodyne O=C(NC(=S)NNc1ncnc2ccccc12)c1cccc(Cl)c1 ZINC000084653090 FF Annotated Anodyne O=C(NC(=S)NNc1ncnc2ccccc12)c1ccc(Cl)cc1 ZINC000084653091 FF Annotated Anodyne Cc1ccc(/C=C(\C#N)C(=O)Nn2c(C)nc3ccc(C)cc3c2=O)cc1 ZINC000084653599 FF Annotated Reactive COC1=CC2=C3c4c(c(OC)cc5ccnc(c45)CC2)O[C@]3(OC)C1=O ZINC000084654104 FF Annotated Mild COC(=O)C1=C(Nc2ccc(C(=O)O)cc2)C(=O)N(C2CCCCC2)[C@@H]1C ZINC000084655366 FF Annotated Anodyne COC(=O)C1=C(Nc2ccc(C(=O)O)cc2)C(=O)N(C2CCCCC2)[C@H]1C ZINC000084655368 FF Annotated Anodyne C[C@@H]1CC[C@H](O)C(C)(C)[C@]12Cc1cc(C(=O)O)cc(/C=C/C(=O)O)c1O2 ZINC000084668921 FF Annotated Anodyne Cc1ccc(C)c(Cn2c(Sc3cccc(N)c3)cc(=O)[nH]c2=O)c1 ZINC000084668946 FF Annotated Anodyne O=C(O)Cc1ccn(-c2cncc(-n3ncc4ccc(Cl)cc43)n2)c1 ZINC000084669162 FF Annotated Anodyne C[C@@H]1Nc2c(-c3ccc(C(=O)O)cc3)cc(Cl)cc2S(=O)(=O)N1 ZINC000084669696 FF Annotated Anodyne C[C@H]1Nc2c(-c3ccc(C(=O)O)cc3)cc(Cl)cc2S(=O)(=O)N1 ZINC000084669697 FF Annotated Anodyne CCOCn1c(Cc2cc(C)cc(C)c2)c(Br)c(N)nc1=O ZINC000084669722 FF Annotated Anodyne O=C(O)Cc1ccn(-c2cncc(-n3nc(Cl)c4ccccc43)n2)c1 ZINC000084670230 FF Annotated Anodyne F[C@H]1CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1 ZINC000084670362 FF Annotated Anodyne F[C@@H]1CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1 ZINC000084670363 FF Annotated Anodyne C[C@@H]1CC[C@H](O)C(C)(C)[C@]12Cc1cc(C(=O)O)cc(CCC(=O)O)c1O2 ZINC000084670391 FF Annotated Anodyne CCOCn1c(Cc2cc(C)cc(C)c2)c(Br)c(=O)[nH]c1=O ZINC000084670480 FF Annotated Anodyne FC1(F)CCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1 ZINC000084670987 FF Annotated Anodyne C[C@@H]1CC[C@H](Oc2nc(N)c3c(=O)ccn([C@H]4CCC[C@@H]4O)c3n2)[C@H](C)C1 ZINC000084671073 FF Annotated Anodyne C[C@@H]1CC[C@@H](Oc2nc(N)c3c(=O)ccn([C@H]4CCC[C@@H]4O)c3n2)[C@H](C)C1 ZINC000084671077 FF Annotated Anodyne CCSc1nn2c(=O)c(/C=N/O)c(Cl)c(C#N)c2n1-c1ccccc1 ZINC000084671635 FF Annotated Mild COC(=O)c1cc2c(s1)C(=O)C(Cl)=C([n+]1cccc(Cl)c1)C2=O ZINC000084671854 FF Annotated Mild Cc1ccc([C@H]2SCC(=O)N2Nc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000084672282 FF Annotated Anodyne Cc1ccc([C@@H]2SCC(=O)N2Nc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000084672283 FF Annotated Anodyne CCc1ccc[n+](C2=C(Cl)C(=O)c3sc(C(=O)OC)cc3C2=O)c1 ZINC000084672325 FF Annotated Mild CCCc1nn(C)c2c(=O)nc(-c3ccc(O)c(OC(F)F)c3)[nH]c12 ZINC000084688036 FF Annotated Anodyne COC(=O)c1cc2c(s1)C(=O)C(Cl)=C([n+]1ccc(Cl)cc1)C2=O ZINC000084688188 FF Annotated Mild O=C(CC1CCNCC1)/N=c1/[nH]c2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000084689532 FF Annotated Anodyne COC(=O)c1cc2c(s1)C(=O)c1c(C(C)=O)c3ccc(F)cn3c1C2=O ZINC000084690451 FF Annotated Clean CC(=O)c1ccc(-c2ccc3c(c2)c(=O)c(C(=O)O)cn3CCO)s1 ZINC000084690461 FF Annotated Anodyne CC(C)[C@@]1(c2ccc(-c3ccc4c(ccn4C)c3)[nH]c2=O)OC(=O)NC1=O ZINC000084690907 FF Annotated Anodyne CC(C)[C@]1(c2ccc(-c3ccc4c(ccn4C)c3)[nH]c2=O)OC(=O)NC1=O ZINC000084690908 FF Annotated Anodyne Nc1scc2c(C(=O)O)nn(-c3ccc(C(F)(F)F)cc3)c(=O)c12 ZINC000084703803 FF Annotated Anodyne CCCNc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O ZINC000084707399 FF Annotated Anodyne Nc1scc2c(C(=O)O)nn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12 ZINC000084711255 FF Annotated Anodyne CC(C)NC(=O)c1nn(-c2cccc(Cl)c2)c(=O)c2c(N)scc12 ZINC000084711418 FF Annotated Anodyne COC(=O)c1c(C(F)(F)F)nn(C/C=C/c2ccccc2)c(=O)c1OC ZINC000084711789 FF Annotated Anodyne Cc1ccc2nc(C)n(NC(=O)c3sc4c(c3N)CCCC4)c(=O)c2c1 ZINC000084712872 FF Annotated Anodyne C#CCOc1ccc(NC(=O)CN2CCCCC2)cc1C(=O)NCCCC ZINC000084713413 FF Annotated Mild N#CC1=C(N)OC2=C(C(=O)CN(Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000084713437 FF Annotated Reactive N#CC1=C(N)OC2=C(C(=O)CN(Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000084713439 FF Annotated Reactive Cc1cc(NNC(=O)c2ccc([N+](=O)[O-])cc2)c2cc3c(cc2n1)OCO3 ZINC000084725413 FF Annotated Reactive O=C1C[C@@H](c2ccccc2F)C(=O)N1CN1CCN(C2CCCCC2)CC1 ZINC000084731219 FF Annotated Anodyne COc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc(OC)c1O ZINC000084741562 FF Annotated Mild CC(C)C[C@H]1CN(c2ccc(Cl)c(C(=O)c3cccnc3N)n2)CCN1 ZINC000084758313 FF Annotated Anodyne CCOC(=O)c1nc(O)c2c(n1)N(c1ccccc1)C(=O)N1CCC[C@H]21 ZINC000084758894 FF Annotated Anodyne CCOC(=O)c1nc(O)c2c(n1)N(c1ccccc1)C(=O)N1CCC[C@@H]21 ZINC000084758895 FF Annotated Anodyne CCCNC(=O)c1coc(NC(=O)c2ccccc2Br)n1 ZINC000084759511 FF Annotated Anodyne CN(C(=O)c1ccc(=O)[nH]c1)C1(C(=O)NC2CCCCC2)CCCCC1 ZINC000008584579 FF Annotated Anodyne Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1N(C)C ZINC000008600788 FF Annotated Anodyne COCCCNC(=O)c1cnc2c(-c3ccc(F)cc3)c(C)nn2c1C ZINC000008603140 FF Annotated Anodyne Cc1cccc(NC(=O)c2cnc3sc(N4CCCC4)nn3c2=O)c1C ZINC000008603244 FF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2[C@@H](C)C(=O)NCCC(C)C ZINC000008605371 FF Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2[C@H](C)C(=O)NCCC(C)C ZINC000008605372 FF Annotated Anodyne Cc1ccc(C)c(N2CCN(C(=O)Cc3c(C(=O)O)c(C)cn3C)CC2)c1 ZINC000008607768 FF Annotated Anodyne CCN1CCN(c2ncc3c(n2)CCN(Cc2sccc2C)C3)CC1 ZINC000008608679 FF Annotated Anodyne COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]12 ZINC000008612943 FF Annotated Anodyne N#C/C(=C\Nc1cnc2ccccc2c1)C(=O)NC(=O)Cc1ccccc1 ZINC000008643027 FF Annotated Reactive CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)[C@H]1c1cccs1 ZINC000008661209 FF Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)[C@@H]1c1cccs1 ZINC000008661210 FF Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)[C@H]1c1cccs1 ZINC000008661211 FF Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)[C@@H]1c1cccs1 ZINC000008661212 FF Annotated Anodyne C[C@]1(/C(O)=N/Cc2cccnc2)CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000008661432 FF Annotated Mild C[C@@]1(/C(O)=N/Cc2cccnc2)CCC(=O)N1Cc1ccc2c(c1)OCO2 ZINC000008661433 FF Annotated Mild CC(C)CC/N=C(\O)[C@H]1CCCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000008662101 FF Annotated Mild CC(C)CC/N=C(\O)[C@@H]1CCCN(S(=O)(=O)N2CCC(C)CC2)C1 ZINC000008662102 FF Annotated Mild CCOCCn1cnc2sc(C(=O)N3CCCCCC3)c(C)c2c1=O ZINC000008662450 FF Annotated Anodyne O=[N+]([O-])c1cc2c(cc1/C=N\n1c(S)nnc1-c1ccccc1)OCO2 ZINC000008666532 FF Annotated Mild O=C(NC[C@@H]1CCCO1)c1onc(CSc2ccccc2)c1C(=O)O ZINC000008672406 FF Annotated Anodyne O=C(NC[C@H]1CCCO1)c1onc(CSc2ccccc2)c1C(=O)O ZINC000008672407 FF Annotated Anodyne COCCNC(=O)c1onc(CSc2ccc(C)c(C)c2)c1C(=O)O ZINC000008672436 FF Annotated Anodyne COc1cc2c(cc1OC)C(C(=O)c1ccc(OC)c(OC)c1O)=NCC2 ZINC000008681859 FF Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(Br)cc3[C@H](O)[C@H]2O)c1 ZINC000008681883 FF Annotated Anodyne COC(=O)C1(C(=O)OC)C/C=C\C/C=C\c2ccccc2[C@@H]1C[N+](=O)[O-] ZINC000008682168 FF Annotated Bother COC(=O)c1nnc(C(=O)NCc2ccccc2)c2[nH]c3ccccc3c12 ZINC000008682171 FF Annotated Anodyne COC(=O)C(C(=O)OC)[C@H]1c2ccccc2C=C(C2CC2)N1C(=O)OC ZINC000008682193 FF Annotated Anodyne C/C=C/C1=Cc2ccccc2[C@H](C(C(=O)OC)C(=O)OC)N1C(=O)OC ZINC000008682198 FF Annotated Anodyne C/C=C/C1=Cc2ccccc2[C@@H](C(C(=O)OC)C(=O)OC)N1C(=O)OC ZINC000008682199 FF Annotated Anodyne C=CCNC(=O)c1onc(CSc2ccc(F)c(F)c2)c1C(=O)O ZINC000008691328 FF Annotated Mild C=CCNC(=O)c1onc(CSc2cccc(OCC)c2)c1C(=O)O ZINC000008691332 FF Annotated Mild COCCNC(=O)c1onc(CSc2cc(C)cc(C)c2)c1C(=O)O ZINC000008691355 FF Annotated Anodyne COCCNC(=O)c1onc(CSc2cccc(Cl)c2)c1C(=O)O ZINC000008691398 FF Annotated Anodyne COC(=O)c1ccccc1Oc1c(F)c(F)nc(N2CCOCC2)c1F ZINC000008801919 FF Annotated Anodyne COc1ccc(SCc2noc(C(=O)NC(C)C)c2C(=O)O)cc1 ZINC000008829360 FF Annotated Anodyne COCCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(=O)O ZINC000008829363 FF Annotated Anodyne COCCNC(=O)c1onc(CSc2cc(C)ccc2C)c1C(=O)O ZINC000008829364 FF Annotated Anodyne Cc1ccc(CCNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1 ZINC000008829419 FF Annotated Bother Cc1ccc(CCNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1 ZINC000008829420 FF Annotated Bother Cc1cc(C)cc(-n2ccn3c(CC(C)(C)CC(=O)O)nnc3c2=O)c1 ZINC000008830861 FF Annotated Anodyne C[C@]1(OC(=O)c2ccc(Cl)nc2)C(=O)C=C2C=C(C3CC3)OC=C2C1=O ZINC000008860654 FF Annotated Mild C[C@@]1(OC(=O)c2ccc(Cl)nc2)C(=O)C=C2C=C(C3CC3)OC=C2C1=O ZINC000008860655 FF Annotated Mild Cc1ccc(C[C@@]2(NC(=O)c3ccccc3)N=C3C=CC=CN3C2=O)cc1 ZINC000008931957 FF Annotated Anodyne Cc1ccc(C[C@]2(NC(=O)c3ccccc3)N=C3C=CC=CN3C2=O)cc1 ZINC000008931958 FF Annotated Anodyne C=C1[C@H]2CC[C@]3([C@H](C2)[C@@]24CCC[C@@]5(C)CN(CCO)[C@@H]2O[C@@H]3C[C@@H]45)[C@@H]1O ZINC000085487136 FF Annotated Mild in-vitro biogenic C[C@@H]1N[C@H](C[C@@H](CC=O)CCCCCCC[C@@H](O)CC(=O)O)CC[C@H]1O ZINC000085488293 FF Annotated Mild in-vitro biogenic CCN1C[C@@H]2CC[C@H](OC)[C@@]34[C@H]5C[C@H]6C(=O)[C@@H]5[C@@H](C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14 ZINC000085493122 FF Annotated Anodyne in-vitro biogenic CC(=O)OC[C@@H](O)[C@]1(C)C=C2CC[C@@H]3[C@@H](CC(=O)C[C@@]3(C)CO)[C@H]2CC1 ZINC000085510673 FF Annotated Anodyne in-vitro biogenic CO[C@H](CO)CCc1ccc(C[C@H]2C=C(C)[C@@H](O)C[C@@H]2C(C)(C)O)cc1 ZINC000085510774 FF Annotated Anodyne in-vitro biogenic C=C1C[C@@]23CC[C@@H]1C[C@@H]2[C@]12CCC[C@](C)([C@@H]1[C@@H](O)C3)[C@H]1OCCN1[C@@H]2O ZINC000085539978 FF Annotated Mild in-vitro biogenic COC(=O)[C@@H]1C[C@@]23C=CC[N+]4([O-])CC[C@]5(c6ccccc6N[C@]15[C@@H]2C)[C@@H]34 ZINC000085541632 FF Annotated Bother in-vitro biogenic COC(=O)[C@@H]1C[C@@]23C=CC[N+]4([O-])CC[C@]5(c6ccccc6N[C@]15[C@@H]2C)[C@H]34 ZINC000085541639 FF Annotated Bother in-vitro biogenic CC1(C)O[C@@]2([C@H]3C[C@@H](CO)C[C@@H](Cc4ccc(N)nc4)C3)CC[C@@H]1[C@@H](N)C2 ZINC000085543246 FF Annotated Anodyne in-vitro biogenic CCOC(=O)C[C@H](O)C[C@H](O)CC[C@@]1(O)[C@@H](C)C=CC2=C[C@H](C)CC[C@@H]21 ZINC000085545450 FF Annotated Anodyne C[C@H](c1ccc(C=O)cc1)[C@H]1C[C@@H]([C@@H]2CC[C@@H]3CCC[C@@H]3N2)[C@@]2(O)CN12 ZINC000085547790 FF Annotated Anodyne in-vitro biogenic C[C@H](c1ccc(C=O)cc1)[C@H]1[C@@H]2C=C[C@@H]3N1[C@]3(O)[C@H]2CNC1CCCC1 ZINC000085547849 FF Annotated Anodyne in-vitro biogenic CCNC[C@H]1[C@H]2C=C[C@@H]3N([C@H]2[C@@H](c2ccc(C=O)cc2)C2CCCC2)[C@@]31O ZINC000085547858 FF Annotated Anodyne in-vitro biogenic C[C@@H](/C=C/[C@@H](C)C(C)(C)O)[C@@]1(O)CC[C@H]2C3=CC(=O)O[C@@]3(O)CC[C@@]21C ZINC000085548463 FF Annotated Anodyne COC[C@]1(O)C(C(=O)O)=C2C[C@H]3CC[C@@H](C)[C@@]24[C@@H]1c1[cH-]cnc1C[C@@]34C ZINC000085548923 FF Annotated Anodyne in-vitro biogenic CCOC[C@H]1C[C@@]23C(=C1C(=O)O)C[C@@H](CC[C@H]2C)[C@@]3(C)CNC(=N)NC ZINC000085549059 FF Annotated Anodyne in-vitro biogenic C[C@@H]1[C@@H](CO)C[C@@H]2CC3=C(CCC[C@H]4CCNC(N)=N4)C(=O)C[C@@]31C2(C)C ZINC000085549594 FF Annotated Mild in-vitro biogenic CC1(C)[C@H]2CC3=C(CCCCN=C(N)N)C(=O)[C@@H]4C=CC[C@H]([C@@H](CO)C2)[C@]341 ZINC000085549625 FF Annotated Mild in-vitro biogenic CC1(C)[C@@H]2CC[C@@H](CCCO)[C@]13CC(=O)C(CCCCN=C(N)N)=C3C2 ZINC000085549645 FF Annotated Mild in-vitro biogenic O=C(O)CCC[C@@H](O)/C=C\C=C\CC[C@@H](O)C/C=C\CCCCC(O)O ZINC000085588758 FF Annotated Anodyne in-man endogenous C[C@@H](/C=C/C=C/C(=O)O[C@H]1C=CC2=CC(=O)[C@H](O)C[C@]2(C)[C@H]1C)CCO ZINC000085592893 FF Annotated Mild CC(C)CCC[C@]1(C)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@H]1O ZINC000085593589 FF Annotated Anodyne in-vitro biogenic CCCOc1c2c(cc3oc(CO)cc(=O)c13)O[C@H]1[C@@H]2CCC[C@@]1(C)O ZINC000085594482 FF Annotated Anodyne in-vitro biogenic CC[C@](C)(O)/C=C/C=C/C(=O)O[C@H]1C=CC2=CC(=O)[C@H](O)C[C@]2(C)[C@H]1C ZINC000085596852 FF Annotated Mild CC[C@@](C)(O)/C=C/C=C/C(=O)O[C@H]1C=CC2=CC(=O)[C@H](O)C[C@]2(C)[C@H]1C ZINC000085596853 FF Annotated Mild CC[C@H](/C=C/C=C/C(=O)O[C@H]1C=CC2=CC(=O)[C@H](O)C[C@]2(C)[C@H]1C)CO ZINC000085596859 FF Annotated Mild CC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)/C=C/C=C/[C@@H]1CO ZINC000085598074 FF Annotated Mild C[C@H](/C=C/C=C/C(=O)O[C@H]1C=CC2=CC(=O)[C@H](O)C[C@]2(C)[C@H]1C)CC(=O)O ZINC000085599510 FF Annotated Mild CC1(C)Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4O)coc3c2C[C@H]1O ZINC000085601883 FF Annotated Anodyne CC(=O)O[C@H]1[C@@H]2C=C[C@H]3C[C@@H]4C[C@H]5CC(=O)[C@]4(C[C@H]3[C@@H]2C[C@H]1C)C(=O)O5 ZINC000085640284 FF Annotated Anodyne Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(C)O[C@@H]1C)C3 ZINC000085643190 FF Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@]1(C)O[C@@H]1C)C3 ZINC000085643193 FF Annotated Anodyne in-vitro biogenic C=C[C@]1(C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C(=O)O ZINC000085664023 FF Annotated Mild C=C[C@]1(C)C[C@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C(=O)O ZINC000085664024 FF Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)/C(C)=C/C)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C(=O)O ZINC000085664028 FF Annotated Mild C[C@H]1C[C@H](O)[C@@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000085692888 FF Annotated Anodyne in-vitro biogenic C=C1C(=O)O[C@@H]2C[C@@H](C)C3=CC(=O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 ZINC000085695485 FF Annotated Mild biogenic COc1cc2c(cc1OC)[C@@]13C[C@@H](OC)C=CC1=CC[N+]3([O-])C[C@@H]2OC ZINC000085730879 FF Annotated Bother COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC[N+]3([O-])C[C@@H]2OC ZINC000085730883 FF Annotated Bother CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@@H]3O)CC[C@]2(C)CCC1 ZINC000085758509 FF Annotated Anodyne in-man CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@@H]3O)CC[C@]2(C)CCC1 ZINC000085758511 FF Annotated Anodyne in-man CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)CC[C@]2(C)CCC1 ZINC000085758512 FF Annotated Anodyne in-man CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]3O)CC[C@]2(C)CCC1 ZINC000085758514 FF Annotated Anodyne in-man C/C=C1/CN2[C@H]3C[C@@]45C(=Nc6cc7c(c(OC)c64)OCO7)OC[C@H]3[C@H]1C[C@H]25 ZINC000085798194 FF Annotated Anodyne CO[C@H]1O[C@H]2c3cc4c(cc3CCN[C@@H]2c2ccc3c(c21)OCO3)OCO4 ZINC000085837379 FF Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H](O)CN(C)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000085838863 FF Annotated Anodyne CO[C@@H]1C2=C(C(=O)C(=O)C(C(C)C)=C2)[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O ZINC000085840214 FF Annotated Mild in-vitro biogenic CC(C)C1=C(O)C(=O)C2=C(C(=O)OC(=O)[C@H]3C(C)(C)CCC[C@]23C)C1=O ZINC000085844992 FF Annotated Reactive CC(C)C1=C(O)C(=O)C2=C(C(=O)OC(=O)[C@@H]3C(C)(C)CCC[C@]23C)C1=O ZINC000085844997 FF Annotated Reactive COC(=O)C1=C[C@]23C[C@H](C)CC[C@@H]2[C@]2(C)[C@H]1C(=O)[C@@H](C(C)C)C[C@@]2(O)O3 ZINC000085846431 FF Annotated Anodyne COC(=O)C1=C[C@]23C[C@@H](C)CC[C@@H]2[C@]2(C)[C@H]1C(=O)[C@@H](C(C)C)C[C@@]2(O)O3 ZINC000085846435 FF Annotated Anodyne COC(=O)C1=C[C@]23CC(C)=CC[C@@H]2[C@]2(C)[C@H]1C(=O)[C@@H](C(C)C)C[C@@]2(O)O3 ZINC000085846447 FF Annotated Anodyne CC[C@@H]1C[C@@H]2C[C@](O)(C(=O)OC)n3c4c(c5ccccc53)CCN(C1)[C@@H]42 ZINC000085901862 FF Annotated Anodyne C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1[C@@H]1C=C(C=O)C[C@H](O)OO1 ZINC000085909513 FF Annotated Reactive C[C@@H]1OC=C2C(=O)n3c4c(c5ccccc53)CCN(C)[C@@H]4C[C@H]2[C@@H]1C=O ZINC000085909549 FF Annotated Mild C[C@@]1(C(=O)O)COC(=O)C[C@@]2(C)[C@H]1CC[C@@]1(CO)c3cocc3CC[C@@H]12 ZINC000085912424 FF Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(CC(=O)[C@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1=O ZINC000085914118 FF Annotated Mild COC1=C(C(C)C)C(=O)C2=C(C1=O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C(=O)C2 ZINC000085914125 FF Annotated Mild COc1cc2c(cc1OC)[C@H]([C@H](O)/C=C\c1ccc(O)cc1)[C@H](O)CC2 ZINC000085924032 FF Annotated Anodyne in-man COc1cc2c(cc1OC)[C@@H]([C@H](O)/C=C\c1ccc(O)cc1)[C@H](O)CC2 ZINC000085924035 FF Annotated Anodyne in-man COc1cc2c(cc1OC)[C@H]([C@H](O)/C=C\c1ccc(O)cc1)[C@@H](O)CC2 ZINC000085924039 FF Annotated Anodyne in-man COc1cc2c(cc1OC)[C@@H]([C@H](O)/C=C\c1ccc(O)cc1)[C@@H](O)CC2 ZINC000085924044 FF Annotated Anodyne in-man C=C(CC[C@@H]1[C@@]2(C)CCC[C@](C)(C(=O)O)[C@@H]2CC[C@@]1(C)O)[C@H](O)CO ZINC000085933578 FF Annotated Mild C=C(CC[C@@H]1[C@@]2(C)CCC[C@](C)(C(=O)O)[C@@H]2CC[C@@]1(C)O)C(=O)CO ZINC000085933589 FF Annotated Mild CC(=O)c1ccc2c(c1Cn1ccc3cc4c(cc3c1=O)OCO4)OCO2 ZINC000085948227 FF Annotated Anodyne in-vitro biogenic COC(=O)[C@@]12CCCC=C1C[N+]1([O-])CCc3cc(OC)c(OC)cc3[C@@H]21 ZINC000085951070 FF Annotated Bother O=C1OCC2=C1[C@H](c1ccc3c(c1)OCO3)c1c(ccc3c1OCO3)C2 ZINC000085953910 FF Annotated Anodyne COC1=CC(=O)c2cc3c(c(-c4ccc5c(c4)OCO5)c2C1=O)COC3=O ZINC000085953950 FF Annotated Mild in-vitro biogenic CC[C@@H]1[C@@H]2N3CC[C@H]1C(C(=O)OC)=C1Nc4c(OC)cccc4[C@@]12CC3 ZINC000085975328 FF Annotated Anodyne CC[C@]12CCCN3C(=O)C[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 ZINC000085982290 FF Annotated Anodyne COc1cc(OC)c([C@H]2N(c3cc(C)on3)C(=O)[C@@H]3CCCN32)cc1OC ZINC000085988320 FF Annotated Anodyne COc1cc([C@H]2N(c3cc(C)on3)C(=O)[C@@H]3CCCN32)cc(OC)c1OC ZINC000085988322 FF Annotated Anodyne COC1=CC(=C/C=C/C=C2C=C(OC)C(=O)C(OC)=C2)C=C(OC)C1=O ZINC000085990397 FF Annotated Mild in-man COC(=O)[C@@H]1C[C@]23CCC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@H]34 ZINC000085991033 FF Annotated Bother COC(=O)N1c2ccccc2[C@@]23CCN4CC=C[C@]5(CC[C@]12CC5=O)[C@H]43 ZINC000085991074 FF Annotated Anodyne COc1c2c3c(c(OC)c1OC)-c1c(ccc4c1OCO4)C[C@@H]3NCC2 ZINC000085994931 FF Annotated Anodyne COc1cc(C(=O)C2=Cc3cc(O)c(OC)cc3C[C@H]2CO)ccc1O ZINC000085995776 FF Annotated Mild COc1cc2c(cc1O)c1c3c4c(cc(O)c(OC)c42)CCN3C(=O)C1=O ZINC000085996102 FF Annotated Bother COc1cc2c(cc1O)[C@H](CO)[C@@H](c1ccc(CCCO)c(OC)c1)O2 ZINC000085996130 FF Annotated Anodyne CC1(C)[C@@H]2CO[C@]3(C)C(=O)[C@@]1(C)C1=C(C(=O)C[C@@H](c4ccccc4)O1)[C@]23O ZINC000085997952 FF Annotated Mild O=C1OC[C@]23CC[C@H]4C(=O)O[C@@H]5O[C@H](c6ccoc6)C[C@@]54[C@H]2CCC=C13 ZINC000086002107 FF Annotated Anodyne CC[C@H]1C[C@@H]2CN3CC[C@]4(Nc5ccccc5C4=O)[C@](C(=O)OC)(C2)[C@@H]13 ZINC000086002208 FF Annotated Anodyne CCC1=C[C@@H]2CN3CC[C@]4(Nc5ccccc5C4=O)[C@@](C(=O)OC)(C2)[C@@H]13 ZINC000086002211 FF Annotated Anodyne C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@H](O)[C@](C)(O)CC/C=C(\C)CC[C@H]2O ZINC000086007233 FF Annotated Mild CO[C@@]12CC3=CC[C@H](O)[C@H](C)[C@@]3(C)[C@H](OC(=O)C(C)C)C1=C(C)C(=O)O2 ZINC000086010446 FF Annotated Anodyne COC(=O)C1=CNC=C([C@H](C)O)[C@H]1Cc1nccc2c1[nH]c1ccccc12 ZINC000086020425 FF Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CCC[C@@](C(C)=O)(C1)[C@H]23 ZINC000086052945 FF Annotated Anodyne C=CCn1c(SCC(=O)/C(C#N)=C(\C)N)nc2sc(CC)cc2c1=O ZINC000087711562 FF Annotated Reactive Cc1n(CC#CCOc2ccon2)cc[n+]1-c1ccc(Br)cc1 ZINC000087723310 FF Annotated Mild CO[C@H]1C=C2C=C3C(=C(C)C(=O)N3C)[C@@H](C)[C@]2(C)C[C@H]1OC(=O)N(C)C ZINC000087723509 FF Annotated Anodyne CO[C@@H]1C=C2C=C3C(=C(C)C(=O)N3C)[C@@H](C)[C@]2(C)C[C@H]1OC(=O)N(C)C ZINC000087723512 FF Annotated Anodyne CO[C@H]1C=C2C=C3C(=C(C)C(=O)N3C)[C@@H](C)[C@]2(C)C[C@@H]1OC(=O)N(C)C ZINC000087723514 FF Annotated Anodyne CO[C@@H]1C=C2C=C3C(=C(C)C(=O)N3C)[C@@H](C)[C@]2(C)C[C@@H]1OC(=O)N(C)C ZINC000087723516 FF Annotated Anodyne CCOc1ccc([N+](=O)[O-])c(C=O)c1OS(=O)(=O)c1ccccc1 ZINC000089157183 FF Annotated Bother CC(=O)Oc1cc2c(I)cn(C)c2cc1OC(C)=O ZINC000089203760 FF Annotated Anodyne Cc1nn(-c2ccccc2)c2cc[n+](C)c(I)c12 ZINC000089220420 FF Annotated Anodyne C#CCN(C)Cc1ccc(CC(=O)NC2CC(C)(C)N(O)C(C)(C)C2)cc1 ZINC000089470221 FF Annotated Mild Cc1ccc(N2CCN(C(=O)c3nc(-c4ccncc4)no3)CC2)c(C)c1 ZINC000009405753 FF Annotated Anodyne COc1ccc(N2CCC(N3C[C@H](C(C)C)[C@@H](NC(C)=O)C3)CC2)cc1 ZINC000091807066 FF Annotated Clean O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1cc2ccccc2o1 ZINC000009570951 FF Annotated Anodyne Cc1ccc(Cc2c(C)nc3c(C(=O)N4CCCC4)cnn3c2O)cc1 ZINC000009597695 FF Annotated Clean CCOc1nc2cnccc2n(CC(=O)Nc2c(C)cccc2CC)c1=O ZINC000009740147 FF Annotated Anodyne CC1CCN(C(=O)CCc2nnc3ccc(NCc4ccco4)nn23)CC1 ZINC000009744200 FF Annotated Anodyne CC1(C)[C@H]2CC[C@]3(CO3)[C@H](CC/C=C3/C(=O)OC[C@@H]3O)[C@@]2(C)CC[C@H]1O ZINC000095485935 FF Annotated Anodyne in-vitro biogenic COC(=O)/C(=C\C[C@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]12CO2)[C@H]1CO1 ZINC000095486147 FF Annotated Anodyne in-vitro biogenic COc1c(O)cccc1-c1coc2c(OC)c(OC)c(O)c(O)c2c1=O ZINC000095486255 FF Annotated Clean in-vitro biogenic COC(=O)[C@@]1(C)CC[C@H](O)[C@]2(C)[C@H]3Cc4occc4[C@H](C)[C@@H]3[C@@H](O)C[C@@H]12 ZINC000095486307 FF Annotated Anodyne in-vitro biogenic COC(=O)/C(=C\C[C@@H]1[C@@]2(CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]31C)CO2)[C@@H]1CO1 ZINC000095486370 FF Annotated Anodyne in-vitro biogenic O=C(CCc1n[nH]c2c1CCCC2)N1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2 ZINC000095497792 FF Annotated Anodyne CCOC(=O)C(=Cc1cc2c(o1)C(=O)c1ccccc1C2=O)C(=O)OCC ZINC000095553412 FF Annotated Clean COc1ccc2c(=O)c3cc(C(=O)N[C@H](CO)C(C)C)ccc3oc2c1 ZINC000095554430 FF Annotated Bother C/C=C(/C)C(=O)O[C@H]1C[C@@]2(C)O[C@H]2[C@@H](O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12 ZINC000095554453 FF Annotated Anodyne N#Cc1ccc(-c2cnc3nnc(Cc4c[nH]c5ncccc45)n3n2)cc1 ZINC000095554920 FF Annotated Mild CN(CCO)CCN1CCCc2cc(NC(=N)c3cccs3)ccc21 ZINC000095555316 FF Annotated Anodyne Cn1c(N)nc([C@H]2C[C@H]2c2ccc(-c3cccc(CCO)c3)cc2)cc1=O ZINC000095555664 FF Annotated Anodyne CC(=O)Nc1cc(-c2c(Nc3ccn(C)n3)nc3ccccn23)nc(C)n1 ZINC000095556217 FF Annotated Anodyne COc1ccc(/C=N/N(C)C(=O)c2c(C)nc3ccccn23)cc1OC ZINC000095556309 FF Annotated Reactive COc1ccc(-c2c(C(=O)N3CCC[C@H]3CO)cc3cccnn23)cc1 ZINC000095556744 FF Annotated Anodyne COc1ccc(C(=O)N(C)/N=C/c2c(C)nc3ccccn23)cc1OC ZINC000095557619 FF Annotated Reactive Cc1cc(OCCN2CCOCC2=O)nn1-c1ccc2ccccc2c1 ZINC000095557664 FF Annotated Anodyne O=C(O)CCc1ccccc1/N=N/c1ccc(C(=O)NCC(=O)O)cc1 ZINC000095557838 FF Annotated Clean O=C(/N=c1\[nH]cc(-c2ccc(Cl)cc2)[nH]1)C1=NNC[C@H]1c1ccccc1 ZINC000095558718 FF Annotated Anodyne O=C(/N=c1\[nH]cc(-c2ccc(Cl)cc2)[nH]1)C1=NNC[C@@H]1c1ccccc1 ZINC000095558719 FF Annotated Anodyne CCOC(=O)[C@H](C)Nc1nc(N)nc(OCC2CCCCC2)c1N=O ZINC000095558804 FF Annotated Anodyne C#CCOC(=O)C[C@H]1C(C#N)=C(N)Oc2ccc(-c3cccc(N)c3)cc21 ZINC000095559281 FF Annotated Reactive C#CCOC(=O)C[C@@H]1C(C#N)=C(N)Oc2ccc(-c3cccc(N)c3)cc21 ZINC000095559282 FF Annotated Reactive Nc1nc2c(c(OCC3CCCCC3)n1)NC(=O)[C@H](Cc1ccccc1)N2 ZINC000095560445 FF Annotated Anodyne CCOC(=O)CN1C(=O)CN(CC2CCCCC2)C(=O)c2ccccc21 ZINC000095560794 FF Annotated Anodyne O=C(O)CN1C(=O)CN(CC2CCCCC2)C(=O)c2cc(Cl)ccc21 ZINC000095563172 FF Annotated Anodyne COCCNC(=O)c1c(NC(=O)CC(C)(C)C)sc2c1CCOC2 ZINC000095563774 FF Annotated Anodyne CCCCN1C(=O)CN(CC2CCNCC2)C(=O)c2cc(Cl)ccc21 ZINC000095563922 FF Annotated Anodyne COc1cc2c(c(OC)c1OC)[C@@H](OC)O[C@@H]1CC=C3CCN(C)[C@H]3[C@H]21 ZINC000095564100 FF Annotated Anodyne NCCCCNCc1ccc(OC2=CC(=O)c3ccccc3C2=O)cc1 ZINC000095564943 FF Annotated Mild CN1C[C@@H](C(=O)NCc2c(Cl)cc(Cl)cc2Cl)N(C)C1=O ZINC000095565085 FF Annotated Anodyne Cc1nn(CC(C)(C)O)c(C)c1CC(=O)NCc1ccc(F)c(F)c1F ZINC000095565720 FF Annotated Anodyne COc1cc(-c2c(C(=O)c3ccccc3)[nH]c(N)c2C(N)=O)ccc1F ZINC000095566406 FF Annotated Anodyne O=C(NC1CCCC1)[C@H]1c2ccccc2OCC(=O)N1Cc1ccco1 ZINC000095566850 FF Annotated Anodyne O=C(NC1CCCC1)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccco1 ZINC000095566851 FF Annotated Anodyne Cc1cc(C)nc(NC(=S)N2CCN(c3ccc4nonc4c3)CC2)c1 ZINC000095567066 FF Annotated Anodyne Cc1cc(C)nc(NC(=S)N2CCN(c3ccc4c(c3)OCO4)CC2)c1 ZINC000095567335 FF Annotated Clean C/C=C/c1ccc([C@@H]2[C@H](CO)N(Cc3ccccn3)[C@H]2CNC(C)=O)cc1 ZINC000095567523 FF Annotated Anodyne Cc1cc(C)nc(NC(=S)N2CCN(c3ccc4nccn4c3)CC2)c1 ZINC000095567582 FF Annotated Anodyne Cc1ccnc(NC(=S)N2CCN(c3cccc(N(C)C)c3)CC2)c1 ZINC000095568252 FF Annotated Anodyne CCOC(=O)[C@]12Cc3cc(OC)ccc3[C@H]1N(C)C(=O)c1ccccc12 ZINC000095568721 FF Annotated Anodyne O=C(C1CC1)N1CC[C@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@H]21 ZINC000095568969 FF Annotated Anodyne CCOC(=O)C[C@@H]1O[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccc(C)cc1 ZINC000095569375 FF Annotated Anodyne CCOC(=O)C[C@@H]1O[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(C)cc1 ZINC000095569376 FF Annotated Anodyne Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(Cl)nn3)CC2)c1 ZINC000095569468 FF Annotated Anodyne Cc1cc(C)nc(NC(=S)N2CCN(c3nc(C)cnc3C)CC2)c1 ZINC000095570532 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(Cc3ccccn3)[C@@H]2CNC(C)=O)cc1 ZINC000095570721 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(Cc3ccccn3)[C@H]2CNC(C)=O)cc1 ZINC000095571224 FF Annotated Anodyne Cc1ccnc(NC(=S)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000095571337 FF Annotated Bother COc1cccc(-c2cc(C)c(N3CCN(c4ncccn4)CC3)nn2)c1 ZINC000095572049 FF Annotated Anodyne O=C(N/N=C/c1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2)no1 ZINC000095573214 FF Annotated Reactive O=C(CCc1nnc(-c2cc(O)c(O)c(O)c2)o1)c1nc2ccccc2[nH]1 ZINC000095573219 FF Annotated Clean N#Cc1ccc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)cc1 ZINC000095574931 FF Annotated Mild Fc1cc(-c2nc3c(c(N4CCOCC4)n2)COC3)c(F)cc1Cl ZINC000095574954 FF Annotated Anodyne CC(=O)n1nc(NC(=O)c2ccccc2)c2c1CN(C(=O)c1ccccc1)C2 ZINC000095575553 FF Annotated Anodyne O=C(NNC(=S)N=c1c2ccccc2[nH]c2ccccc12)c1ccncc1 ZINC000095576427 FF Annotated Reactive Cc1c2c(cn1C)CCc1cc(S(=O)(=O)c3ccccc3)c(=O)[nH]c1-2 ZINC000095576461 FF Annotated Anodyne Cc1cc(-c2ccc(F)cc2)nnc1N1CCN(c2ncccn2)CC1 ZINC000095577841 FF Annotated Anodyne CC[C@@H]1C[C@@]2(CC)O/C(=C\C(=O)OC)[C@@]3(CC)OO[C@H]([C@@H](C)O)[C@@H]1[C@H]32 ZINC000095578020 FF Annotated Reactive CCOC(=O)CNc1oc2c(C)ncc(CO)c2c1Nc1ccccn1 ZINC000095578523 FF Annotated Anodyne O=[n+]1nc(N[C@@H]2C[C@H]3CC[C@@H]2C3)n(O)c2ccc(Br)cc21 ZINC000095578869 FF Annotated Anodyne COc1ccc(-c2cc(C)c(N3CCN(c4ncccn4)CC3)nn2)cc1 ZINC000095580169 FF Annotated Anodyne O=C1O[C@@H](CO)[C@@H]2COc3cc(-c4ccc(C(F)(F)F)nc4)ccc3N12 ZINC000095580738 FF Annotated Anodyne O=C(N/N=C\c1cccc(Br)c1)Nc1nnc(S)s1 ZINC000095581224 FF Annotated Reactive O=C(O)c1cc(C#Cc2ccccc2)nc2c1cnn2Cc1ccncc1 ZINC000095583043 FF Annotated Mild Cc1cccc(-n2nnc(CCCCO)c2-c2ccc3nccnc3c2)n1 ZINC000095584918 FF Annotated Anodyne Cc1ccc(NC(=O)c2cc(O)c3cccc(NS(C)(=O)=O)c3n2)cc1 ZINC000095586032 FF Annotated Anodyne CCCC[C@@H](C)NC(=O)c1cc(O)c2cccc(NS(C)(=O)=O)c2n1 ZINC000095586124 FF Annotated Anodyne COc1ccc(/C(=N/NC(=S)N(C)C)c2cccc(C)n2)cc1OC ZINC000095586356 FF Annotated Mild CC(C)=CC[C@@]12OC[C@@H]3C[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O ZINC000095586999 FF Annotated Mild CCCCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O ZINC000095587412 FF Annotated Mild CCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2ccc(F)cc2)ON1C ZINC000095587852 FF Annotated Anodyne Cc1ccc(OCCn2ccc(=O)n(Cc3ccccc3C)c2=O)cc1 ZINC000095587871 FF Annotated Anodyne C=CCNC(=S)N/N=C(/c1ccc(OC)c(OC)c1)c1cccc(C)n1 ZINC000095587876 FF Annotated Mild O=C(CCc1nnc2sc(CCCl)nn12)c1nc2ccccc2[nH]1 ZINC000095588721 FF Annotated Reactive CCCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O ZINC000095588923 FF Annotated Mild O=C(O)C1=CC(=O)[C@@H]2C[C@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 ZINC000095589461 FF Annotated Mild COc1cccc2c1C(=O)c1c(OC)cc(C[n+]3ccccc3)cc1C2=O ZINC000095589659 FF Annotated Clean CCCC[C@H](C)NC(=O)c1cc(O)c2cccc(NS(C)(=O)=O)c2n1 ZINC000095590076 FF Annotated Anodyne CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3cccnc3)c2C)C1=O ZINC000095590204 FF Annotated Mild CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccncc3)c2C)C1=O ZINC000095591569 FF Annotated Mild COc1ccc(C[C@H](N)c2nc(=O)c3cc(-c4cn[nH]c4)ccc3[nH]2)cc1 ZINC000095591812 FF Annotated Anodyne COC(=O)N[C@H](C(=O)N[C@H](C)c1nc2ccc(F)cc2s1)C(C)C ZINC000095592009 FF Annotated Anodyne COc1cc2c(c(OC)c1OC)C(=O)[C@@H]1[C@H]2Nc2ccccc2[C@@H]1C(=O)O ZINC000095592278 FF Annotated Anodyne CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2)ON1C ZINC000095592670 FF Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(CN3CCSCC3)nc21 ZINC000095592726 FF Annotated Clean C=CCN1C=C(C(=O)OCC)C(c2ccc(O)cc2)C(C(=O)OCC)=C1 ZINC000095593766 FF Annotated Mild CCn1c(=O)c2c(cc(OCc3ccc(Cl)cc3)n2C)n(CC)c1=O ZINC000095594537 FF Annotated Anodyne Cn1c(=O)c2c(cc(/C=C/c3cccc(C(F)(F)F)c3)n2C)n(C)c1=O ZINC000095595073 FF Annotated Anodyne COc1cc([C@H]2SCc3c(CO)c(CO)c(C)n32)cc(OC)c1OC ZINC000095595407 FF Annotated Anodyne Cn1c(=O)c2c(cc(/C=C/c3ccc(Br)cc3)n2C)n(C)c1=O ZINC000095596672 FF Annotated Anodyne CCOC(=O)C1=Cc2cc(O)c(O)cc2[C@@H](c2ccc(O)cc2)[C@@H]1C(=O)O ZINC000095597779 FF Annotated Clean CNc1nc(N2CCN(C)CC2)c2cc(-c3ccc(F)cc3)n(C)c2n1 ZINC000095597993 FF Annotated Anodyne CCn1c(=O)c2c(cc(C#Cc3ccc(Cl)cc3)n2C)n(CC)c1=O ZINC000095598354 FF Annotated Mild COC(=O)[C@]1(Sc2ccc(OC)cc2)CC(=O)N[C@@H]1c1ccccc1 ZINC000095598902 FF Annotated Anodyne CC(=O)C[C@@H]1OC[C@H](Cc2ccccc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000095599055 FF Annotated Anodyne CC(C)C[C@H]1COCn2nncc2CC[C@@H](Cc2ccccc2)C(=O)N1 ZINC000095599091 FF Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000095600051 FF Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000095600052 FF Annotated Anodyne COCCN1C(=O)COc2ccccc2[C@H]1C(=O)Nc1c(C)cccc1C ZINC000095600915 FF Annotated Anodyne COCCN1C(=O)COc2ccccc2[C@@H]1C(=O)Nc1c(C)cccc1C ZINC000095600916 FF Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@]1(C)CCC(=O)N1CC(F)(F)F ZINC000095600930 FF Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@]1(C)CCC(=O)N1CC(F)(F)F ZINC000095600931 FF Annotated Anodyne O=C(NC1CCCC1)[C@H]1c2ccccc2OCC(=O)N1Cc1ccccn1 ZINC000095601269 FF Annotated Anodyne O=C(NC1CCCC1)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccccn1 ZINC000095601270 FF Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@]2(CC(C)(C)O3)N=C(N)N(C)C2=O)c1 ZINC000095601887 FF Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@]2(CC(C)(C)O3)N=C(N)N(C)C2=O)c1 ZINC000095601888 FF Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCSc1nnc(-c2ccnc(Cl)c2)o1 ZINC000095602138 FF Annotated Bother O=C1CCCC2=C1[C@H](c1cc(O)ccc1Br)NC(=S)N2 ZINC000095602456 FF Annotated Mild CC(C)n1nnnc1[C@@H]1c2ccccc2C(=O)N1CCOc1ccccc1 ZINC000095602668 FF Annotated Anodyne CC(C)n1nnnc1[C@H]1c2ccccc2C(=O)N1CCOc1ccccc1 ZINC000095602669 FF Annotated Anodyne CC(C)(C)[C@@H](C(=O)NC1CCCC1)N1CCN(c2ncccc2C#N)CC1 ZINC000095602738 FF Annotated Mild CC(C)(C)[C@H](C(=O)NC1CCCC1)N1CCN(c2ncccc2C#N)CC1 ZINC000095602739 FF Annotated Mild COc1ccccc1-c1ccc([C@H]2[C@H](C#N)N(C(=O)C3CC3)[C@H]2CO)cc1 ZINC000095603076 FF Annotated Mild C[C@]1(C(=O)NCc2ccccc2)CSCC(=O)N1Cc1cccc(F)c1 ZINC000095603080 FF Annotated Anodyne C[C@@]1(C(=O)NCc2ccccc2)CSCC(=O)N1Cc1cccc(F)c1 ZINC000095603081 FF Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@]1(C)CCC(=O)N1Cc1ccco1 ZINC000095603352 FF Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@]1(C)CCC(=O)N1Cc1ccco1 ZINC000095603353 FF Annotated Anodyne CC(C)N(Cc1nc(-c2cccnc2)no1)C(=O)COc1ccc(O)cc1 ZINC000095603994 FF Annotated Anodyne C[C@]1(C(=O)NCc2ccccc2)CSCC(=O)N1Cc1cccs1 ZINC000095604310 FF Annotated Anodyne C[C@@]1(C(=O)NCc2ccccc2)CSCC(=O)N1Cc1cccs1 ZINC000095604311 FF Annotated Anodyne CCCNC(=O)N1[C@H](C#N)[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]1CO ZINC000095604869 FF Annotated Mild CC(C)(C)NC(=O)c1c[nH]c2ncc(-c3n[nH]c4c(CO)cccc34)nc12 ZINC000095605340 FF Annotated Anodyne CC(=O)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3O)o2)CC1 ZINC000095605495 FF Annotated Anodyne CCn1c(C(=O)OCCc2ccc(O)cc2)cc(=O)c2ccc(C)nc21 ZINC000095605614 FF Annotated Anodyne CC#Cc1cncc(-c2ccc3c(c2)[C@]2(CC(C)(C)O3)N=C(N)N(C)C2=O)c1 ZINC000095605786 FF Annotated Mild CC#Cc1cncc(-c2ccc3c(c2)[C@@]2(CC(C)(C)O3)N=C(N)N(C)C2=O)c1 ZINC000095605787 FF Annotated Mild CCNC(=O)[C@@H]1C[C@H](N)CN1Cc1cc(C)n(-c2ccccc2Cl)c1C ZINC000095614989 FF Annotated Clean CCNC(=O)[C@H]1C[C@H](N)CN1Cc1cc(C)n(-c2ccccc2Cl)c1C ZINC000095614990 FF Annotated Clean CCNC(=O)[C@H]1C[C@@H](N)CN1Cc1cc(C)n(-c2ccccc2Cl)c1C ZINC000095614991 FF Annotated Clean C[C@@]12C(=O)c3cccc(O)c3C(=O)[C@@H]1CC1=C2C(=O)c2c(O)cccc2C1=O ZINC000095615504 FF Annotated Mild C[C@]12C(=O)c3cccc(O)c3C(=O)[C@@H]1CC1=C2C(=O)c2c(O)cccc2C1=O ZINC000095615505 FF Annotated Mild Cc1cc(OC(=O)CCC(=O)O)c2ccccc2c1OC(=O)CCC(=O)O ZINC000095618402 FF Annotated Anodyne in-man C[C@@H]1CN(C)C(=O)c2cccc(N)c2O[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000095660934 FF Annotated Anodyne C[C@@H]1CN(C)C(=O)c2cc(N)ccc2O[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000095660948 FF Annotated Anodyne C[C@H]1CN(C)C(=O)c2cccc(N)c2O[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000095661012 FF Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C3=CCCCC3)cc1)[C@@H]2CO ZINC000095661142 FF Annotated Anodyne C[C@H]1CN(C)C(=O)c2cc(N)ccc2O[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000095661246 FF Annotated Anodyne C[C@@H]1CN(C)C(=O)c2cccc(N)c2O[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000095661477 FF Annotated Anodyne C[C@@H]1CN(C)C(=O)Cc2ccccc2O[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000095661634 FF Annotated Anodyne C[C@H]1CN(C)C(=O)Cc2ccccc2O[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000095661852 FF Annotated Anodyne C[C@@H]1CN(C)C(=O)Cc2ccccc2O[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000095661994 FF Annotated Anodyne C[C@H]1CN(C)C(=O)c2cccc(N)c2O[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000095662068 FF Annotated Anodyne C[C@@H]1CN(C)C(=O)c2cc(N)ccc2O[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000095662204 FF Annotated Anodyne CCN(C[C@H]1N[C@H](CO)[C@H]1c1ccc(-c2cccc(C#N)c2)cc1)C(C)=O ZINC000095663096 FF Annotated Mild C[C@H]1CN(C)C(=O)c2cc(N)ccc2O[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000095663524 FF Annotated Anodyne C[C@H]1CN(C)C(=O)Cc2ccccc2O[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000095663665 FF Annotated Anodyne CCCC#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1Cc1cncnc1)[C@@H](CO)N2 ZINC000095664491 FF Annotated Mild CCC(=O)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N(C)[C@@H]2CO ZINC000095665590 FF Annotated Anodyne COc1ccccc1-c1ccccc1[C@H]1[C@@H](C#N)N(C(=O)C2CC2)[C@H]1CO ZINC000095666875 FF Annotated Mild COc1ccccc1-c1ccccc1[C@@H]1[C@@H](C#N)N(C(=O)C2CC2)[C@H]1CO ZINC000095666989 FF Annotated Mild COc1ccccc1-c1ccccc1[C@H]1[C@H](C#N)N(C(=O)C2CC2)[C@H]1CO ZINC000095666993 FF Annotated Mild COc1ccccc1-c1ccccc1[C@H]1[C@@H](C#N)N(C(=O)C2CC2)[C@@H]1CO ZINC000095666997 FF Annotated Mild COc1ccccc1-c1ccccc1[C@@H]1[C@H](C#N)N(C(=O)C2CC2)[C@H]1CO ZINC000095667002 FF Annotated Mild COc1ccccc1-c1ccccc1[C@H]1[C@@H](CO)N(C(=O)C2CC2)[C@H]1C#N ZINC000095667006 FF Annotated Mild COc1ccccc1-c1ccccc1[C@@H]1[C@@H](CO)N(C(=O)C2CC2)[C@H]1C#N ZINC000095667009 FF Annotated Mild COc1ccccc1-c1ccccc1[C@@H]1[C@@H](C#N)N(C(=O)C2CC2)[C@@H]1CO ZINC000095667086 FF Annotated Mild CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 ZINC000095667174 FF Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 ZINC000095667178 FF Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCCC1 ZINC000095667183 FF Annotated Anodyne CCC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)CC ZINC000095667618 FF Annotated Anodyne CCC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)CC ZINC000095667820 FF Annotated Anodyne CCC(=O)N1[C@H](CN(C)C(C)=O)[C@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CO ZINC000095667925 FF Annotated Anodyne CC(=O)N1CC[C@@H]2[C@H]1c1cc(C#Cc3ccccc3F)ccc1N[C@H]2CO ZINC000095668391 FF Annotated Mild C=C1C[C@]23CC(=O)[C@H]4[C@]56CCC[C@@]4(C)[C@H]4OCCN4[C@@H]5[C@H]2C[C@H]1C(=O)[C@H]36 ZINC000095671348 FF Annotated Mild in-vitro CC1=C[C@]23CC(=O)[C@@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@]36O)N1CCO[C@@H]15 ZINC000095671349 FF Annotated Anodyne in-vitro COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2)c(OC)c1OC ZINC000095752266 FF Annotated Anodyne COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2)c(OC)c1OC ZINC000095752269 FF Annotated Anodyne COc1ccc([C@H]2CNCCN2C(=O)OC(C)(C)C)c(OC)c1OC ZINC000095752272 FF Annotated Anodyne COc1ccc([C@@H]2CNCCN2C(=O)OC(C)(C)C)c(OC)c1OC ZINC000095752274 FF Annotated Anodyne COc1cc(OC)c([C@@H]2CN(C(=O)OC(C)(C)C)CCN2)cc1OC ZINC000095752277 FF Annotated Anodyne COc1cc(OC)c([C@H]2CN(C(=O)OC(C)(C)C)CCN2)cc1OC ZINC000095752280 FF Annotated Anodyne COc1cc(OC)c([C@H]2CNCCN2C(=O)OC(C)(C)C)cc1OC ZINC000095752283 FF Annotated Anodyne COc1cc(OC)c([C@@H]2CNCCN2C(=O)OC(C)(C)C)cc1OC ZINC000095752284 FF Annotated Anodyne COc1cc([C@H]2CNCCN2C(=O)OC(C)(C)C)cc(OC)c1OC ZINC000095752286 FF Annotated Anodyne COc1cc([C@@H]2CNCCN2C(=O)OC(C)(C)C)cc(OC)c1OC ZINC000095752289 FF Annotated Anodyne CC(C)(C)OC(=O)NCc1cc(C=O)cc(I)n1 ZINC000095766621 FF Annotated Anodyne CC(C)(C)OC(=O)NCc1cc(I)cc(C=O)n1 ZINC000095766783 FF Annotated Anodyne CC(C)(C)OC(=O)NCc1cc(I)nc(C=O)c1 ZINC000095766945 FF Annotated Anodyne Cc1ccc(S(=O)(=O)c2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)cc1 ZINC000095771607 FF Annotated Bother IC1=NN=C2CC=CC(I)=C12 ZINC000095774994 FF Annotated Anodyne CN1C(=O)N[C@@H]2c3ccccc3O[C@@]1(C)[C@@H]2COC(=O)c1ccccc1 ZINC000095783860 FF Annotated Anodyne OC[C@@H]1[C@H]2c3ccccc3O[C@]1(CO)N=C1SCc3ccccc3CN12 ZINC000095784808 FF Annotated Anodyne CC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1cccc(Cl)c1 ZINC000095794067 FF Annotated Anodyne CC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2Cc1cccc(Cl)c1 ZINC000095794069 FF Annotated Anodyne CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1cccc(Cl)c1 ZINC000095794133 FF Annotated Anodyne OC[C@@H]1[C@H](c2ccccc2)C2(CN(CC3CC3)C2)N1Cc1nccs1 ZINC000095794209 FF Annotated Anodyne OC[C@H]1[C@@H](c2ccccc2)C2(CN(CC3CC3)C2)N1Cc1nccs1 ZINC000095794211 FF Annotated Anodyne CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1cccc(Cl)c1 ZINC000095794221 FF Annotated Anodyne O=C(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CC1 ZINC000095794701 FF Annotated Anodyne O=C(c1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2CC1CC1 ZINC000095794703 FF Annotated Anodyne O=C(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CC1 ZINC000095794705 FF Annotated Anodyne O=C(c1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CC1 ZINC000095794708 FF Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1F ZINC000095794712 FF Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccc1F ZINC000095794714 FF Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1F ZINC000095794715 FF Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(CC1CCCC1)CC31CN(C)C1 ZINC000095796305 FF Annotated Anodyne CCS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(C3=CCCCC3)cc2)[C@H]1CO ZINC000095796839 FF Annotated Mild O=C(C1CCC1)N1CC[C@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@H]21 ZINC000095797289 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CN(Cc4ccccc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095798030 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N3C(=O)CN(Cc4ccccc4)C[C@@H]23)cc1 ZINC000095798031 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(Cc4ccccc4)C[C@@H]23)cc1 ZINC000095798039 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(Cc4ccccc4)C[C@H]23)cc1 ZINC000095798040 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(Cc4ccccc4)C[C@@H]23)cc1 ZINC000095798041 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N3C(=O)CN(Cc4ccccc4)C[C@@H]23)cc1 ZINC000095798042 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(Cc4ccccc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095798043 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(Cc4ccccc4)C[C@H]23)cc1 ZINC000095798044 FF Annotated Anodyne O=C(C1CCC1)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N[C@H]2CO ZINC000095798358 FF Annotated Anodyne CC(C)(C)OC(=O)NC1(/C=N/NC(=O)CCCCCC(=O)O)CCCC1 ZINC000095808460 FF Annotated Reactive O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(CO)o1 ZINC000095808534 FF Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/c1coc2ccccc2c1=O ZINC000095808694 FF Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/c1ccncc1Br ZINC000095808710 FF Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)CCCCCC(=O)O ZINC000095809014 FF Annotated Reactive CC1(C)COC(CCC/C=N/NC(=O)CCCCCCC(=O)NO)OC1 ZINC000095809357 FF Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)CCCCCCC(=O)O ZINC000095809741 FF Annotated Reactive COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(CC2CC2)CC1 ZINC000095865934 FF Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(CC2CC2)CC1 ZINC000095865935 FF Annotated Anodyne O=C(C1CCC1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@@H]21 ZINC000095866439 FF Annotated Anodyne O=C(C1CCC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(Br)cc3[C@@H]21 ZINC000095866725 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CC3)[C@@H]2CNC(=O)NC(C)C)cc1 ZINC000095867922 FF Annotated Anodyne O=C(NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C1CCCC1 ZINC000095867941 FF Annotated Anodyne N#C[C@@H]1[C@@H](c2ccccc2C2=CCCC2)[C@H](CO)N1C(=O)C1CCOCC1 ZINC000095867961 FF Annotated Mild N#C[C@H]1[C@H](c2ccccc2C2=CCCC2)[C@@H](CO)N1C(=O)C1CCOCC1 ZINC000095867972 FF Annotated Mild N#C[C@@H]1[C@H](c2ccccc2C2=CCCC2)[C@@H](CO)N1C(=O)C1CCOCC1 ZINC000095867974 FF Annotated Mild N#C[C@H]1[C@@H](c2ccccc2C2=CCCC2)[C@H](CO)N1C(=O)C1CCOCC1 ZINC000095867975 FF Annotated Mild N#C[C@@H]1[C@H](c2ccccc2C2=CCCC2)[C@H](CO)N1C(=O)C1CCOCC1 ZINC000095867977 FF Annotated Mild N#C[C@H]1[C@@H](c2ccccc2C2=CCCC2)[C@@H](CO)N1C(=O)C1CCOCC1 ZINC000095867981 FF Annotated Mild O=C(C1=C[C@@H](C2CC2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCCC1 ZINC000095868003 FF Annotated Anodyne O=C(NC1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CC1 ZINC000095869345 FF Annotated Anodyne O=C(NC1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CC1 ZINC000095869412 FF Annotated Anodyne CC(C)NC(=O)N1[C@H](C#N)[C@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]1CO ZINC000095869443 FF Annotated Mild O=C(CC1CC1)NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccc(F)cc2)cc1 ZINC000095871697 FF Annotated Anodyne CCS(=O)(=O)N1[C@H](CO)[C@@H](c2ccccc2C2=CCCCC2)[C@@H]1C#N ZINC000095871740 FF Annotated Mild CCC(=O)N(C)C[C@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccc(C#N)c2)cc1 ZINC000095871807 FF Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](CN(C)C(=O)CC)N(C(=O)C3CC3)[C@H]2CO)cc1 ZINC000095871878 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CN(C)C(=O)CC)cc1 ZINC000095872063 FF Annotated Anodyne Cc1ccc(N2C(=S)N(S(C)(=O)=O)C(=O)C23CCCCC3)cc1 ZINC000095872956 FF Annotated Anodyne CC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccncc3)cc1)[C@@H]2CO ZINC000095874730 FF Annotated Anodyne CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095874731 FF Annotated Anodyne CC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095874732 FF Annotated Anodyne CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095874733 FF Annotated Anodyne CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 ZINC000095874734 FF Annotated Anodyne CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 ZINC000095874735 FF Annotated Anodyne CC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095874736 FF Annotated Anodyne CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)C2CC2)[C@@H]1CO ZINC000095877472 FF Annotated Anodyne CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)C2CC2)[C@H]1CO ZINC000095877473 FF Annotated Anodyne CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2C(=O)C2CC2)[C@H]1CO ZINC000095877474 FF Annotated Anodyne CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2C(=O)C2CC2)[C@@H]1CO ZINC000095877475 FF Annotated Anodyne O=C(C1CC1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@@H]21 ZINC000095877480 FF Annotated Anodyne O=C(C1CC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(Br)cc3[C@@H]21 ZINC000095877481 FF Annotated Anodyne O=C(C1CC1)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N[C@H]2CO ZINC000095877482 FF Annotated Anodyne COCC(=O)N1CC[C@H]2[C@@H]1c1cc(-c3ccccc3)ccc1N(C)[C@H]2CO ZINC000095877910 FF Annotated Anodyne COCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N(C)[C@@H]2CO ZINC000095877911 FF Annotated Anodyne COCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N(C)[C@H]2CO ZINC000095877913 FF Annotated Anodyne COCC(=O)N1CC[C@@H]2[C@@H](CO)N(C)c3ccc(-c4ccccc4)cc3[C@@H]21 ZINC000095877915 FF Annotated Anodyne CC(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccccc4F)cc3[C@@H]21 ZINC000095877944 FF Annotated Mild CC(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4F)cc3[C@@H]21 ZINC000095877945 FF Annotated Mild CCC(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4cccnc4)cc3[C@H]21 ZINC000095877947 FF Annotated Mild CCC(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4cccnc4)cc3[C@@H]21 ZINC000095877949 FF Annotated Mild CCC(=O)N1CC[C@@H]2[C@H]1c1cc(C#Cc3cccnc3)ccc1N[C@H]2CO ZINC000095877950 FF Annotated Mild CCC(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4cccnc4)cc3[C@@H]21 ZINC000095877951 FF Annotated Mild Cc1nc2ccccc2c(=O)n1/N=C1\SCC(=O)N1c1ccccc1 ZINC000095882318 FF Annotated Mild CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2CC1CCCC1 ZINC000095893455 FF Annotated Anodyne CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2CC1CCCC1 ZINC000095893456 FF Annotated Anodyne CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2CC1CCCC1 ZINC000095893457 FF Annotated Anodyne CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2CC1CCCC1 ZINC000095893458 FF Annotated Anodyne CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1 ZINC000095893689 FF Annotated Anodyne CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1 ZINC000095893690 FF Annotated Anodyne CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1 ZINC000095893691 FF Annotated Anodyne CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1 ZINC000095893692 FF Annotated Anodyne CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1 ZINC000095893892 FF Annotated Anodyne CN1[C@@H]2CN(C(=O)Nc3cc(F)ccc3F)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893904 FF Annotated Anodyne CN1[C@H](CO)[C@H]2c3ccccc3N(C(=O)Nc3cc(F)ccc3F)C[C@H]21 ZINC000095893905 FF Annotated Anodyne CN1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3cc(F)ccc3F)C[C@@H]21 ZINC000095893906 FF Annotated Anodyne CN1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3cc(F)ccc3F)C[C@@H]21 ZINC000095893907 FF Annotated Anodyne CC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccc(F)cc1 ZINC000095893930 FF Annotated Anodyne CCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1F ZINC000095894014 FF Annotated Anodyne CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1F ZINC000095894015 FF Annotated Anodyne CCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1F ZINC000095894016 FF Annotated Anodyne CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1F ZINC000095894017 FF Annotated Anodyne CC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccc(F)cc1 ZINC000095894050 FF Annotated Anodyne CC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccc(F)cc1 ZINC000095894051 FF Annotated Anodyne CC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccc(F)cc1 ZINC000095894052 FF Annotated Anodyne CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1 ZINC000095894126 FF Annotated Anodyne CCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1 ZINC000095894127 FF Annotated Anodyne CCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1 ZINC000095894128 FF Annotated Anodyne CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1OC ZINC000095894188 FF Annotated Anodyne CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccc(F)cc1 ZINC000095894319 FF Annotated Anodyne CCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccc(F)cc1 ZINC000095894320 FF Annotated Anodyne CCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccc(F)cc1 ZINC000095894321 FF Annotated Anodyne CCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1OC ZINC000095894328 FF Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccccc3F)C[C@@H]21 ZINC000095894355 FF Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)c3ccccc3F)C[C@H]21 ZINC000095894356 FF Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccccc3F)C[C@@H]21 ZINC000095894357 FF Annotated Anodyne CCC(=O)N1[C@@H]2CN(C(=O)c3ccccc3F)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095894358 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)[C@@H]2CNC(=O)CC2CC2)cc1 ZINC000095894812 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CC)[C@@H]2CNC(=O)CC2CC2)cc1 ZINC000095894813 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CC)[C@H]2CNC(=O)CC2CC2)cc1 ZINC000095894814 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N(C(=O)CC)[C@H]2CNC(=O)CC2CC2)cc1 ZINC000095894815 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)CC)[C@H]2CNC(=O)CC2CC2)cc1 ZINC000095894816 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)[C@H]2CNC(=O)CC2CC2)cc1 ZINC000095894817 FF Annotated Anodyne COCC(=O)N(C[C@@H]1N[C@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1)C(C)C ZINC000095894845 FF Annotated Anodyne COCC(=O)N(C[C@H]1N[C@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1)C(C)C ZINC000095894846 FF Annotated Anodyne COCC(=O)N(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1)C(C)C ZINC000095894847 FF Annotated Anodyne COCC(=O)N(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C(C)C ZINC000095894848 FF Annotated Anodyne COCC(=O)N(C[C@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C(C)C ZINC000095894849 FF Annotated Anodyne COCC(=O)N(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)C(C)C ZINC000095894850 FF Annotated Anodyne CCN(C[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(C)=O)C(C)=O ZINC000095894886 FF Annotated Anodyne CCN(C[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(C)=O)C(C)=O ZINC000095894887 FF Annotated Anodyne CCN(C[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(C)=O)C(C)=O ZINC000095894888 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(CC(C)C)C(C)=O)cc1 ZINC000095894994 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(CC(C)C)C(C)=O)cc1 ZINC000095894995 FF Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CN(C)C(C)=O ZINC000095894996 FF Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CN(C)C(C)=O ZINC000095894997 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CNC(C)=O)N(Cc3ccccn3)[C@H]2CO)cc1 ZINC000095894999 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CNC(C)=O)N(Cc3ccccn3)[C@H]2CO)cc1 ZINC000095895000 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CN(C)C(=O)C3CC3)N(C(=O)CC)[C@H]2CO)cc1 ZINC000095895014 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CN(C)C(=O)C3CC3)N(C(=O)CC)[C@H]2CO)cc1 ZINC000095895015 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CN(C)C(=O)CC)N(C(=O)C3CC3)[C@H]2CO)cc1 ZINC000095895092 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CN(C)C(=O)CC)cc1 ZINC000095895093 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(Cc3ccccn3)[C@H]2CNC(C)=O)cc1 ZINC000095895114 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(CC)C(=O)CC)cc1 ZINC000095895126 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CN(CC)C(=O)CC)N(C(C)=O)[C@H]2CO)cc1 ZINC000095895127 FF Annotated Anodyne O=C(NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccccc2)cc1)C1CCC1 ZINC000095895143 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CNC(=O)CC3CC3)N(C(=O)CC)[C@H]2CO)cc1 ZINC000095895148 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CNC(=O)CC3CC3)N(C(=O)CC)[C@H]2CO)cc1 ZINC000095895149 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N[C@H]2CN(CC)C(=O)c2ccccn2)cc1 ZINC000095895164 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N[C@H]2CN(CC)C(=O)c2ccccn2)cc1 ZINC000095895165 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N[C@@H]2CN(CC)C(=O)c2ccccn2)cc1 ZINC000095895166 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N[C@@H]2CN(CC)C(=O)c2ccccn2)cc1 ZINC000095895167 FF Annotated Anodyne CCC(=O)N1[C@H](CN(C)C(C)=O)[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CO ZINC000095895209 FF Annotated Anodyne CN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1CC1CC1)C(=O)c1ccccc1 ZINC000095895333 FF Annotated Anodyne CN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1CC1CC1)C(=O)c1ccccc1 ZINC000095895334 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CN(CC(C)C)C(C)=O)N(C(C)=O)[C@H]2CO)cc1 ZINC000095895368 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CN(CCC)C(C)=O)N(C(C)=O)[C@H]2CO)cc1 ZINC000095895482 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(CCC)C(C)=O)cc1 ZINC000095895483 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CN(CCC)C(C)=O)cc1 ZINC000095895484 FF Annotated Anodyne CCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cccc(C#N)c2)cc1)C(C)=O ZINC000095895489 FF Annotated Mild CCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccc(C#N)c2)cc1)C(C)=O ZINC000095895490 FF Annotated Mild C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CC)[C@H]2CN(C)C(=O)C2CC2)cc1 ZINC000095895498 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)[C@H]2CN(C)C(=O)C2CC2)cc1 ZINC000095895499 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CN(CC)C(C)=O)cc1 ZINC000095895500 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CN(CC)C(C)=O)N(C(=O)C3CC3)[C@H]2CO)cc1 ZINC000095895501 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)C3CC3)[C@H]2CN(CC)C(C)=O)cc1 ZINC000095895502 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@@H]2CN(CC)C(C)=O)cc1 ZINC000095895503 FF Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N[C@@H]2CNC(=O)c2ccccc2F)cc1 ZINC000095895558 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N[C@H]2CNC(=O)c2ccccc2F)cc1 ZINC000095895559 FF Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CN(CC)C(=O)c3cccnc3)N[C@H]2CO)cc1 ZINC000095895659 FF Annotated Anodyne CC(C)NC(=O)N1[C@@H](C#N)[C@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]1CO ZINC000095896001 FF Annotated Mild CC(C)NC(=O)N1[C@H](C#N)[C@H](c2ccc(C#CC3CCCC3)cc2)[C@H]1CO ZINC000095896002 FF Annotated Mild CC(C)NC(=O)N1[C@H](CO)[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]1C#N ZINC000095896003 FF Annotated Mild CC(C)NC(=O)N1[C@@H](C#N)[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]1CO ZINC000095896004 FF Annotated Mild CC(C)NC(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]1CO ZINC000095896005 FF Annotated Mild CC(C)NC(=O)N1[C@H](CO)[C@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]1C#N ZINC000095896006 FF Annotated Mild CC(C)NC(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@H]1CO ZINC000095896007 FF Annotated Mild N#C[C@@H]1[C@@H](c2ccc(-c3cncnc3)cc2)[C@H](CO)N1C(=O)C1CCCC1 ZINC000095896080 FF Annotated Mild N#C[C@@H]1[C@H](c2ccc(C#Cc3ccc(F)cc3)cc2)[C@@H](CO)N1C(=O)C1CC1 ZINC000095896251 FF Annotated Mild N#C[C@H]1[C@H](c2ccc(C#Cc3ccc(F)cc3)cc2)[C@H](CO)N1C(=O)C1CC1 ZINC000095896252 FF Annotated Mild N#C[C@H]1[C@@H](c2ccc(C#Cc3ccc(F)cc3)cc2)[C@H](CO)N1C(=O)C1CC1 ZINC000095896253 FF Annotated Mild N#C[C@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H](CO)N1C(=O)C1CC1 ZINC000095897407 FF Annotated Mild N#C[C@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H](CO)N1C(=O)C1CC1 ZINC000095897408 FF Annotated Mild N#C[C@@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H](CO)N1C(=O)C1CC1 ZINC000095897409 FF Annotated Mild N#C[C@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H](CO)N1C(=O)C1CC1 ZINC000095897410 FF Annotated Mild N#C[C@@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H](CO)N1C(=O)C1CC1 ZINC000095897411 FF Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H](CO)N1C(=O)C1CC1 ZINC000095897412 FF Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H](CO)N1C(=O)C1CC1 ZINC000095897413 FF Annotated Mild N#C[C@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H](CO)N1C(=O)C1CC1 ZINC000095897414 FF Annotated Mild COc1ccccc1-c1ccc([C@H]2[C@@H](C#N)N(C(=O)C3CC3)[C@@H]2CO)cc1 ZINC000095897415 FF Annotated Mild COc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2C#N)cc1 ZINC000095897416 FF Annotated Mild COc1ccccc1-c1ccc([C@@H]2[C@@H](C#N)N(C(=O)C3CC3)[C@H]2CO)cc1 ZINC000095897417 FF Annotated Mild COc1ccccc1-c1ccc([C@H]2[C@@H](C#N)N(C(=O)C3CC3)[C@H]2CO)cc1 ZINC000095897418 FF Annotated Mild COc1ccccc1-c1ccc([C@@H]2[C@H](C#N)N(C(=O)C3CC3)[C@H]2CO)cc1 ZINC000095897419 FF Annotated Mild COc1ccccc1-c1ccc([C@@H]2[C@@H](C#N)N(C(=O)C3CC3)[C@@H]2CO)cc1 ZINC000095897420 FF Annotated Mild COc1ccccc1-c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2C#N)cc1 ZINC000095897421 FF Annotated Mild COc1ccc(-c2ccc([C@H]3[C@H](C#N)N(C(=O)C4CC4)[C@H]3CO)cc2)cc1 ZINC000095897452 FF Annotated Mild COc1ccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)C4CC4)[C@H]3CO)cc2)cc1 ZINC000095897453 FF Annotated Mild COc1ccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)C4CC4)[C@@H]3CO)cc2)cc1 ZINC000095897454 FF Annotated Mild COc1ccc(-c2ccc([C@@H]3[C@H](C#N)N(C(=O)C4CC4)[C@H]3CO)cc2)cc1 ZINC000095897455 FF Annotated Mild COc1ccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CC4)[C@H]3CO)cc2)cc1 ZINC000095897456 FF Annotated Mild COc1ccc(-c2ccc([C@H]3[C@@H](CO)N(C(=O)C4CC4)[C@H]3C#N)cc2)cc1 ZINC000095897457 FF Annotated Mild CCS(=O)(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1C#N ZINC000095897735 FF Annotated Mild CCCNC(=O)N1[C@H](C#N)[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]1CO ZINC000095897741 FF Annotated Mild CCCNC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]1C#N ZINC000095897742 FF Annotated Mild CCCNC(=O)N1[C@@H](C#N)[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]1CO ZINC000095897743 FF Annotated Mild CCCNC(=O)N1[C@H](C#N)[C@H](c2ccc(-c3cccnc3)cc2)[C@H]1CO ZINC000095897744 FF Annotated Mild CCCNC(=O)N1[C@@H](C#N)[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]1CO ZINC000095897745 FF Annotated Mild CCCNC(=O)N1[C@H](C#N)[C@@H](c2ccc(-c3cccnc3)cc2)[C@H]1CO ZINC000095897746 FF Annotated Mild CCCNC(=O)N1[C@H](CO)[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]1C#N ZINC000095897747 FF Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)c3ccccn3)[C@H]2CO)cc1 ZINC000095897981 FF Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@H](C#N)N(C(=O)c3ccccn3)[C@H]2CO)cc1 ZINC000095897982 FF Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)c3ccccn3)[C@@H]2CO)cc1 ZINC000095897983 FF Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N(C(=O)c3ccccn3)[C@H]2C#N)cc1 ZINC000095897984 FF Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)c3ccccn3)[C@H]2CO)cc1 ZINC000095897985 FF Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@H](C#N)N(C(=O)c3ccccn3)[C@H]2CO)cc1 ZINC000095897986 FF Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N(C(=O)c3ccccn3)[C@H]2C#N)cc1 ZINC000095897987 FF Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)c3ccccn3)[C@@H]2CO)cc1 ZINC000095897988 FF Annotated Mild N#C[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CCOCC1 ZINC000095898182 FF Annotated Mild N#C[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CCOCC1 ZINC000095898183 FF Annotated Mild N#C[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CCOCC1 ZINC000095898184 FF Annotated Mild CC(C)C[C@H]1COCn2nncc2CC[C@H](Cc2ccccc2)C(=O)N1 ZINC000095898365 FF Annotated Anodyne CC(C)C[C@H]1COCc2cn(nn2)CC[C@@H](Cc2ccccc2)C(=O)N1 ZINC000095898391 FF Annotated Anodyne CC(C)C[C@H]1COCc2cn(nn2)CC[C@H](Cc2ccccc2)C(=O)N1 ZINC000095898392 FF Annotated Anodyne CC(C)C[C@@H]1COCc2cn(nn2)CC[C@@H](Cc2ccccc2)C(=O)N1 ZINC000095898393 FF Annotated Anodyne CC(C)C[C@@H]1COCc2cn(nn2)CC[C@H](Cc2ccccc2)C(=O)N1 ZINC000095898394 FF Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2OC(C)=O)[C@]1(C)CC(=O)CC(C)(C)[C@H]1C[C@H]3O ZINC000095909315 FF Annotated Mild in-vitro biogenic C[C@@]12C[C@@H](c3ccoc3)OC(=O)C1=CC[C@]1(C)[C@H]2C[C@H]2COC(=O)[C@@]21O ZINC000095909712 FF Annotated Anodyne in-vitro biogenic CC1(C)CCC[C@@]2(C)[C@H]1CC(=O)[C@](C)(O)[C@]21CC[C@@]2(COC(=O)C2)O1 ZINC000095910326 FF Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@H]([C@@]14C[C@H](c1ccoc1)OC4=O)[C@@]23CO ZINC000095911316 FF Annotated Anodyne in-vitro biogenic CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)CC[C@@]2(C)CCC1 ZINC000095911422 FF Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3OC(C)=O ZINC000095911662 FF Annotated Mild in-vitro biogenic COc1cc([C@H](O)[C@@H]2CO2)ccc1-c1cc(/C=C/CO)cc(OC)c1O ZINC000095912025 FF Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@@]23CC(=O)[C@@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]4(C)[C@@H]2[C@@H](O)C[C@@H]1C3 ZINC000095912334 FF Annotated Mild in-vitro biogenic CC1=C(C[C@@H]2OC(=O)C3=CCC[C@@H](O)[C@@]32C)C(=O)O[C@H](C2=CCC=C2)C1 ZINC000095912515 FF Annotated Anodyne in-vitro biogenic COC(=O)[C@@]12CC[C@]3(C=CCN4CC[C@@]5(c6ccc(OC)cc6N[C@H]51)[C@@H]43)C2 ZINC000095912650 FF Annotated Anodyne in-vitro biogenic C[C@@H]1[C@@H](O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(COC(=O)C1)O2 ZINC000095912781 FF Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2OC(C)=O)[C@]1(C)C=CC(=O)C(C)(C)[C@H]1C[C@H]3O ZINC000095912823 FF Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)C=CC(=O)C(C)(C)[C@H]1C[C@H]3OC(C)=O ZINC000095912824 FF Annotated Mild in-vitro biogenic C/C=C1/CN2CC[C@@]34c5cc(OC)ccc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@@H]4C(=O)OC ZINC000095913515 FF Annotated Clean in-vitro biogenic C/C=C1\CN2CC[C@@]34c5cc(OC)ccc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@@H]4C(=O)OC ZINC000095913516 FF Annotated Clean in-vitro biogenic CC[C@H](C)C(=O)O[C@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@H]3OC(=O)[C@@H]1[C@@]32C ZINC000095913583 FF Annotated Anodyne in-vitro biogenic COc1ccc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@H]32)OCO4)cc1OC ZINC000095913747 FF Annotated Anodyne in-vitro biogenic O[C@H]1O[C@@H](c2ccc3c(c2)OCO3)[C@H]2CO[C@@H](c3ccc4c(c3)OCO4)[C@H]12 ZINC000095913862 FF Annotated Anodyne in-vitro biogenic CC(C)[C@]1(O)C=C2C(=O)C[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2C[C@@H]1O ZINC000095914104 FF Annotated Mild in-vitro biogenic CC1=CCC[C@H]2[C@@](C(=O)O)(C1)C[C@@H](C)[C@]2(CO)CC/C(=C/CO)CO ZINC000095914508 FF Annotated Anodyne in-vitro biogenic C=C[C@@H](C)C(=O)/C=C(\CCC(=C)COC(C)=O)[C@@](C)(O)COC(C)=O ZINC000095918676 FF Annotated Mild in-vitro biogenic C[C@@]1(O)C[C@]23CC(=O)[C@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N1CCO[C@@H]15 ZINC000095918718 FF Annotated Anodyne in-vitro biogenic C[C@]1(O)C[C@]23CC(=O)[C@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N1CCO[C@@H]15 ZINC000095918720 FF Annotated Anodyne in-vitro biogenic COc1ccc2c(c1)C(=O)[C@@]13O[C@]4(C)CC[C@@H]([C@@H]4C=C1C2=O)[C@@]3(C)C=O ZINC000095918761 FF Annotated Mild in-vitro biogenic CC(C)C1=C(O)[C@H]2OO[C@@H]3CC4=C(COC4=O)[C@@H]4CCC(=C2[C@]43C)C1=O ZINC000095919253 FF Annotated Reactive in-vitro biogenic C[C@@H]1CN2C[C@H]3CCC4=C5[C@H](CC4)[C@H](C(=O)O)C[C@@]54[C@@H]2[C@@H]1CC[C@@]34CO ZINC000095919475 FF Annotated Anodyne in-vitro biogenic O=C(Nc1nc(-n2ccnc2)c2nc(-c3cccnc3)sc2n1)C1CC1 ZINC000095920782 FF Annotated Anodyne NS(=O)(=O)c1ccc(-c2cn(-c3cccc4ccccc34)nn2)s1 ZINC000095920911 FF Annotated Anodyne Cc1ccc(Cl)c2c1NC(=O)[C@H]2NNC(=O)[C@@H](C)c1ccc(O)cc1 ZINC000095921119 FF Annotated Reactive C[C@](O)(C(=O)Nc1cccc(-n2ccc(C(=O)O)n2)c1)c1cccc(F)c1 ZINC000095970448 FF Annotated Anodyne C[C@@](O)(C(=O)Nc1cccc(-n2ccc(C(=O)O)n2)c1)c1cccc(F)c1 ZINC000095970449 FF Annotated Anodyne CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(Cc3nccn3C)C2)O1 ZINC000096018974 FF Annotated Anodyne CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(C(=O)c3cccnc3)C2)O1 ZINC000096018979 FF Annotated Anodyne CCN(CC)C(=O)CC[C@@H]1CC[C@]2(CCCN(C(=O)c3cccnc3)C2)O1 ZINC000096018994 FF Annotated Anodyne CC(=O)CC[C@@H]1CC[C@]2(CCCN(S(=O)(=O)c3ccccc3)C2)O1 ZINC000096019002 FF Annotated Anodyne CC(=O)CC[C@H]1CC[C@]2(CCCN(S(=O)(=O)c3ccccc3)C2)O1 ZINC000096019057 FF Annotated Anodyne O=C1N2CCc3ccccc3[C@@H]2CS(=O)(=O)N1CCc1ccccc1 ZINC000096019128 FF Annotated Anodyne O=C1N2CCc3ccccc3[C@H]2CS(=O)(=O)N1CCc1ccccc1 ZINC000096019129 FF Annotated Anodyne O=C1N2CCc3ccccc3[C@H]2CS(=O)(=O)N1Cc1ccc(F)cc1 ZINC000096019133 FF Annotated Anodyne O=C1N2CCc3ccccc3[C@@H]2CS(=O)(=O)N1Cc1ccc(F)cc1 ZINC000096019134 FF Annotated Anodyne C[C@H]1CCCN1c1cccc2c1S(=O)(=O)N(C1CC1)CC[C@@H](C)O2 ZINC000096019148 FF Annotated Anodyne C[C@@H]1CCN(C2CC2)S(=O)(=O)c2c(cccc2N2CCC[C@H]2C)O1 ZINC000096019149 FF Annotated Anodyne C[C@H]1CCCN1c1ccc2c(c1)O[C@H](C)CCN(C1CC1)S2(=O)=O ZINC000096019156 FF Annotated Anodyne C[C@@H]1CCN(C2CC2)S(=O)(=O)c2ccc(N3CCC[C@H]3C)cc2O1 ZINC000096019157 FF Annotated Anodyne CCN1Cc2nnn(Cc3ccccc3)c2-c2cc(F)ccc2S1(=O)=O ZINC000096019373 FF Annotated Anodyne CCN1Cc2nnn(Cc3ccc(C)cc3)c2-c2ccccc2S1(=O)=O ZINC000096019396 FF Annotated Anodyne CCN1Cc2nnn(Cc3ccccc3)c2-c2ccccc2S1(=O)=O ZINC000096019397 FF Annotated Anodyne O=S1(=O)c2ccccc2-c2c(nnn2Cc2ccccc2)CN1C1CC1 ZINC000096019402 FF Annotated Anodyne CC(C)N1Cc2nnn(Cc3ccccc3)c2-c2ccccc2S1(=O)=O ZINC000096019403 FF Annotated Anodyne COc1ccc(CN2CN3Cc4ccc(C)cc4[C@@H]3CS2(=O)=O)cc1 ZINC000096020133 FF Annotated Anodyne COc1ccc(CN2CN3Cc4ccc(C)cc4[C@H]3CS2(=O)=O)cc1 ZINC000096020134 FF Annotated Anodyne O=S1(=O)C[C@H]2c3ccc(F)cc3CN2CN1Cc1ccc(F)cc1 ZINC000096020144 FF Annotated Anodyne Cc1ccc2c(c1)[C@@H]1CS(=O)(=O)N(CCc3ccccc3)C(=O)N1C2 ZINC000096020174 FF Annotated Anodyne Cc1ccc2c(c1)[C@H]1CS(=O)(=O)N(CCc3ccccc3)C(=O)N1C2 ZINC000096020175 FF Annotated Anodyne COc1ccc(CN2C(=O)N3Cc4ccc(C)cc4[C@@H]3CS2(=O)=O)cc1 ZINC000096020176 FF Annotated Anodyne COc1ccc(CN2C(=O)N3Cc4ccc(C)cc4[C@H]3CS2(=O)=O)cc1 ZINC000096020177 FF Annotated Anodyne COc1ccc2c(c1)CN1C(=O)N(CCc3ccccc3)S(=O)(=O)C[C@H]21 ZINC000096020188 FF Annotated Anodyne COc1ccc2c(c1)CN1C(=O)N(CCc3ccccc3)S(=O)(=O)C[C@@H]21 ZINC000096020189 FF Annotated Anodyne COc1ccc2c(c1)CN1C(=O)N(Cc3ccccc3)S(=O)(=O)C[C@H]21 ZINC000096020194 FF Annotated Anodyne COc1ccc2c(c1)CN1C(=O)N(Cc3ccccc3)S(=O)(=O)C[C@@H]21 ZINC000096020195 FF Annotated Anodyne COc1ccc(CN2C(=O)N3Cc4ccccc4[C@@H]3CS2(=O)=O)cc1 ZINC000096020206 FF Annotated Anodyne COc1ccc(CN2C(=O)N3Cc4ccccc4[C@H]3CS2(=O)=O)cc1 ZINC000096020207 FF Annotated Anodyne CN1[C@H](Cc2ccccc2)COc2cccc(N3CCCC3)c2S1(=O)=O ZINC000096020511 FF Annotated Anodyne CN1[C@H](Cc2ccccc2)COc2cc(N3CCCC3)ccc2S1(=O)=O ZINC000096020512 FF Annotated Anodyne CN1[C@@H](Cc2ccccc2)COc2cccc(N3CCCC3)c2S1(=O)=O ZINC000096020513 FF Annotated Anodyne CN1[C@@H](Cc2ccccc2)COc2cc(N3CCCC3)ccc2S1(=O)=O ZINC000096020514 FF Annotated Anodyne CC(C)C[C@@H]1COc2cccc(N3CCSCC3)c2S(=O)(=O)N1C ZINC000096020528 FF Annotated Anodyne CC(C)C[C@@H]1COc2cc(N3CCSCC3)ccc2S(=O)(=O)N1C ZINC000096020529 FF Annotated Anodyne CC(C)C[C@H]1COc2cccc(N3CCSCC3)c2S(=O)(=O)N1C ZINC000096020532 FF Annotated Anodyne CC(C)C[C@H]1COc2cc(N3CCSCC3)ccc2S(=O)(=O)N1C ZINC000096020533 FF Annotated Anodyne O=S1(=O)N[C@H](Cc2ccccc2)COc2cc(N3CCCC3)ccc21 ZINC000096020559 FF Annotated Anodyne O=C(OCCO)c1c(C2=CCCCC2)oc2c1[C@@H](OCCO)CCC2 ZINC000096020765 FF Annotated Anodyne O=C(OCCO)c1c(C2=CCCCC2)oc2c1[C@H](OCCO)CCC2 ZINC000096020766 FF Annotated Anodyne O=[N+]([O-])c1ccc(CN2[C@H](COCc3ccccc3)C=CS2(=O)=O)cc1 ZINC000096021117 FF Annotated Anodyne O=S1(=O)N[C@@H](Cc2ccccc2)COc2cccc(N3CCCC3)c21 ZINC000096021151 FF Annotated Anodyne O=S1(=O)N[C@@H](Cc2ccccc2)COc2cccc(N3CCCCC3)c21 ZINC000096021152 FF Annotated Anodyne O=S1(=O)N[C@H](Cc2ccccc2)COc2cccc(N3CCCCC3)c21 ZINC000096021158 FF Annotated Anodyne O=S1(=O)N[C@H](Cc2ccccc2)COc2cccc(N3CCCC3)c21 ZINC000096021161 FF Annotated Anodyne O=S1(=O)N[C@H](c2ccccc2)COc2cc(Br)ccc21 ZINC000096021290 FF Annotated Anodyne Cc1noc(C)c1CNC[C@H]1COCc2c(-c3ccsc3)nnn2C1 ZINC000096069454 FF Annotated Anodyne Cc1noc(C)c1CNC[C@@H]1COCc2c(-c3ccsc3)nnn2C1 ZINC000096069455 FF Annotated Anodyne O=C(c1c[nH]cn1)N1CCC(F)(F)[C@@]2(CCN(c3cccc(F)c3)C2)C1 ZINC000096078096 FF Annotated Anodyne O=C(c1c[nH]cn1)N1CCC(F)(F)[C@]2(CCN(c3cccc(F)c3)C2)C1 ZINC000096078097 FF Annotated Anodyne Cc1cccc(NC(=O)N2C[C@H](C(=O)NC(C)C)C3(CCOCC3)C2)c1 ZINC000096078608 FF Annotated Anodyne Cc1cccc(NC(=O)N2C[C@@H](C(=O)NC(C)C)C3(CCOCC3)C2)c1 ZINC000096078609 FF Annotated Anodyne Cc1nc(CN2C(=O)CC3(CCN(C(N)=O)CC3)c3ccccc32)cs1 ZINC000096080286 FF Annotated Anodyne C=C(C)C(=O)O[C@H]1C/C(C)=C/[C@@]2(OC)C=C(C)[C@H](O2)[C@H]2OC(=O)C(=C)[C@H]12 ZINC000096085419 FF Annotated Mild in-vitro COc1cc([C@H]2O[C@@H](O)[C@H]3[C@H]2CO[C@H]3c2ccc(O)c(OC)c2)ccc1O ZINC000096085939 FF Annotated Anodyne in-vitro N=C(N)NCCCC[C@@H]1NCCc2c1[nH]c1cc(Br)ccc21 ZINC000096086173 FF Annotated Anodyne CN(C)C(=O)[C@H]1CC2(NC(=O)OCc3ccc(C(=O)O)cc3)CCC1CC2 ZINC000096086563 FF Annotated Anodyne in-vitro CS(=O)(=O)N1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1 ZINC000096088300 FF Annotated Anodyne Cc1cccc(C)c1N1NN=N/C1=C1/N=c2cc3ccccc3cc2=NC1=O ZINC000096142793 FF Annotated Anodyne Cn1cc(-c2nc(C3CCN(CC4CC4)CC3)cc3c2ncn3C)cn1 ZINC000096155618 FF Annotated Anodyne Cc1nc(COC[C@H]2CCC[C@]23CN([C@@H]2CCOC2)CCO3)cs1 ZINC000096160016 FF Annotated Anodyne Cc1nc(COC[C@H]2CCC[C@]23CN([C@H]2CCOC2)CCO3)cs1 ZINC000096160018 FF Annotated Anodyne Cc1ccc(Nc2cncnc2)c(C(=O)Nc2ccn(-c3ccncc3)n2)n1 ZINC000096167378 FF Annotated Anodyne c1cnc(OC2CN(c3ccc4ccccc4n3)C2)c(N2CCOCC2)c1 ZINC000096168886 FF Annotated Anodyne OCc1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1 ZINC000096169008 FF Annotated Anodyne C/C(=N\OCCO)c1ccc2ncc(Cc3ccc4ncccc4c3)n2n1 ZINC000096170307 FF Annotated Mild C/C(=N\O)c1cnc2nnn([C@@H](C)c3c(F)cc4ncccc4c3F)c2n1 ZINC000096170380 FF Annotated Mild C/C(=N\O)c1cnc2nnn([C@H](C)c3c(F)cc4ncccc4c3F)c2n1 ZINC000096170381 FF Annotated Mild Oc1cc(CNC(=S)/C=C/c2ccc(O)c(O)c2Cl)cc(O)c1O ZINC000096172817 FF Annotated Clean CN1CCN(C2=NC(=O)/C(=C/c3ccc(C(F)(F)F)cc3)S2)CC1 ZINC000096174732 FF Annotated Clean NCC(F)(F)COc1cccc2ccc(-c3nnc4ccccn34)nc12 ZINC000096174994 FF Annotated Anodyne Fc1cc(OCC2(F)CNC2)c2nc(-c3nnc4ccccn34)ccc2c1 ZINC000096175100 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccc(N)cc4)ccc31)[C@@H]1CC[C@H](C2)N1 ZINC000096175158 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccc(N)cc4)ccc31)[C@H]1CC[C@@H](C2)N1 ZINC000096175159 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cncc(F)c4)ccc31)[C@@H]1CC[C@H](C2)N1 ZINC000096175168 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cncc(F)c4)ccc31)[C@H]1CC[C@@H](C2)N1 ZINC000096175169 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cc(F)ccn4)ccc31)[C@@H]1CC[C@H](C2)N1 ZINC000096175222 FF Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4cc(F)ccn4)ccc31)[C@H]1CC[C@@H](C2)N1 ZINC000096175223 FF Annotated Anodyne FC(F)(F)Cn1cc(C2=NCc3ccnc(OC4CCOCC4)c32)cn1 ZINC000096175995 FF Annotated Anodyne C1=C(c2cnn([C@@H]3CCOC3)c2)c2c(ccnc2OC2CCOCC2)C1 ZINC000096176033 FF Annotated Anodyne CNC(=O)c1cccc(C2=NCc3cc(C)nc(OC4CCOCC4)c32)c1 ZINC000096176052 FF Annotated Anodyne c1cc2c(c(OC3CCOCC3)n1)C(c1cnn(C3CCOCC3)c1)=NC2 ZINC000096176065 FF Annotated Anodyne c1ncc(-c2cc(C3=NCc4ccnc(OC5CCOCC5)c43)ccn2)cn1 ZINC000096176072 FF Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cnn(CC4CC4)c3C2)CO[C@@H]1c1cc(F)ccc1F ZINC000096177963 FF Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cnn(CC4CC4)c3C2)CO[C@H]1c1cc(F)ccc1F ZINC000096177964 FF Annotated Anodyne CN(C)C(=O)N1Cc2ccccc2C2(CCN(C3CCOCC3)CC2)C1 ZINC000096242483 FF Annotated Anodyne Cc1cc(N)[nH]/c(=N\S(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)c1 ZINC000096258209 FF Annotated Mild CNC(=O)c1ccc(-c2nc3c(nc(NC)c4ncn(C)c43)s2)cc1 ZINC000096258299 FF Annotated Anodyne CN(CCO)c1ccc(NC(=O)COc2cccc(C(C)(C)C)c2)cn1 ZINC000096270030 FF Annotated Anodyne CC(=O)Nc1nc(CCc2ccc(CCc3c[nH]c(N)n3)cc2)cs1 ZINC000096271639 FF Annotated Anodyne O=C(N1CCc2nc(C#Cc3ccccc3)sc2C1)N1CC(F)(F)C1 ZINC000096273037 FF Annotated Mild CC1(C)OC(N[C@@H](CCO)c2ccccc2Cl)=NS(=O)(=O)C1(C)C ZINC000096273929 FF Annotated Anodyne O=S1(=O)N=C(NCC23CC4CC(CC(C4)C2)C3)O[C@H]2CCCC[C@H]21 ZINC000096273943 FF Annotated Anodyne CC(=O)N(C(C)=O)c1nc(-c2nnc(S)n2-c2ccccc2)cs1 ZINC000096282314 FF Annotated Anodyne O=C(N1C[C@@H]2CN(c3cnccn3)C[C@@H]2C1)C12CC3CC(CC(C3)C1)C2 ZINC000096283280 FF Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cn[nH]c3C2)CO[C@@H]1c1cc(F)c(Cl)cc1F ZINC000096284064 FF Annotated Anodyne CCCCNC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000096286730 FF Annotated Anodyne COc1ccc(-c2cnnn2-c2cc(OC)c3c(c2OC)OCO3)cc1 ZINC000096336526 FF Annotated Anodyne CO[C@@]12CCCC[C@@H]1[C@]1(C#N)C(O)=NC(=O)[C@]1(C#N)[C@H](c1ccccc1)O2 ZINC000096336634 FF Annotated Mild CO[C@]12CCCC[C@@H]1[C@]1(C#N)C(O)=NC(=O)[C@]1(C#N)[C@H](c1ccccc1)O2 ZINC000096336635 FF Annotated Mild CO[C@@]12CCCC[C@H]1[C@]1(C#N)C(O)=NC(=O)[C@]1(C#N)[C@H](c1ccccc1)O2 ZINC000096336637 FF Annotated Mild CO[C@]12CCCC[C@H]1[C@]1(C#N)C(O)=NC(=O)[C@]1(C#N)[C@H](c1ccccc1)O2 ZINC000096336639 FF Annotated Mild C=CCCCCOC(=O)CCCC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O ZINC000096891827 FF Annotated Mild CC(=O)N(C(C)=O)c1nc(-c2nnc(S)n2-c2ccc(C)cc2)cs1 ZINC000096901585 FF Annotated Anodyne C=C(C)C(=O)O[C@@H]1C[C@H](COC(C)=O)[C@@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)C(=C)[C@@H]21 ZINC000096904646 FF Annotated Mild C=C(C)C(=O)O[C@@H]1C[C@H](COC(C)=O)[C@@H]2CC=C(C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]21 ZINC000096904647 FF Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(CO)O[C@H](C3=CC(=O)O[C@H]3O)C[C@@H]21 ZINC000096904648 FF Annotated Anodyne CC[C@](C)(O)c1cn([C@@H]2C3=C(OC2(C)C)C(=O)c2ccccc2C3=O)nn1 ZINC000096904720 FF Annotated Mild CC[C@@](C)(O)c1cn([C@@H]2C3=C(OC2(C)C)C(=O)c2ccccc2C3=O)nn1 ZINC000096904721 FF Annotated Mild CC[C@](C)(O)c1cn([C@H]2C3=C(OC2(C)C)C(=O)c2ccccc2C3=O)nn1 ZINC000096904722 FF Annotated Mild CC[C@@](C)(O)c1cn([C@H]2C3=C(OC2(C)C)C(=O)c2ccccc2C3=O)nn1 ZINC000096904723 FF Annotated Mild O=C(O)c1ccc2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)[nH]c2c1 ZINC000096906696 FF Annotated Bother COc1ccc(Cn2cc(C(=O)O)c(=O)c3c(F)ccc(OC)c32)cc1 ZINC000096906834 FF Annotated Anodyne COC(=O)c1cc2c(cc1-c1cc(OC(C)=O)cc3c1N(C)CC3)OCO2 ZINC000096909156 FF Annotated Anodyne COc1cc(-c2c(CO)c(CO)cc3ccc4c(c23)OCO4)ccc1O ZINC000096909333 FF Annotated Anodyne COC(=O)[C@@H]1[C@H](C(=O)OC)[C@@]2(OC)c3ccccc3-c3ccccc3[C@H]12 ZINC000096909739 FF Annotated Anodyne COc1ccc(-c2c(CO)c(CO)cc3ccc4c(c23)OCO4)cc1O ZINC000096909762 FF Annotated Anodyne C[C@H]1C[C@@H](C)[C@@H](O)[C@@H]([C@H](O)CC2CC(=O)N(Cc3ccccc3)C(=O)C2)C1 ZINC000096910322 FF Annotated Anodyne Cc1cc(C)n2nc(SCn3cnc4c(Cl)cccc4c3=O)nc2n1 ZINC000096910569 FF Annotated Anodyne COc1ccc(N/N=C2\C(=O)c3cccc([N+](=O)[O-])c3N(C)C2=O)c(C)c1 ZINC000096910616 FF Annotated Mild O=C1/C(=N/Nc2ccc([N+](=O)[O-])cc2)C(O)=Nc2c1cccc2[N+](=O)[O-] ZINC000096910628 FF Annotated Mild CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](Cn3nc4ccccc4n3)[C@@H]2CC1 ZINC000096910786 FF Annotated Anodyne CC1CCN(c2nc(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3s2)CC1 ZINC000096910793 FF Annotated Bother CCOC(=O)c1c(C(F)(F)F)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000096911117 FF Annotated Anodyne Cc1ccc(O)c(C2=NN(c3ccc(S(C)(=O)=O)cc3)C(=O)CC2)c1 ZINC000096911495 FF Annotated Clean Cc1cc(O)ccc1C1=NN(c2ccc(S(C)(=O)=O)cc2)C(=O)CC1 ZINC000096911497 FF Annotated Clean O=C1OCC(OCCOC(=O)c2ccccc2[N+](=O)[O-])=C1c1ccccc1 ZINC000096914277 FF Annotated Bother COc1ccccc1C(=O)OCCOC1=C(c2ccccc2)C(=O)OC1 ZINC000096914279 FF Annotated Anodyne O=C(Cc1ccc(F)cc1)OCCOC1=C(c2ccccc2)C(=O)OC1 ZINC000096914295 FF Annotated Anodyne O=C(Cc1ccc(Cl)cc1)Oc1ccc2c(c1)OS(=O)(=O)CC2 ZINC000096914372 FF Annotated Anodyne Cc1ccc(C(=O)[C@H]2C[C@H](C(=O)OCC(F)(F)F)[C@@H]3C=CC=NN32)cc1 ZINC000096914601 FF Annotated Anodyne O=C(OCC(F)(F)F)[C@H]1C[C@H](C(=O)c2ccc(F)cc2)N2N=CC=C[C@@H]12 ZINC000096914607 FF Annotated Anodyne Cc1cc(C)cc(Cn2c(=O)cc(N(C)C)n(Cc3ccccc3)c2=O)c1 ZINC000096914710 FF Annotated Anodyne O=C1C=CC2(C=C1)OC[C@@H](c1cccc(I)c1)O2 ZINC000096916790 FF Annotated Mild O=C1C=CC2(C=C1)OC[C@H](c1cccc(I)c1)O2 ZINC000096916792 FF Annotated Mild O=C1C=CC2(C=C1)OC[C@@H](c1ccc(I)cc1)O2 ZINC000096916793 FF Annotated Mild O=C1C=CC2(C=C1)OC[C@H](c1ccc(I)cc1)O2 ZINC000096916795 FF Annotated Mild COc1ccc(-c2c3c(nc4ncnn24)-c2ccccc2C(=O)C3=O)cc1 ZINC000096917418 FF Annotated Clean O=C1C(=O)c2c(nc3ncnn3c2-c2ccc([N+](=O)[O-])cc2)-c2ccccc21 ZINC000096917422 FF Annotated Clean CCOc1cc2c(cc1O)[C@]1(C#N)CCC3(OCCO3)C3=CO[C@H](C2)[C@@H]31 ZINC000096917442 FF Annotated Mild O=C1[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc2N1Cc1ccc(Cl)c(F)c1 ZINC000096917677 FF Annotated Anodyne O=C1C(=O)c2c(nc3ncnn3c2-c2cccc([N+](=O)[O-])c2)-c2ccccc21 ZINC000096917773 FF Annotated Clean CN(C)CCNC(=O)c1cc2c3cc(O)ccc3n(C)c2c2cccnc12 ZINC000096921182 FF Annotated Bother CCN(CC)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)nc1 ZINC000096921396 FF Annotated Anodyne NS(=O)(=O)c1ccc(/N=C/c2c(Cl)c3ccccc3oc2=O)cc1 ZINC000096921650 FF Annotated Mild O=c1cc(CCl)oc(CN2CCN(CC3CCCCC3)CC2)c1O ZINC000096922489 FF Annotated Reactive Cc1ccccc1CN1CCN(Cc2oc(CCl)cc(=O)c2O)CC1 ZINC000096922713 FF Annotated Reactive Cc1cccc(CN2CCN(Cc3oc(CCl)cc(=O)c3O)CC2)c1 ZINC000096922714 FF Annotated Reactive Oc1nc(=S)[nH]c2c(-c3ccc(I)cc3)cnn12 ZINC000096922745 FF Annotated Anodyne CC(C)C(=O)N1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1 ZINC000096924146 FF Annotated Anodyne COC(=O)C1=C(C(=O)OC)N(c2ccccc2)CN(c2ccccc2)C1 ZINC000096927603 FF Annotated Anodyne CN(Cc1cccs1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000096927686 FF Annotated Anodyne CN(Cc1cccs1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000096927687 FF Annotated Anodyne O=c1c2ccc(Cl)cc2oc2c(CN3CCN(CCO)CC3)cccc12 ZINC000096927923 FF Annotated Bother CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@H]1c1ccccc1Cl ZINC000096929440 FF Annotated Bother CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@@H]1c1ccccc1Cl ZINC000096929441 FF Annotated Bother CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@H]1c1cccc(Cl)c1 ZINC000096929442 FF Annotated Bother CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@@H]1c1cccc(Cl)c1 ZINC000096929443 FF Annotated Bother CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@H]1c1ccc(Cl)cc1 ZINC000096929444 FF Annotated Bother CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@@H]1c1ccc(Cl)cc1 ZINC000096929445 FF Annotated Bother CCc1ccc([C@H]2OC(Cn3c([N+](=O)[O-])cnc3C)=NN2C(C)=O)cc1 ZINC000096929448 FF Annotated Bother CCc1ccc([C@@H]2OC(Cn3c([N+](=O)[O-])cnc3C)=NN2C(C)=O)cc1 ZINC000096929449 FF Annotated Bother CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@@H]1c1cc(C)ccc1C ZINC000096929450 FF Annotated Bother CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@H]1c1cc(C)ccc1C ZINC000096929451 FF Annotated Bother CN(C)CCCNC(=O)Cn1nc(-c2cccc(F)c2)c2ccccc21 ZINC000096930086 FF Annotated Anodyne CC[S@@](=O)C(=O)N(CCCC[S@](C)=O)Cc1ccc(F)cc1F ZINC000096930145 FF Annotated Anodyne CC[S@](=O)C(=O)N(CCCC[S@](C)=O)Cc1ccc(F)cc1F ZINC000096930146 FF Annotated Anodyne CC[S@@](=O)C(=O)N(CCCC[S@@](C)=O)Cc1ccc(F)cc1F ZINC000096930147 FF Annotated Anodyne CC[S@](=O)C(=O)N(CCCC[S@@](C)=O)Cc1ccc(F)cc1F ZINC000096930148 FF Annotated Anodyne COc1cc(Cn2cc(C(=O)Cc3ccccc3OC)nn2)cc(OC)c1 ZINC000096932329 FF Annotated Anodyne O=C(Nc1ccc(O)c(Sc2ncn[nH]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000096932736 FF Annotated Bother C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@]1(O)CC[C@@]13COC(=O)[C@H]1CC=C[C@H]32 ZINC000096933108 FF Annotated Anodyne C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@]1(O)CC[C@@]13COC(=O)[C@@H]1C=CC[C@@H]32 ZINC000096933110 FF Annotated Anodyne COc1ccc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2ccnn12 ZINC000096933207 FF Annotated Anodyne COc1cc(OC)c2c(C)c(C(=O)NCc3ccccc3)oc2c1C(N)=O ZINC000096933646 FF Annotated Anodyne COc1cc(OC)c2c(C)c(C(=O)Nc3ccccn3)oc2c1C(N)=O ZINC000096933648 FF Annotated Anodyne COc1cc(OC)c2c(C)c(C(=O)Nc3ccncc3)oc2c1C(N)=O ZINC000096933649 FF Annotated Anodyne CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(/O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000096933740 FF Annotated Anodyne COc1cc[n+](/C(C=C(C#N)C#N)=C(/O)c2ccc(OC)c(OC)c2)cc1 ZINC000096933749 FF Annotated Anodyne O=C(NCc1ccc(CN2CCCC2)cc1)c1csc2nc[nH]c(=O)c12 ZINC000096933970 FF Annotated Anodyne COc1cccc2c1CCN1C(=O)/C(=C/C(=O)c3ccccc3F)NC[C@H]21 ZINC000096934323 FF Annotated Mild COc1cccc2c1CCN1C(=O)/C(=C/C(=O)c3ccccc3F)NC[C@@H]21 ZINC000096934324 FF Annotated Mild COc1ccc2c(c1)CCN1C(=O)/C(=C/C(=O)c3ccccc3F)NC[C@H]21 ZINC000096934329 FF Annotated Mild COc1ccc2c(c1)CCN1C(=O)/C(=C/C(=O)c3ccccc3F)NC[C@@H]21 ZINC000096934330 FF Annotated Mild O=C(/C=C1\NC[C@@H]2c3ccccc3CCN2C1=O)c1cc(F)cc(F)c1 ZINC000096934333 FF Annotated Mild O=C(/C=C1\NC[C@H]2c3ccccc3CCN2C1=O)c1cc(F)cc(F)c1 ZINC000096934334 FF Annotated Mild O=C(/C=C1\NC[C@@H]2c3ccccc3CCN2C1=O)c1ccc(F)c(F)c1 ZINC000096934337 FF Annotated Mild O=C(/C=C1\NC[C@H]2c3ccccc3CCN2C1=O)c1ccc(F)c(F)c1 ZINC000096934338 FF Annotated Mild COc1ccc2c(c1)[C@@H]1CN/C(=C\C(=O)c3ccccc3F)C(=O)N1CC2 ZINC000096934355 FF Annotated Mild COc1ccc2c(c1)[C@H]1CN/C(=C\C(=O)c3ccccc3F)C(=O)N1CC2 ZINC000096934356 FF Annotated Mild COc1ccc2c(c1)[C@@H]1CN/C(=C\C(=O)c3cccc(F)c3)C(=O)N1CC2 ZINC000096934361 FF Annotated Mild COc1ccc2c(c1)[C@H]1CN/C(=C\C(=O)c3cccc(F)c3)C(=O)N1CC2 ZINC000096934362 FF Annotated Mild CCNC(=O)Cn1nc(N)c2c(C(F)(F)F)cc(-c3ccccc3)nc21 ZINC000096934530 FF Annotated Anodyne COc1cc(CNC(=O)CSc2nc(C)cc(C)c2C#N)cc(OC)c1 ZINC000096934899 FF Annotated Mild O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(N2CCNCC2)s1 ZINC000096935100 FF Annotated Anodyne O=C(OCCN(CCCl)CCCl)c1ccc[n+](-c2ccccc2)c1 ZINC000096937790 FF Annotated Reactive Cc1ccccc1-c1nn(C(C)C)cc1CNCCN1CCN(C)CC1 ZINC000096938546 FF Annotated Anodyne O=C(O)CCCc1nc(-c2ccc(I)cc2)no1 ZINC000096938652 FF Annotated Anodyne O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2ccc(Cl)cn12 ZINC000096939358 FF Annotated Bother Cc1ncc2c(c1-c1noc(CCc3cn4ccccc4n3)n1)CCNC2 ZINC000097463734 FF Annotated Anodyne COc1c2n(cc/c1=[O+]\C)-c1nc3ccc(OC(F)F)cc3n1SC2 ZINC000098043959 FF Annotated Anodyne in-man CN1c2ccsc2C(=O)/C(=C(/S)Nc2ccccc2)S1(=O)=O ZINC000098081735 FF Annotated Mild O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CC1CCNCC1 ZINC000098082195 FF Annotated Anodyne O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CC1CCNCC1 ZINC000098082196 FF Annotated Anodyne O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1CC1CCNCC1 ZINC000098082197 FF Annotated Anodyne CN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccsc2)CC1 ZINC000098083119 FF Annotated Anodyne CCNC(=O)c1ccc(NCc2cnc3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000098083399 FF Annotated Bother CCOCc1c(OC(C)=O)cc2c(c1OC)C(=O)c1ccccc1C2=O ZINC000098083745 FF Annotated Clean COc1c(C=O)c(O)c(Br)c2c1C(=O)c1ccccc1C2=O ZINC000098083746 FF Annotated Clean CCCN1C(=O)[C@@H](Oc2ccccc2)[C@H]1c1ccc(S(C)(=O)=O)cc1 ZINC000098083990 FF Annotated Anodyne CC(C)N1C(=O)[C@@H](Oc2ccccc2)[C@H]1c1ccc(S(C)(=O)=O)cc1 ZINC000098083991 FF Annotated Anodyne CCc1c(Sc2ccccc2)n(OCc2ccccc2)c(=O)[nH]c1=O ZINC000098084079 FF Annotated Anodyne O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CCN1CCCC1 ZINC000098084142 FF Annotated Anodyne O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CCN1CCCC1 ZINC000098084143 FF Annotated Anodyne O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1CCN1CCCC1 ZINC000098084144 FF Annotated Anodyne CCc1c(Sc2cc(C)cc(C)c2)n(OCCO)c(=S)[nH]c1=O ZINC000098084583 FF Annotated Anodyne CCOC(=O)CN1C(=O)S[C@@H](Cc2ccc(OC(C)C)cc2)C1=O ZINC000098085021 FF Annotated Anodyne CCOC(=O)CN1C(=O)S[C@H](Cc2ccc(OC(C)C)cc2)C1=O ZINC000098085022 FF Annotated Anodyne COc1cc([C@@H]2C[C@@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc(OC)c1OC ZINC000098085789 FF Annotated Anodyne COc1cc([C@@H]2C[C@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc(OC)c1OC ZINC000098085790 FF Annotated Anodyne COc1ccc([C@@H]2C[C@@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c(OC)c1OC ZINC000098085791 FF Annotated Anodyne COc1ccc([C@@H]2C[C@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c(OC)c1OC ZINC000098085792 FF Annotated Anodyne COc1cc(OC)c([C@@H]2C[C@@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc1OC ZINC000098085793 FF Annotated Anodyne COc1cc(OC)c([C@@H]2C[C@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)cc1OC ZINC000098085794 FF Annotated Anodyne COc1cc(OC)c([C@@H]2C[C@@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c(OC)c1 ZINC000098085795 FF Annotated Anodyne COc1cc(OC)c([C@@H]2C[C@](C)(O)[C@@H]3CC=C(C)[C@@H](O)[C@@H]3O2)c(OC)c1 ZINC000098085796 FF Annotated Anodyne COc1ccc(OC)c(Sc2ccc3nnc(-c4cnn(C)c4)n3n2)c1 ZINC000098208354 FF Annotated Anodyne