Compound Name

SMILES String

Brc1ccc(cc1)C(=O)CN1CCn2c(cs[c+]12)-c1cccs1

Brc1cccc(\C=C2/SC(=S)N(CC(=O)Nc3cccnc3)C2=O)c1

C(Cc1ccccc1)C1=NCCn2cccc12 |t:9|

CC(=O)Cc1cc(O)c2ccccc2c1OC(=O)c1ccc(Br)cc1

CC(=O)Cc1cc(O)c2ccccc2c1OC(=O)c1ccccc1

CC(=O)Nc1ccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)cc1

CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CCn1nc(c(Br)c1C1CC1)C(F)(F)F)C2=O)C(O)=O |t:5|

CC(=O)O[C@H]1C\C(C)=C\CC\C(C)=C/CC[C@](C)(O)[C@@H]2C[C@@H]1C(=C)C(=O)O2 |c:12,t:7|

CC(=O)Oc1c(Br)cc(N(C(C)=O)S(=O)(=O)c2ccccc2)c2ccccc12

CC(=O)Oc1c(Cl)c(N2CCOCC2)c(OC(C)=O)c2ccccc12

CC(=O)Oc1c(Cl)cc(N(C(C)=O)S(=O)(=O)c2ccccc2)c2ccccc12

CC(=O)Oc1ccc(cc1)C12c3ccccc3C1(OC(C)=O)c1cc(OC(C)=O)ccc21

CC(=O)[C-]1Sc2nn[c-](C)[n+]2[N+](C(C)=O)=C1c1cccc(c1)[N+]([O-])=O |c:15|

CC(C)(C)NC(=O)C(C1CC1)n1c2ccccc2nc(-c2ccco2)c1=O

CC(C)(C)NC(=O)C(c1cc2ccccc2o1)n1c2ccccc2nc(-c2ccco2)c1=O

CC(C)(C)NC(=O)C(c1ccc(cc1)-c1ccccc1)n1c2ccccc2nc(-c2ccco2)c1=O

CC(C)(C)NC(=O)C(c1ccc(cc1)C#N)n1c2ccccc2nc(-c2ccco2)c1=O

CC(C)(C)NC(=O)C(c1ccc(cc1)C(F)(F)F)n1c2ccccc2nc(-c2ccco2)c1=O

CC(C)(C)NC(=O)C(c1cccc2ccccc12)n1c2ccccc2nc(-c2ccco2)c1=O

CC(C)(C)NC(=O)C(c1ccccc1)n1c2ccccc2nc(-c2ccco2)c1=O

CC(C)(C)NC(=O)C(c1ccccc1F)n1c2ccccc2nc(-c2ccco2)c1=O

CC(C)(C)NC(=O)C(c1ccnc2ccccc12)n1c2ccccc2nc(-c2ccco2)c1=O

CC(C)(C)NC(=O)C(c1ccncc1)n1c2ccccc2nc(-c2ccco2)c1=O

CC(C)N1C(=O)C(=Cc2nc3ccccc3c(=O)[nH]2)c2ccccc12 |w:7.7|

CC(C)c1ccc(cc1)N1Cc2cc(ccc2N=C1)C(C)C |c:19|

CC(C)c1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(C)cc2)s1

CC(C)c1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(F)cc2)s1

CC(CCc1ccco1)NC(=O)CCc1nnc2ccc(NCc3ccccc3Cl)nn12

CC(N1C(=O)c2ccccc2C1=O)C(=O)Oc1ccc2NC(C)(C)C=C(C)c2c1 |t:26|

CC(O)CC(=O)OC[C@]12CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)[C@@H]1CC(O2)C1=CC(=O)OC1O |t:33|

CC(c1nc2ccccc2[nH]1)n1c2ccccc2nc(-c2ccco2)c1=O

CC1(C)CC(C)(c2ccccc2)c2cccc3C(=O)C(=O)N1c23

CC1(C)c2ccccc2N2CC(=O)NC12\C=C\c1ccco1

CC1=CC(=O)c2ccccc2C1=O |t:1|

CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)C4CCCCC4C3=O)cc12 |t:1|

CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)CCC3=O)cc12 |t:1|

CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)c4cccc5cccc(C3=O)c45)cc12 |t:1|

CC1=CC(C)(C)Nc2ccc(OC(=O)c3cccnc3)cc12 |t:1|

CC1CC2C3C=C(C)C4=CC(=O)\C(CC4(C)C3C(O)CC2(C)C11OCOC11COCO1)=C\O |t:5,8|

CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)NNc1nc2c(C)cc(C)cc2s1

CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1

CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1

CC1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(NC(C)=O)cc1

CC1CN(Cc2c(O)ccc3c4ccccc4c(=O)oc23)CC(C)O1

CC1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(Cl)cc1

CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl

CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1

CCC(=O)Nc1cccc(c1)C(=O)\C=C\c1ccccc1

CCC(C(=O)OCCN(CC)CC)c1ccccc1

CCC(C)NC(=O)Nc1ccc2Sc3ccccc3C(=O)N(C)c2c1

CCC(c1nc2ccccc2[nH]1)n1c2ccccc2nc(-c2ccco2)c1=O

CCC1(C)NC(CC(=N1)c1ccc2OCOc2c1)c1ccccc1O |c:7|

CCCC(=O)NC(c1cccc(c1)[N+]([O-])=O)c1ccc2cccnc2c1O

CCCCC(=O)NC(c1cccc(c1)[N+]([O-])=O)c1ccc2cccnc2c1O

CCCCC1NC(CS1)C(O)=O

CCCCCCC=C1CCC(CN2CCCC2)C1=O |w:6.5|

CCCCCCNC(=O)O[C@H]1Cn2n([C@H](CN(CC#C)S(=O)(=O)c3ccc(C)cc3)[C@H]1OC(=O)NCCCCCC)c(=O)ccc2=O

CCCCCNC(=O)C(C1CC1)n1c2ccccc2nc(-c2ccco2)c1=O

CCCCCNC(=O)C(c1cc2ccccc2o1)n1c2ccccc2nc(-c2ccco2)c1=O

CCCCCNC(=O)C(c1ccc(OC)cc1)n1c2ccccc2nc(-c2ccco2)c1=O

CCCCCNC(=O)C(c1ccc(cc1)C#N)n1c2ccccc2nc(-c2ccco2)c1=O

CCCCCNC(=O)C(c1ccc(cc1)C(F)(F)F)n1c2ccccc2nc(-c2ccco2)c1=O

CCCCCNC(=O)C(c1cccc2ccccc12)n1c2ccccc2nc(-c2ccco2)c1=O

CCCCCNC(=O)C(c1ccccc1F)n1c2ccccc2nc(-c2ccco2)c1=O

CCCCC\C=C/C[C@H](O)\C=C\c1cccc(C[C@H](O)CCCCO)n1

CCCCNC(=O)Nc1ccc2Sc3ccccc3C(=O)N(C)c2c1

CCCCOC(=O)Nc1cc(ccc1C(=O)OC)C(=O)OC

CCCCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccoc1C

CCCNC(=O)Nc1ccc2Sc3ccccc3C(=O)N(C)c2c1

CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1

CCCc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)s1

CCN(CC)C(=S)SSC(=S)N(CC)CC

CCN(CC)CCC(C)OC(c1ccccc1)c1ccccc1

CCN(CC)CCN(CC(=O)Nc1c(C)cc(C)cc1C)C(=O)c1ccccc1

CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccs2)-c2ccccc2)cc1

CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1

CCN(CC)CCOc1ccc(cc1)C(=C(/Cl)c1ccccc1)\c1ccccc1

CCN(CCCc1ccccc1)CCCc1ccccc1

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(\C=C\c4cnc(Nc5cc(nc(C)n5)N5CCNCC5)cn4)c3)cc2C(F)(F)F)CC1

CCN1C\C(=C\c2ccc(OC)c(O)c2)C(=O)\C(C1)=C\c1ccc(OC)c(O)c1

CCN1\C(Oc2ccc(cc12)-c1ccccc1)=C\C=C\c1oc2ccc(cc2[n+]1CC)-c1ccccc1

CCOC(=O)C(=Cc1ccc(Cl)cc1)c1nc2sc(C)c(C)c2c(=O)[nH]1 |w:6.6|

CCOC(=O)C1CCCN(C1)C(=O)c1cc(Nc2ccc(OC)cc2)nc2ccccc12

CCOC(=O)N1CCN(CC1)C(=O)C[C@@H]1C[C@]2(CCC=C2N(Cc2ccc(Cl)cc2Cl)C1=O)C(=O)OCC |c:20|

CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)C=C)c2c1

CCOC(=O)c1c(C)oc2c1c(CN1CCN(CCO)CC1)c(O)c1ccccc21

CCOC(=O)c1c(NC(=O)\C=C\C(O)=O)sc(C)c1-c1ccc(cc1)C(C)(C)C

CCOC(=O)c1c(NC(C)=O)sc2c1CCC(C=O)=C2Sc1ccccc1 |c:19|

CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1

CCOc1cc(\C=C2/CCC\C(=C/c3cc(Cl)c(O)c(OCC)c3)C2=O)cc(Cl)c1O

CCOc1cc2C(=O)C(=O)N3c2c(c1)C(C)=CC3(C)C |c:17|

CCOc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(OC)c(OC)cc2[N+]([O-])=O)C1=O |w:16.17|

CCSc1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1

CCSc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(F)cc2)s1

CCc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)s1

CCc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)s1

CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1

CN(C)CCCN(C(=O)CCc1ccccc1)c1nc2ccc(Br)cc2s1

CN(C)CCCN(C(=O)CCc1ccccc1)c1nc2ccc(Cl)cc2s1

CN(C)CCCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1nc2c(C)c(C)ccc2s1

CN(C)CCCNC(=O)c1ccc(cc1)-c1nc(cs1)-c1ccc(Cl)cc1

CN(C)CCN(Cc1ccco1)c1ccccn1

CN(C)CCOC1(Cc2ccc(C)cc2)CCC(CC1)C(C)(C)C |(.83,11.12,;1.6,9.78,;.83,8.45,;3.14,9.78,;3.91,8.45,;5.45,8.45,;6.22,7.11,;6.99,8.45,;8.53,8.45,;9.3,7.11,;10.84,7.11,;11.61,8.45,;13.15,8.45,;10.84,9.78,;9.3,9.78,;7.55,6.34,;7.55,4.8,;6.22,4.03,;4.88,4.8,;4.88,6.34,;6.22,2.49,;6.22,.95,;4.68,2.49,;7.76,2.49,)|

CN(C)CCOC1(Cc2ccc(F)cc2)CCC(CC1)C(C)(C)C |(.83,11.12,;1.6,9.78,;.83,8.45,;3.14,9.78,;3.91,8.45,;5.45,8.45,;6.22,7.11,;6.99,8.45,;8.53,8.45,;9.3,7.11,;10.84,7.11,;11.61,8.45,;13.15,8.45,;10.84,9.78,;9.3,9.78,;7.55,6.34,;7.55,4.8,;6.22,4.03,;4.88,4.8,;4.88,6.34,;6.22,2.49,;6.22,.95,;4.68,2.49,;7.76,2.49,)|

CN(C)CCOc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1

CN(C)CCOc1ccc(cc1)C(=C(\CCCl)c1ccccc1)\c1ccccc1

CN(C)c1ccc(Cc2cc3c(O)ccc(O)c3cc(Cc3ccc(cc3)N(C)C)c2=O)cc1

CN1C(=S)NC(=O)\C(=C/C=C/c2ccco2)C1=O

CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1

CN1CCN(CC1)C1c2nc(C)oc2CCc2ccccc12

CN1[C@H]2CC[C@@H]1CC(C2)OC1c2ccccc2CCc2ccccc12

COC(=O)C1=C(C)N(Cc2ccco2)C(=O)\C1=C/c1ccc(cc1)[N+]([O-])=O |c:4|

COC(=O)[C@@H](N)CS

COC(=O)c1cc(=O)n(-c2ccc(F)cc2)\c(=N\c2ccc(F)cc2)s1

COC(=O)c1cc(=O)n(Cc2ccco2)\c(=N\c2ccc(F)cc2)s1

COC(=O)c1cc(nc2ccccc12)-c1ccc(C)o1

COC(=O)c1ccc(Cn2cc(\C=C/[N+]([O-])=O)c3ccccc23)o1

COC([O-])=C1C(C(C(=[OH+])OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |w:2.2,c:13,t:10|

COCCN(CCOC)c1nc(N)c2c(N)nc3N(Cc4ccc(Cl)cc4)C(=O)Cc3c2c1C#N

COCCNC(=O)C(=C\c1cccc(\C=C(/C#N)C(=O)NCCOC)c1)\C#N

COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CO1 |c:25,t:5,7|

COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O

COc1cc(C)c2sc3ccccc3c(=O)c2c1NCCN(C)C

COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2)c(cc1OC)[N+]([O-])=O |w:5.4|

COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:5.4,13.13|

COc1cc(OC)cc(c1)C(=O)NC(=S)N(Cc1ccccc1)C(C)C

COc1cc(\C=C(/C#N)C(=O)N2CCc3ccccc23)ccc1O

COc1cc(\C=C\C(=O)c2ccc(Cl)s2)cc(OC)c1O

COc1cc(ccc1OCc1cn(CC(=O)c2ccc(O)cc2)nn1)C(C)=O

COc1cc2CCN(CCc3ccc(Cl)cc3)C(C)c2cc1OC

COc1ccc(C(=O)\C=C\c2cc(cc3COCOc23)C(O)=O)c(O)c1

COc1ccc(C)c2sc(nc12)N(CCN(C)C)C(=O)\C=C\c1cccs1

COc1ccc(C=CC(=O)CC(O)(c2ccccc2)C(F)(F)F)cc1 |w:7.7|

COc1ccc(CN(CCC(c2ccccc2)c2ccc(OC(C)C)cc2)C(=O)CCl)cc1OC

COc1ccc(CNC(=O)O[C@H]2Cn3n([C@H](CN(CC#C)S(=O)(=O)c4ccc(C)cc4)[C@H]2OC(=O)NCc2ccc(OC)c(OC)c2)c(=O)ccc3=O)cc1OC

COc1ccc(NC(=O)C(c2ccc(OC)cc2)n2c3ccccc3nc(-c3ccco3)c2=O)cc1

COc1ccc(NC(=O)C(c2ccc(cc2)C#N)n2c3ccccc3nc(-c3ccco3)c2=O)cc1

COc1ccc(NC(=O)C(c2cccc3ccccc23)n2c3ccccc3nc(-c3ccco3)c2=O)cc1

COc1ccc(NC(=O)C(c2ccccc2)n2c3ccccc3nc(-c3ccco3)c2=O)cc1

COc1ccc(NC(=O)C(c2ccnc3ccccc23)n2c3ccccc3nc(-c3ccco3)c2=O)cc1

COc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1

COc1ccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1Cl

COc1ccc(O)c(c1)C(=O)\C=C\c1cc2ccccc2o1

COc1ccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)cc1

COc1ccc(\C=C/C(=O)c2c(O)ccc3c(C)cc(=O)oc23)cc1OC

COc1ccc(\C=C2/CC\C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC

COc1ccc(\C=C\C(=O)c2cc(F)ccc2OC(=O)c2ccc(OC)c(OC)c2)cc1OC

COc1ccc(\C=C\C(=O)c2cc3cccc(OC)c3oc2=O)cc1

COc1ccc(cc1)C(C(=O)NC(C)(C)C)n1c2ccccc2nc(-c2ccco2)c1=O

COc1ccc(cc1)C(C(=O)NC1CCCCC1)n1c2ccccc2nc(-c2ccco2)c1=O

COc1ccc(cc1)C(C(=O)NCc1ccccc1)n1c2ccccc2nc(-c2ccco2)c1=O

COc1ccc(cc1)C(C(=O)Nc1c(C)cccc1C)n1c2ccccc2nc(-c2ccco2)c1=O

COc1ccc(cc1)C(C(=O)Nc1ccc2OCCOc2c1)n1c2ccccc2nc(-c2ccco2)c1=O

COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F

COc1ccc2OC3(C=Cc2c1)N(CCO)c1ccccc1C3(C)C |c:8|

COc1cccc(C=CC(=O)c2c(O)cc(C)oc2=O)c1O |w:7.6|

COc1cccc2sc(nc12)N(CCCN(C)C)C(=O)COc1ccc(Cl)cc1

COc1ccccc1-c1cc(C(=O)NC2CCN(C)CC2)c2ccc(Cl)c(C)c2n1

COc1ccccc1C(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccncc1

COc1ccccc1C=CC(=O)C=Cc1ccccc1OC

COc1ccccc1\C=C\C(=O)c1ccccc1

CS(=O)(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\C=C\c1ccccc1

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCN1C(=O)S\C(=C/c2cccnc2)C1=O

CSCCC(NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)occ(-c1ccc3OCCOc3c1)c2=O

CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)O)n1cc(C)nn1)n1cc(CCO)nn1

CS\C(N=C(SCc1ccccc1)N(C)C)=N/c1ccccc1

CSc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(C)cc2)s1

CSc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)s1

CSc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)s1

CSc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2F)s1

Cc1cc(C)c(C(CC(=O)c2cccs2)C(C#N)C#N)c(C)c1

Cc1cc(C)c(NC(=O)CN2CCN3CCCC3C2)c(C)c1

Cc1cc(C)c(NC(=O)C[N+](C)(C)CC(O)COc2cccc3ccccc23)c(C)c1

Cc1ccc(C)c(\C=C\C(=O)c2ccccc(=O)c2O)c1

Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(n2)-c2ccco2)cc1

Cc1ccc(O)c(c1)C(=O)C=Cc1ccccc1

Cc1ccc(O)c(c1)C(=O)\C=C\c1ccc2OCCCOc2c1

Cc1ccc(SC2=C(Sc3ccc(C)cc3)C(=O)c3ccccc3C2=O)cc1 |c:6|

Cc1ccc(\C=C\C(=O)c2cc(Br)ccc2OC(=O)c2ccco2)cc1

Cc1ccc(cc1)C(=O)C1C(OC(=O)C1=O)c1ccc(Cl)cc1

Cc1ccc(cc1)C(=O)c1coc-2c1C(=O)C(=O)c1ccccc-21

Cc1ccc(cc1)C1=NOC(=O)\C1=C/C=C/c1ccccc1 |t:8|

Cc1ccc(cc1)S(=O)(=O)N(CC#C)C[C@@H]1[C@@H](OC(=O)NC2CCCC2)[C@H](Cn2n1c(=O)ccc2=O)OC(=O)NC1CCCC1

Cc1ccc(cc1)S(=O)(=O)N(CC#C)C[C@@H]1[C@@H](OC(=O)NCC2CCCCC2)[C@H](Cn2n1c(=O)ccc2=O)OC(=O)NCC1CCCCC1

Cc1ccc(cc1)S(=O)(=O)N(CC#C)C[C@@H]1[C@@H](OC(=O)NCc2ccccc2F)[C@H](Cn2n1c(=O)ccc2=O)OC(=O)NCc1ccccc1F

Cc1ccc(cc1)S(=O)(=O)N(CC#C)C[C@@H]1[C@@H](OC(=O)Nc2cccs2)[C@H](Cn2n1c(=O)ccc2=O)OC(=O)Nc1cccs1

Cc1ccc(cc1)S(=O)(=O)N1C[C@@]2(O)Cn3n(C[C@]2(C1)OC(=O)NCC1CCCCC1)c(=O)ccc3=O

Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)CCl |r|

Cc1ccc(o1)C(=O)\C=C\c1cc(Br)cc(Br)c1O

Cc1ccc2c(CC(=O)N3CCN(CC3)S(=O)(=O)c3ccc4OCCOc4c3)coc2c1

Cc1ccc2nc3cc(cc([N+]([O-])=O)c3cc2c1)[N+]([O-])=O

Cc1cccc(C)c1NC(=O)C(c1ccc(cc1)-c1ccccc1)n1c2ccccc2nc(-c2ccco2)c1=O

Cc1cccc(C)c1NC(=O)C(c1ccc(cc1)C#N)n1c2ccccc2nc(-c2ccco2)c1=O

Cc1cccc(C)c1NC(=O)C(c1ccc(cc1)C(F)(F)F)n1c2ccccc2nc(-c2ccco2)c1=O

Cc1cccc(C)c1NC(=O)C(c1cccc2ccccc12)n1c2ccccc2nc(-c2ccco2)c1=O

Cc1cccc(C)c1NC(=O)C(c1ccccc1)n1c2ccccc2nc(-c2ccco2)c1=O

Cc1cccc(C)c1NC(=O)C(c1ccccc1F)n1c2ccccc2nc(-c2ccco2)c1=O

Cc1cccc(C)c1NC(=O)C(c1ccnc2ccccc12)n1c2ccccc2nc(-c2ccco2)c1=O

Cc1cccc(C)c1NC(=O)C(c1ccncc1)n1c2ccccc2nc(-c2ccco2)c1=O

Cc1cccc(C)c1OCc1cn(CC(=O)c2ccc(O)cc2)nn1

Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)c(n2)-c2ccco2)c1

Cc1nc(sc1C(=O)C=Cc1ccccc1)-c1ccccc1 |w:8.8|

Cc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2C)s1

Cc1oc-2c(c1C(=O)c1ccc(C)cc1)C(=O)C(=O)c1ccccc-21

Cc1oc-2c(c1C(=O)c1ccc(Cl)cc1)C(=O)C(=O)c1ccccc-21

Clc1ccc(C(=O)C(=C\c2ccccc2)\n2cncn2)c(Cl)c1

Clc1ccc(NN=C(C=O)C(=O)c2ccncc2)cc1 |w:6.5|

Clc1ccc(cc1)-c1[nH]oc(=O)c1C=C1C=CC(=O)C=C1 |c:17,21,(5.23,-5.36,;5.23,-3.82,;6.57,-3.05,;6.57,-1.51,;5.23,-.74,;3.9,-1.51,;3.9,-3.05,;5.23,.8,;3.99,1.71,;4.46,3.17,;6,3.17,;6.91,4.42,;6.48,1.71,;7.94,1.23,;9.09,2.26,;8.77,3.77,;9.91,4.8,;11.38,4.33,;12.52,5.36,;11.7,2.82,;10.55,1.79,)|

Clc1ccc(cc1)C(=O)\C=C\Sc1ccccc1

Clc1ccc(cc1)C1CC(=O)c2cc(Cl)ccc2O1

Clc1ccccc1OCC(=O)Nc1ccc(cc1)N1CCCC1

FC(F)(F)c1cc(C=Cc2ccc(Cl)cc2Cl)[nH]c(=O)n1 |w:7.6|

FC(F)(F)c1ccc(cc1)C(C(=O)NC1CCCCC1)n1c2ccccc2nc(-c2ccco2)c1=O

FC(F)(F)c1ccc(cc1)C(C(=O)NCc1ccccc1)n1c2ccccc2nc(-c2ccco2)c1=O

FC(F)(F)c1cccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1

FC(F)Oc1ccc(cc1)C(=O)NCc1ccc[n+](CC(=O)Nc2cccc(c2)C(F)(F)F)c1

Fc1c(F)c(F)c(Oc2ccc(NC(=O)OC3CCN4Cc5ccccc5N=C34)cc2)c(F)c1F |t:28|

Fc1ccc(CN2C(=O)NC(=O)\C(=C\C=C\c3ccco3)C2=O)cc1

Fc1ccc(Cn2nnc3c2nc([nH]c3=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)S(=O)(=O)NC2CC2)cc1

Fc1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1nc2n(Cc3ccc4OCCOc4c3)nnc2c(=O)[nH]1

Fc1ccccc1C(C(=O)NC1CCCCC1)n1c2ccccc2nc(-c2ccco2)c1=O

Fc1ccccc1C(C(=O)NCc1ccccc1)n1c2ccccc2nc(-c2ccco2)c1=O

Fc1ccccc1C(C(=O)Nc1ccc2OCCOc2c1)n1c2ccccc2nc(-c2ccco2)c1=O

N#Cc1ncc(Cc2ccccc2)nc1C#N

NC(=O)CCN1CCN(CCOC2Cc3cc(Cl)ccc3Sc3ccccc23)CC1

NC(Nc1ccc(Cl)cc1)=NC(N)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,10.11,23.23|

NC(Nc1ccc(Cl)cc1)=NC(N)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,23.23,10.11|

Nc1cc(c[nH]c1=O)-c1ccncc1

O=C(Cn1c2sc3CCCCc3c2c(=O)n(Cc2ccco2)c1=O)Nc1ccccc1

O=C(NC1CCCCC1)C(C1CC1)n1c2ccccc2nc(-c2ccco2)c1=O

O=C(NC1CCCCC1)C(c1cc2ccccc2o1)n1c2ccccc2nc(-c2ccco2)c1=O

O=C(NC1CCCCC1)C(c1ccc(cc1)-c1ccccc1)n1c2ccccc2nc(-c2ccco2)c1=O

O=C(NC1CCCCC1)C(c1ccc(cc1)C#N)n1c2ccccc2nc(-c2ccco2)c1=O

O=C(NC1CCCCC1)C(c1cccc2ccccc12)n1c2ccccc2nc(-c2ccco2)c1=O

O=C(NC1CCCCC1)C(c1ccccc1)n1c2ccccc2nc(-c2ccco2)c1=O

O=C(NC1CCCCC1)C(c1ccnc2ccccc12)n1c2ccccc2nc(-c2ccco2)c1=O

O=C(NCc1ccccc1)C(=C/c1ccccc1)\C#N

O=C(NCc1ccccc1)C(C1CC1)n1c2ccccc2nc(-c2ccco2)c1=O

O=C(NCc1ccccc1)C(c1cc2ccccc2o1)n1c2ccccc2nc(-c2ccco2)c1=O

O=C(NCc1ccccc1)C(c1ccc(cc1)-c1ccccc1)n1c2ccccc2nc(-c2ccco2)c1=O

O=C(NCc1ccccc1)C(c1ccc(cc1)C#N)n1c2ccccc2nc(-c2ccco2)c1=O

O=C(NCc1ccccc1)C(c1cccc2ccccc12)n1c2ccccc2nc(-c2ccco2)c1=O

O=C(NCc1ccccc1)C(c1ccccc1)n1c2ccccc2nc(-c2ccco2)c1=O

O=C(Nc1ccc2OCCOc2c1)C(c1ccc(cc1)C#N)n1c2ccccc2nc(-c2ccco2)c1=O

O=C(Nc1ccc2OCCOc2c1)C(c1ccnc2ccccc12)n1c2ccccc2nc(-c2ccco2)c1=O

O=C(\C=C\Sc1ccccc1)c1ccccc1

O=C(\C=C\c1ccc2OCOc2c1)c1ccccn1

O=C(\C=C\c1ccccc1)/C=C/c1ccccc1

O=C(\C=C\c1ccccc1)c1ccccc1

O=C(c1coc-2c1C(=O)C(=O)c1ccccc-21)c1ccccc1

O=C1C(=O)c2ccccc2-c2ccccc12

O=C1CN(CCc2ccccc2)C(=O)C2=C(CCCN12)C1=CC(=O)C=CC1=O |c:27,t:15,23|

O=C1NC(=O)\C(=C\C=C\c2ccco2)C(=O)N1Cc1ccccc1

O=C1NC(=S)NC(=O)C11C(NC(=S)NC1c1ccccc1)c1ccccc1

O=C1\C(CC\C1=C/c1cccnc1)=C\c1cccnc1

O=CC1=C(Oc2ccccc2O1)c1ccccc1 |t:2|

O=S(=O)(Nc1nc2cc(ccc2s1)S(=O)(=O)NC1=NCCCCC1)c1ccc2ccccc2c1 |t:19|

O=c1c(nc2ccccc2n1C(CCc1ccccc1)c1nc2ccccc2[nH]1)-c1ccco1

O=c1n([se]c2ccccc12)-c1ccccc1

OC(=O)CC(O)(CC(O)=O)C(O)=O

OC(=O)\C=C\C(O)=O.[H][C@@]12C(=O)CC[C@]11CCC(C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CSCCN(CC)CC

OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccc(\C=C\C(=O)c2ccccc2)cc1

OC(CC(=O)C=Cc1ccccc1)(c1ccccc1)C(F)(F)C(F)F |w:5.4|

ON(C(=O)CF)c1ccc(C=Cc2ccccc2)cc1 |w:10.9|

Oc1c(ccc2ccccc12)C(N1CCCCC1)c1ccccc1

Oc1ccc(cc1)C(=O)Cn1cc(COc2ccccc2C#N)nn1

Oc1ccc2sc(c(-c3ccc(OCCN4CCCCC4)cc3)c2c1)-c1ccccc1O

Oc1cccc(\C=C(\C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3s2)c1

Oc1ccccc1C(=O)\C=C\c1ccc2OCCCOc2c1

[#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]\c1ccccc1-[#8]-[#6])\[#6](=O)-[#8]-[#6]-[#6]

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccsc2-[#6](=O)-[#6]-c2ccccc-12

[#7]-[#6](=O)-[#6](\[#6](=O)\[#6]=[#6]\c1ccc(Cl)cc1)=[#6]-1/[#16]-[#6]-[#6]-[#16]-1

[H]C12CC([H])(C(CN=C(N)CSS(O)(=O)=O)CC1)C2(C)C |w:7.6,THB:6:5:18:2|

[H]C12CCC([H])(C(C(C1)OC(=O)c1ccccc1)C(=O)OCC)N2C |TLB:18:6:23:3.2|

[H][C@@]12CN(C[C@]1(O)[C@H](Cn1n2c(=O)ccc1=O)OC(=O)Nc1cccs1)S(=O)(=O)c1ccc(C)cc1

[O-][N+](=O)\C=C\c1cn(Cc2ccc(F)cc2)c2ccccc12

[O-][N+](=O)c1ccc(N=[NH+]Cc2cc(c[n-]2)C(=O)CCl)c(c1)[N+]([O-])=O |w:7.6|

[O-][N+](=O)c1ccc(Oc2ccc(C=C3C(=O)NC(=O)N(C3=O)c3ccccc3F)cc2)nc1 |w:12.11|