Compound Name

SMILES String

Brc1ccc(NC(=O)N2CCc3c(C2)c(nn3C(=O)c2ccccc2)-c2ccccc2)cc1

CC(=O)N1CCc2c(C1)sc(NC(=O)c1cccs1)c2C(N)=O

CC(=O)c1ccc(cc1)S(=O)(=O)N1CCc2c(C1)c(nn2C(=O)c1ccccc1)-c1ccccc1

CC(=O)c1ccc(cc1)S(=O)(=O)N1CCc2c(C1)sc(NC(=O)c1ccc(o1)[N+]([O-])=O)c2C(N)=O

CC(=O)c1ccc(cc1)S(=O)(=O)N1CCc2c(C1)sc(NC(=O)c1ccc(s1)[N+]([O-])=O)c2C(N)=O

CC(C)(C)C(=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

CC(C)(C)C(O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

CC(C)(C)C1CCc2onc(C(=O)Nc3cn[nH]c3)c2C1 |w:4.3|

CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4)c3)c2C1 |w:4.3|

CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4Cl)c3)c2C1

CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)c2C1

CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)c2C1 |w:4.3|

CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4F)c3)c2C1

CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4F)c3)c2C1 |w:4.3|

CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(I)cc4)c3)c2C1

CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(cc4)C(=O)NCCc4ccccc4)c3)c2C1 |w:4.3|

CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(cc4)C(=O)NCc4ccccc4)c3)c2C1 |w:4.3|

CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(cc4)C(O)=O)c3)c2C1 |w:4.3|

CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc5ccccc5c4)c3)c2C1 |w:4.3|

CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4cccc(I)c4)c3)c2C1

CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccccc4)c3)c2C1 |w:4.3|

CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccccc4Br)c3)c2C1 |w:4.3|

CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccccc4C(F)(F)F)c3)c2C1

CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccccc4I)c3)c2C1

CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccccc4I)c3)c2C1 |w:4.3|

CC(C)(C)OC(=O)N1CCc2[nH]nc(c2C1)-c1ccccc1

CC(C)(C)OC(=O)c1ccc(Cn2cc(NC(=O)c3noc4CCC(Cc34)C(C)(C)C)cn2)cc1 |w:24.28|

CC(C)(C)[C@@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

CC(C)(C)[C@@H](O)C(=O)NS(=O)(=O)OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

CC(C)(C)[C@@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

CC(C)(C)[C@@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](F)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

CC(C)(C)[C@@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

CC(C)(C)c1ccc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)c2c1

CC(C)(C)c1ccc2onc(C(=O)Nc3cnn(Cc4ccc(I)cc4)c3)c2c1

CC(C)(C)c1ccc2onc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)c2c1

CC(C)(CO)[C@@H](O)CNS(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc23)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O

CCN(CC)CCOC(=O)C(CC1CCCO1)Cc1cccc2ccccc12

CCOc1ccc(NC(=O)c2c(C)nc3ccccn23)cc1

CCOc1ccc(NC(=O)c2c(C)nc3sc4ccccc4n23)cc1

CC[C@@H](CO)NCCN[C@@H](CC)CO |r|

CN(C)c1ccc(\C=N\NC(=O)c2c(C)nc3sc4ccccc4n23)cc1

CN(C)c1ccc(\C=N\NC(=O)c2c(C)nc3sccn23)cc1

COC(=O)c1cc2c(OCc3ccccc3)cc(N)cc2[nH]1

COC(=O)c1ccc(Cn2cc(NC(=O)c3noc4CCC(Cc34)C(C)(C)C)cn2)cc1 |w:21.25|

COCC(C)(C)C(O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

COCCC(O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

COc1cc(\C=N\NC(=O)c2c(C)nc3ccccn23)cc(OC)c1OC

COc1cc(\C=N\NC(=O)c2c(C)nc3sc4ccccc4n23)cc(OC)c1OC

COc1cc(\C=N\NC(=O)c2c(C)nc3sccn23)cc(OC)c1OC

COc1ccc(Cc2noc(NC(=O)c3noc4CCC(Cc34)C(C)(C)C)c2C(N)=O)cc1 |w:20.24|

COc1ccc(NC(=O)N2CCc3c(C2)sc(NC(=O)c2ccc(o2)[N+]([O-])=O)c3C(N)=O)cc1

COc1ccc(NC(=O)N2CCc3c(C2)sc(NC(=O)c2ccc(s2)[N+]([O-])=O)c3C(N)=O)cc1

COc1ccc(NC(=O)c2c(C)nc3sccn23)cc1

COc1ccc(OC)c(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1

COc1ccc(\C=N\NC(=O)c2c(C)nc3ccccn23)cc1

COc1ccc(cc1)-c1cc(no1)C(=O)Nc1cnn(Cc2ccccc2C)c1

COc1ccc(cc1)-n1cc(Cn2nc(c3CN(CCc23)C(=O)Nc2ccccc2)-c2ccccc2)nn1

COc1ccc(cc1)-n1cc(Cn2ncc3CN(CCc23)C(=O)Nc2ccccc2)nn1

COc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)sc(NC(=O)c1ccc(o1)[N+]([O-])=O)c2C(N)=O

COc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)sc(NC(=O)c1ccc(s1)[N+]([O-])=O)c2C(N)=O

COc1ccc(cc1OC)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1

COc1ccc2-c3onc(C(=O)Nc4cc(C)n(Cc5ccc(Cl)cc5)n4)c3CCc2c1

COc1ccc2-c3onc(C(=O)Nc4ccn(Cc5ccc(C)cc5)n4)c3CCc2c1

COc1ccc2[nH]c(cc2c1)C(=O)NS(=O)(=O)c1ccc(C)cn1

COc1ccc2[nH]ccc2c1

COc1ccc2n(CC(O)=O)c(C)cc2c1

COc1ccc2n(CC(O)=O)c(CNC(=O)c3cc4ccccc4o3)cc2c1

COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)NS(=O)(=O)Cc1ccc(cc1)C(F)(F)F

COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)NS(=O)(=O)c1cc2ccccc2o1

COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)NS(=O)(=O)c1ccc(C)cn1

COc1cccc(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1

COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1

COc1ccccc1C(=O)NNC(=O)c1c(C)nc2ccccn12

Cc1cc(NC(=O)c2cc(on2)-c2ccco2)nn1Cc1ccc(Cl)cc1

Cc1cc(NC(=O)c2cc(on2)-c2cccs2)nn1Cc1ccc(Cl)cc1

Cc1cc(NC(=O)c2noc3CCCCCc23)nn1Cc1ccc(Cl)cc1

Cc1cc(NC(=O)c2noc3CCCCc23)nn1Cc1ccc(Cl)cc1

Cc1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1

Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Br)cc3)n2)cc1

Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Cl)cc3)n2)cc1

Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(F)cc3)n2)cc1

Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccc(Cl)c3)n2)cc1

Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccccc3)n2)cc1

Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccco3)n2)cc1

Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccs3)n2)cc1

Cc1ccc(Cn2ccc(NC(=O)c3noc4CCC(Cc34)C(C)(C)C)n2)cc1

Cc1ccc(Cn2ccc(NC(=O)c3noc4CCCCCc34)n2)cc1

Cc1ccc(Cn2ccc(NC(=O)c3noc4CCCCc34)n2)cc1

Cc1ccc2C(CC(O)=O)C(=Cc2c1)C(=O)NS(=O)(=O)c1cc2ccccc2o1 |c:10|

Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1

Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1 |w:20.25|

Cc1nc2ccc(C)cn2c1C(=O)NCc1cccs1

Cc1nc2ccccn2c1C(=O)NC1CCCCC1

Cc1nc2ccccn2c1C(=O)NCCc1ccccc1

Cc1nc2ccccn2c1C(=O)NCc1ccccc1

Cc1nc2ccccn2c1C(=O)NCc1ccco1

Cc1nc2ccccn2c1C(=O)NNC(=O)C1CCCCC1

Cc1nc2ccccn2c1C(=O)NNC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O

Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(C)cc1

Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(Cl)cc1Cl

Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(Oc2ccccc2)cc1

Cc1nc2ccccn2c1C(=O)NNC(=O)c1cccc(c1)[N+]([O-])=O

Cc1nc2ccccn2c1C(=O)NNC(=O)c1cccc2ccccc12

Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccccc1

Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccco1

Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(Br)cc1

Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(C)cc1

Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(F)cc1

Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(O)cc1

Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(OCc2ccccc2)cc1

Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(cc1)C(F)(F)F

Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(cc1)[N+]([O-])=O

Cc1nc2ccccn2c1C(=O)N\N=C\c1ccccc1

Cc1nc2ccccn2c1C(=O)Nc1ccc(Br)cc1

Cc1nc2ccccn2c1C(=O)Nc1ccc(Cl)cc1

Cc1nc2ccccn2c1C(=O)Nc1cccc(c1)C(F)(F)F

Cc1nc2ccccn2c1C(=O)Nc1ccccc1

Cc1nc2ccccn2c1C(=O)Nc1ccccn1

Cc1nc2sc3ccccc3n2c1C(=O)NC1CCCCC1

Cc1nc2sc3ccccc3n2c1C(=O)NCc1ccccc1

Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)C1CCCCC1

Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)c1ccc(C)cc1

Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)c1ccc(Oc2ccccc2)cc1

Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)c1cccc2ccccc12

Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)c1ccccc1

Cc1nc2sc3ccccc3n2c1C(=O)N\N=C\c1ccc(Br)cc1

Cc1nc2sc3ccccc3n2c1C(=O)N\N=C\c1ccc(cc1)C(F)(F)F

Cc1nc2sc3ccccc3n2c1C(=O)N\N=C\c1ccccc1

Cc1nc2sc3ccccc3n2c1C(=O)Nc1ccc(Br)cc1

Cc1nc2sc3ccccc3n2c1C(=O)Nc1ccccc1

Cc1nc2sccn2c1C(=O)NC1CCCCC1

Cc1nc2sccn2c1C(=O)NCc1ccccc1

Cc1nc2sccn2c1C(=O)NNC(=O)C1CCCCC1

Cc1nc2sccn2c1C(=O)NNC(=O)c1ccc(C)cc1

Cc1nc2sccn2c1C(=O)NNC(=O)c1ccc(Oc2ccccc2)cc1

Cc1nc2sccn2c1C(=O)NNC(=O)c1cccc2ccccc12

Cc1nc2sccn2c1C(=O)NNC(=O)c1ccccc1

Cc1nc2sccn2c1C(=O)N\N=C\c1ccc(Br)cc1

Cc1nc2sccn2c1C(=O)N\N=C\c1ccc(cc1)C(F)(F)F

Cc1nc2sccn2c1C(=O)N\N=C\c1ccccc1

Cc1nc2sccn2c1C(=O)Nc1ccc(Br)cc1

Cc1nc2sccn2c1C(=O)Nc1ccccc1

Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1noc2CCC(Cc12)C(C)(C)C

Fc1ccc(Cn2cc(NC(=O)c3noc4ccc(cc34)-c3ccccc3)cn2)cc1

Fc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)c(nn2C(=O)c1ccccc1)-c1ccccc1

NC(=O)c1c(NC(=O)c2ccc(o2)[N+]([O-])=O)sc2CN(CCc12)C(=O)NCc1ccccc1

NC(=O)c1c(NC(=O)c2ccc(o2)[N+]([O-])=O)sc2CN(CCc12)C(=O)Nc1ccc(Cl)cc1

NC(=O)c1c(NC(=O)c2ccc(o2)[N+]([O-])=O)sc2CN(CCc12)C(=O)Nc1ccc(cc1)[N+]([O-])=O

NC(=O)c1c(NC(=O)c2ccc(o2)[N+]([O-])=O)sc2CN(CCc12)C(=S)Nc1ccc(cc1)[N+]([O-])=O

NC(=O)c1c(NC(=O)c2ccc(o2)[N+]([O-])=O)sc2CN(CCc12)S(=O)(=O)c1ccc(Br)cc1

NC(=O)c1c(NC(=O)c2ccc(o2)[N+]([O-])=O)sc2CN(CCc12)S(=O)(=O)c1ccc(F)cc1

NC(=O)c1c(NC(=O)c2ccc(o2)[N+]([O-])=O)sc2CN(CCc12)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O

NC(=O)c1c(NC(=O)c2ccc(s2)[N+]([O-])=O)sc2CN(CCc12)C(=O)NCc1ccccc1

NC(=O)c1c(NC(=O)c2ccc(s2)[N+]([O-])=O)sc2CN(CCc12)C(=O)Nc1ccc(Cl)cc1

NC(=O)c1c(NC(=O)c2ccc(s2)[N+]([O-])=O)sc2CN(CCc12)C(=O)Nc1ccc(cc1)[N+]([O-])=O

NC(=O)c1c(NC(=O)c2ccc(s2)[N+]([O-])=O)sc2CN(CCc12)C(=S)NCc1ccccc1

NC(=O)c1c(NC(=O)c2ccc(s2)[N+]([O-])=O)sc2CN(CCc12)C(=S)Nc1ccc(Cl)cc1

NC(=O)c1c(NC(=O)c2ccc(s2)[N+]([O-])=O)sc2CN(CCc12)C(=S)Nc1ccc(F)cc1

NC(=O)c1c(NC(=O)c2ccc(s2)[N+]([O-])=O)sc2CN(CCc12)C(=S)Nc1ccc(cc1)[N+]([O-])=O

NC(=O)c1c(NC(=O)c2ccc(s2)[N+]([O-])=O)sc2CN(CCc12)S(=O)(=O)c1ccc(Br)cc1

NC(=O)c1c(NC(=O)c2ccc(s2)[N+]([O-])=O)sc2CN(CCc12)S(=O)(=O)c1ccc(F)cc1

NC(=O)c1c(NC(=O)c2ccc(s2)[N+]([O-])=O)sc2CN(CCc12)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O

NC(=O)c1c(NC(=O)c2ccc(s2)[N+]([O-])=O)sc2CN(Cc3ccccc3)CCc12

NC(=O)c1c2CCN(Cc2sc1NC(=O)c1ccc(o1)[N+]([O-])=O)C(=S)NCc1ccccc1

NC(=O)c1c2CCN(Cc2sc1NC(=O)c1ccc(o1)[N+]([O-])=O)C(=S)Nc1ccc(Cl)cc1

NC(=O)c1c2CCN(Cc2sc1NC(=O)c1ccc(o1)[N+]([O-])=O)C(=S)Nc1ccc(F)cc1

NNC(=O)c1ccncc1

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCC(O)CO)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSSCC(O)CO)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSSCc2cccc(c2)N(=O)=O)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSSCc2cccc(c2)[N+]([O-])=O)[C@@H](O)[C@H]1O |r|

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSSCc2ccccc2)[C@@H](O)[C@H]1O |r|

O=C(Nc1cccc2ccccc12)N1CCc2c(C1)c(nn2C(=O)c1ccccc1)-c1ccccc1

O=c1n([se]c2ccccc12)-c1ccccc1

OC(=O)c1cc2ccccc2o1

[O-][N+](=O)c1ccc(NC(=O)N2CCc3c(C2)c(nn3C(=O)c2ccccc2)-c2ccccc2)cc1