Compound Name

SMILES String

C(C(C1CCCC1)C1CCCC1)C1CCCCN1

C(C(C1CCCC1)C1CCCCC1)C1CCCCN1

C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1

C(C(C1CCCCC1)C1CCCCC1)[C@@H]1CCCCN1

C(C(C1CCCCC1)C1CCCCC1)[C@H]1CCCCN1 |r|

C(C(C1CCCCC1)C1CCOCC1)C1CCCCN1

CC(C)(C)CC(O)CC([O-])=O

CC(C)(C)C[C@@H](O)CC([O-])=O

CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)cnnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1 |r|

CC(C)(CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)=O |r|

CCCCCCCCCCCCCCCC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C |r|

CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1

CCCCCCCCCCCCCCNC(=O)N[C@@H](CC([O-])=O)C[N+](C)(C)C

CCCCCCCCCCCCCCNC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C

CCCCCCCCCCCCNC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C

CCCCCCCCCCCCS(=O)(=O)N[C@@H](CC([O-])=O)C[N+](C)(C)C

CCCCCCCCCCCCS(=O)(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C

CCCCCCCCCCCNC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C

CCCCCCCCCCCNS(=O)(=O)N[C@@H](CC([O-])=O)C[N+](C)(C)C

CCCCCCCCCCCNS(=O)(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C

CCCCCCCCCCS(=O)(=O)NC(CC([O-])=O)C[N+](C)(C)C

CCCCCCCCCNC(=O)NC(CC([O-])=O)C[N+](C)(C)C

CCCCCCCCCNC(=O)N[C@@H](CC([O-])=O)C[N+](C)(C)C

CCCCCCCCCNC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C

CCCCCCCCCNS(=O)(=O)NC(CC([O-])=O)C[N+](C)(C)C

CCCCCCCCOC(=O)NC(CC([O-])=O)C[N+](C)(C)C

CCCCCCCCOC(=O)N[C@@H](CC([O-])=O)C[N+](C)(C)C

CCCCCCCCOC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C

CCCCCCCC[C@H]1OC(=O)C(CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)n2cnc3c(N)cnnc23)[C@@H]1C(O)=O |r|

CCCCCCCNC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C

CCCCCCOc1cccc(OCCCCNC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C)c1 |r|

CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1

COc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(cc12)C(=O)Nc1ccc(CC(O)=O)cc1

COc1ccc(CN2CCNCC2)c(OC)c1OC

COc1ccc(Cl)cc1S(=O)(=O)N1CC(Oc2ccc(cc12)C(=O)Nc1cccc(F)c1)C(O)=O

COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(cc12)C(=O)Nc1ccc(cc1)C(O)=O

COc1ccc(cc1)-c1noc(n1)[C@H]1CCCCN1C(=O)COc1ccccc1 |r|

C[N+](C)(C)C[C@H](N)CC([O-])=O |r|

C[N+](C)(C)C[C@H](O)CC([O-])=O |r|

FC(F)(F)c1cccc(Cn2nc(C(=O)NCc3cccs3)c3ccccc23)c1

FC1(F)CCC(CC1)C(CC1CCCCN1)C1CCC(F)(F)CC1

FC1(F)CCC(CC1)C(CC1CCCCN1)C1CCCCC1

FC1(F)CCCC(C1)C(CC1CCCCN1)C1CCCCC1

N[C@H](C(O)=O)c1ccc(O)cc1 |r|

O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(cs1)-c1ccccn1 |r|

OC(=O)C(=O)c1ccc(O)cc1

OC(=O)C(=O)c1ccc(OCCOc2ccc3ccccc3c2)s1

OC(=O)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)cc1

OC1CCC(CC1)C(CC1CCCCN1)C1CCCCC1 |(16.21,-38.05,;14.88,-37.27,;13.54,-38.03,;12.21,-37.26,;12.23,-35.73,;13.55,-34.95,;14.88,-35.73,;10.89,-34.96,;9.56,-35.73,;8.23,-34.96,;6.9,-35.73,;5.57,-34.95,;5.57,-33.41,;6.91,-32.65,;8.23,-33.42,;10.89,-33.42,;12.22,-32.66,;12.23,-31.13,;10.9,-30.35,;9.56,-31.12,;9.55,-32.66,)|

[O-]C(=O)C1(CO1)C(F)(F)CCCCCOc1ccc(Cl)cc1