Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol37042 O=C(CC[n+]1ccc(C=NO)cc1)c1ccccc1 2 2
mol37043 O=C(C[n+]1cccc(C=NO)c1)C[n+]1cccc(C=NO)c1 2 4
mol37044 O=C(C[n+]1cccc(C=NO)c1)C[n+]1cccc(C(=O)NC2CCCC2)c1 2 2
mol37045 O=C(C[n+]1cccc(C=NO)c1)C[n+]1cccc(C(=O)NC2CCCCC2)c1 2 2
mol37046 O=C(C[n+]1cccc(C=NO)c1)C[n+]1cccc(C(=O)Nc2ccccc2)c1 2 3
mol37047 O=C(C[n+]1cccc(C=NO)c1)C[n+]1cccc(C(=O)OC2CCCCC2)c1 2 2
mol37048 Oc1ccc(-c2ccc3c(ccc4ccccc43)[o+]2)cc1O 0 0
mol37049 Oc1ccc2ccc(-c3ccc(O)c(O)c3)[o+]c2c1 2 4
mol37050 C[C@@H]1CCC(c2ccoc2)[N+]2=C[C@@]3(CC[C@@H]12)CS[C@]1(C=[N+]2C(c4ccoc4)CC[C@@H](C)[C@@H]2CC1)C3 0 0
mol37051 Cc1ncc(CO)c(C=N[C@H](C(=O)O)C(C)C)c1O 2 3
mol37052 Cc1ncc(CO)c(CN[C@H](C(=O)O)C(C)C)c1O 3 6
mol37053 c1ccc(CC[N+]23CCC(CC2)CC3)nc1 2 2
mol37054 c1cc(CC[N+]23CCC(CC2)CC3)ccn1 2 2
mol37055 COc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)NCCCC(=O)O)C(=O)N[C@H](Cc2ccc(C(=N)N)cc2)C(=O)N2CCCCC2)c(C)c1C 2 2
mol37056 COc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccc(C(=N)N)cc2)C(=O)N2CCCCC2)c(C)c1C 2 2
mol37057 COc1cc(C)nc(N2N=C(C)CC2=O)n1 2 2
mol37058 COc1cc(CN(CC(=O)O)CC(=O)O)nc(CN(CC(=O)O)CC(=O)O)c1 2 7
mol37059 COc1cc(Cc2c(N)nc(N)nc2SC)cc(OC)c1OC 2 5
mol37060 COc1cc(Cc2cnc(N)nc2N)cc(O)c1O 2 5
mol37061 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1-n1cccc1 2 5