Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol12081 CC1(c2cccc3ccccc23)C(=O)NC(=O)C1C(N)=O 2 4
mol12082 CC1(c2ccc3ccccc3c2)C(=O)NC(=O)C1C(N)=O 2 4
mol12083 O=C(O)C(SC(C(=O)O)c1ccccc1)c1ccccc1 3 3
mol12084 CCOC(=O)c1ccc(N=Nc2ccc(O)c(C(=O)O)c2)cc1 2 2
mol12085 CC(=O)C(C(=O)Nc1ccccc1)c1ccccc1 0 0
mol12086 CCOC(=O)c1ccc(C(=O)N(O)c2ccccc2)cc1 2 2
mol12087 O=C(O)CN(CC(=O)O)c1c(O)c(C(=O)O)cc2ccccc12 0 0
mol12088 Cc1ccccc1C(c1ccccc1C)C([N+](=O)[O-])[N+](=O)[O-] 2 2
mol12089 CCOC(=O)C(C(=O)OCC)c1nccc2ccccc12 2 2
mol12090 CCOC(=O)[C-](C(=O)OCC)[n+]1cccc2ccccc21 2 2
mol12091 CN(C)Cc1c(O)c(O)c(CN(C)C)c2ccccc12 4 8
mol12092 CN(C)Cc1cc(C(C)(C)C)cc(CN(C)C)c1O 2 2
mol12093 O=C(O)CN(CCCCCCCCN(CC(=O)O)CC(=O)O)CC(=O)O 7 13
mol12094 CCCCCCCCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O 5 10
mol12095 CCCCCCCCCCCCCCC(C(=O)O)S(=O)(=O)O 3 4
mol12096 CCCCC(CC)COP(=O)(O)OCC(CC)CCCC 2 2
mol12097 O=C1C(Cl)=CC(=Nc2ccc(O)c3ccccc23)C=C1Cl 0 0
mol12098 O=C1C(Br)=CC(=Nc2ccc(O)c3ccccc23)C=C1Br 0 0
mol12099 Cc1ccc2c(N=C3C=C(Cl)C(=O)C(Cl)=C3)ccc(O)c2n1 0 0
mol12100 Cc1ccc2c(N=C3C=C(Br)C(=O)C(Br)=C3)ccc(O)c2n1 0 0