Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol12001 CC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 2 2
mol12002 O=C(O)CN(CC(=O)O)c1ccc(S(=O)(=O)O)c2ccccc12 0 0
mol12003 CC(=O)c1cccc(NS(=O)(=O)c2ccc(N)cc2)c1 2 2
mol12004 CC(=O)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 2 2
mol12005 CN(C)c1cccc(NS(=O)(=O)c2ccc(N)cc2)c1 2 2
mol12006 CN(C)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 2 2
mol12007 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O 3 14
mol12008 CC(=O)N(c1cc(C)ccc1C)N1CCNCC1 3 3
mol12009 CC(=O)N(c1c(C)cccc1C)N1CCNCC1 3 3
mol12010 O=C(C(=S)N(CCCO)CCCO)N(CCCO)CCCO 2 3
mol12011 CCCC[P+](CCCC)(CCCC)CC(=O)O 2 2
mol12012 O=C1c2ccccc2C(=O)C1c1ccccc1 2 2
mol12013 O=C(CC(=O)c1ccccc1)c1ccccc1 2 2
mol12014 COC1=C(C2C(=O)C=C(C)C(=O)C2O)C(=O)C=C(C)C1=O 0 0
mol12015 O=C1C2=C(CCCC2)C(=O)C1c1ccccc1 0 0
mol12016 O=C1C2=CCCCC2C(=O)C1c1ccccc1 0 0
mol12017 O=C1C(c2ccccc2)C(=O)C2CCCCC12 0 0
mol12018 CC(C)(C)c1cc(C(=O)O)cc(C(C)(C)C)c1O 3 3
mol12019 O=C1c2ccccc2C(=O)C1c1ccccc1Cl 0 0
mol12020 O=C1c2ccccc2C(=O)C1c1cccc(Cl)c1 0 0