Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol10821 O=S(=O)(O)CCCNCCNCCCS(=O)(=O)O 3 3
mol10822 CCP(=O)(CC)NP(=O)(CC)CC 2 2
mol10823 CCOP(=O)(NP(=O)(OCC)OCC)OCC 2 2
mol10824 N#[N+]c1ccc(CC(=O)O)cc1 2 2
mol10825 O=[N+]([O-])c1ccc(P(=O)(O)OCC(F)(F)F)cc1 2 2
mol10826 O=C1CC(=O)c2ccccc21 2 2
mol10827 O=C(O)C#Cc1ccccc1 2 2
mol10828 O=c1ccoc2cccc(O)c12 2 2
mol10829 O=C1c2ccccc2C(=O)C1(O)O 2 2
mol10830 O=C(O)c1cccc(C(=O)O)c1C(=O)O 4 6
mol10831 O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1 4 8
mol10832 O=C(O)c1cccc(O)c(=O)c1C(=O)O 4 5
mol10833 O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1O 4 8
mol10834 O=C(O)c1cc(C(=O)O)c(O)c(C(=O)O)c1 4 6
mol10835 N#Cc1ccc2[nH]ccc2c1 2 2
mol10836 Cc1cc2c(O)cccc2o1 0 0
mol10837 Cc1coc2cccc(O)c12 0 0
mol10838 O=C1CCc2cc(O)ccc21 2 2
mol10839 O=C1CCc2cccc(O)c21 2 2
mol10840 O=C(O)/C=C\c1ccccc1 2 2