pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.05	AttenGpKa training set	0	-1	CC1=C/C(=C(\c2ccc(O)c(C)c2)c2ccccc2S(=O)(=O)O)C=CC1=O	CC1=C/C(=C(\c2ccc(O)c(C)c2)c2ccccc2S(=O)(=O)[O-])C=CC1=O	mol30978	CC1=C/C(=C(\c2ccc(O)c(C)c2)c2ccccc2S(=O)(=O)O)C=CC1=O
7.96	AttenGpKa training set	-1	-2	CC1=C/C(=C(\c2ccc(O)c(C)c2)c2ccccc2S(=O)(=O)[O-])C=CC1=O	CC1=C/C(=C(\c2ccc([O-])c(C)c2)c2ccccc2S(=O)(=O)[O-])C=CC1=O	mol30978	CC1=C/C(=C(\c2ccc(O)c(C)c2)c2ccccc2S(=O)(=O)O)C=CC1=O