pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.65	AttenGpKa training set	-2	-3	O=C1c2ccc([S@](=O)[O-])cc2-c2ccccc2C1([O-])O	O=C1c2ccc([S@](=O)[O-])cc2-c2ccccc2C1([O-])[O-]	mol31282	O=C1c2ccc(S(=O)O)cc2-c2ccccc2C1(O)O