pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.6	AttenGpKa training set	-1	-2	CC(=O)CS(=O)(=O)[O-]	CC(=O)[CH-]S(=O)(=O)[O-]	mol26802	CC(=O)CS(=O)(=O)O