pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.7	AttenGpKa training set	0	-1	CC(=O)C(C(C)=O)S(C)(=O)=O	CC(=O)[C-](C(C)=O)S(C)(=O)=O	mol26872	CC(=O)C(C(C)=O)S(C)(=O)=O