pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.895	AttenGpKa training set	0	-1	CC(C)(S)C(=O)O	CC(C)(S)C(=O)[O-]	mol22228	CC(C)(S)C(=O)O
11.32	AttenGpKa training set	-1	-2	CC(C)(S)C(=O)[O-]	CC(C)([S-])C(=O)[O-]	mol22228	CC(C)(S)C(=O)O