pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.6	AttenGpKa training set	0	-1	Cc1ccc(C(=O)S)cc1	Cc1ccc(C(=O)[S-])cc1	mol12932	Cc1ccc(C(=O)S)cc1