pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.81	AttenGpKa training set	0	-1	O=S1(=O)CCc2cc(O)ccc21	O=S1(=O)CCc2cc([O-])ccc21	mol10614	O=S1(=O)CCc2cc(O)ccc21