pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.945	AttenGpKa training set	0	-1	[NH3+]c1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1,Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1	Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1	mol30759	Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1
8.94	AttenGpKa training set	-1	-2	Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1	Nc1ccc2cc(S(=O)(=O)[O-])cc([O-])c2c1	mol30759	Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1