pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.95	IUPAC digitized pKa	0	-1	[NH3+]c1ccc2ccc(S(=O)(=O)[O-])cc2c1	Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1	mol5293	Nc1ccc2ccc(S(=O)(=O)O)cc2c1
3.95000004768372	QSARToolbox	0	-1	[NH3+]c1ccc2ccc(S(=O)(=O)[O-])cc2c1	Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1	mol5293	Nc1ccc2ccc(S(=O)(=O)O)cc2c1