pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.89	IUPAC digitized pKa	0	-1	[NH3+]c1ccc2cccc(S(=O)(=O)[O-])c2c1	Nc1ccc2cccc(S(=O)(=O)[O-])c2c1	mol5294	Nc1ccc2cccc(S(=O)(=O)O)c2c1
3.89000010490417	QSARToolbox	0	-1	[NH3+]c1ccc2cccc(S(=O)(=O)[O-])c2c1	Nc1ccc2cccc(S(=O)(=O)[O-])c2c1	mol5294	Nc1ccc2cccc(S(=O)(=O)O)c2c1