pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.69	IUPAC digitized pKa	0	-1	[NH3+]c1cccc2c(S(=O)(=O)[O-])cccc12	Nc1cccc2c(S(=O)(=O)[O-])cccc12	mol5285	Nc1cccc2c(S(=O)(=O)O)cccc12
3.69000005722046	QSARToolbox	0	-1	[NH3+]c1cccc2c(S(=O)(=O)[O-])cccc12	Nc1cccc2c(S(=O)(=O)[O-])cccc12	mol5285	Nc1cccc2c(S(=O)(=O)O)cccc12