pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.97	IUPAC digitized pKa	1	0	[NH3+]c1cccc2cc(O)ccc12	Nc1cccc2cc(O)ccc12	mol3529	Nc1cccc2cc(O)ccc12
3.97000002861023	QSARToolbox	1	0	[NH3+]c1cccc2cc(O)ccc12	Nc1cccc2cc(O)ccc12	mol3529	Nc1cccc2cc(O)ccc12