pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.55	IUPAC digitized pKa	1	0	[NH3+]c1cc(O)ccc1[N+](=O)[O-]	Nc1cc(O)ccc1[N+](=O)[O-]	mol6050	Nc1cc(O)ccc1[N+](=O)[O-]
-0.550000011920929	QSARToolbox	1	0	[NH3+]c1cc(O)ccc1[N+](=O)[O-]	Nc1cc(O)ccc1[N+](=O)[O-]	mol6050	Nc1cc(O)ccc1[N+](=O)[O-]
-0.61	AttenGpKa training set	1	0	[NH3+]c1cc(O)ccc1[N+](=O)[O-]	Nc1cc(O)ccc1[N+](=O)[O-]	mol6050	Nc1cc(O)ccc1[N+](=O)[O-]