pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.81	IUPAC digitized pKa	0	-1	Nc1ccc(O)c([N+](=O)[O-])c1	Nc1ccc([O-])c([N+](=O)[O-])c1	mol6049	Nc1ccc(O)c([N+](=O)[O-])c1
7.8099999	OCHEM	0	-1	Nc1ccc(O)c([N+](=O)[O-])c1	Nc1ccc([O-])c([N+](=O)[O-])c1	mol6049	Nc1ccc(O)c([N+](=O)[O-])c1
7.80999994277954	QSARToolbox	0	-1	Nc1ccc(O)c([N+](=O)[O-])c1	Nc1ccc([O-])c([N+](=O)[O-])c1	mol6049	Nc1ccc(O)c([N+](=O)[O-])c1
7.7	AttenGpKa training set	0	-1	Nc1ccc(O)c([N+](=O)[O-])c1	Nc1ccc([O-])c([N+](=O)[O-])c1	mol6049	Nc1ccc(O)c([N+](=O)[O-])c1
3.6	AttenGpKa training set	1	0	[NH3+]c1ccc(O)c([N+](=O)[O-])c1	Nc1ccc(O)c([N+](=O)[O-])c1	mol6049	Nc1ccc(O)c([N+](=O)[O-])c1