pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.94	IUPAC digitized pKa	1	0	[NH3+]c1ccc([N+](=O)[O-])cc1Cl	Nc1ccc([N+](=O)[O-])cc1Cl	mol1657	Nc1ccc([N+](=O)[O-])cc1Cl
-0.939999997615814	QSARToolbox	1	0	[NH3+]c1ccc([N+](=O)[O-])cc1Cl	Nc1ccc([N+](=O)[O-])cc1Cl	mol1657	Nc1ccc([N+](=O)[O-])cc1Cl
-0.9	AttenGpKa training set	1	0	[NH3+]c1ccc([N+](=O)[O-])cc1Cl	Nc1ccc([N+](=O)[O-])cc1Cl	mol1657	Nc1ccc([N+](=O)[O-])cc1Cl