pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.3	Datawarrior	1	0	[NH3+]c1c2ccccc2nc2cccc([N+](=O)[O-])c12,Nc1c2ccccc2[nH+]c2cccc([N+](=O)[O-])c12	Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12	mol14855	Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12
7.3000002	OCHEM	1	0	[NH3+]c1c2ccccc2nc2cccc([N+](=O)[O-])c12,Nc1c2ccccc2[nH+]c2cccc([N+](=O)[O-])c12	Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12	mol14855	Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12
7.30000019073486	QSARToolbox	1	0	[NH3+]c1c2ccccc2nc2cccc([N+](=O)[O-])c12,Nc1c2ccccc2[nH+]c2cccc([N+](=O)[O-])c12	Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12	mol14855	Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12
7.5	AttenGpKa training set	1	0	[NH3+]c1c2ccccc2nc2cccc([N+](=O)[O-])c12,Nc1c2ccccc2[nH+]c2cccc([N+](=O)[O-])c12	Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12	mol14855	Nc1c2ccccc2nc2cccc([N+](=O)[O-])c12