pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.7	IUPAC digitized pKa	1	0	Nc1ncc(-c2ccc([N+](=O)[O-])cc2)c[nH+]1,[NH3+]c1ncc(-c2ccc([N+](=O)[O-])cc2)cn1	Nc1ncc(-c2ccc([N+](=O)[O-])cc2)cn1	mol7109	Nc1ncc(-c2ccc([N+](=O)[O-])cc2)cn1
2.70000004768372	QSARToolbox	1	0	Nc1ncc(-c2ccc([N+](=O)[O-])cc2)c[nH+]1,[NH3+]c1ncc(-c2ccc([N+](=O)[O-])cc2)cn1	Nc1ncc(-c2ccc([N+](=O)[O-])cc2)cn1	mol7109	Nc1ncc(-c2ccc([N+](=O)[O-])cc2)cn1