pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-1.49	OCHEM	1	0	Cc1ncc([N+](=O)[O-])c[nH+]1	Cc1ncc([N+](=O)[O-])cn1	mol7505	Cc1ncc([N+](=O)[O-])cn1
1.49000000953674	QSARToolbox	1	0	Cc1ncc([N+](=O)[O-])c[nH+]1	Cc1ncc([N+](=O)[O-])cn1	mol7505	Cc1ncc([N+](=O)[O-])cn1
1.49	AttenGpKa training set	1	0	Cc1ncc([N+](=O)[O-])c[nH+]1	Cc1ncc([N+](=O)[O-])cn1	mol7505	Cc1ncc([N+](=O)[O-])cn1