pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.72000002861023	QSARToolbox	0	-1	Cn1nnnc1N[N+](=O)[O-]	Cn1nnnc1[N-][N+](=O)[O-]	mol25359	Cn1nnnc1N[N+](=O)[O-]
6.03999996185303	QSARToolbox	0	-1	Cn1nnnc1N[N+](=O)[O-]	Cn1nnnc1[N-][N+](=O)[O-]	mol25359	Cn1nnnc1N[N+](=O)[O-]
0.79	AttenGpKa training set	0	-1	Cn1nnnc1N[N+](=O)[O-]	Cn1nnnc1[N-][N+](=O)[O-]	mol25359	Cn1nnnc1N[N+](=O)[O-]
6.04	AttenGpKa training set	0	-1	Cn1nnnc1N[N+](=O)[O-]	Cn1nnnc1[N-][N+](=O)[O-]	mol25359	Cn1nnnc1N[N+](=O)[O-]
-5.83	AttenGpKa training set	1	0	Cn1nnnc1[NH2+][N+](=O)[O-]	Cn1nnnc1N[N+](=O)[O-]	mol25359	Cn1nnnc1N[N+](=O)[O-]