pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.7	Datawarrior	0	-1	Cn1nnc(N[N+](=O)[O-])n1	Cn1nnc([N-][N+](=O)[O-])n1	mol13012	Cn1nnc(N[N+](=O)[O-])n1
1.70000004768372	QSARToolbox	0	-1	Cn1nnc(N[N+](=O)[O-])n1	Cn1nnc([N-][N+](=O)[O-])n1	mol13012	Cn1nnc(N[N+](=O)[O-])n1
1.48	AttenGpKa training set	0	-1	Cn1nnc(N[N+](=O)[O-])n1	Cn1nnc([N-][N+](=O)[O-])n1	mol13012	Cn1nnc(N[N+](=O)[O-])n1
-4.73	AttenGpKa training set	1	0	Cn1nnc([NH2+][N+](=O)[O-])n1	Cn1nnc(N[N+](=O)[O-])n1	mol13012	Cn1nnc(N[N+](=O)[O-])n1