pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.0	QSARToolbox	0	-1	O=[N+]([O-])NCN[N+](=O)[O-]	O=[N+]([O-])[N-]CN[N+](=O)[O-]	mol27852	O=[N+]([O-])NCN[N+](=O)[O-]
4.985	AttenGpKa training set	0	-1	O=[N+]([O-])NCN[N+](=O)[O-]	O=[N+]([O-])[N-]CN[N+](=O)[O-]	mol27852	O=[N+]([O-])NCN[N+](=O)[O-]
6.59999990463257	QSARToolbox	-1	-2	O=[N+]([O-])[N-]CN[N+](=O)[O-]	O=[N+]([O-])[N-]C[N-][N+](=O)[O-]	mol27852	O=[N+]([O-])NCN[N+](=O)[O-]