pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.06	IUPAC digitized pKa	0	-1	O=[N+]([O-])C([N+](=O)[O-])[N+](=O)[O-]	O=[N+]([O-])[C-]([N+](=O)[O-])[N+](=O)[O-]	mol8901	O=[N+]([O-])C([N+](=O)[O-])[N+](=O)[O-]
0.05	IUPAC digitized pKa	0	-1	O=[N+]([O-])C([N+](=O)[O-])[N+](=O)[O-]	O=[N+]([O-])[C-]([N+](=O)[O-])[N+](=O)[O-]	mol8901	O=[N+]([O-])C([N+](=O)[O-])[N+](=O)[O-]
0.23	IUPAC digitized pKa	0	-1	O=[N+]([O-])C([N+](=O)[O-])[N+](=O)[O-]	O=[N+]([O-])[C-]([N+](=O)[O-])[N+](=O)[O-]	mol8901	O=[N+]([O-])C([N+](=O)[O-])[N+](=O)[O-]
0.17	IUPAC digitized pKa	0	-1	O=[N+]([O-])C([N+](=O)[O-])[N+](=O)[O-]	O=[N+]([O-])[C-]([N+](=O)[O-])[N+](=O)[O-]	mol8901	O=[N+]([O-])C([N+](=O)[O-])[N+](=O)[O-]
0.11	IUPAC digitized pKa	0	-1	O=[N+]([O-])C([N+](=O)[O-])[N+](=O)[O-]	O=[N+]([O-])[C-]([N+](=O)[O-])[N+](=O)[O-]	mol8901	O=[N+]([O-])C([N+](=O)[O-])[N+](=O)[O-]
0.02	IUPAC digitized pKa	0	-1	O=[N+]([O-])C([N+](=O)[O-])[N+](=O)[O-]	O=[N+]([O-])[C-]([N+](=O)[O-])[N+](=O)[O-]	mol8901	O=[N+]([O-])C([N+](=O)[O-])[N+](=O)[O-]
0.140000000596046	QSARToolbox	0	-1	O=[N+]([O-])C([N+](=O)[O-])[N+](=O)[O-]	O=[N+]([O-])[C-]([N+](=O)[O-])[N+](=O)[O-]	mol8901	O=[N+]([O-])C([N+](=O)[O-])[N+](=O)[O-]
0.600000023841858	QSARToolbox	0	-1	O=[N+]([O-])C([N+](=O)[O-])[N+](=O)[O-]	O=[N+]([O-])[C-]([N+](=O)[O-])[N+](=O)[O-]	mol8901	O=[N+]([O-])C([N+](=O)[O-])[N+](=O)[O-]
0.170000001788139	QSARToolbox	0	-1	O=[N+]([O-])C([N+](=O)[O-])[N+](=O)[O-]	O=[N+]([O-])[C-]([N+](=O)[O-])[N+](=O)[O-]	mol8901	O=[N+]([O-])C([N+](=O)[O-])[N+](=O)[O-]