pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.63	IUPAC digitized pKa	0	-1	O=[N+]([O-])C[N+](=O)[O-]	O=[N+]([O-])[CH-][N+](=O)[O-]	mol8902	O=[N+]([O-])C[N+](=O)[O-]
3.72	IUPAC digitized pKa	0	-1	O=[N+]([O-])C[N+](=O)[O-]	O=[N+]([O-])[CH-][N+](=O)[O-]	mol8902	O=[N+]([O-])C[N+](=O)[O-]
3.6	IUPAC digitized pKa	0	-1	O=[N+]([O-])C[N+](=O)[O-]	O=[N+]([O-])[CH-][N+](=O)[O-]	mol8902	O=[N+]([O-])C[N+](=O)[O-]
3.51	IUPAC digitized pKa	0	-1	O=[N+]([O-])C[N+](=O)[O-]	O=[N+]([O-])[CH-][N+](=O)[O-]	mol8902	O=[N+]([O-])C[N+](=O)[O-]
3.43	IUPAC digitized pKa	0	-1	O=[N+]([O-])C[N+](=O)[O-]	O=[N+]([O-])[CH-][N+](=O)[O-]	mol8902	O=[N+]([O-])C[N+](=O)[O-]
3.57	IUPAC digitized pKa	0	-1	O=[N+]([O-])C[N+](=O)[O-]	O=[N+]([O-])[CH-][N+](=O)[O-]	mol8902	O=[N+]([O-])C[N+](=O)[O-]
3.5699999332428	QSARToolbox	0	-1	O=[N+]([O-])C[N+](=O)[O-]	O=[N+]([O-])[CH-][N+](=O)[O-]	mol8902	O=[N+]([O-])C[N+](=O)[O-]
3.63000011444092	QSARToolbox	0	-1	O=[N+]([O-])C[N+](=O)[O-]	O=[N+]([O-])[CH-][N+](=O)[O-]	mol8902	O=[N+]([O-])C[N+](=O)[O-]
3.59999990463257	QSARToolbox	0	-1	O=[N+]([O-])C[N+](=O)[O-]	O=[N+]([O-])[CH-][N+](=O)[O-]	mol8902	O=[N+]([O-])C[N+](=O)[O-]