pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.98	IUPAC digitized pKa	0	-1	CC(CCC(=O)O)([N+](=O)[O-])[N+](=O)[O-]	CC(CCC(=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	mol9422	CC(CCC(=O)O)([N+](=O)[O-])[N+](=O)[O-]
3.98000001907349	QSARToolbox	0	-1	CC(CCC(=O)O)([N+](=O)[O-])[N+](=O)[O-]	CC(CCC(=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	mol9422	CC(CCC(=O)O)([N+](=O)[O-])[N+](=O)[O-]