pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.85	IUPAC digitized pKa	0	-1	CC(=O)O[C@H](C(=O)O)C(C)([N+](=O)[O-])[N+](=O)[O-]	CC(=O)O[C@H](C(=O)[O-])C(C)([N+](=O)[O-])[N+](=O)[O-]	mol9758	CC(=O)OC(C(=O)O)C(C)([N+](=O)[O-])[N+](=O)[O-]
1.85000002384186	QSARToolbox	0	-1	CC(=O)O[C@H](C(=O)O)C(C)([N+](=O)[O-])[N+](=O)[O-]	CC(=O)O[C@H](C(=O)[O-])C(C)([N+](=O)[O-])[N+](=O)[O-]	mol9758	CC(=O)OC(C(=O)O)C(C)([N+](=O)[O-])[N+](=O)[O-]