pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.32	IUPAC digitized pKa	0	-1	[NH3+]C(C(=O)[O-])C(=O)O	[NH3+]C(C(=O)[O-])C(=O)[O-]	mol9035	NC(C(=O)O)C(=O)O
3.3199999332428	QSARToolbox	0	-1	[NH3+]C(C(=O)[O-])C(=O)O	[NH3+]C(C(=O)[O-])C(=O)[O-]	mol9035	NC(C(=O)O)C(=O)O
3.23	AttenGpKa training set	0	-1	[NH3+]C(C(=O)[O-])C(=O)O	[NH3+]C(C(=O)[O-])C(=O)[O-]	mol9035	NC(C(=O)O)C(=O)O
9.83	IUPAC digitized pKa	-1	-2	[NH3+]C(C(=O)[O-])C(=O)[O-]	NC(C(=O)[O-])C(=O)[O-]	mol9035	NC(C(=O)O)C(=O)O
9.82999992370606	QSARToolbox	-1	-2	[NH3+]C(C(=O)[O-])C(=O)[O-]	NC(C(=O)[O-])C(=O)[O-]	mol9035	NC(C(=O)O)C(=O)O