pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.97000026702881	QSARToolbox	0	-1	COC[C@@H]([NH3+])C(=O)[O-]	COC[C@@H](N)C(=O)[O-]	mol29304	COCC(N)C(=O)O
9.18	AttenGpKa training set	0	-1	COC[C@@H]([NH3+])C(=O)[O-]	COC[C@@H](N)C(=O)[O-]	mol29304	COCC(N)C(=O)O