pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.97	IUPAC digitized pKa	0	-1	COC[C@H]([NH3+])C(=O)[O-]	COC[C@H](N)C(=O)[O-]	mol8443	COC[C@H](N)C(=O)O
9.05	AttenGpKa training set	0	-1	COC[C@H]([NH3+])C(=O)[O-]	COC[C@H](N)C(=O)[O-]	mol8443	COC[C@H](N)C(=O)O