pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.17	IUPAC digitized pKa	1	0	COC(=O)CC[NH3+]	COC(=O)CCN	mol8492	COC(=O)CCN
8.804	IUPAC digitized pKa	1	0	COC(=O)CC[NH3+]	COC(=O)CCN	mol8492	COC(=O)CCN
8.454	IUPAC digitized pKa	1	0	COC(=O)CC[NH3+]	COC(=O)CCN	mol8492	COC(=O)CCN
9.13	AttenGpKa training set	1	0	COC(=O)CC[NH3+]	COC(=O)CCN	mol8492	COC(=O)CCN