pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.9	AttenGpKa training set	0	-1	COC(=O)CNCC(=O)c1ccc(O)cc1	COC(=O)CNCC(=O)c1ccc([O-])cc1	mol30699	COC(=O)CNCC(=O)c1ccc(O)cc1
6.2	AttenGpKa training set	1	0	COC(=O)C[NH2+]CC(=O)c1ccc(O)cc1	COC(=O)CNCC(=O)c1ccc(O)cc1	mol30699	COC(=O)CNCC(=O)c1ccc(O)cc1