pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.97	AttenGpKa training set	0	-1	O=C([O-])CNC(=O)[C@@H]1CCC[NH2+]1	O=C([O-])CNC(=O)[C@@H]1CCCN1	mol29431	O=C(O)CNC(=O)C1CCCN1