pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.58	AttenGpKa training set	0	-1	O=C(O)C(=O)[C@H]1CCCC[C@@H]1C(=O)O	O=C([O-])C(=O)[C@H]1CCCC[C@@H]1C(=O)O,O=C(O)C(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	mol22599	O=C(O)C(=O)C1CCCCC1C(=O)O