pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.27	AttenGpKa training set	0	-1	O=C(O)C[C@H]1C(=O)O[C@@H]2CCC[C@@H]21	O=C([O-])C[C@H]1C(=O)O[C@@H]2CCC[C@@H]21	mol22414	O=C(O)CC1C(=O)O[C@@H]2CCC[C@H]12