pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.5	AttenGpKa training set	0	-1	O=C(O)CCC(O)(O)C(=O)O	O=C(O)CCC(O)(O)C(=O)[O-],O=C([O-])CCC(O)(O)C(=O)O	mol22354	O=C(O)CCC(O)(O)C(=O)O