pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.47	OCHEM	0	-1	CC1=C(O)CCC1=O	CC1=C([O-])CCC1=O	mol21251	CC1=C(O)CCC1=O
4.59	AttenGpKa training set	0	-1	CC1=C(O)CCC1=O	CC1=C([O-])CCC1=O	mol21251	CC1=C(O)CCC1=O