pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.253	AttenGpKa training set	0	-1	CC1(C)CC(=O)C=C(O)C1	CC1(C)CC(=O)C=C([O-])C1	mol31144	CC1(C)CC(=O)C=C(O)C1
