pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	AttenGpKa training set	0	-1	CC(C)[C@@H]1C(=O)CC(=O)C1=O	CC(C)[C@@H]1C(=O)[CH-]C(=O)C1=O	mol26833	CC(C)C1C(=O)CC(=O)C1=O