pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.08	Caine	0	-1	CC1CC(=O)CC(=O)C1	CC1CC(=O)[CH-]C(=O)C1	mol2728	CC1CC(=O)CC(=O)C1