pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.52	AttenGpKa training set	0	-1	COC(=O)[C@H]1CCCC1=O	COC(=O)[C@H]1CC[CH-]C1=O,COC(=O)[C-]1CCCC1=O	mol26812	COC(=O)C1CCCC1=O