pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.89	AttenGpKa training set	0	-1	CC(C)(C)C#CC#CC(=O)O	CC(C)(C)C#CC#CC(=O)[O-]	mol22315	CC(C)(C)C#CC#CC(=O)O