pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	AttenGpKa training set	0	-1	CCOC(=O)CCCCC(=O)O	CCOC(=O)CCCCC(=O)[O-]	mol22387	CCOC(=O)CCCCC(=O)O