pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.77	AttenGpKa training set	0	-1	O=C(O)CCCC(=O)c1ccccc1	O=C([O-])CCCC(=O)c1ccccc1	mol22433	O=C(O)CCCC(=O)c1ccccc1