pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.09	AttenGpKa training set	0	-1	O=C(O)[C@H]1C[C@@H]1Br	O=C([O-])[C@H]1C[C@@H]1Br	mol22353	O=C(O)[C@H]1C[C@@H]1Br