pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.27	AttenGpKa training set	0	-1	O=C1O[C@@H](O)[C@H](Br)[C@H]1Br	O=C1O[C@@H]([O-])[C@H](Br)[C@H]1Br	mol30297	O=C1OC(O)C(Br)C1Br