pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.0900000333786	QSARToolbox	0	-1	O=C(O)[C@H](Cl)Br	O=C([O-])[C@H](Cl)Br	mol36335	O=C(O)[C@H](Cl)Br