pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.42999994754791	QSARToolbox	0	-1	O=C(O)[C@@H](Br)[C@H](Br)C(=O)O	O=C([O-])[C@@H](Br)[C@H](Br)C(=O)O	mol37241	O=C(O)[C@@H](Br)[C@H](Br)C(=O)O
1.48000001907349	QSARToolbox	0	-1	O=C(O)[C@@H](Br)[C@H](Br)C(=O)O	O=C([O-])[C@@H](Br)[C@H](Br)C(=O)O	mol37241	O=C(O)[C@@H](Br)[C@H](Br)C(=O)O
3.24000000953674	QSARToolbox	-1	-2	O=C([O-])[C@@H](Br)[C@H](Br)C(=O)O	O=C([O-])[C@@H](Br)[C@H](Br)C(=O)[O-]	mol37241	O=C(O)[C@@H](Br)[C@H](Br)C(=O)O