pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.0	AttenGpKa training set	0	-1	O=C(O)C(Br)(Br)C(=O)O	O=C([O-])C(Br)(Br)C(=O)O	mol22641	O=C(O)C(Br)(Br)C(=O)O
2.0	AttenGpKa training set	-1	-2	O=C([O-])C(Br)(Br)C(=O)O	O=C([O-])C(Br)(Br)C(=O)[O-]	mol22641	O=C(O)C(Br)(Br)C(=O)O