pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.71999979019165	QSARToolbox	0	-1	[O-][N+](O)=C(c1ccc(Br)cc1)[C@@H](O)c1ccccc1	[O-][N+]([O-])=C(c1ccc(Br)cc1)[C@@H](O)c1ccccc1	mol36772	[O-][N+](O)=C(c1ccc(Br)cc1)C(O)c1ccccc1