pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.59999990463257	QSARToolbox	-1	-2	CC(=O)N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)[O-]	CC(=O)N[C@@H](Cc1cc(Br)c([O-])c(Br)c1)C(=O)[O-]	mol37435	CC(=O)N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)O