pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.56	AttenGpKa training set	0	-1	C[C@@H](CC(=O)O)c1cccc(Br)c1	C[C@@H](CC(=O)[O-])c1cccc(Br)c1	mol23589	CC(CC(=O)O)c1cccc(Br)c1