pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.53	AttenGpKa training set	0	-1	C[C@@H](C(=O)O)[C@H](C(=O)O)c1ccccc1	C[C@@H](C(=O)[O-])[C@H](C(=O)O)c1ccccc1,C[C@@H](C(=O)O)[C@H](C(=O)[O-])c1ccccc1	mol22609	CC(C(=O)O)C(C(=O)O)c1ccccc1