pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.9	AttenGpKa training set	-1	-2	C[C@H](OP(=O)([O-])[O-])[C@H]([NH3+])C(=O)O,C[C@H](OP(=O)([O-])O)[C@H]([NH3+])C(=O)[O-]	C[C@H](OP(=O)([O-])[O-])[C@H]([NH3+])C(=O)[O-]	mol28960	CC(OP(=O)(O)O)[C@H](N)C(=O)O