pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.42	IUPAC digitized pKa	0	-1	CCCC(=O)O[C@H](COC(=O)CC)CO[P@](=O)(O)OC[C@H]([NH3+])C(=O)[O-],CCCC(=O)O[C@H](COC(=O)CC)CO[P@](=O)([O-])OC[C@H]([NH3+])C(=O)O	CCCC(=O)O[C@H](COC(=O)CC)CO[P@](=O)([O-])OC[C@H]([NH3+])C(=O)[O-]	mol12331	CCCC(=O)O[C@H](COC(=O)CC)COP(=O)(O)OC[C@H](N)C(=O)O
9.93	IUPAC digitized pKa	-1	-2	CCCC(=O)O[C@H](COC(=O)CC)CO[P@](=O)([O-])OC[C@H]([NH3+])C(=O)[O-]	CCCC(=O)O[C@H](COC(=O)CC)CO[P@](=O)([O-])OC[C@H](N)C(=O)[O-]	mol12331	CCCC(=O)O[C@H](COC(=O)CC)COP(=O)(O)OC[C@H](N)C(=O)O