pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.58	AttenGpKa training set	-2	-3	CCO[P@](=O)([O-])OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O[P@](=O)([O-])OCC	CCO[P@](=O)([O-])OC[C@H]1O[C@@H](n2ccc(=O)[n-]c2=O)C[C@@H]1O[P@](=O)([O-])OCC	mol30074	CCOP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1OP(=O)(O)OCC