pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.77	AttenGpKa training set	-2	-3	CCOCO[P@@](=O)([O-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O[P@](=O)([O-])OCC	CCOCO[P@@](=O)([O-])OC[C@H]1O[C@@H](n2cc(C)c(=O)[n-]c2=O)[C@H](O)[C@@H]1O[P@](=O)([O-])OCC	mol30134	CCOCOP(=O)(O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H]1OP(=O)(O)OCC