pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.90999984741211	QSARToolbox	-4	-5	O=P([O-])([O-])O[C@@H]1CCC[C@@H](OP(=O)([O-])O)C1OP(=O)([O-])O,O=P([O-])([O-])OC1[C@H](OP(=O)([O-])O)CCC[C@H]1OP(=O)([O-])O,O=P([O-])([O-])O[C@@H]1CCC[C@@H](OP(=O)([O-])[O-])C1OP(=O)(O)O,O=P([O-])([O-])OC1[C@H](OP(=O)([O-])[O-])CCC[C@H]1OP(=O)(O)O	O=P([O-])([O-])OC1[C@H](OP(=O)([O-])[O-])CCC[C@H]1OP(=O)([O-])O,O=P([O-])([O-])O[C@@H]1CCC[C@@H](OP(=O)([O-])[O-])C1OP(=O)([O-])O	mol37177	O=P(O)(O)OC1[C@H](OP(=O)(O)O)CCC[C@H]1OP(=O)(O)O