pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.1399998664856	QSARToolbox	-2	-3	O=P([O-])(O)OC1[C@H](OP(=O)([O-])O)CNC[C@H]1OP(=O)(O)O,O=P([O-])([O-])OC1[C@H](OP(=O)([O-])O)C[NH2+]C[C@H]1OP(=O)(O)O,O=P([O-])(O)O[C@@H]1CNC[C@@H](OP(=O)([O-])O)C1OP(=O)(O)O,O=P([O-])(O)OC1[C@H](OP(=O)([O-])O)C[NH2+]C[C@H]1OP(=O)([O-])O,O=P([O-])([O-])O[C@@H]1C[NH2+]C[C@@H](OP(=O)([O-])O)C1OP(=O)(O)O	O=P([O-])([O-])O[C@@H]1C[NH2+]C[C@@H](OP(=O)([O-])O)C1OP(=O)([O-])O,O=P([O-])([O-])OC1[C@H](OP(=O)([O-])O)C[NH2+]C[C@H]1OP(=O)([O-])O,O=P([O-])([O-])O[C@@H]1C[NH2+]C[C@@H](OP(=O)([O-])[O-])C1OP(=O)(O)O,O=P([O-])([O-])OC1[C@H](OP(=O)([O-])[O-])C[NH2+]C[C@H]1OP(=O)(O)O	mol37180	O=P(O)(O)OC1[C@H](OP(=O)(O)O)CNC[C@H]1OP(=O)(O)O