pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.09999990463257	QSARToolbox	0	-1	O=C([O-])[C@H]1[NH2+]C[C@@H]2C(O)=NO[C@@H]21	O=C([O-])[C@H]1NC[C@@H]2C(O)=NO[C@@H]21,O=C([O-])[C@H]1[NH2+]C[C@@H]2C([O-])=NO[C@@H]21	mol37826	O=C(O)[C@H]1NC[C@@H]2C(O)=NO[C@@H]21
1.89999997615814	QSARToolbox	1	0	O=C(O)[C@H]1[NH2+]C[C@@H]2C(O)=NO[C@@H]21,O=C(O)[C@H]1NC[C@@H]2C(O)=[NH+]O[C@@H]21,O=C([O-])[C@H]1[NH2+]C[C@@H]2C(O)=[NH+]O[C@@H]21	O=C([O-])[C@H]1[NH2+]C[C@@H]2C(O)=NO[C@@H]21	mol37826	O=C(O)[C@H]1NC[C@@H]2C(O)=NO[C@@H]21