pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.96000003814697	QSARToolbox	-2	-3	O=C([O-])C[C@H](NCC[NH2+][C@@H](Cc1c[nH]cn1)C(=O)[O-])C(=O)[O-],O=C([O-])C[C@H]([NH2+]CCN[C@@H](Cc1c[nH]cn1)C(=O)[O-])C(=O)[O-],O=C([O-])C[C@H](NCCN[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-])C(=O)[O-]	O=C([O-])C[C@H](NCCN[C@@H](Cc1c[nH]cn1)C(=O)[O-])C(=O)[O-]	mol36305	O=C(O)C[C@H](NCCN[C@@H](Cc1c[nH]cn1)C(=O)O)C(=O)O