pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.36000001430511	QSARToolbox	2	1	C[C@@H]([NH2+][C@@H](CCCNC(N)=[NH2+])C(=O)O)C(=O)O	C[C@@H]([NH2+][C@@H](CCCNC(N)=[NH2+])C(=O)[O-])C(=O)O,C[C@@H]([NH2+][C@@H](CCCNC(N)=[NH2+])C(=O)O)C(=O)[O-]	mol37649	C[C@@H](N[C@@H](CCCNC(=N)N)C(=O)O)C(=O)O
2.40000009536743	QSARToolbox	2	1	C[C@@H]([NH2+][C@@H](CCCNC(N)=[NH2+])C(=O)O)C(=O)O	C[C@@H]([NH2+][C@@H](CCCNC(N)=[NH2+])C(=O)[O-])C(=O)O,C[C@@H]([NH2+][C@@H](CCCNC(N)=[NH2+])C(=O)O)C(=O)[O-]	mol37649	C[C@@H](N[C@@H](CCCNC(=N)N)C(=O)O)C(=O)O