pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.65999984741211	QSARToolbox	1	0	N[C@@H](Cc1ccccc1)C(=O)NCCCNC(=O)[C@@H]([NH3+])Cc1ccccc1	N[C@@H](Cc1ccccc1)C(=O)NCCCNC(=O)[C@@H](N)Cc1ccccc1	mol38063	N[C@@H](Cc1ccccc1)C(=O)NCCCNC(=O)[C@@H](N)Cc1ccccc1