pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.0	QSARToolbox	2	1	C[C@H](NC(=O)[C@H]([NH3+])CCCC[NH3+])C(=O)O	C[C@H](NC(=O)[C@H]([NH3+])CCCC[NH3+])C(=O)[O-]	mol38575	CC(NC(=O)C(N)CCCCN)C(=O)O
3.22000002861023	QSARToolbox	2	1	C[C@H](NC(=O)[C@H]([NH3+])CCCC[NH3+])C(=O)O	C[C@H](NC(=O)[C@H]([NH3+])CCCC[NH3+])C(=O)[O-]	mol38575	CC(NC(=O)C(N)CCCCN)C(=O)O