pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.84999990463257	QSARToolbox	3	2	[NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H](CCCC[NH3+])C(=O)O	[NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	mol38536	NCCCCC(N)C(=O)NC(CCCCN)C(=O)O
3.00999999046326	QSARToolbox	3	2	[NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H](CCCC[NH3+])C(=O)O	[NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	mol38536	NCCCCC(N)C(=O)NC(CCCCN)C(=O)O