pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.53	OCHEM	0	-1	NCCCC[C@@H]([NH3+])C(=O)[O-],N[C@H](CCCC[NH3+])C(=O)[O-]	NCCCC[C@@H](N)C(=O)[O-]	mol33016	NCCCCC(N)C(=O)O
2.17	OCHEM	2	1	[NH3+]CCCC[C@@H]([NH3+])C(=O)O	[NH3+]CCCC[C@@H]([NH3+])C(=O)[O-]	mol33016	NCCCCC(N)C(=O)O
2.1800000667572	QSARToolbox	2	1	[NH3+]CCCC[C@@H]([NH3+])C(=O)O	[NH3+]CCCC[C@@H]([NH3+])C(=O)[O-]	mol33016	NCCCCC(N)C(=O)O
2.15000009536743	QSARToolbox	2	1	[NH3+]CCCC[C@@H]([NH3+])C(=O)O	[NH3+]CCCC[C@@H]([NH3+])C(=O)[O-]	mol33016	NCCCCC(N)C(=O)O
2.16000008583069	QSARToolbox	2	1	[NH3+]CCCC[C@@H]([NH3+])C(=O)O	[NH3+]CCCC[C@@H]([NH3+])C(=O)[O-]	mol33016	NCCCCC(N)C(=O)O