pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.65	Datawarrior	1	0	[NH3+]CCCCCCCCCCCC(=O)O	[NH3+]CCCCCCCCCCCC(=O)[O-]	mol14286	NCCCCCCCCCCCC(=O)O
4.6500001	OCHEM	1	0	[NH3+]CCCCCCCCCCCC(=O)O	[NH3+]CCCCCCCCCCCC(=O)[O-]	mol14286	NCCCCCCCCCCCC(=O)O
4.648	OCHEM	1	0	[NH3+]CCCCCCCCCCCC(=O)O	[NH3+]CCCCCCCCCCCC(=O)[O-]	mol14286	NCCCCCCCCCCCC(=O)O
4.65000009536743	QSARToolbox	1	0	[NH3+]CCCCCCCCCCCC(=O)O	[NH3+]CCCCCCCCCCCC(=O)[O-]	mol14286	NCCCCCCCCCCCC(=O)O
4.64799976348877	QSARToolbox	1	0	[NH3+]CCCCCCCCCCCC(=O)O	[NH3+]CCCCCCCCCCCC(=O)[O-]	mol14286	NCCCCCCCCCCCC(=O)O