pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.74	Datawarrior	0	-1	[NH3+]CCCCCCC#CC#CCCC(=O)[O-]	NCCCCCCC#CC#CCCC(=O)[O-]	mol14612	NCCCCCCC#CC#CCCC(=O)O
10.7399997711182	QSARToolbox	0	-1	[NH3+]CCCCCCC#CC#CCCC(=O)[O-]	NCCCCCCC#CC#CCCC(=O)[O-]	mol14612	NCCCCCCC#CC#CCCC(=O)O
4.21	Datawarrior	1	0	[NH3+]CCCCCCC#CC#CCCC(=O)O	[NH3+]CCCCCCC#CC#CCCC(=O)[O-]	mol14612	NCCCCCCC#CC#CCCC(=O)O
4.21000003814697	QSARToolbox	1	0	[NH3+]CCCCCCC#CC#CCCC(=O)O	[NH3+]CCCCCCC#CC#CCCC(=O)[O-]	mol14612	NCCCCCCC#CC#CCCC(=O)O