pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.53	Datawarrior	0	-1	[NH3+]CCCCC#CC#CCCC(=O)[O-]	NCCCCC#CC#CCCC(=O)[O-]	mol13335	NCCCCC#CC#CCCC(=O)O
10.5299997329712	QSARToolbox	0	-1	[NH3+]CCCCC#CC#CCCC(=O)[O-]	NCCCCC#CC#CCCC(=O)[O-]	mol13335	NCCCCC#CC#CCCC(=O)O
4.15	Datawarrior	1	0	[NH3+]CCCCC#CC#CCCC(=O)O	[NH3+]CCCCC#CC#CCCC(=O)[O-]	mol13335	NCCCCC#CC#CCCC(=O)O
4.1500001	OCHEM	1	0	[NH3+]CCCCC#CC#CCCC(=O)O	[NH3+]CCCCC#CC#CCCC(=O)[O-]	mol13335	NCCCCC#CC#CCCC(=O)O