pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.27	Datawarrior	0	-1	[NH3+]CCC#CC#CCCC(=O)[O-]	NCCC#CC#CCCC(=O)[O-]	mol12890	NCCC#CC#CCCC(=O)O
9.2700005	OCHEM	0	-1	[NH3+]CCC#CC#CCCC(=O)[O-]	NCCC#CC#CCCC(=O)[O-]	mol12890	NCCC#CC#CCCC(=O)O
9.27000045776367	QSARToolbox	0	-1	[NH3+]CCC#CC#CCCC(=O)[O-]	NCCC#CC#CCCC(=O)[O-]	mol12890	NCCC#CC#CCCC(=O)O
4.12	Datawarrior	1	0	[NH3+]CCC#CC#CCCC(=O)O	[NH3+]CCC#CC#CCCC(=O)[O-]	mol12890	NCCC#CC#CCCC(=O)O
4.1199999	OCHEM	1	0	[NH3+]CCC#CC#CCCC(=O)O	[NH3+]CCC#CC#CCCC(=O)[O-]	mol12890	NCCC#CC#CCCC(=O)O