pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	Datawarrior	0	-1	N#CC(C#N)=C(C#N)Nc1ccc(C(=O)O)cc1	N#CC(C#N)=C(C#N)Nc1ccc(C(=O)[O-])cc1	mol14859	N#CC(C#N)=C(C#N)Nc1ccc(C(=O)O)cc1
4.1999998	OCHEM	0	-1	N#CC(C#N)=C(C#N)Nc1ccc(C(=O)O)cc1	N#CC(C#N)=C(C#N)Nc1ccc(C(=O)[O-])cc1	mol14859	N#CC(C#N)=C(C#N)Nc1ccc(C(=O)O)cc1
4.19999980926514	QSARToolbox	0	-1	N#CC(C#N)=C(C#N)Nc1ccc(C(=O)O)cc1	N#CC(C#N)=C(C#N)Nc1ccc(C(=O)[O-])cc1	mol14859	N#CC(C#N)=C(C#N)Nc1ccc(C(=O)O)cc1