pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.19	Datawarrior	0	-1	N#CC(C#N)C(c1ccccc1)C(C#N)C#N	N#C[C-](C#N)C(c1ccccc1)C(C#N)C#N	mol15232	N#CC(C#N)C(c1ccccc1)C(C#N)C#N
6.1900001	OCHEM	0	-1	N#CC(C#N)C(c1ccccc1)C(C#N)C#N	N#C[C-](C#N)C(c1ccccc1)C(C#N)C#N	mol15232	N#CC(C#N)C(c1ccccc1)C(C#N)C#N
6.19000005722046	QSARToolbox	0	-1	N#CC(C#N)C(c1ccccc1)C(C#N)C#N	N#C[C-](C#N)C(c1ccccc1)C(C#N)C#N	mol15232	N#CC(C#N)C(c1ccccc1)C(C#N)C#N