pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.87	Datawarrior	0	-1	N#CC(C#N)Cc1ccc([N+](=O)[O-])cc1	N#C[C-](C#N)Cc1ccc([N+](=O)[O-])cc1	mol14347	N#CC(C#N)Cc1ccc([N+](=O)[O-])cc1
10.8999996185303	QSARToolbox	0	-1	N#CC(C#N)Cc1ccc([N+](=O)[O-])cc1	N#C[C-](C#N)Cc1ccc([N+](=O)[O-])cc1	mol14347	N#CC(C#N)Cc1ccc([N+](=O)[O-])cc1
10.8699998855591	QSARToolbox	0	-1	N#CC(C#N)Cc1ccc([N+](=O)[O-])cc1	N#C[C-](C#N)Cc1ccc([N+](=O)[O-])cc1	mol14347	N#CC(C#N)Cc1ccc([N+](=O)[O-])cc1