pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.86	Datawarrior	0	-1	N#CC[N+](=O)[O-]	N#C[CH-][N+](=O)[O-]	mol15870	N#CC[N+](=O)[O-]
4.8600001	OCHEM	0	-1	N#CC[N+](=O)[O-]	N#C[CH-][N+](=O)[O-]	mol15870	N#CC[N+](=O)[O-]
4.8600001335144	QSARToolbox	0	-1	N#CC[N+](=O)[O-]	N#C[CH-][N+](=O)[O-]	mol15870	N#CC[N+](=O)[O-]
3.63	AttenGpKa training set	0	-1	N#CC[N+](=O)[O-]	N#C[CH-][N+](=O)[O-]	mol15870	N#CC[N+](=O)[O-]