pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.02	Datawarrior	1	0	C[NH+](C)[C@H]1CCC[C@@H]1C#N	CN(C)[C@H]1CCC[C@@H]1C#N	mol12963	CN(C)[C@H]1CCC[C@@H]1C#N
7.01999998092651	QSARToolbox	1	0	C[NH+](C)[C@H]1CCC[C@@H]1C#N	CN(C)[C@H]1CCC[C@@H]1C#N	mol12963	CN(C)[C@H]1CCC[C@@H]1C#N