pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	IUPAC digitized pKa	1	0	C[NH+](C)CC#N	CN(C)CC#N	mol183	CN(C)CC#N
4.1	IUPAC digitized pKa	1	0	C[NH+](C)CC#N	CN(C)CC#N	mol183	CN(C)CC#N
4.5	Datawarrior	1	0	C[NH+](C)CC#N	CN(C)CC#N	mol183	CN(C)CC#N
4.15	OCHEM	1	0	C[NH+](C)CC#N	CN(C)CC#N	mol183	CN(C)CC#N
4.19999980926514	QSARToolbox	1	0	C[NH+](C)CC#N	CN(C)CC#N	mol183	CN(C)CC#N