pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.45	IUPAC digitized pKa	1	0	CN(C)c1ccc[nH+]c1,C[NH+](C)c1cccnc1	CN(C)c1cccnc1	mol6474	CN(C)c1cccnc1
6.46	IUPAC digitized pKa	1	0	CN(C)c1ccc[nH+]c1,C[NH+](C)c1cccnc1	CN(C)c1cccnc1	mol6474	CN(C)c1cccnc1
6.67	Datawarrior	1	0	CN(C)c1ccc[nH+]c1,C[NH+](C)c1cccnc1	CN(C)c1cccnc1	mol6474	CN(C)c1cccnc1
6.6700001	OCHEM	1	0	CN(C)c1ccc[nH+]c1,C[NH+](C)c1cccnc1	CN(C)c1cccnc1	mol6474	CN(C)c1cccnc1
6.67000007629395	QSARToolbox	1	0	CN(C)c1ccc[nH+]c1,C[NH+](C)c1cccnc1	CN(C)c1cccnc1	mol6474	CN(C)c1cccnc1
-1.91	Datawarrior	2	1	C[NH+](C)c1ccc[nH+]c1	CN(C)c1ccc[nH+]c1,C[NH+](C)c1cccnc1	mol6474	CN(C)c1cccnc1