pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	IUPAC digitized pKa	1	0	C[NH2+]Cc1ccccn1	CNCc1ccccn1	mol1277	CNCc1ccccn1
9.1	IUPAC digitized pKa	1	0	C[NH2+]Cc1ccccn1	CNCc1ccccn1	mol1277	CNCc1ccccn1
8.82	IUPAC digitized pKa	1	0	C[NH2+]Cc1ccccn1	CNCc1ccccn1	mol1277	CNCc1ccccn1
8.62	IUPAC digitized pKa	1	0	C[NH2+]Cc1ccccn1	CNCc1ccccn1	mol1277	CNCc1ccccn1
8.96	Datawarrior	1	0	C[NH2+]Cc1ccccn1	CNCc1ccccn1	mol1277	CNCc1ccccn1
9.200001	OCHEM	1	0	C[NH2+]Cc1ccccn1	CNCc1ccccn1	mol1277	CNCc1ccccn1
2.92	IUPAC digitized pKa	2	1	C[NH2+]Cc1cccc[nH+]1	C[NH2+]Cc1ccccn1	mol1277	CNCc1ccccn1
2.91	IUPAC digitized pKa	2	1	C[NH2+]Cc1cccc[nH+]1	C[NH2+]Cc1ccccn1	mol1277	CNCc1ccccn1
2.9	OCHEM	2	1	C[NH2+]Cc1cccc[nH+]1	C[NH2+]Cc1ccccn1	mol1277	CNCc1ccccn1
2.91000008583069	QSARToolbox	2	1	C[NH2+]Cc1cccc[nH+]1	C[NH2+]Cc1ccccn1	mol1277	CNCc1ccccn1
2.92000007629395	QSARToolbox	2	1	C[NH2+]Cc1cccc[nH+]1	C[NH2+]Cc1ccccn1	mol1277	CNCc1ccccn1