pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.03	IUPAC digitized pKa	1	0	[NH3+]CCc1ccccn1	NCCc1ccccn1	mol1742	NCCc1ccccn1
9.75	IUPAC digitized pKa	1	0	[NH3+]CCc1ccccn1	NCCc1ccccn1	mol1742	NCCc1ccccn1
9.52	IUPAC digitized pKa	1	0	[NH3+]CCc1ccccn1	NCCc1ccccn1	mol1742	NCCc1ccccn1
9.17	IUPAC digitized pKa	1	0	[NH3+]CCc1ccccn1	NCCc1ccccn1	mol1742	NCCc1ccccn1
9.59	IUPAC digitized pKa	1	0	[NH3+]CCc1ccccn1	NCCc1ccccn1	mol1742	NCCc1ccccn1
9.51	Datawarrior	1	0	[NH3+]CCc1ccccn1	NCCc1ccccn1	mol1742	NCCc1ccccn1
9.78	OCHEM	1	0	[NH3+]CCc1ccccn1	NCCc1ccccn1	mol1742	NCCc1ccccn1
9.5100002	OCHEM	1	0	[NH3+]CCc1ccccn1	NCCc1ccccn1	mol1742	NCCc1ccccn1
3.94	IUPAC digitized pKa	2	1	[NH3+]CCc1cccc[nH+]1	[NH3+]CCc1ccccn1	mol1742	NCCc1ccccn1
3.78	IUPAC digitized pKa	2	1	[NH3+]CCc1cccc[nH+]1	[NH3+]CCc1ccccn1	mol1742	NCCc1ccccn1
3.84	IUPAC digitized pKa	2	1	[NH3+]CCc1cccc[nH+]1	[NH3+]CCc1ccccn1	mol1742	NCCc1ccccn1
3.61	IUPAC digitized pKa	2	1	[NH3+]CCc1cccc[nH+]1	[NH3+]CCc1ccccn1	mol1742	NCCc1ccccn1
3.8	IUPAC digitized pKa	2	1	[NH3+]CCc1cccc[nH+]1	[NH3+]CCc1ccccn1	mol1742	NCCc1ccccn1
3.92	IUPAC digitized pKa	2	1	[NH3+]CCc1cccc[nH+]1	[NH3+]CCc1ccccn1	mol1742	NCCc1ccccn1
3.93	Datawarrior	2	1	[NH3+]CCc1cccc[nH+]1	[NH3+]CCc1ccccn1	mol1742	NCCc1ccccn1
3.60999989509583	QSARToolbox	2	1	[NH3+]CCc1cccc[nH+]1	[NH3+]CCc1ccccn1	mol1742	NCCc1ccccn1