pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.98	IUPAC digitized pKa	1	0	CC(C)c1c[nH+]ccc1N,CC(C)c1cnccc1[NH3+]	CC(C)c1cnccc1N	mol3612	CC(C)c1cnccc1N
9.59	IUPAC digitized pKa	1	0	CC(C)c1c[nH+]ccc1N,CC(C)c1cnccc1[NH3+]	CC(C)c1cnccc1N	mol3612	CC(C)c1cnccc1N
9.13	IUPAC digitized pKa	1	0	CC(C)c1c[nH+]ccc1N,CC(C)c1cnccc1[NH3+]	CC(C)c1cnccc1N	mol3612	CC(C)c1cnccc1N
9.54	OCHEM	1	0	CC(C)c1c[nH+]ccc1N,CC(C)c1cnccc1[NH3+]	CC(C)c1cnccc1N	mol3612	CC(C)c1cnccc1N
9.59000015258789	QSARToolbox	1	0	CC(C)c1c[nH+]ccc1N,CC(C)c1cnccc1[NH3+]	CC(C)c1cnccc1N	mol3612	CC(C)c1cnccc1N