pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.0	OCHEM	1	0	c1cncc([C@@H]2CCCC[NH2+]2)c1	c1cncc([C@@H]2CCCCN2)c1	mol3592	c1cncc([C@@H]2CCCCN2)c1
8.7	OCHEM	1	0	c1cncc([C@@H]2CCCC[NH2+]2)c1	c1cncc([C@@H]2CCCCN2)c1	mol3592	c1cncc([C@@H]2CCCCN2)c1
8.48	Baltruschat ChEMBL	1	0	c1cncc([C@@H]2CCCC[NH2+]2)c1	c1cncc([C@@H]2CCCCN2)c1	mol3592	c1cncc([C@@H]2CCCCN2)c1
3.21	IUPAC digitized pKa	2	1	c1c[nH+]cc([C@@H]2CCCC[NH2+]2)c1	c1cncc([C@@H]2CCCC[NH2+]2)c1	mol3592	c1cncc([C@@H]2CCCCN2)c1
4.80999994277954	QSARToolbox	2	1	c1c[nH+]cc([C@@H]2CCCC[NH2+]2)c1	c1cncc([C@@H]2CCCC[NH2+]2)c1	mol3592	c1cncc([C@@H]2CCCCN2)c1