pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.44	Datawarrior	0	-1	c1c[nH]c(P(c2ncc[nH]2)c2ncc[nH]2)n1	c1c[n-]c(P(c2ncc[nH]2)c2ncc[nH]2)n1	mol14508	c1c[nH]c(P(c2ncc[nH]2)c2ncc[nH]2)n1
7.4400001	OCHEM	0	-1	c1c[nH]c(P(c2ncc[nH]2)c2ncc[nH]2)n1	c1c[n-]c(P(c2ncc[nH]2)c2ncc[nH]2)n1	mol14508	c1c[nH]c(P(c2ncc[nH]2)c2ncc[nH]2)n1
5.26	Datawarrior	-1	-2	c1c[n-]c(P(c2ncc[nH]2)c2ncc[nH]2)n1	c1c[n-]c(P(c2ncc[n-]2)c2ncc[nH]2)n1	mol14508	c1c[nH]c(P(c2ncc[nH]2)c2ncc[nH]2)n1
6.59	Datawarrior	-1	-2	c1c[n-]c(P(c2ncc[nH]2)c2ncc[nH]2)n1	c1c[n-]c(P(c2ncc[n-]2)c2ncc[nH]2)n1	mol14508	c1c[nH]c(P(c2ncc[nH]2)c2ncc[nH]2)n1
5.26000022888184	QSARToolbox	-1	-2	c1c[n-]c(P(c2ncc[nH]2)c2ncc[nH]2)n1	c1c[n-]c(P(c2ncc[n-]2)c2ncc[nH]2)n1	mol14508	c1c[nH]c(P(c2ncc[nH]2)c2ncc[nH]2)n1