pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.47	IUPAC digitized pKa	1	0	Cc1[nH+]c(N)nc(N)c1Oc1ccccc1,Cc1nc(N)nc([NH3+])c1Oc1ccccc1,Cc1nc([NH3+])nc(N)c1Oc1ccccc1,Cc1nc(N)[nH+]c(N)c1Oc1ccccc1	Cc1nc(N)nc(N)c1Oc1ccccc1	mol7307	Cc1nc(N)nc(N)c1Oc1ccccc1
6.46999979019165	QSARToolbox	1	0	Cc1[nH+]c(N)nc(N)c1Oc1ccccc1,Cc1nc(N)nc([NH3+])c1Oc1ccccc1,Cc1nc([NH3+])nc(N)c1Oc1ccccc1,Cc1nc(N)[nH+]c(N)c1Oc1ccccc1	Cc1nc(N)nc(N)c1Oc1ccccc1	mol7307	Cc1nc(N)nc(N)c1Oc1ccccc1