pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.7	IUPAC digitized pKa	1	0	COc1cc(-c2cnc(N)nc2[NH3+])cc(OC)c1OC,COc1cc(-c2cnc(N)[nH+]c2N)cc(OC)c1OC,COc1cc(-c2c[nH+]c(N)nc2N)cc(OC)c1OC,COc1cc(-c2cnc([NH3+])nc2N)cc(OC)c1OC	COc1cc(-c2cnc(N)nc2N)cc(OC)c1OC	mol7323	COc1cc(-c2cnc(N)nc2N)cc(OC)c1OC
6.69999980926514	QSARToolbox	1	0	COc1cc(-c2cnc(N)nc2[NH3+])cc(OC)c1OC,COc1cc(-c2cnc(N)[nH+]c2N)cc(OC)c1OC,COc1cc(-c2c[nH+]c(N)nc2N)cc(OC)c1OC,COc1cc(-c2cnc([NH3+])nc2N)cc(OC)c1OC	COc1cc(-c2cnc(N)nc2N)cc(OC)c1OC	mol7323	COc1cc(-c2cnc(N)nc2N)cc(OC)c1OC