pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.01	IUPAC digitized pKa	1	0	COc1ccc2cnc(N)[nH+]c2c1,COc1ccc2cnc([NH3+])nc2c1,COc1ccc2c[nH+]c(N)nc2c1	COc1ccc2cnc(N)nc2c1	mol7839	COc1ccc2cnc(N)nc2c1
5.09999990463257	QSARToolbox	1	0	COc1ccc2cnc(N)[nH+]c2c1,COc1ccc2cnc([NH3+])nc2c1,COc1ccc2c[nH+]c(N)nc2c1	COc1ccc2cnc(N)nc2c1	mol7839	COc1ccc2cnc(N)nc2c1