pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.17999982833862	QSARToolbox	1	0	COc1c(O)cc(Cc2cnc([NH3+])nc2N)cc1O,COc1c(O)cc(Cc2c[nH+]c(N)nc2N)cc1O,COc1c(O)cc(Cc2cnc(N)[nH+]c2N)cc1O,COc1c(O)cc(Cc2cnc(N)nc2[NH3+])cc1O	COc1c(O)cc(Cc2cnc(N)nc2N)cc1O,COc1c([O-])cc(Cc2c[nH+]c(N)nc2N)cc1O	mol36697	COc1c(O)cc(Cc2cnc(N)nc2N)cc1O