pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.17000007629395	QSARToolbox	1	0	COc1cc(Cc2cnc([NH3+])nc2N)cc2c1OCO2,COc1cc(Cc2cnc(N)nc2[NH3+])cc2c1OCO2,COc1cc(Cc2cnc(N)[nH+]c2N)cc2c1OCO2,COc1cc(Cc2c[nH+]c(N)nc2N)cc2c1OCO2	COc1cc(Cc2cnc(N)nc2N)cc2c1OCO2	mol33979	COc1cc(Cc2cnc(N)nc2N)cc2c1OCO2