pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.07000017166138	QSARToolbox	1	0	COc1c(N(C)C)cc(Cc2cnc(N)[nH+]c2N)cc1N(C)C(C)=O,COc1c(N(C)C)cc(Cc2cnc([NH3+])nc2N)cc1N(C)C(C)=O,COc1c(N(C)C(C)=O)cc(Cc2cnc(N)nc2N)cc1[NH+](C)C,COc1c(N(C)C)cc(Cc2cnc(N)nc2[NH3+])cc1N(C)C(C)=O,COc1c(N(C)C)cc(Cc2c[nH+]c(N)nc2N)cc1N(C)C(C)=O	COc1c(N(C)C)cc(Cc2cnc(N)nc2N)cc1N(C)C(C)=O	mol36698	COc1c(N(C)C)cc(Cc2cnc(N)nc2N)cc1N(C)C(C)=O