pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.71000003814697	QSARToolbox	2	1	COc1ccc([NH+]=[NH+]c2c(C)nn(-c3ccccc3)c2N)cc1	COc1ccc(N=[NH+]c2c(C)nn(-c3ccccc3)c2N)cc1,COc1ccc(N=Nc2c(C)[nH+]n(-c3ccccc3)c2N)cc1,COc1ccc(N=Nc2c(C)nn(-c3ccccc3)c2[NH3+])cc1	mol34613	COc1ccc(N=Nc2c(C)nn(-c3ccccc3)c2N)cc1