pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1000004	OCHEM	0	-1	Cc1cc(C)c(N=Nc2c(C)cc(O)cc2C)c(C)c1	Cc1cc(C)c(N=Nc2c(C)cc([O-])cc2C)c(C)c1	mol32358	Cc1cc(C)c(N=Nc2c(C)cc(O)cc2C)c(C)c1
9.10000038146973	QSARToolbox	0	-1	Cc1cc(C)c(N=Nc2c(C)cc(O)cc2C)c(C)c1	Cc1cc(C)c(N=Nc2c(C)cc([O-])cc2C)c(C)c1	mol32358	Cc1cc(C)c(N=Nc2c(C)cc(O)cc2C)c(C)c1
-1.3	OCHEM	2	1	Cc1cc(C)c([NH+]=[NH+]c2c(C)cc(O)cc2C)c(C)c1	Cc1cc(C)c([NH+]=Nc2c(C)cc(O)cc2C)c(C)c1,Cc1cc(C)c(N=[NH+]c2c(C)cc(O)cc2C)c(C)c1	mol32358	Cc1cc(C)c(N=Nc2c(C)cc(O)cc2C)c(C)c1
-1.29999995231628	QSARToolbox	2	1	Cc1cc(C)c([NH+]=[NH+]c2c(C)cc(O)cc2C)c(C)c1	Cc1cc(C)c([NH+]=Nc2c(C)cc(O)cc2C)c(C)c1,Cc1cc(C)c(N=[NH+]c2c(C)cc(O)cc2C)c(C)c1	mol32358	Cc1cc(C)c(N=Nc2c(C)cc(O)cc2C)c(C)c1