pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	IUPAC digitized pKa	0	-1	Cc1cc(C)c(/N=N/c2c(C)cc(O)cc2C)c(C)c1	Cc1cc(C)c(/N=N/c2c(C)cc([O-])cc2C)c(C)c1	mol1110	Cc1cc(C)c(/N=N/c2c(C)cc(O)cc2C)c(C)c1
8.2	Hunt	0	-1	Cc1cc(C)c(/N=N/c2c(C)cc(O)cc2C)c(C)c1	Cc1cc(C)c(/N=N/c2c(C)cc([O-])cc2C)c(C)c1	mol1110	Cc1cc(C)c(/N=N/c2c(C)cc(O)cc2C)c(C)c1
9.10000038146973	QSARToolbox	0	-1	Cc1cc(C)c(/N=N/c2c(C)cc(O)cc2C)c(C)c1	Cc1cc(C)c(/N=N/c2c(C)cc([O-])cc2C)c(C)c1	mol1110	Cc1cc(C)c(/N=N/c2c(C)cc(O)cc2C)c(C)c1
-1.3	AttenGpKa training set	2	1	Cc1cc(C)c(/[NH+]=[NH+]/c2c(C)cc(O)cc2C)c(C)c1	Cc1cc(C)c(/N=[NH+]/c2c(C)cc(O)cc2C)c(C)c1,Cc1cc(C)c(/[NH+]=N/c2c(C)cc(O)cc2C)c(C)c1	mol1110	Cc1cc(C)c(/N=N/c2c(C)cc(O)cc2C)c(C)c1