pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.2	AttenGpKa training set	1	0	O=[N+]([O-])c1ccc(C(/N=N/c2ccccc2)=[NH+]\Nc2ccccc2)cc1,O=[N+]([O-])c1ccc(C(/N=[NH+]/c2ccccc2)=N\Nc2ccccc2)cc1,O=[N+]([O-])c1ccc(C(/N=N/c2ccccc2)=N\[NH2+]c2ccccc2)cc1	O=[N+]([O-])c1ccc(C(/N=N/c2ccccc2)=N\Nc2ccccc2)cc1	mol24979	O=[N+]([O-])c1ccc(C(/N=N/c2ccccc2)=N\Nc2ccccc2)cc1