pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.855	AttenGpKa training set	1	0	CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+](O)C1,CNC1=[NH+]c2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1	CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1	mol30321	CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+](O)C1