pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.30000019073486	QSARToolbox	0	-1	O=[N+]([O-])N/C(=N\c1ccccc1)NCCNc1ccccc1	O=[N+]([O-])[N-]/C(=N\c1ccccc1)NCCNc1ccccc1	mol28135	O=[N+]([O-])N/C(=N\c1ccccc1)NCCNc1ccccc1
9.3	AttenGpKa training set	0	-1	O=[N+]([O-])N/C(=N\c1ccccc1)NCCNc1ccccc1	O=[N+]([O-])[N-]/C(=N\c1ccccc1)NCCNc1ccccc1	mol28135	O=[N+]([O-])N/C(=N\c1ccccc1)NCCNc1ccccc1