pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.52	Datawarrior	0	-1	[O-][n+]1ccc(NO)c2ccccc21	[O-]Nc1cc[n+]([O-])c2ccccc12	mol13761	[O-][n+]1ccc(NO)c2ccccc21
9.5200005	OCHEM	0	-1	[O-][n+]1ccc(NO)c2ccccc21	[O-]Nc1cc[n+]([O-])c2ccccc12	mol13761	[O-][n+]1ccc(NO)c2ccccc21
9.56	AttenGpKa training set	0	-1	[O-][n+]1ccc(NO)c2ccccc21	[O-]Nc1cc[n+]([O-])c2ccccc12	mol13761	[O-][n+]1ccc(NO)c2ccccc21