pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.94	Datawarrior	1	0	[NH2+]=C(Nc1ccccc1)Nc1ccccc1	N=C(Nc1ccccc1)Nc1ccccc1	mol14591	N=C(Nc1ccccc1)Nc1ccccc1
9.9399996	OCHEM	1	0	[NH2+]=C(Nc1ccccc1)Nc1ccccc1	N=C(Nc1ccccc1)Nc1ccccc1	mol14591	N=C(Nc1ccccc1)Nc1ccccc1
10.3	OCHEM	1	0	[NH2+]=C(Nc1ccccc1)Nc1ccccc1	N=C(Nc1ccccc1)Nc1ccccc1	mol14591	N=C(Nc1ccccc1)Nc1ccccc1
10.02	AttenGpKa training set	1	0	[NH2+]=C(Nc1ccccc1)Nc1ccccc1	N=C(Nc1ccccc1)Nc1ccccc1	mol14591	N=C(Nc1ccccc1)Nc1ccccc1