pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.8	AttenGpKa training set	1	0	CC(=[NH2+])/C(C#N)=N/Nc1ccccc1	CC(=N)/C(C#N)=N/Nc1ccccc1,[H]/N=C(C)/C(C#N)=N/Nc1ccccc1	mol24805	CC(=N)/C(C#N)=N/Nc1ccccc1