pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.33	IUPAC digitized pKa	1	0	CC(C)=[NH+]NC(N)=O	CC(C)=NNC(N)=O	mol8791	CC(C)=NNC(N)=O
2.5	AttenGpKa training set	1	0	CC(C)=[NH+]NC(N)=O	CC(C)=NNC(N)=O	mol8791	CC(C)=NNC(N)=O