pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.45	AttenGpKa training set	0	-1	N#CCC(N)=O	N#C[CH-]C(N)=O,N#CCC([NH-])=O	mol27141	N#CCC(N)=O