pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.4	AttenGpKa training set	0	-1	CCCCCN[N+](=O)[O-]	CCCCC[N-][N+](=O)[O-]	mol27848	CCCCCN[N+](=O)[O-]