pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.5	AttenGpKa training set	0	-1	CCCCCCCCN[N+](=O)[O-]	CCCCCCCC[N-][N+](=O)[O-]	mol27888	CCCCCCCCN[N+](=O)[O-]