pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.36	AttenGpKa training set	1	0	CCCC[N+](O)(CCCC)CCCC	CCCC[N+]([O-])(CCCC)CCCC	mol24832	CCCC[N+](O)(CCCC)CCCC