pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.45	AttenGpKa training set	1	0	CCCCCC[N+](C)(C)O	CCCCCC[N+](C)(C)[O-]	mol27861	CCCCCC[N+](C)(C)O