pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.21	IUPAC digitized pKa	2	1	CCCCCCC[NH+](CC[N+]1(C)CCCCC1)c1ccccc1	CCCCCCCN(CC[N+]1(C)CCCCC1)c1ccccc1	mol1680	CCCCCCCN(CC[N+]1(C)CCCCC1)c1ccccc1