pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.8	Datawarrior	2	1	CC[NH+](C)[NH+](C)CC	CCN(C)[NH+](C)CC	mol12458	CCN(C)N(C)CC
6.8000002	OCHEM	2	1	CC[NH+](C)[NH+](C)CC	CCN(C)[NH+](C)CC	mol12458	CCN(C)N(C)CC