pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.0	IUPAC digitized pKa	1	0	CCC[NH2+]CCC	CCCNCCC	mol901	CCCNCCC
10.88	IUPAC digitized pKa	1	0	CCC[NH2+]CCC	CCCNCCC	mol901	CCCNCCC
11.02	Datawarrior	1	0	CCC[NH2+]CCC	CCCNCCC	mol901	CCCNCCC
10.91	OCHEM	1	0	CCC[NH2+]CCC	CCCNCCC	mol901	CCCNCCC
10.895	OCHEM	1	0	CCC[NH2+]CCC	CCCNCCC	mol901	CCCNCCC
10.955	AttenGpKa training set	1	0	CCC[NH2+]CCC	CCCNCCC	mol901	CCCNCCC