pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.97	IUPAC digitized pKa	1	0	CCCNCC[NH2+]CCC	CCCNCCNCCC	mol3125	CCCNCCNCCC
10.27	IUPAC digitized pKa	1	0	CCCNCC[NH2+]CCC	CCCNCCNCCC	mol3125	CCCNCCNCCC
10.0	OCHEM	1	0	CCCNCC[NH2+]CCC	CCCNCCNCCC	mol3125	CCCNCCNCCC
10.62	AttenGpKa training set	1	0	CCCNCC[NH2+]CCC	CCCNCCNCCC	mol3125	CCCNCCNCCC
8.14	IUPAC digitized pKa	2	1	CCC[NH2+]CC[NH2+]CCC	CCCNCC[NH2+]CCC	mol3125	CCCNCCNCCC
7.53	IUPAC digitized pKa	2	1	CCC[NH2+]CC[NH2+]CCC	CCCNCC[NH2+]CCC	mol3125	CCCNCCNCCC
7.8	OCHEM	2	1	CCC[NH2+]CC[NH2+]CCC	CCCNCC[NH2+]CCC	mol3125	CCCNCCNCCC
7.835	AttenGpKa training set	2	1	CCC[NH2+]CC[NH2+]CCC	CCCNCC[NH2+]CCC	mol3125	CCCNCCNCCC