pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.04	IUPAC digitized pKa	1	0	CCCNCC[NH3+],CCC[NH2+]CCN	CCCNCCN	mol3109	CCCNCCN
10.34	IUPAC digitized pKa	1	0	CCCNCC[NH3+],CCC[NH2+]CCN	CCCNCCN	mol3109	CCCNCCN
10.32	AttenGpKa training set	1	0	CCCNCC[NH3+],CCC[NH2+]CCN	CCCNCCN	mol3109	CCCNCCN
8.24	IUPAC digitized pKa	2	1	CCC[NH2+]CC[NH3+]	CCCNCC[NH3+],CCC[NH2+]CCN	mol3109	CCCNCCN
7.54	IUPAC digitized pKa	2	1	CCC[NH2+]CC[NH3+]	CCCNCC[NH3+],CCC[NH2+]CCN	mol3109	CCCNCCN