pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.07	IUPAC digitized pKa	1	0	CCCCCCC[NH2+]c1ncccn1,CCCCCCCNc1nccc[nH+]1	CCCCCCCNc1ncccn1	mol4193	CCCCCCCNc1ncccn1
4.09	AttenGpKa training set	1	0	CCCCCCC[NH2+]c1ncccn1,CCCCCCCNc1nccc[nH+]1	CCCCCCCNc1ncccn1	mol4193	CCCCCCCNc1ncccn1