pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.5	IUPAC digitized pKa	1	0	CCCCCCCCCC[NH+](CCO)C[C@H](C)O	CCCCCCCCCCN(CCO)C[C@H](C)O	mol5939	CCCCCCCCCCN(CCO)CC(C)O
7.0	IUPAC digitized pKa	1	0	CCCCCCCCCC[NH+](CCO)C[C@H](C)O	CCCCCCCCCCN(CCO)C[C@H](C)O	mol5939	CCCCCCCCCCN(CCO)CC(C)O
6.6	IUPAC digitized pKa	1	0	CCCCCCCCCC[NH+](CCO)C[C@H](C)O	CCCCCCCCCCN(CCO)C[C@H](C)O	mol5939	CCCCCCCCCCN(CCO)CC(C)O
6.5	IUPAC digitized pKa	1	0	CCCCCCCCCC[NH+](CCO)C[C@H](C)O	CCCCCCCCCCN(CCO)C[C@H](C)O	mol5939	CCCCCCCCCCN(CCO)CC(C)O