pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	IUPAC digitized pKa	1	0	CCCCCC[NH+](CCO)C[C@H](C)O	CCCCCCN(CCO)C[C@H](C)O	mol5930	CCCCCCN(CCO)CC(C)O
8.5	IUPAC digitized pKa	1	0	CCCCCC[NH+](CCO)C[C@H](C)O	CCCCCCN(CCO)C[C@H](C)O	mol5930	CCCCCCN(CCO)CC(C)O
8.1	IUPAC digitized pKa	1	0	CCCCCC[NH+](CCO)C[C@H](C)O	CCCCCCN(CCO)C[C@H](C)O	mol5930	CCCCCCN(CCO)CC(C)O