pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.34	IUPAC digitized pKa	1	0	CC(C)C[NH+](CCO)CCO	CC(C)CN(CCO)CCO	mol5877	CC(C)CN(CCO)CCO
9.19	IUPAC digitized pKa	1	0	CC(C)C[NH+](CCO)CCO	CC(C)CN(CCO)CCO	mol5877	CC(C)CN(CCO)CCO
9.07	IUPAC digitized pKa	1	0	CC(C)C[NH+](CCO)CCO	CC(C)CN(CCO)CCO	mol5877	CC(C)CN(CCO)CCO
8.87	IUPAC digitized pKa	1	0	CC(C)C[NH+](CCO)CCO	CC(C)CN(CCO)CCO	mol5877	CC(C)CN(CCO)CCO
8.64	IUPAC digitized pKa	1	0	CC(C)C[NH+](CCO)CCO	CC(C)CN(CCO)CCO	mol5877	CC(C)CN(CCO)CCO
8.47	IUPAC digitized pKa	1	0	CC(C)C[NH+](CCO)CCO	CC(C)CN(CCO)CCO	mol5877	CC(C)CN(CCO)CCO