pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.22	IUPAC digitized pKa	1	0	C1CO[C@@H](CNCC[NH2+][C@@H]2CCCO2)C1,C1CO[C@@H](C[NH2+]CCN[C@@H]2CCCO2)C1	C1CO[C@@H](CNCCN[C@@H]2CCCO2)C1	mol6328	C1COC(CNCCNC2CCCO2)C1
6.23	IUPAC digitized pKa	2	1	C1CO[C@@H](C[NH2+]CC[NH2+][C@@H]2CCCO2)C1	C1CO[C@@H](CNCC[NH2+][C@@H]2CCCO2)C1,C1CO[C@@H](C[NH2+]CCN[C@@H]2CCCO2)C1	mol6328	C1COC(CNCCNC2CCCO2)C1