pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.86	IUPAC digitized pKa	0	-1	CC[C@@]1(c2ccccc2)C(=O)N(CC[NH+]2CCOCC2)C(=O)N=C1[O-],CC[C@@]1(c2ccccc2)C(=O)N(CCN2CCOCC2)C(=O)N=C1O	CC[C@@]1(c2ccccc2)C(=O)N(CCN2CCOCC2)C(=O)N=C1[O-]	mol7449	CCC1(c2ccccc2)C(=O)N(CCN2CCOCC2)C(=O)N=C1O
5.44	IUPAC digitized pKa	1	0	CC[C@@]1(c2ccccc2)C(=O)N(CC[NH+]2CCOCC2)C(=O)N=C1O	CC[C@@]1(c2ccccc2)C(=O)N(CC[NH+]2CCOCC2)C(=O)N=C1[O-],CC[C@@]1(c2ccccc2)C(=O)N(CCN2CCOCC2)C(=O)N=C1O	mol7449	CCC1(c2ccccc2)C(=O)N(CCN2CCOCC2)C(=O)N=C1O