pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.23999977111816	QSARToolbox	1	0	[NH3+][C@@H](Cc1ccc(O)c(O)c1)C(=O)OC1CCCCC1	N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC1CCCCC1,[NH3+][C@@H](Cc1ccc(O)c([O-])c1)C(=O)OC1CCCCC1	mol37736	N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC1CCCCC1