pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	OCHEM	1	0	C[C@](Cc1ccc(O)c(O)c1)([NH2+][NH3+])C(=O)[O-]	C[C@](Cc1ccc(O)c(O)c1)(N[NH3+])C(=O)[O-],C[C@](Cc1ccc(O)c(O)c1)([NH2+]N)C(=O)[O-]	mol347	CC(Cc1ccc(O)c(O)c1)(NN)C(=O)O