pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.61999988555908	QSARToolbox	0	-1	CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O	CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	mol35028	CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O