[
  {
    "molid": "mol37438",
    "smiles": "O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)C(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)C(F)(F)F",
        "std_free_energy": -2.730037212371826,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)C(F)(F)F",
        "std_free_energy": -9.405084609985352,
        "relative_population": 0.9959922131653934
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.36999988555908,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]