[
  {
    "molid": "mol34142",
    "smiles": "CC(=O)OCC1=C(C(=O)O)C2C=CC1C2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)OCC1=C(C(=O)O)[C@H]2C=C[C@@H]1C2",
        "std_free_energy": -3.285667896270752,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)OCC1=C(C(=O)[O-])[C@H]2C=C[C@@H]1C2",
        "std_free_energy": -8.886285781860352,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.55999994277954,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]