[
  {
    "molid": "mol34749",
    "smiles": "CC(=O)c1cc(C=O)c(O)c(C(C)=O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)c1cc(C=O)c(O)c(C(C)=O)c1",
        "std_free_energy": -2.495011806488037,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=O)c1cc(C=O)c([O-])c(C(C)=O)c1",
        "std_free_energy": -4.370353698730469,
        "relative_population": 0.9999999946700132
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.66000008583069,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]