[
  {
    "molid": "mol36643",
    "smiles": "COC1=C(C2=C(O)C(=O)C(C)=CC2=O)C(=O)C=C(C)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC1=C(C2=C(O)C(=O)C(C)=CC2=O)C(=O)C=C(C)C1=O",
        "std_free_energy": -1.1201839447021484,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "COC1=C(C2=C([O-])C(=O)C(C)=CC2=O)C(=O)C=C(C)C1=O",
        "std_free_energy": -8.663764953613281,
        "relative_population": 0.959891180435214
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.01999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]