[
  {
    "molid": "mol30624",
    "smiles": "O=Cc1ccc2cccc(O)c2c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=Cc1ccc2cccc(O)c2c1O",
        "std_free_energy": -4.836218357086182,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=Cc1ccc2cccc(O)c2c1[O-]",
        "std_free_energy": -3.611666679382324,
        "relative_population": 0.6698028489827643
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=Cc1ccc2cccc([O-])c2c1O",
        "std_free_energy": -2.9043731689453125,
        "relative_population": 0.3301971510172356
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]