[
  {
    "molid": "mol1731",
    "smiles": "O=C1C(O)=C(Oc2ccccc2)C(=O)C(O)=C1Oc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C(O)=C(Oc2ccccc2)C(=O)C(O)=C1Oc1ccccc1",
        "std_free_energy": -0.22035090625286102,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C(O)=C(Oc2ccccc2)C(=O)C([O-])=C1Oc1ccccc1",
        "std_free_energy": -7.6786065101623535,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      },
      {
        "pka_value": 3.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      }
    ]
  }
]