[
  {
    "molid": "mol26502",
    "smiles": "O=C(O)C(=O)Cc1c[nH]c2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C(=O)Cc1c[nH]c2ccccc12",
        "std_free_energy": -3.421558380126953,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])C(=O)Cc1c[nH]c2ccccc12",
        "std_free_energy": -11.538138389587402,
        "relative_population": 0.9999895638631969
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]