[
  {
    "molid": "mol15300",
    "smiles": "O=C1Oc2ccccc2C(=O)C1CC1C(=O)Oc2ccccc2C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1Oc2ccccc2C(=O)[C@@H]1C[C@H]1C(=O)Oc2ccccc2C1=O",
        "std_free_energy": -2.7584846019744873,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1Oc2ccccc2C(=O)[C@@H]1C[c-]1c(=O)oc2ccccc2c1=O",
        "std_free_energy": -5.327851295471191,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]