[
  {
    "molid": "mol12302",
    "smiles": "O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccc(F)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1c2ccccc2C(=O)C1C(=O)[C@H](c1ccccc1)c1ccc(F)cc1",
        "std_free_energy": -2.820615768432617,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1c2ccccc2C(=O)[C-]1C(=O)[C@H](c1ccccc1)c1ccc(F)cc1",
        "std_free_energy": -7.276642799377441,
        "relative_population": 0.9451587862179645
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1c2ccccc2C(=O)C1C(=O)[C-](c1ccccc1)c1ccc(F)cc1",
        "std_free_energy": -4.429731845855713,
        "relative_population": 0.05484121378203553
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]