[
  {
    "molid": "mol2694",
    "smiles": "O=C(c1ccccc1)C1C(=O)c2ccccc2C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(c1ccccc1)C1C(=O)c2ccccc2C1=O",
        "std_free_energy": -2.205688953399658,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(c1ccccc1)[C-]1C(=O)c2ccccc2C1=O",
        "std_free_energy": -6.381639003753662,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.78,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.46,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Caine"
      }
    ]
  }
]