[
  {
    "molid": "mol21696",
    "smiles": "OCc1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OCc1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1",
        "std_free_energy": -7.593159198760986,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccc(C(c2ccc(O)cc2)c2ccccc2CO)cc1",
        "std_free_energy": 0.021256908774375916,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.65,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      }
    ]
  }
]