[
  {
    "molid": "mol18524",
    "smiles": "Oc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2ccccc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2ccccc2c1",
        "std_free_energy": -6.352788925170898,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c2ccccc2c1",
        "std_free_energy": -1.5863428115844727,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.22,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]