[
  {
    "molid": "mol14396",
    "smiles": "O=C(O)[C@@H]1O[C@H](Oc2ccc3oc4cccc(O)c4c(=O)c3c2)[C@@H](O)[C@H](O)[C@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@@H]1O[C@H](Oc2ccc3oc4cccc(O)c4c(=O)c3c2)[C@@H](O)[C@H](O)[C@H]1O",
        "std_free_energy": -2.76973819732666,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H]1O[C@H](Oc2ccc3oc4cccc(O)c4c(=O)c3c2)[C@@H](O)[C@H](O)[C@H]1O",
        "std_free_energy": -9.259818077087402,
        "relative_population": 0.9988375859442914
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.94,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]