[
  {
    "molid": "mol18530",
    "smiles": "Oc1cccc2cccc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1cccc2cccc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c12",
        "std_free_energy": -6.549142360687256,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cccc2cccc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c12",
        "std_free_energy": -1.2691490650177002,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.13,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]