[
  {
    "molid": "mol30679",
    "smiles": "O=C(c1ccccc1)c1ccc(O)cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(c1ccccc1)c1ccc(O)cc1O",
        "std_free_energy": -5.415277004241943,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(c1ccccc1)c1ccc(O)cc1[O-]",
        "std_free_energy": -1.8882853984832764,
        "relative_population": 0.2022832538775947
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(c1ccccc1)c1ccc([O-])cc1O",
        "std_free_energy": -3.2603700160980225,
        "relative_population": 0.7977167461224053
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C(c1ccccc1)c1ccc([O-])cc1[O-]",
        "std_free_energy": 8.148956298828125,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.26,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 11.58,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 11.42,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]