[
  {
    "molid": "mol29772",
    "smiles": "COc1cc2c(c(O)c1OC)C(=O)c1cc(O)ccc1C2",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc2c(c(O)c1OC)C(=O)c1cc([O-])ccc1C2",
        "std_free_energy": -0.8515498042106628,
        "relative_population": 0.5215631108392957
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1cc2c(c([O-])c1OC)C(=O)c1cc(O)ccc1C2",
        "std_free_energy": -0.7652438282966614,
        "relative_population": 0.47843688916070437
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1cc2c(c([O-])c1OC)C(=O)c1cc([O-])ccc1C2",
        "std_free_energy": 8.865557670593262,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.09,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]