[
  {
    "molid": "mol30849",
    "smiles": "Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O",
        "std_free_energy": -4.389314651489258,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc([O-])c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O",
        "std_free_energy": -2.1113951206207275,
        "relative_population": 0.1767374121792298
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(O)c2c(c1)C(=O)c1cc([O-])cc(O)c1C2=O",
        "std_free_energy": -3.211907386779785,
        "relative_population": 0.531220585469335
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc([O-])c1C2=O",
        "std_free_energy": -2.6136276721954346,
        "relative_population": 0.29204200235143524
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.855,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]