[
  {
    "molid": "mol29667",
    "smiles": "O=c1cc(-c2cccc(O)c2)oc2ccc(O)cc12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1cc(-c2cccc([O-])c2)oc2ccc(O)cc12",
        "std_free_energy": -0.5282096266746521,
        "relative_population": 0.3995647701159738
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1cc(-c2cccc(O)c2)oc2ccc([O-])cc12",
        "std_free_energy": -0.9354885220527649,
        "relative_population": 0.6004352298840261
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=c1cc(-c2cccc([O-])c2)oc2ccc([O-])cc12",
        "std_free_energy": 8.911311149597168,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.84,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]