[
  {
    "molid": "mol13168",
    "smiles": "Oc1ccc2cn[nH]c2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1ccc2cn[nH]c2c1",
        "std_free_energy": -7.0331244468688965,
        "relative_population": 0.9999989807548935
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1ccc2cn[nH]c2c1",
        "std_free_energy": -0.003684431314468384,
        "relative_population": 0.9986859269085537
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.35,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.3500004,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.35000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]