[
  {
    "molid": "mol38237",
    "smiles": "[O-][n+]1cccc2cc(O)ccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-][n+]1cccc2cc(O)ccc21",
        "std_free_energy": -5.191667079925537,
        "relative_population": 0.9999594746399648
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1ccc2c(ccc[n+]2O)c1",
        "std_free_energy": 5.483259201049805,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.32000005245209,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]