[
  {
    "molid": "mol26065",
    "smiles": "Cc1ccc2cc(O)ccc2[n+]1[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc2cc(O)ccc2[n+]1[O-]",
        "std_free_energy": -5.319668769836426,
        "relative_population": 0.9998630241373782
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc2cc(O)ccc2[n+]1O",
        "std_free_energy": 4.28758430480957,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc2cc([O-])ccc2[n+]1[O-]",
        "std_free_energy": -3.195591449737549,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.21,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 1.6599999666214,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]