[
  {
    "molid": "mol35219",
    "smiles": "C[n+]1cccc2cccc([O-])c21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[n+]1cccc2cccc([O-])c21",
        "std_free_energy": -3.5476112365722656,
        "relative_population": 0.9995361509931312
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1cccc2cccc(O)c21",
        "std_free_energy": -4.725042343139648,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.80999994277954,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 6.80000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]