[
  {
    "molid": "mol25939",
    "smiles": "COc1ccccc1Nc1nnn[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccccc1Nc1nnn[nH]1",
        "std_free_energy": -5.996982097625732,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccccc1Nc1nnn[n-]1",
        "std_free_energy": -6.3389201164245605,
        "relative_population": 0.9932989836556749
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.78900003433228,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]