[
  {
    "molid": "mol25940",
    "smiles": "COc1ccc(Nc2nnn[nH]2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(Nc2nnn[nH]2)cc1",
        "std_free_energy": -6.090339660644531,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccc(Nc2nnn[n-]2)cc1",
        "std_free_energy": -6.76126766204834,
        "relative_population": 0.9993615975255269
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.10500001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]