[
  {
    "molid": "mol34856",
    "smiles": "COc1ccccc1C(=O)N(C)c1nnn[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccccc1C(=O)N(C)c1nnn[nH]1",
        "std_free_energy": -4.528134346008301,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccccc1C(=O)N(C)c1nnn[n-]1",
        "std_free_energy": -7.562976837158203,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.82000017166138,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]