[
  {
    "molid": "mol36073",
    "smiles": "CN(C(=O)c1ccccc1O)c1nnn[nH]1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(C(=O)c1ccccc1O)c1nnn[nH]1",
        "std_free_energy": -5.363377571105957,
        "relative_population": 0.9999994180846873
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CN(C(=O)c1ccccc1O)c1nnn[n-]1",
        "std_free_energy": -6.487547874450684,
        "relative_population": 0.9738068250377488
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.55000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]