[
  {
    "molid": "mol36417",
    "smiles": "CN(C)c1ccccc1C(=NO)C(F)(F)F",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(C)c1ccccc1C(=NO)C(F)(F)F",
        "std_free_energy": -6.74904203414917,
        "relative_population": 0.9983276674431721
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)c1ccccc1C(=N[O-])C(F)(F)F",
        "std_free_energy": 0.2840912342071533,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.44999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]