[
  {
    "molid": "mol36392",
    "smiles": "CN(C)c1ccc(C(=NO)C(F)(F)F)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(C)c1ccc(C(=NO)C(F)(F)F)cc1",
        "std_free_energy": -6.841911315917969,
        "relative_population": 0.9995333515027282
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)c1ccc(C(=N[O-])C(F)(F)F)cc1",
        "std_free_energy": -0.6212943196296692,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.64999961853027,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]