[
  {
    "molid": "mol38179",
    "smiles": "CN(C)c1cccc(C(F)(F)C(F)(F)F)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1cccc(C(F)(F)C(F)(F)F)c1",
        "std_free_energy": -6.273443222045898,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)c1cccc(C(F)(F)C(F)(F)F)c1",
        "std_free_energy": 0.31187957525253296,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.89999997615814,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]