[
  {
    "molid": "mol38418",
    "smiles": "CN(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1",
        "std_free_energy": -5.260506629943848,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1ccc(C([OH2+])(C(F)(F)F)C(F)(F)F)cc1",
        "std_free_energy": 1.8855373859405518,
        "relative_population": 0.3268240106728267
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1",
        "std_free_energy": 1.1629524230957031,
        "relative_population": 0.6731759893271733
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.24000000953674,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]