[
  {
    "molid": "mol4429",
    "smiles": "Oc1ccc(C(F)(F)F)c2cccnc12",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Oc1ccc(C(F)(F)F)c2cccnc12",
        "std_free_energy": -5.873208999633789,
        "relative_population": 0.9924444824110102
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1ccc(C(F)(F)F)c2ccc[nH+]c12",
        "std_free_energy": 1.752855896949768,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.79999995231628,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]