[
  {
    "molid": "mol36634",
    "smiles": "COC(=O)c1c[nH]cc1C(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)c1c[nH]cc1C(F)(F)F",
        "std_free_energy": -6.086064338684082,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)c1c[n-]cc1C(F)(F)F",
        "std_free_energy": 2.21614146232605,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 13.3000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]