[
  {
    "molid": "mol9091",
    "smiles": "ON=C(C(F)(F)F)C(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "ON=C(C(F)(F)F)C(F)(F)F",
        "std_free_energy": -2.152653217315674,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]N=C(C(F)(F)F)C(F)(F)F",
        "std_free_energy": -6.6540374755859375,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]