[
  {
    "molid": "mol30310",
    "smiles": "O=C1Nc2ccc(C(=O)c3cc(F)ccc3F)cc2O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(c1ccc2[nH]c(=O)oc2c1)c1cc(F)ccc1F",
        "std_free_energy": -5.26008415222168,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(c1ccc2[n-]c(=O)oc2c1)c1cc(F)ccc1F",
        "std_free_energy": -2.044156551361084,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.45,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]