[
  {
    "molid": "mol20645",
    "smiles": "FC(F)C1Cc2ccc(Br)cc2CN1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "FC(F)[C@H]1Cc2ccc(Br)cc2CN1",
        "std_free_energy": -5.650530815124512,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "FC(F)[C@H]1Cc2ccc(Br)cc2C[NH2+]1",
        "std_free_energy": -5.563400745391846,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.12,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]