[
  {
    "molid": "mol28810",
    "smiles": "Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Br)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Br)cc2)cc1",
        "std_free_energy": -5.550406455993652,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(Br)cc2)cc1",
        "std_free_energy": -10.13438606262207,
        "relative_population": 0.999908338345526
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]