[
  {
    "molid": "mol31672",
    "smiles": "CNC(=O)c1cc(Br)cc(C)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNC(=O)c1cc(Br)cc(C)c1O",
        "std_free_energy": -5.70301628112793,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CNC(=O)c1cc(Br)cc(C)c1[O-]",
        "std_free_energy": -2.53450345993042,
        "relative_population": 0.9916022023109435
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.52,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]