[
  {
    "molid": "mol16193",
    "smiles": "O=C1CCC(Cc2ccc(Br)cc2)=C1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CCC(Cc2ccc(Br)cc2)=C1O",
        "std_free_energy": -5.383981704711914,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1CCC([CH-]c2ccc(Br)cc2)=C1O",
        "std_free_energy": -2.1606335639953613,
        "relative_population": 0.40771449390591774
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C1CCC(Cc2ccc(Br)cc2)=C1[O-]",
        "std_free_energy": -2.319833517074585,
        "relative_population": 0.47807475558073675
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C1C[CH-]C(Cc2ccc(Br)cc2)=C1O",
        "std_free_energy": -0.8542240858078003,
        "relative_population": 0.11040524937784665
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]