[
  {
    "molid": "mol11634",
    "smiles": "Oc1c(Br)cc(N=Nc2ncc(Br)cc2Br)c(O)c1Br",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1c(Br)cc(N=Nc2ncc(Br)cc2Br)c(O)c1Br",
        "std_free_energy": -6.618381500244141,
        "relative_population": 0.6197767485625918
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "[O-]c1c(N=Nc2ncc(Br)cc2Br)cc(Br)c(O)c1Br",
        "std_free_energy": -6.129688739776611,
        "relative_population": 0.3801882670981295
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1c(Br)cc(N=Nc2ncc(Br)cc2Br)c([O-])c1Br",
        "std_free_energy": 1.5237464904785156,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.2,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]