[
  {
    "molid": "mol37943",
    "smiles": "O=S(=O)(O)c1cc(N=Nc2ncc(Br)cc2Br)c(O)c2ccccc12",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cc(N=Nc2ncc(Br)cc2Br)c(O)c2ccccc12",
        "std_free_energy": -6.2607526779174805,
        "relative_population": 0.8728628390723779
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=S(=O)(O)c1cc(N=Nc2ncc(Br)cc2Br)c([O-])c2ccccc12",
        "std_free_energy": -4.323959827423096,
        "relative_population": 0.12583676844346395
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc(N=Nc2ncc(Br)cc2Br)c([O-])c2ccccc12",
        "std_free_energy": -6.298666954040527,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.90999984741211,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]