[
  {
    "molid": "mol37945",
    "smiles": "O=S(=O)(O)c1cc(N=Nc2ccc(Cl)cc2)c(O)c2ncccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=S(=O)(O)c1cc(N=Nc2ccc(Cl)cc2)c(O)c2ncccc12",
        "std_free_energy": -0.5591254830360413,
        "relative_population": 0.8239684170230901
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=S(=O)([O-])c1cc(N=Nc2ccc(Cl)cc2)c(O)c2[nH+]cccc12",
        "std_free_energy": 1.0916712284088135,
        "relative_population": 0.15811703534832874
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cc(N=Nc2ccc(Cl)cc2)c(O)c2ncccc12",
        "std_free_energy": -8.652266502380371,
        "relative_population": 0.9825519077091039
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.76999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]