[
  {
    "molid": "mol24928",
    "smiles": "O=S(=O)(O)c1ccc(/N=N/c2ccc(Cl)cc2)cc1",
    "microspecies": [
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "O=S(=O)([O-])c1ccc(/[NH+]=[NH+]/c2ccc(Cl)cc2)cc1",
        "std_free_energy": 13.917460441589355,
        "relative_population": 0.9879101608413687
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "O=S(=O)(O)c1ccc(/[NH+]=[NH+]/c2ccc(Cl)cc2)cc1",
        "std_free_energy": 20.120038986206055,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -3.55,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]