[
  {
    "molid": "mol17304",
    "smiles": "NS(=O)(=O)C1=NN2C(=NC(=O)NS2(=O)=O)S1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NS(=O)(=O)C1=NN2C(=NC(=O)[N-]S2(=O)=O)S1",
        "std_free_energy": -10.38067626953125,
        "relative_population": 0.9992061651662788
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[NH-]S(=O)(=O)C1=NN2C(=NC(=O)[N-]S2(=O)=O)S1",
        "std_free_energy": -2.4033522605895996,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.2,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]