[
  {
    "molid": "mol11918",
    "smiles": "O=S(=O)(O)C(N=Nc1ccccc1)=NNc1ccccc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([O-])C(N=Nc1ccccc1)=NNc1ccccc1",
        "std_free_energy": -8.219269752502441,
        "relative_population": 0.960129255977245
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])C(N=Nc1ccccc1)=N[N-]c1ccccc1",
        "std_free_energy": -4.040494918823242,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.9,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]