[
  {
    "molid": "mol37959",
    "smiles": "O=C1C(=NNc2ccccc2)C=C(S(=O)(=O)O)c2ccccc21",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C(=NNc2ccccc2)C=C(S(=O)(=O)[O-])c2ccccc21",
        "std_free_energy": -8.085973739624023,
        "relative_population": 0.999471103613801
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C1C(=N[N-]c2ccccc2)C=C(S(=O)(=O)[O-])c2ccccc21",
        "std_free_energy": -1.4391591548919678,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.5,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]