[
  {
    "molid": "mol36731",
    "smiles": "O=C1NC(=O)C(/N=N/c2ccccc2C(=O)O)C(=O)N1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C1NC(=O)C(/N=N/c2ccccc2C(=O)O)C(=O)N1",
        "std_free_energy": -2.7694225311279297,
        "relative_population": 0.9877157378760975
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1NC(=O)C(/N=N/c2ccccc2C(=O)[O-])C(=O)N1",
        "std_free_energy": -9.130324363708496,
        "relative_population": 0.8465212401105512
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C(O)c1ccccc1/N=N/[c-]1c(=O)[nH]c(=O)[nH]c1=O",
        "std_free_energy": -7.228077411651611,
        "relative_population": 0.12632883903814532
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.13000011444092,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]