[
  {
    "molid": "mol11975",
    "smiles": "CC(=O)Nc1ccc(N=NN(O)c2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CC(=O)Nc1ccc(N=NN(O)c2ccccc2)cc1",
        "std_free_energy": -4.9845075607299805,
        "relative_population": 0.9999683357421237
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)Nc1ccc(N=NN([O-])c2ccccc2)cc1",
        "std_free_energy": -6.030132293701172,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.66,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]