[
  {
    "molid": "mol11955",
    "smiles": "Cc1ccc(O)c(N=Nc2ccccc2C(=O)O)c1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(O)c(N=Nc2ccccc2C(=O)[O-])c1",
        "std_free_energy": -10.266731262207031,
        "relative_population": 0.9995961579275271
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1ccc([O-])c(N=Nc2ccccc2C(=O)[O-])c1",
        "std_free_energy": -1.378730058670044,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.4,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]