[
  {
    "molid": "mol12084",
    "smiles": "CCOC(=O)c1ccc(N=Nc2ccc(O)c(C(=O)O)c2)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)c1ccc(N=Nc2ccc(O)c(C(=O)[O-])c2)cc1",
        "std_free_energy": -11.433980941772461,
        "relative_population": 0.9998232475970504
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCOC(=O)c1ccc(N=Nc2ccc([O-])c(C(=O)[O-])c2)cc1",
        "std_free_energy": -0.6367298364639282,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.19,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]