[
  {
    "molid": "mol9789",
    "smiles": "CC(=O)OCC(C=NO)=NO",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)OCC(C=NO)=N[O-]",
        "std_free_energy": -1.2548999786376953,
        "relative_population": 0.6015943879739558
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)OCC(C=N[O-])=NO",
        "std_free_energy": -0.8427871465682983,
        "relative_population": 0.3984056120260442
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(=O)OCC(C=N[O-])=N[O-]",
        "std_free_energy": 10.708130836486816,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.78,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]