[
  {
    "molid": "mol35388",
    "smiles": "CCCCN(CCCC)C(=O)C(=NO)C(C)=NO",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCN(CCCC)C(=O)C(=NO)C(C)=N[O-]",
        "std_free_energy": -1.3063604831695557,
        "relative_population": 0.35183817242697235
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCN(CCCC)C(=O)C(=N[O-])C(C)=NO",
        "std_free_energy": -1.9173295497894287,
        "relative_population": 0.6481618275730276
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCCCN(CCCC)C(=O)C(=N[O-])C(C)=N[O-]",
        "std_free_energy": 12.055795669555664,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.9899997711182,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]