[
  {
    "molid": "mol9434",
    "smiles": "CC(=O)NCCC([N+](=O)[O-])[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)NCCC([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -5.786629676818848,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)NCC[C-]([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -7.286306858062744,
        "relative_population": 0.9999856639178704
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.28,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]