[
  {
    "molid": "mol27824",
    "smiles": "[O-]/[N+](O)=C\\CO",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-]/[N+](O)=C\\CO",
        "std_free_energy": -1.7574232816696167,
        "relative_population": 0.9997688825782652
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-][N+]([O-])=CCO",
        "std_free_energy": -7.552592754364014,
        "relative_population": 0.9999978871342566
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.28999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.44,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]