[
  {
    "molid": "mol12871",
    "smiles": "CC(=O)OCC(=NO)C(C)=NO",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)OCC(=N[O-])C(C)=NO",
        "std_free_energy": -0.2126190960407257,
        "relative_population": 0.634816065605078
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)OCC(=NO)C(C)=N[O-]",
        "std_free_energy": 0.340315043926239,
        "relative_population": 0.3651839343949221
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC(=O)OCC(=N[O-])C(C)=N[O-]",
        "std_free_energy": 11.783254623413086,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.7,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 11.5,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.6999998,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.69999980926514,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]