[
  {
    "molid": "mol15962",
    "smiles": "CC(C#[N+][O-])=NO",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C#[N+][O-])=NO",
        "std_free_energy": -7.055037021636963,
        "relative_population": 0.9999969103965347
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C#[N+]O)=NO",
        "std_free_energy": 4.0743021965026855,
        "relative_population": 0.9970898743435224
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.8000002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.80000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]