[
  {
    "molid": "mol11950",
    "smiles": "ON=C(C(=NO)c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "ON=C(C(=NO)c1ccccc1)c1ccccc1",
        "std_free_energy": -8.349695205688477,
        "relative_population": 0.9999998560131697
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]N=C(C(=NO)c1ccccc1)c1ccccc1",
        "std_free_energy": 0.16373786330223083,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]