[
  {
    "molid": "mol12595",
    "smiles": "ON=C(Cc1ccccc1)NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "ON=C(Cc1ccccc1)NO",
        "std_free_energy": -6.43043327331543,
        "relative_population": 0.9999815721314753
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "ONC(Cc1ccccc1)=[NH+]O",
        "std_free_energy": -1.390928030014038,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]NC(Cc1ccccc1)=NO",
        "std_free_energy": 5.3642191886901855,
        "relative_population": 0.1720993765154261
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]N=C(Cc1ccccc1)NO",
        "std_free_energy": 3.793398141860962,
        "relative_population": 0.8279006234845739
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.6999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.25,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]