[
  {
    "molid": "mol35086",
    "smiles": "CSCC(=O)C=NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CSCC(=O)C=NO",
        "std_free_energy": -5.6873459815979,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CS[CH-]C(=O)C=NO",
        "std_free_energy": -0.5397858023643494,
        "relative_population": 0.20188988105656575
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CSCC(=O)C=N[O-]",
        "std_free_energy": -1.9143099784851074,
        "relative_population": 0.7981101189434342
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.15999984741211,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.039999961853,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]