[
  {
    "molid": "mol31562",
    "smiles": "NC(=O)/C(=N\\O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)/C(=N\\O)c1ccccc1",
        "std_free_energy": -7.429274559020996,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH-]C(=O)/C(=N\\O)c1ccccc1",
        "std_free_energy": 3.3422186374664307,
        "relative_population": 0.06142279613490349
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NC(=O)/C(=N\\[O-])c1ccccc1",
        "std_free_energy": 0.615634560585022,
        "relative_population": 0.9385772038650965
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]