[
  {
    "molid": "mol36450",
    "smiles": "CN1C(=O)CN/N=C(/c2ccccc2)c2cc(Cl)ccc21",
    "microspecies": [
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN1C(=O)C[NH2+]/N=C(/c2ccccc2)c2cc(Cl)ccc21",
        "std_free_energy": -1.0318169593811035,
        "relative_population": 0.8011333339897172
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN1C(=O)CN/[NH+]=C(/c2ccccc2)c2cc(Cl)ccc21",
        "std_free_energy": 0.4110848903656006,
        "relative_population": 0.1892607214229492
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CN1C(=O)C[NH2+]/[NH+]=C(/c2ccccc2)c2cc(Cl)ccc21",
        "std_free_energy": 3.5632388591766357,
        "relative_population": 0.9999998983716887
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.79999995231628,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]