[
  {
    "molid": "mol36449",
    "smiles": "CN1C(=O)CN/N=C(/c2ccccc2)c2cc(Br)ccc21",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN1C(=O)C[NH2+]/N=C(/c2ccccc2)c2cc(Br)ccc21",
        "std_free_energy": -0.5764259099960327,
        "relative_population": 0.8183993637578242
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN1C(=O)CN/[NH+]=C(/c2ccccc2)c2cc(Br)ccc21",
        "std_free_energy": 0.9812759160995483,
        "relative_population": 0.17237091045268102
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "CN1C(=O)C[NH2+]/[NH+]=C(/c2ccccc2)c2cc(Br)ccc21",
        "std_free_energy": 3.5843188762664795,
        "relative_population": 0.9999998514991659
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.79999995231628,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]