[
  {
    "molid": "mol37880",
    "smiles": "CN(C)/N=N/c1ccc(CC(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(C)/N=N/c1ccc(CC(=O)O)cc1",
        "std_free_energy": -4.241140842437744,
        "relative_population": 0.9071539620767441
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "C[NH+](C)/N=N/c1ccc(CC(=O)[O-])cc1",
        "std_free_energy": -1.6573963165283203,
        "relative_population": 0.0684817754815823
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[NH+](C)/N=N/c1ccc(CC(=O)O)cc1",
        "std_free_energy": 2.6101605892181396,
        "relative_population": 0.8325785845905231
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "CN(C)/[NH+]=N/c1ccc(CC(=O)O)cc1",
        "std_free_energy": 4.5513458251953125,
        "relative_population": 0.11950310775207776
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.53000020980835,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]