[
  {
    "molid": "mol37567",
    "smiles": "O=C(O)c1c(Cl)cccc1/N=N/c1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)c1c(Cl)cccc1/N=N/c1ccc(O)cc1",
        "std_free_energy": -3.0568594932556152,
        "relative_population": 0.9988633691547316
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C([O-])c1c(Cl)cccc1/[NH+]=[NH+]/c1ccc(O)cc1",
        "std_free_energy": 9.842630386352539,
        "relative_population": 0.7461765798977771
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C(O)c1c(Cl)cccc1/N=[NH+]/c1ccc(O)cc1",
        "std_free_energy": 12.485616683959961,
        "relative_population": 0.053089330553497696
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "O=C(O)c1c(Cl)cccc1/[NH+]=N/c1ccc(O)cc1",
        "std_free_energy": 11.39594841003418,
        "relative_population": 0.15784984779864034
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.9300000667572,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]