[
  {
    "molid": "mol38206",
    "smiles": "Clc1ccc(-c2nnc(-c3ccccc3)o2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Clc1ccc(-c2nnc(-c3ccccc3)o2)cc1",
        "std_free_energy": -6.364260673522949,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Clc1ccc(-c2[nH+]nc(-c3ccccc3)o2)cc1",
        "std_free_energy": 5.013814449310303,
        "relative_population": 0.4702565592041747
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Clc1ccc(-c2n[nH+]c(-c3ccccc3)o2)cc1",
        "std_free_energy": 4.894700050354004,
        "relative_population": 0.5297434407958254
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.05999994277954,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]