[
  {
    "molid": "mol13756",
    "smiles": "Clc1cccc(-c2ccccn2)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Clc1cccc(-c2ccccn2)n1",
        "std_free_energy": -7.3927459716796875,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Clc1cccc(-c2cccc[nH+]2)n1",
        "std_free_energy": -0.08200255036354065,
        "relative_population": 0.6101797697119034
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Clc1cccc(-c2ccccn2)[nH+]1",
        "std_free_energy": 0.3660653829574585,
        "relative_population": 0.38982023028809676
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.70000004768372,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]