[
  {
    "molid": "mol4610",
    "smiles": "Clc1ccc2cncnc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Clc1ccc2cncnc2c1",
        "std_free_energy": -7.109701156616211,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Clc1ccc2c[nH+]cnc2c1",
        "std_free_energy": 1.8890583515167236,
        "relative_population": 0.47435889880015675
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Clc1ccc2cnc[nH+]c2c1",
        "std_free_energy": 1.7864038944244385,
        "relative_population": 0.5256411011998434
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.25,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.29,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]