[
  {
    "molid": "mol21554",
    "smiles": "Clc1ccc(-c2nc(-c3ccccc3)c[nH]2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Clc1ccc(-c2nc(-c3ccccc3)c[nH]2)cc1",
        "std_free_energy": -6.05879020690918,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Clc1ccc(-c2[nH]cc(-c3ccccc3)[nH+]2)cc1",
        "std_free_energy": -3.146466016769409,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.37,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]