[
  {
    "molid": "mol7862",
    "smiles": "Cc1nc(Cl)nc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc(Cl)nc2ccccc12",
        "std_free_energy": -7.773345470428467,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1nc(Cl)[nH+]c2ccccc12",
        "std_free_energy": 6.32369327545166,
        "relative_population": 0.3660569927620393
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1[nH+]c(Cl)nc2ccccc12",
        "std_free_energy": 5.7745232582092285,
        "relative_population": 0.6339430072379607
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.75,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]