[
  {
    "molid": "mol25521",
    "smiles": "NCc1nc(-c2ccc(Cl)cc2)no1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCc1nc(-c2ccc(Cl)cc2)no1",
        "std_free_energy": -5.709386348724365,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]Cc1nc(-c2ccc(Cl)cc2)no1",
        "std_free_energy": -5.15887975692749,
        "relative_population": 0.9939233442089349
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.34,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]