[
  {
    "molid": "mol25288",
    "smiles": "Oc1nc(Cl)n[nH]1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Oc1nc(Cl)n[nH]1",
        "std_free_energy": -3.1783435344696045,
        "relative_population": 0.9999984140767184
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1nc(Cl)n[nH]1",
        "std_free_energy": -6.232556343078613,
        "relative_population": 0.7269888944277194
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Oc1nc(Cl)n[n-]1",
        "std_free_energy": -5.253157615661621,
        "relative_population": 0.27301110557228064
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.02,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]