[
  {
    "molid": "mol12422",
    "smiles": "Oc1ccncc1Br",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1ccncc1Br",
        "std_free_energy": -7.05031156539917,
        "relative_population": 0.9805995610640428
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccncc1Br",
        "std_free_energy": -0.08331842720508575,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.3999996,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]