[
  {
    "molid": "mol31759",
    "smiles": "Nc1ccncc1CBr",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccncc1CBr",
        "std_free_energy": -4.851900100708008,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1cc[nH+]cc1CBr",
        "std_free_energy": -7.540276050567627,
        "relative_population": 0.7430432091540283
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1ccncc1CBr",
        "std_free_energy": -6.478429794311523,
        "relative_population": 0.2569567908459717
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.47,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]