[
  {
    "molid": "mol26498",
    "smiles": "Brc1n[nH]c2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Brc1n[nH]c2ccccc12",
        "std_free_energy": -7.076778411865234,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Brc1[nH+][nH]c2ccccc12",
        "std_free_energy": 7.737445831298828,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -1.78,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]