[
  {
    "molid": "mol7783",
    "smiles": "Brc1cccc2[nH]cnc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Brc1cccc2[nH]cnc12",
        "std_free_energy": -6.798352241516113,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Brc1cccc2[nH]c[nH+]c12",
        "std_free_energy": -0.6031291484832764,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]