[
  {
    "molid": "mol375",
    "smiles": "Nc1cc(-c2ccccc2)nc2ccc(Br)cc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cc(-c2ccccc2)nc2ccc(Br)cc12",
        "std_free_energy": -5.153866767883301,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1cc(-c2ccccc2)[nH+]c2ccc(Br)cc12",
        "std_free_energy": -6.221461772918701,
        "relative_population": 0.525947010393408
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1cc(-c2ccccc2)nc2ccc(Br)cc12",
        "std_free_energy": -6.117580413818359,
        "relative_population": 0.4740529896065921
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]