[
  {
    "molid": "mol14563",
    "smiles": "S=C(Nc1ccccc1)c1cccc(Br)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "S=C(Nc1ccccc1)c1cccc(Br)c1",
        "std_free_energy": -6.110777854919434,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "S=C([N-]c1ccccc1)c1cccc(Br)c1",
        "std_free_energy": 3.3074686527252197,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.49,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]