[
  {
    "molid": "mol17134",
    "smiles": "Brc1cccc(Br)c1N(CC1CCCC1)C1=NCCN1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Brc1cccc(Br)c1N(CC1CCCC1)C1=NCCN1",
        "std_free_energy": -1.5162644386291504,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Brc1cccc(Br)c1N(CC1CCCC1)C1=NCC[N-]1",
        "std_free_energy": 10.330023765563965,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]