[
  {
    "molid": "mol18035",
    "smiles": "Fc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Fc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1",
        "std_free_energy": -6.553381443023682,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Fc1ccc(-c2[nH+]c(-c3ccc4nc[nH]c4c3)no2)cc1",
        "std_free_energy": 0.26402515172958374,
        "relative_population": 0.08189004023145244
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Fc1ccc(-c2nc(-c3ccc4[nH+]c[nH]c4c3)no2)cc1",
        "std_free_energy": -2.0871903896331787,
        "relative_population": 0.8597081024964892
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Fc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)[nH+]o2)cc1",
        "std_free_energy": 0.6020548343658447,
        "relative_population": 0.058401857272058266
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.57,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]