[
  {
    "molid": "mol20834",
    "smiles": "O=C(O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl",
        "std_free_energy": -4.966233253479004,
        "relative_population": 0.991141282998848
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(O)Cc1cc(O)ccc1[NH2+]c1c(Cl)cccc1Cl",
        "std_free_energy": 8.316906929016113,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.22,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]