[
  {
    "molid": "mol18683",
    "smiles": "O=C(O)Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])Cc1ccc(Nc2c3ccccc3[nH+]c3ccccc23)cc1",
        "std_free_energy": -11.704452514648438,
        "relative_population": 0.6394831605690018
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])Cc1ccc([NH2+]c2c3ccccc3nc3ccccc23)cc1",
        "std_free_energy": -11.130952835083008,
        "relative_population": 0.36038056890538017
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1",
        "std_free_energy": -6.447991371154785,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.92,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]