[
  {
    "molid": "mol18685",
    "smiles": "O=C(O)Cc1ccccc1Nc1c2ccccc2nc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])Cc1ccccc1[NH2+]c1c2ccccc2nc2ccccc12",
        "std_free_energy": -9.558998107910156,
        "relative_population": 0.1962786276429345
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C([O-])Cc1ccccc1Nc1c2ccccc2[nH+]c2ccccc12",
        "std_free_energy": -10.96822738647461,
        "relative_population": 0.8033291239674213
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])Cc1ccccc1Nc1c2ccccc2nc2ccccc12",
        "std_free_energy": -6.501593112945557,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.12,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]