[
  {
    "molid": "mol21215",
    "smiles": "O=c1cc(-c2ccccc2)nc2c(O)cccn12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1cc(-c2ccccc2)nc2c(O)cccn12",
        "std_free_energy": -6.642630577087402,
        "relative_population": 0.9999014067915258
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1cc(-c2ccccc2)nc2c([O-])cccn12",
        "std_free_energy": -2.5439810752868652,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]