[
  {
    "molid": "mol19915",
    "smiles": "CCOC(=O)c1nnn(Cc2ccccc2)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)c1nnn(Cc2ccccc2)c1O",
        "std_free_energy": -4.558754920959473,
        "relative_population": 0.99999977496933
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)c1nnn(Cc2ccccc2)c1[O-]",
        "std_free_energy": -4.879782676696777,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.22,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]