[
  {
    "molid": "mol19840",
    "smiles": "CCOC(=O)c1cnc2c(c(C)nn2C)c1Nc1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "CCOC(=O)c1cnc2c(c(C)nn2C)c1Nc1ccc(O)cc1",
        "std_free_energy": -7.586000442504883,
        "relative_population": 0.9999791473414724
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)c1cnc2c(c(C)nn2C)c1Nc1ccc([O-])cc1",
        "std_free_energy": 0.05778653919696808,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.98,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]