[
  {
    "molid": "mol24480",
    "smiles": "CN(C)CC(=O)c1ccc2c(c1)oc1cc(C(=O)CN(C)C)ccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)CC(=O)c1ccc2c(c1)oc1cc(C(=O)CN(C)C)ccc12",
        "std_free_energy": -4.093395233154297,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)CC(=O)c1ccc2c(c1)oc1cc(C(=O)C[NH+](C)C)ccc12",
        "std_free_energy": -6.560533046722412,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.54,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 8.27,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]