[
  {
    "molid": "mol30262",
    "smiles": "CC(=O)c1ccc2c(c1)OC(=O)N2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)c1ccc2[nH]c(=O)oc2c1",
        "std_free_energy": -5.511390686035156,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)c1ccc2[n-]c(=O)oc2c1",
        "std_free_energy": -2.012871026992798,
        "relative_population": 0.9999999935756041
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.86,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]