[
  {
    "molid": "mol29880",
    "smiles": "CCO/N=C(\\CC)C1=C(O)CC(c2c(C)cc(C)cc2C)CC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCO/N=C(\\CC)C1=C(O)C[C@H](c2c(C)cc(C)cc2C)CC1=O",
        "std_free_energy": -4.149604797363281,
        "relative_population": 0.9999611386612436
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCO/N=C(\\CC)C1=C([O-])C[C@H](c2c(C)cc(C)cc2C)CC1=O",
        "std_free_energy": -6.298563003540039,
        "relative_population": 0.9999238776735673
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.64,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]