[
  {
    "molid": "mol25413",
    "smiles": "Cc1noc(C)c1C(C)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1noc(C)c1[C@H](C)C(=O)O",
        "std_free_energy": -4.0230607986450195,
        "relative_population": 0.9997765443343846
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1[nH+]oc(C)c1[C@H](C)C(=O)O",
        "std_free_energy": 8.191483497619629,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -1.82,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]