[
  {
    "molid": "mol24010",
    "smiles": "C/N=C1\\CCCc2oc3cccc(N(C)C)c3c21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/N=C1\\CCCc2oc3cccc(N(C)C)c3c21",
        "std_free_energy": -1.4387506246566772,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C/[NH+]=C1\\CCCc2oc3cccc(N(C)C)c3c21",
        "std_free_energy": -9.45142936706543,
        "relative_population": 0.9628717226383949
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]