[
  {
    "molid": "mol24669",
    "smiles": "c1ccc(COC2=NOC3(C2)CN2CCC3CC2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(COC2=NO[C@@]3(C2)CN2CCC3CC2)cc1",
        "std_free_energy": -4.067574501037598,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(COC2=NO[C@@]3(C2)C[NH+]2CCC3CC2)cc1",
        "std_free_energy": -7.760753154754639,
        "relative_population": 0.9897801276168199
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.55,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]