[
  {
    "molid": "mol31283",
    "smiles": "CC1(C)CC(Nc2ccccc2)=C/C(=N/c2ccccc2)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)CC(Nc2ccccc2)=C/C(=N/c2ccccc2)C1",
        "std_free_energy": -1.1788221597671509,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC1(C)CC(Nc2ccccc2)=C/C(=[NH+]/c2ccccc2)C1",
        "std_free_energy": -9.749210357666016,
        "relative_population": 0.6809080396818755
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC1(C)CC([NH2+]c2ccccc2)=C/C(=N/c2ccccc2)C1",
        "std_free_energy": -8.991262435913086,
        "relative_population": 0.31909196031812453
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.89,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]