[
  {
    "molid": "mol28065",
    "smiles": "Cc1ccccc1N=C(N(C)C)N(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccccc1N=C(N(C)C)N(C)C",
        "std_free_energy": -0.4235231876373291,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccccc1[NH+]=C(N(C)C)N(C)C",
        "std_free_energy": -10.62845516204834,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.28,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]