[
  {
    "molid": "mol13337",
    "smiles": "CCN(CC)/N=C(\\N)CC[Si](C)(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN(CC)/N=C(\\N)CC[Si](C)(C)C",
        "std_free_energy": 0.13552573323249817,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCN(CC)/[NH+]=C(\\N)CC[Si](C)(C)C",
        "std_free_energy": -9.125650405883789,
        "relative_population": 0.826039538343275
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC[NH+](CC)/N=C(\\N)CC[Si](C)(C)C",
        "std_free_energy": -7.567835807800293,
        "relative_population": 0.173960461656725
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.65,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]