[
  {
    "molid": "mol24465",
    "smiles": "CNCC(C)N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNC[C@@H](C)N",
        "std_free_energy": -0.0610252246260643,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CNC[C@@H](C)[NH3+]",
        "std_free_energy": -7.241790294647217,
        "relative_population": 0.2915337576273568
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH2+]C[C@@H](C)N",
        "std_free_energy": -8.12973690032959,
        "relative_population": 0.7084662423726431
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]