[
  {
    "molid": "mol37271",
    "smiles": "C[C@H](N)[C@@H](C)N(C)C",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@H]([NH3+])[C@@H](C)N(C)C",
        "std_free_energy": -7.507665634155273,
        "relative_population": 0.40567611998509356
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@H](N)[C@@H](C)[NH+](C)C",
        "std_free_energy": -7.889534950256348,
        "relative_population": 0.5943238800149063
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[C@H]([NH3+])[C@@H](C)[NH+](C)C",
        "std_free_energy": -7.8195366859436035,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.69999980926514,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]