[
  {
    "molid": "mol17332",
    "smiles": "C/C(CC1CC1)=N/OCC(O)CNC(C)(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/C(CC1CC1)=N/OC[C@@H](O)CNC(C)(C)C",
        "std_free_energy": -2.1276817321777344,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C/C(CC1CC1)=N/OC[C@@H](O)C[NH2+]C(C)(C)C",
        "std_free_energy": -8.978523254394531,
        "relative_population": 0.9799431840786518
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.57,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]