[
  {
    "molid": "mol24548",
    "smiles": "CN(C)C12CCN(CC1)CC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)C12CCN(CC1)CC2",
        "std_free_energy": 0.6626828908920288,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)C12CCN(CC1)CC2",
        "std_free_energy": -8.372807502746582,
        "relative_population": 0.5736823725541352
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)C12CC[NH+](CC1)CC2",
        "std_free_energy": -8.075916290283203,
        "relative_population": 0.4263176274458647
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH+](C)C12CC[NH+](CC1)CC2",
        "std_free_energy": -10.526347160339355,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.0699996948242,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.15,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 6.41,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]