[
  {
    "molid": "mol6872",
    "smiles": "CC1=NN(C)C(C)(C)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=NN(C)C(C)(C)C1",
        "std_free_energy": -3.895432949066162,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC1=N[NH+](C)C(C)(C)C1",
        "std_free_energy": -3.0189976692199707,
        "relative_population": 0.43021385605311047
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC1=[NH+]N(C)C(C)(C)C1",
        "std_free_energy": -3.299976348876953,
        "relative_population": 0.5697861439468895
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.68,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]