[
  {
    "molid": "mol7664",
    "smiles": "CCCc1nnc(CCC)n1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCc1nnc(CCC)n1N",
        "std_free_energy": -6.891138553619385,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCc1n[nH+]c(CCC)n1N",
        "std_free_energy": 1.5124998092651367,
        "relative_population": 0.588418538246059
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCc1nnc(CCC)n1[NH3+]",
        "std_free_energy": 1.8699313402175903,
        "relative_population": 0.41158146175394106
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]