[
  {
    "molid": "mol7662",
    "smiles": "CCc1nnc(CC)n1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1nnc(CC)n1N",
        "std_free_energy": -6.862457275390625,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCc1n[nH+]c(CC)n1N",
        "std_free_energy": 0.9984516501426697,
        "relative_population": 0.5385600988502669
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCc1nnc(CC)n1[NH3+]",
        "std_free_energy": 1.152998924255371,
        "relative_population": 0.461439901149733
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.13,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]