[
  {
    "molid": "mol4290",
    "smiles": "Cc1n[nH]c(C)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1n[nH]c(C)n1",
        "std_free_energy": -6.887387752532959,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1n[nH]c(C)[nH+]1",
        "std_free_energy": -0.22007587552070618,
        "relative_population": 0.7028203251572289
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1nc(C)[nH+][nH]1",
        "std_free_energy": 0.6406884789466858,
        "relative_population": 0.2971796748427711
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.79,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]