[
  {
    "molid": "mol6999",
    "smiles": "CN(C)c1cc(N(C)C)nc(N)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1cc(N(C)C)nc(N)n1",
        "std_free_energy": -5.772262096405029,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1cc([NH+](C)C)nc(N)n1",
        "std_free_energy": -6.49263334274292,
        "relative_population": 0.4383028344158768
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)c1cc(N(C)C)nc([NH3+])n1",
        "std_free_energy": -6.264800071716309,
        "relative_population": 0.34900170347825205
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN(C)c1cc(N(C)C)[nH+]c(N)n1",
        "std_free_energy": -5.769584655761719,
        "relative_population": 0.2126954621058711
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.18,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]