[
  {
    "molid": "mol25753",
    "smiles": "CN(C)c1nc(N)nc(N)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1nc(N)nc(N)n1",
        "std_free_energy": -6.777365684509277,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1nc(N)[nH+]c(N)n1",
        "std_free_energy": -2.4359564781188965,
        "relative_population": 0.20511337283164077
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)c1nc(N)nc(N)n1",
        "std_free_energy": -2.9787306785583496,
        "relative_population": 0.3529537628447984
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN(C)c1nc(N)nc([NH3+])n1",
        "std_free_energy": -2.7093021869659424,
        "relative_population": 0.26959169490612356
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "CN(C)c1nc(N)nc(N)[nH+]1",
        "std_free_energy": -2.2618696689605713,
        "relative_population": 0.17234116941743735
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]