[
  {
    "molid": "mol28082",
    "smiles": "Cc1cc(C)nc(N=C(N(C)C)N(C)C)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(C)nc(N=C(N(C)C)N(C)C)c1",
        "std_free_energy": -1.5291469097137451,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(C)[nH+]c(N=C(N(C)C)N(C)C)c1",
        "std_free_energy": -8.215744018554688,
        "relative_population": 0.26904549867771166
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(C)nc([NH+]=C(N(C)C)N(C)C)c1",
        "std_free_energy": -9.215214729309082,
        "relative_population": 0.7309545013222885
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.92,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]