[
  {
    "molid": "mol15062",
    "smiles": "O=C1Nc2cncnc2NC1=C1Nc2ncncc2NC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1Nc2cncnc2NC1=C1Nc2ncncc2NC1=O",
        "std_free_energy": -5.453495979309082,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C1Nc2cncnc2NC1=C1Nc2[nH+]cncc2NC1=O",
        "std_free_energy": 8.33035945892334,
        "relative_population": 0.27837593531834964
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C1Nc2cncnc2NC1=C1Nc2nc[nH+]cc2NC1=O",
        "std_free_energy": 7.811430931091309,
        "relative_population": 0.4677345870363715
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "O=C1Nc2cncnc2NC1=C1[NH2+]c2ncncc2NC1=O",
        "std_free_energy": 8.422432899475098,
        "relative_population": 0.25388947764527886
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]