[
  {
    "molid": "mol15439",
    "smiles": "CN(C)c1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O",
        "std_free_energy": -7.601823329925537,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1nc[nH+]c2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O",
        "std_free_energy": 0.9829766750335693,
        "relative_population": 0.22614332537450096
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)c1ncnc2c1[nH+]cn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O",
        "std_free_energy": 1.353155255317688,
        "relative_population": 0.1561770658454067
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN(C)c1[nH+]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O",
        "std_free_energy": 0.6942852139472961,
        "relative_population": 0.301828942827305
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "C[NH+](C)c1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O",
        "std_free_energy": 0.6488761305809021,
        "relative_population": 0.3158506659527873
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.65,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]