[
  {
    "molid": "mol32608",
    "smiles": "CN(C)c1ncnc2c1ncn2C1OC(CO)C(O)C1O",
    "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": "C[NH+](C)c1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O",
        "std_free_energy": 0.6488762497901917,
        "relative_population": 0.24012587773747693
      },
      {
        "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": 1.3531548976898193,
        "relative_population": 0.11873387313555019
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN(C)c1nc[nH+]c2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O",
        "std_free_energy": 0.9829763174057007,
        "relative_population": 0.17192583789508523
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "CN(C)c1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1[OH2+]",
        "std_free_energy": 1.1473731994628906,
        "relative_population": 0.1458627814584159
      },
      {
        "id": "1_6",
        "charge": 1,
        "smiles": "CN(C)c1ncnc2c1ncn2[C@H]1O[C@@H](C[OH2+])[C@H](O)[C@@H]1O",
        "std_free_energy": 1.7603296041488647,
        "relative_population": 0.07902070621088454
      },
      {
        "id": "1_7",
        "charge": 1,
        "smiles": "CN(C)c1[nH+]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O",
        "std_free_energy": 0.6942853927612305,
        "relative_population": 0.22946583089950778
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.6500001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]