{
  "route": {
    "id": "sa_9e9c92705dba3e6231f80d87",
    "signature": "94ae6d56d11d423d2a92956cbebdf059e2723b2aebd95ae1e418f65e9c903d8f",
    "contentHash": "9613824922e4d50e4fd1556b3d27dbe4b581fd018663e69b42f10b7a57e4b4f9",
    "length": 2,
    "isConvergent": false
  },
  "target": {
    "id": "sa_d2a4e8dfed3c9b40f5061650",
    "benchmarkSetId": "f925e688d731a0ad4e3aa6a505df094f6d3ca64ce3facc312bc5f64731921b33",
    "targetId": "n5-09162",
    "moleculeId": "sa_c4b5f5e531e13e71b4b90524",
    "smiles": "Nc1ncc(Oc2ccccc2)nc1N1CCOCC1",
    "routeLength": 2,
    "isConvergent": false,
    "metadata": null,
    "molecule": {
      "id": "sa_c4b5f5e531e13e71b4b90524",
      "inchikey": "XNCCHYUSDMOHLT-UHFFFAOYSA-N",
      "smiles": "Nc1ncc(Oc2ccccc2)nc1N1CCOCC1"
    },
    "hasAcceptableRoutes": true,
    "acceptableRoutesCount": 2
  },
  "rootNode": {
    "id": "8851",
    "routeId": "sa_9e9c92705dba3e6231f80d87",
    "moleculeId": "sa_c4b5f5e531e13e71b4b90524",
    "parentId": null,
    "isLeaf": false,
    "molecule": {
      "id": "sa_c4b5f5e531e13e71b4b90524",
      "inchikey": "XNCCHYUSDMOHLT-UHFFFAOYSA-N",
      "smiles": "Nc1ncc(Oc2ccccc2)nc1N1CCOCC1"
    },
    "smiles": "Nc1ncc(Oc2ccccc2)nc1N1CCOCC1",
    "reactionStepId": "sa_f8f09b36d446455b121c6ae1",
    "template": null,
    "metadata": "{\"annotations\":{\"ID\":\"US04343802;;98482\",\"rsmi\":\"Br[c:5]1[cH:4][n:3][c:2]([NH2:1])[c:14]([N:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[n:13]1.[OH:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1>[Na+]>[NH2:1][c:2]1[n:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[n:13][c:14]1[N:15]1[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1\"},\"mapped_reaction_smiles\":\"Br[c:5]1[cH:4][n:3][c:2]([NH2:1])[c:14]([N:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[n:13]1.[OH:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1>[Na+]>[NH2:1][c:2]1[n:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[n:13][c:14]1[N:15]1[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1\"}",
    "reactionStep": {
      "id": "sa_f8f09b36d446455b121c6ae1",
      "reactionHash": "622d96e5872f0d52792944cfa3360c882ff05a07142fa4c6b1fc70d52637e32e"
    },
    "children": [
      {
        "id": "8852",
        "routeId": "sa_9e9c92705dba3e6231f80d87",
        "moleculeId": "sa_1e87f30c7783ddb7102e9ace",
        "parentId": "8851",
        "isLeaf": false,
        "molecule": {
          "id": "sa_1e87f30c7783ddb7102e9ace",
          "inchikey": "CWVGSOUZYXNHLF-UHFFFAOYSA-N",
          "smiles": "Nc1ncc(Br)nc1N1CCOCC1"
        },
        "smiles": "Nc1ncc(Br)nc1N1CCOCC1",
        "reactionStepId": "sa_3dfd728abd749d86449ffda0",
        "template": null,
        "metadata": "{\"annotations\":{\"ID\":\"US04343802;;98476\",\"rsmi\":\"Br[c:8]1[c:2]([NH2:1])[n:3][cH:4][c:5]([Br:6])[n:7]1.[NH:9]1[CH2:10][CH2:11][O:12][CH2:13][CH2:14]1>>[NH2:1][c:2]1[n:3][cH:4][c:5]([Br:6])[n:7][c:8]1[N:9]1[CH2:10][CH2:11][O:12][CH2:13][CH2:14]1\"},\"mapped_reaction_smiles\":\"Br[c:8]1[c:2]([NH2:1])[n:3][cH:4][c:5]([Br:6])[n:7]1.[NH:9]1[CH2:10][CH2:11][O:12][CH2:13][CH2:14]1>>[NH2:1][c:2]1[n:3][cH:4][c:5]([Br:6])[n:7][c:8]1[N:9]1[CH2:10][CH2:11][O:12][CH2:13][CH2:14]1\"}",
        "reactionStep": {
          "id": "sa_3dfd728abd749d86449ffda0",
          "reactionHash": "c1a2c52dba89ddeaf979074f63d0e878562b8b853eb787d2956cc593c0f6c31e"
        },
        "children": [
          {
            "id": "8853",
            "routeId": "sa_9e9c92705dba3e6231f80d87",
            "moleculeId": "sa_819078c083c500edd7ce53a4",
            "parentId": "8852",
            "isLeaf": true,
            "molecule": {
              "id": "sa_819078c083c500edd7ce53a4",
              "inchikey": "DTLBKXRFWUERQN-UHFFFAOYSA-N",
              "smiles": "Nc1ncc(Br)nc1Br"
            },
            "smiles": "Nc1ncc(Br)nc1Br",
            "reactionStepId": null,
            "template": null,
            "metadata": null,
            "reactionStep": null,
            "children": []
          },
          {
            "id": "8854",
            "routeId": "sa_9e9c92705dba3e6231f80d87",
            "moleculeId": "sa_39d71c291f7fdf13918cc969",
            "parentId": "8852",
            "isLeaf": true,
            "molecule": {
              "id": "sa_39d71c291f7fdf13918cc969",
              "inchikey": "YNAVUWVOSKDBBP-UHFFFAOYSA-N",
              "smiles": "C1COCCN1"
            },
            "smiles": "C1COCCN1",
            "reactionStepId": null,
            "template": null,
            "metadata": null,
            "reactionStep": null,
            "children": []
          }
        ]
      },
      {
        "id": "8855",
        "routeId": "sa_9e9c92705dba3e6231f80d87",
        "moleculeId": "sa_2a52b4c246b479e8e6f1627e",
        "parentId": "8851",
        "isLeaf": true,
        "molecule": {
          "id": "sa_2a52b4c246b479e8e6f1627e",
          "inchikey": "ISWSIDIOOBJBQZ-UHFFFAOYSA-N",
          "smiles": "Oc1ccccc1"
        },
        "smiles": "Oc1ccccc1",
        "reactionStepId": null,
        "template": null,
        "metadata": null,
        "reactionStep": null,
        "children": []
      }
    ]
  }
}