jablonkagroup/corral-environment-tasks huggingface dataset:
Task: make_1_lvl3
Environment: retrosynthesis (level_3 task)
Description: Propose a retrosynthesis route to synthesize the molecule with SMILES [CH2:1]=[C:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[C@@H:9]1[CH2:10][CH2:11][CH2:12][C@@:13]1([OH:14])[C:15]([F:16])([F:17])[F:18]. The leaves on the retrosynthesis tree should be commercially available chemicals. The price of all the chemical cannot exceed $250.0. The final route should not surpass 1 steps.
Allowed tools: check_smiles_reaction_template_matching, search_template_catalog_by_criteria, get_template, get_available_functional_groups, apply_template, verify_step, verify_route, search_catalog_by_smiles, is_buyable, deprotect_molecule, detect_functional_groups, detect_protection_groups
Submission format: Submit a JSON object representing the retrosynthesis route. It must follow the same JSON format as the next example: `{
  "type": "mol",
  "smiles": "CO",
  "children": [
    {
      "type": "reaction",
      "template_id": 1234,
      "children": [
        {
          "type": "mol",
          "smiles": "BrC"
        },
        {
          "type": "mol",
          "smiles": "[OH-]"
        }
      ]
    }
  ]
}`.
Task: make_2_lvl3
Environment: retrosynthesis (level_3 task)
Description: Propose a retrosynthesis route to synthesize the molecule with SMILES COC([C@]12CC=CC[C@H]1C(C2)=O)=O. The leaves on the retrosynthesis tree should be commercially available chemicals. The price of all the chemical cannot exceed $405.0. The final route should not surpass 1 steps.
Allowed tools: check_smiles_reaction_template_matching, search_template_catalog_by_criteria, get_template, get_available_functional_groups, apply_template, verify_step, verify_route, search_catalog_by_smiles, is_buyable, deprotect_molecule, detect_functional_groups, detect_protection_groups
Submission format: Submit a JSON object representing the retrosynthesis route. It must follow the same JSON format as the next example: `{
  "type": "mol",
  "smiles": "CO",
  "children": [
    {
      "type": "reaction",
      "template_id": 1234,
      "children": [
        {
          "type": "mol",
          "smiles": "BrC"
        },
        {
          "type": "mol",
          "smiles": "[OH-]"
        }
      ]
    }
  ]
}`.
Task: make_3_lvl3
Environment: retrosynthesis (level_3 task)
Description: Propose a retrosynthesis route to synthesize the molecule with SMILES COC(C1(C=C1[Si](C)(C)C)/C=C/C2=CC=CC=C2)=O. The leaves on the retrosynthesis tree should be commercially available chemicals. The price of all the chemical cannot exceed $125.0. The final route should not surpass 1 steps.
Allowed tools: check_smiles_reaction_template_matching, search_template_catalog_by_criteria, get_template, get_available_functional_groups, apply_template, verify_step, verify_route, search_catalog_by_smiles, is_buyable, deprotect_molecule, detect_functional_groups, detect_protection_groups
Submission format: Submit a JSON object representing the retrosynthesis route. It must follow the same JSON format as the next example: `{
  "type": "mol",
  "smiles": "CO",
  "children": [
    {
      "type": "reaction",
      "template_id": 1234,
      "children": [
        {
          "type": "mol",
          "smiles": "BrC"
        },
        {
          "type": "mol",
          "smiles": "[OH-]"
        }
      ]
    }
  ]
}`.
Task: make_4_lvl3
Environment: retrosynthesis (level_3 task)
Description: Propose a retrosynthesis route to synthesize the molecule with SMILES C=C(C1=CC=C(OC)C=C1)C2=CC=C(OC)C=C2. The leaves on the retrosynthesis tree should be commercially available chemicals. The price of all the chemical cannot exceed $150.0. The final route should not surpass 1 steps.
Allowed tools: check_smiles_reaction_template_matching, search_template_catalog_by_criteria, get_template, get_available_functional_groups, apply_template, verify_step, verify_route, search_catalog_by_smiles, is_buyable, deprotect_molecule, detect_functional_groups, detect_protection_groups
Submission format: Submit a JSON object representing the retrosynthesis route. It must follow the same JSON format as the next example: `{
  "type": "mol",
  "smiles": "CO",
  "children": [
    {
      "type": "reaction",
      "template_id": 1234,
      "children": [
        {
          "type": "mol",
          "smiles": "BrC"
        },
        {
          "type": "mol",
          "smiles": "[OH-]"
        }
      ]
    }
  ]
}`.
Task: make_5_lvl3
Environment: retrosynthesis (level_3 task)
Description: Propose a retrosynthesis route to synthesize the molecule with SMILES O[C@H]1C[C@@H](O[C@@H]([C@@H]1C)/C=C(CO)/C)C/C=C/C=C/C(O)=O. The leaves on the retrosynthesis tree should be commercially available chemicals. The price of all the chemical cannot exceed $9999.0. The final route should not surpass 5 steps.
Allowed tools: check_smiles_reaction_template_matching, search_template_catalog_by_criteria, get_template, get_available_functional_groups, apply_template, verify_step, verify_route, search_catalog_by_smiles, is_buyable, deprotect_molecule, detect_functional_groups, detect_protection_groups
Submission format: Submit a JSON object representing the retrosynthesis route. It must follow the same JSON format as the next example: `{
  "type": "mol",
  "smiles": "CO",
  "children": [
    {
      "type": "reaction",
      "template_id": 1234,
      "children": [
        {
          "type": "mol",
          "smiles": "BrC"
        },
        {
          "type": "mol",
          "smiles": "[OH-]"
        }
      ]
    }
  ]
}`.
Task: make_6_lvl3
Environment: retrosynthesis (level_3 task)
Description: Propose a retrosynthesis route to synthesize the molecule with SMILES COc1cccc(NC(=O)c2nnn(Cc3ccc(CN4CC(F)C4)cc3)c2N)c1. The leaves on the retrosynthesis tree should be commercially available chemicals. The price of all the chemical cannot exceed $9999.0. The final route should not surpass 3 steps.
Allowed tools: check_smiles_reaction_template_matching, search_template_catalog_by_criteria, get_template, get_available_functional_groups, apply_template, verify_step, verify_route, search_catalog_by_smiles, is_buyable, deprotect_molecule, detect_functional_groups, detect_protection_groups
Submission format: Submit a JSON object representing the retrosynthesis route. It must follow the same JSON format as the next example: `{
  "type": "mol",
  "smiles": "CO",
  "children": [
    {
      "type": "reaction",
      "template_id": 1234,
      "children": [
        {
          "type": "mol",
          "smiles": "BrC"
        },
        {
          "type": "mol",
          "smiles": "[OH-]"
        }
      ]
    }
  ]
}`.
Task: make_7_lvl3
Environment: retrosynthesis (level_3 task)
Description: Propose a retrosynthesis route to synthesize the molecule with SMILES Cc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1. The leaves on the retrosynthesis tree should be commercially available chemicals. The price of all the chemical cannot exceed $9999.0. The final route should not surpass 3 steps.
Allowed tools: check_smiles_reaction_template_matching, search_template_catalog_by_criteria, get_template, get_available_functional_groups, apply_template, verify_step, verify_route, search_catalog_by_smiles, is_buyable, deprotect_molecule, detect_functional_groups, detect_protection_groups
Submission format: Submit a JSON object representing the retrosynthesis route. It must follow the same JSON format as the next example: `{
  "type": "mol",
  "smiles": "CO",
  "children": [
    {
      "type": "reaction",
      "template_id": 1234,
      "children": [
        {
          "type": "mol",
          "smiles": "BrC"
        },
        {
          "type": "mol",
          "smiles": "[OH-]"
        }
      ]
    }
  ]
}`.
Task: make_8_lvl3
Environment: retrosynthesis (level_3 task)
Description: Propose a retrosynthesis route to synthesize the molecule with SMILES O=S(NC1=CC(N2CCN(C(OC(C)(C)C)=O)CC2)=C3C(CCC4(CCC4)O3)=C1)(C5=C(F)C=CC=C5)=O. The leaves on the retrosynthesis tree should be commercially available chemicals. The price of all the chemical cannot exceed $9999.0. The final route should not surpass 6 steps.
Allowed tools: check_smiles_reaction_template_matching, search_template_catalog_by_criteria, get_template, get_available_functional_groups, apply_template, verify_step, verify_route, search_catalog_by_smiles, is_buyable, deprotect_molecule, detect_functional_groups, detect_protection_groups
Submission format: Submit a JSON object representing the retrosynthesis route. It must follow the same JSON format as the next example: `{
  "type": "mol",
  "smiles": "CO",
  "children": [
    {
      "type": "reaction",
      "template_id": 1234,
      "children": [
        {
          "type": "mol",
          "smiles": "BrC"
        },
        {
          "type": "mol",
          "smiles": "[OH-]"
        }
      ]
    }
  ]
}`.