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You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C18H22N4O5S
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C18H22N4O5S
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C17H19FN2O4
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C17H19FN2O4
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C18H23BrClNO6
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2ccccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C18H26N2O3
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2ccccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C13H15NO3
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2ccccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C18H24N2O
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
O=C1C=CC(=O)c2ccccc12
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C18H24N2O
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1cncc2c1[nH]c(=O)[nH]c2=O
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C16H24N6O2S
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
O=C1C=CC(=O)c2ccccc12
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C16H24N6O2S
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1cncc2c1[nH]c(=O)[nH]c2=O
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C15H16N2O3S
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C15H16N2O3S
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C16H20N2O4S
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
O=C1C=CC(=O)c2ccccc12
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C16H20N2O4S
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1cncc2c1[nH]c(=O)[nH]c2=O
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C18H18ClNO2
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C18H18ClNO2
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C10H12N4O5S
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2ccccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C15H25N3O3S
Degree of Unsaturation (DoU): 5.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
C1COc2ccccc12
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C20H28N4O2
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C20H28N4O2
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C18H21FN4O2
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C18H21FN4O2
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C19H24N2O3
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C19H24N2O3
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C17H20N2O5S2
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C17H20N2O5S2
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C15H14O2
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C15H14O2
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C19H23F2NO2
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
O=C1C=CC(=O)c2ccccc12
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C19H23F2NO2
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1cncc2c1[nH]c(=O)[nH]c2=O
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C16H21N3O2S
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
O=C1C=CC(=O)c2ccccc12
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C16H21N3O2S
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1cncc2c1[nH]c(=O)[nH]c2=O
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C20H26F3N3O2
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
O=C1C=CC(=O)c2ccccc12
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C20H26F3N3O2
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1cncc2c1[nH]c(=O)[nH]c2=O
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C15H18BrNO4S
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2ccccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C13H19NO2S
Degree of Unsaturation (DoU): 5.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
C1COc2ccccc12
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C11H8BrNO
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
O=C1C=CC(=O)c2ccccc12
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C11H8BrNO
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1cncc2c1[nH]c(=O)[nH]c2=O
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C19H22N2O3
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C19H22N2O3
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C18H23F2NO2
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2ccccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C17H20N2O4
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C17H20N2O4
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C18H18FNO2
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C18H18FNO2
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C11H17ClN2O2S2
Degree of Unsaturation (DoU): 4.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccccc1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C11H17ClN2O2S2
Degree of Unsaturation (DoU): 4.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccncc1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C14H10F3NO3S
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C14H10F3NO3S
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C20H26N2O2S
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C20H26N2O2S
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C20H24ClN3O
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C20H24ClN3O
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C13H14Cl2N4O
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
O=C1C=CC(=O)c2ccccc12
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C13H14Cl2N4O
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1cncc2c1[nH]c(=O)[nH]c2=O
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C10H9IN4S
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
O=C1C=CC(=O)c2ccccc12
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C10H9IN4S
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1cncc2c1[nH]c(=O)[nH]c2=O
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C21H26N2O3
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C21H26N2O3
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C13H17N3OS
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2ccccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C14H18ClNO2S
Degree of Unsaturation (DoU): 6.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2C=CCc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C17H24ClN3O2
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2ccccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C14H16N4O4S
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C14H16N4O4S
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C18H20F2N2O3
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C18H20F2N2O3
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C20H28N4O2
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C20H28N4O2
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C16H22N2OS
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2ccccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C14H20BrNO
Degree of Unsaturation (DoU): 5.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
C1COc2ccccc12
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C18H18INO2
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C18H18INO2
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C20H26N4O3
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C20H26N4O3
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C15H24N4O4S
Degree of Unsaturation (DoU): 6.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2C=CCc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C14H22N2O3S
Degree of Unsaturation (DoU): 5.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
C1COc2ccccc12
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C22H30N4O3
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C22H30N4O3
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C13H17ClFNO2S
Degree of Unsaturation (DoU): 5.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
C1COc2ccccc12
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C16H20FNO2S
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
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c1ccc2ccccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C13H14F2N4O2
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
O=C1C=CC(=O)c2ccccc12
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C13H14F2N4O2
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
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c1cncc2c1[nH]c(=O)[nH]c2=O
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C17H15F3N2O5S2
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C17H15F3N2O5S2
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C16H22F2N2O2
Degree of Unsaturation (DoU): 6.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2C=CCc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C10H9N3O
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
O=C1C=CC(=O)c2ccccc12
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C10H9N3O
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1cncc2c1[nH]c(=O)[nH]c2=O
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C19H21ClN2O3
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C19H21ClN2O3
Degree of Unsaturation (DoU): 10.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C8H15F3N2O
Degree of Unsaturation (DoU): 1.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
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C=CCC
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C8H15F3N2O
Degree of Unsaturation (DoU): 1.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
C1CCCCC1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C12H14BrN5O
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
O=C1C=CC(=O)c2ccccc12
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C12H14BrN5O
Degree of Unsaturation (DoU): 8.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1cncc2c1[nH]c(=O)[nH]c2=O
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C18H24N4O2
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C18H24N4O2
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c3ccccc3ccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C16H23N3O2S
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2ccccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C17H29N5O
Degree of Unsaturation (DoU): 6.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2C=CCc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C13H14Cl2N2O3
Degree of Unsaturation (DoU): 7.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2ccccc2c1
|
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:\n1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).\n2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.\n3. **Constraints:**\n * The generated SMILES string *must* be chemically valid.\n * The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.\n4. **Output:** Respond *only* with the generated SMILES string and nothing else.
Molecular Formula: C19H25N3O2
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
c1ccc2c(c1)C=CC3=CC=CC=C23
|
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