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You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C16H18F3N3OS
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. | <answer>O=C1C=CC(=O)c2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H12ClN3O2S
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H12ClN3O2S
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C20H24ClN3O2
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C20H24ClN3O2
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C13H12FN3O
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C13H12FN3O
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C20H28N2OS
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. | <answer>O=C1C=CC(=O)c2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C9H14N4S
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. | <answer>C1COc2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C21H26O3
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C21H26O3
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C20H23FN2O5S
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C20H23FN2O5S
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C18H24ClFN4O3
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. | <answer>O=C1C=CC(=O)c2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H26N2O3S
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. | <answer>c1ccc2C=CCc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H20O3
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. | <answer>c1ccc2C=CCc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H14ClFN2
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. | <answer>O=C1C=CC(=O)c2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H24O3
Degree of Unsaturation (DoU): 3.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccoc1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H24O3
Degree of Unsaturation (DoU): 3.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1cc[nH]c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H10ClFO3
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H10ClFO3
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H20Cl2N2O4
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. | <answer>O=C1C=CC(=O)c2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C18H18Cl2FN3O3S
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C18H18Cl2FN3O3S
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C13H16F3N3O3S
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. | <answer>c1ccc2C=CCc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C18H27N3O
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. | <answer>c1ccc2ccccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C18H27N3O
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. | <answer>c1cncc2c1[nH]c(=O)[nH]c2=O</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H21NO4S
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. | <answer>c1ccc2C=CCc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C16H22N2O4S
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. | <answer>c1ccc2ccccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C16H22N2O4S
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. | <answer>c1cncc2c1[nH]c(=O)[nH]c2=O</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C16H17ClN2O3S
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C16H17ClN2O3S
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C18H23FN4O3
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C18H23FN4O3
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H21FN4O2S
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H21FN4O2S
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C9H15N5O2S
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. | <answer>C1COc2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C21H32N4O
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. | <answer>O=C1C=CC(=O)c2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C11H15NO3S
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. | <answer>C1COc2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H21N3O3
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H21N3O3
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H16N4O2S
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H16N4O2S
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H14F3N3
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. | <answer>O=C1C=CC(=O)c2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C6H5BrFN
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. | <answer>c1ccccc1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C6H5BrFN
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. | <answer>c1ccncc1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H17F2NO3S
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. | <answer>c1ccc2C=CCc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C16H21N5O2
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C16H21N5O2
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C11H14BrNO2S
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. | <answer>C1COc2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C11H17NO2S
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. | <answer>c1ccccc1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C11H17NO2S
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. | <answer>c1ccncc1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H21N3O3S
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H21N3O3S
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H17N5O3
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H17N5O3
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C11H18N6O2
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. | <answer>c1ccc2C=CCc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C19H27N3O2
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. | <answer>O=C1C=CC(=O)c2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H22N2O5S
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. | <answer>c1ccc2C=CCc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H14N4O2S
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H14N4O2S
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C20H23NO4
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C20H23NO4
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C19H22F2N2O3S
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C19H22F2N2O3S
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H16BrClN2O3
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. | <answer>c1ccc2ccccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H16BrClN2O3
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. | <answer>c1cncc2c1[nH]c(=O)[nH]c2=O</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H12F3NO
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. | <answer>O=C1C=CC(=O)c2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H16N2O2
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H16N2O2
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H21N3O3S
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. | <answer>c1ccc2C=CCc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H21NO2S
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. | <answer>O=C1C=CC(=O)c2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H15ClN2
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. | <answer>O=C1C=CC(=O)c2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C20H24N2O2
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C20H24N2O2
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H23F2N3O3
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. | <answer>c1ccc2ccccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H23F2N3O3
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. | <answer>c1cncc2c1[nH]c(=O)[nH]c2=O</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C19H28N2O3
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. | <answer>c1ccc2ccccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C19H28N2O3
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. | <answer>c1cncc2c1[nH]c(=O)[nH]c2=O</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C20H23ClN2O3S
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C20H23ClN2O3S
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H23FN2O2S
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. | <answer>C1COc2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H27NO2
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. | <answer>C1COc2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C10H16O5
Degree of Unsaturation (DoU): 3.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1ccoc1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C10H16O5
Degree of Unsaturation (DoU): 3.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU. | <answer>c1cc[nH]c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C11H12ClNO2
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. | <answer>c1ccc2C=CCc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C16H19N3O3S2
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C16H19N3O3S2
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H17NO3S
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. | <answer>O=C1C=CC(=O)c2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H10F3N3O3
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C14H10F3N3O3
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C16H27N3O2
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. | <answer>C1COc2ccccc12</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C13H20N4O2
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. | <answer>c1ccc2C=CCc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H15FN2O2
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C15H15FN2O2
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C19H19F3N2O
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C19H19F3N2O
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C19H20FNO5S
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C19H20FNO5S
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. | <answer>c1ccc2c3ccccc3ccc2c1</answer> | {
"original_format": "scaffold-dataset"
} |
You are a specialized cheminformatics AI assistant. Follow these instructions precisely:
1. **Input:** You will receive a Molecular Formula and its corresponding Degree of Unsaturation (DoU).
2. **Task:** Generate a chemically valid core molecular scaffold represented as a SMILES string.
3. **Constraints:**
* The generated SMILES string *must* be chemically valid.
* The generated scaffold *must* be consistent with the provided Molecular Formula and DoU.
4. **Output:** Respond *only* with the generated SMILES string enclosed in <answer> tags, like this: <answer>SMILES_STRING</answer>
Molecular Formula: C17H19N3O3
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. | <answer>c1ccc2c(c1)C=CC3=CC=CC=C23</answer> | {
"original_format": "scaffold-dataset"
} |
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