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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: C22H33N3O3
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: C14H27N3O2
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: C14H27N3O2
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: C18H28N2O3
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: C17H25N3O2
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: C17H25N3O2
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: C15H13NO5
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: C15H13NO5
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: C19H23N3O2
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: C19H23N3O2
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: C14H19NO2
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: C16H13F2NO
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: C16H13F2NO
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: C19H22N2OS
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: C19H22N2OS
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: C10H15NO2S2
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: C10H15NO2S2
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: C17H16Cl2N2O2S2
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: C17H16Cl2N2O2S2
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: C18H30N4O2
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: C10H15ClN2O4S2
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: C10H15ClN2O4S2
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: C13H18F3N3OS
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: C10H10N2O
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: C10H10N2O
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: C17H21NO3
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: C15H18F3N3
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: C15H18F3N3
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: C16H19N5O2S
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: C16H19N5O2S
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: C19H25N5O3
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: C19H25N5O3
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: C15H19N3O2
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: C16H27N3O2S
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: C13H15ClN2O4
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: C13H15ClN2O4
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: C15H18FN5OS
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: C15H18FN5OS
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: C16H22N4O3
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: C13H18O3
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: C10H13N3O2S
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: 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.
|
<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: C12H13BrN2O3S
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: C12H13BrN2O3S
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: C13H16N4O3S
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: C13H15FN4O
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: C18H24N4O3
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: C18H24N4O3
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"
}
|
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