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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: C12H10F2N2O3
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: C20H30N4O2
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: C18H19F3N2O
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: C18H19F3N2O
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: C17H22N2O4
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: C13H23N5OS
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: C19H24N2O4S2
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: C19H24N2O4S2
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: C14H15ClN2OS
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: C13H25N3O3S
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: C13H25N3O3S
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: C20H28FN3O2
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: C17H20N2O3S2
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: C17H20N2O3S2
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: C18H20N2O3S
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: C18H20N2O3S
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: C15H18BrN3O2
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: C17H15F4N3O3
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: C17H15F4N3O3
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: C16H15Cl2NO3
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: C16H15Cl2NO3
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: C16H19F2NO3
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: C16H19F2NO3
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: C13H12BrN3O3
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: C13H12BrN3O3
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: C13H14F3N3O2S
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: C13H14F3N3O2S
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: C14H20N6O2S
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: C19H22N2O3S
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: C19H22N2O3S
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: C13H18N2OS
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: C17H19FN4O3
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: C17H19FN4O3
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: C16H14Cl3NO2
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: C16H14Cl3NO2
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: C15H17N3O3S
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: C15H17N3O3S
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: C14H12Cl2N2O3S
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: C14H12Cl2N2O3S
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: C12H19BrN2O
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: C12H19BrN2O
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: C13H20N2O4S2
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: C20H32N2O4
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: C17H26N2O
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: C19H29N3O3
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: C19H29N3O3
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: C14H20N2O3S
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: C20H29N3O2
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: C19H33N3O3
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: C16H16ClNO3S
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: C16H16ClNO3S
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: C17H23N3O2
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: 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: C17H20N4O2S
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: C17H20N4O2S
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: C15H19BrN2O3
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: C15H19BrN2O3
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: C19H25F3N2O5S
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: C19H25F3N2O5S
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: C16H19FN2O3
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: C18H23N3O3S
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: C18H23N3O3S
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: C15H18F3NO3
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: C17H19N3O2S3
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: C17H19N3O2S3
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: C19H24N2O3
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
<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: C19H24N2O3
Degree of Unsaturation (DoU): 9.0
Generate a chemically valid core molecular scaffold as a SMILES string that is consistent with the given formula and DoU.
|
<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: C18H27N3O2
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: C18H27N3O2
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: C19H27FN2O3
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: C19H27FN2O3
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: C11H15NO3
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: C7H8INO2
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: C7H8INO2
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: C18H21N3O4
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: C18H21N3O4
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: C19H26N2O3S
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: C15H23FN2O2
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: C21H28FN3O2
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: C21H28FN3O2
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: C18H23N3OS2
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: C18H23N3OS2
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: C10H10BrN3S
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: C10H10BrN3S
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: C15H19F2N3O3
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: C15H19F2N3O3
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: C15H15ClN4O
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: C15H15ClN4O
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: C14H19NO
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: C13H20N2O4
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: C10H18N4O2S
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: C10H18N4O2S
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: C14H15ClF3N3
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: C14H15ClF3N3
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: C9H12N6OS
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: C9H12N6OS
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: C18H25ClN2O3
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: C18H25ClN2O3
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: C13H11Cl2N3O3S2
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: C13H11Cl2N3O3S2
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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