instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_9483>? | The molecular formula for <BB_9483> (Nc1nccc(Cl)c1S(=O)(=O)F) is C5H4ClFN2O2S. | |
Describe the ring structures in building block <BB_9483>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9483>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9483>. | **Token:** <BB_9483>
**SMILES:** Nc1nccc(Cl)c1S(=O)(=O)F
**Molecular Formula:** C5H4ClFN2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9484>. | COC(=O)c1cc(F)nc(F)n1 | |
What is the building block token for the following molecule? | COC(=O)c1cc(F)nc(F)n1 | <BB_9484> |
What is the molecular formula for <BB_9484>? | The molecular formula for <BB_9484> (COC(=O)c1cc(F)nc(F)n1) is C6H4F2N2O2. | |
Describe the ring structures in building block <BB_9484>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9484>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9484>. | **Token:** <BB_9484>
**SMILES:** COC(=O)c1cc(F)nc(F)n1
**Molecular Formula:** C6H4F2N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9485>. | CCOC(=O)C(NC)c1cccnc1.Cl.Cl | |
What is the building block token for the following molecule? | CCOC(=O)C(NC)c1cccnc1.Cl.Cl | <BB_9485> |
What is the molecular formula for <BB_9485>? | The molecular formula for <BB_9485> (CCOC(=O)C(NC)c1cccnc1.Cl.Cl) is C10H16Cl2N2O2. | |
Describe the ring structures in building block <BB_9485>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9485>. | The molecule contains the following groups: Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9485>. | **Token:** <BB_9485>
**SMILES:** CCOC(=O)C(NC)c1cccnc1.Cl.Cl
**Molecular Formula:** C10H16Cl2N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9486>. | CCNCC(=O)Nc1ccc(NC(C)=O)cc1 | |
What is the building block token for the following molecule? | CCNCC(=O)Nc1ccc(NC(C)=O)cc1 | <BB_9486> |
What is the molecular formula for <BB_9486>? | The molecular formula for <BB_9486> (CCNCC(=O)Nc1ccc(NC(C)=O)cc1) is C12H17N3O2. | |
Describe the ring structures in building block <BB_9486>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9486>. | The molecule contains the following groups: Secondary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9486>. | **Token:** <BB_9486>
**SMILES:** CCNCC(=O)Nc1ccc(NC(C)=O)cc1
**Molecular Formula:** C12H17N3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide | |
Provide the SMILES representation for the building block token <BB_9487>. | O=C(Cl)Cc1noc2cc(F)ccc12 | |
What is the building block token for the following molecule? | O=C(Cl)Cc1noc2cc(F)ccc12 | <BB_9487> |
What is the molecular formula for <BB_9487>? | The molecular formula for <BB_9487> (O=C(Cl)Cc1noc2cc(F)ccc12) is C9H5ClFNO2. | |
Describe the ring structures in building block <BB_9487>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9487>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9487>. | **Token:** <BB_9487>
**SMILES:** O=C(Cl)Cc1noc2cc(F)ccc12
**Molecular Formula:** C9H5ClFNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9488>. | CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)O)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)O)C1 | <BB_9488> |
What is the molecular formula for <BB_9488>? | The molecular formula for <BB_9488> (CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)O)C1) is C12H21NO4. | |
Describe the ring structures in building block <BB_9488>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9488>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9488>. | **Token:** <BB_9488>
**SMILES:** CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)O)C1
**Molecular Formula:** C12H21NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9489>. | CC(C)(C)n1nc2c(c1C(=O)O)CCCC2 | |
What is the building block token for the following molecule? | CC(C)(C)n1nc2c(c1C(=O)O)CCCC2 | <BB_9489> |
What is the molecular formula for <BB_9489>? | The molecular formula for <BB_9489> (CC(C)(C)n1nc2c(c1C(=O)O)CCCC2) is C12H18N2O2. | |
Describe the ring structures in building block <BB_9489>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9489>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_9489>. | **Token:** <BB_9489>
**SMILES:** CC(C)(C)n1nc2c(c1C(=O)O)CCCC2
**Molecular Formula:** C12H18N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_9490>. | Cn1c(F)nc2ccccc21 | |
What is the building block token for the following molecule? | Cn1c(F)nc2ccccc21 | <BB_9490> |
What is the molecular formula for <BB_9490>? | The molecular formula for <BB_9490> (Cn1c(F)nc2ccccc21) is C8H7FN2. | |
Describe the ring structures in building block <BB_9490>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9490>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9490>. | **Token:** <BB_9490>
**SMILES:** Cn1c(F)nc2ccccc21
**Molecular Formula:** C8H7FN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9491>. | Cl.O=C1CCC2CCNCC2N1 | |
What is the building block token for the following molecule? | Cl.O=C1CCC2CCNCC2N1 | <BB_9491> |
What is the molecular formula for <BB_9491>? | The molecular formula for <BB_9491> (Cl.O=C1CCC2CCNCC2N1) is C8H15ClN2O. | |
Describe the ring structures in building block <BB_9491>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9491>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9491>. | **Token:** <BB_9491>
**SMILES:** Cl.O=C1CCC2CCNCC2N1
**Molecular Formula:** C8H15ClN2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9492>. | Cl.Cl.Cl.Cn1ccnc1C1CNCCN1 | |
What is the building block token for the following molecule? | Cl.Cl.Cl.Cn1ccnc1C1CNCCN1 | <BB_9492> |
What is the molecular formula for <BB_9492>? | The molecular formula for <BB_9492> (Cl.Cl.Cl.Cn1ccnc1C1CNCCN1) is C8H17Cl3N4. | |
Describe the ring structures in building block <BB_9492>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9492>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9492>. | **Token:** <BB_9492>
**SMILES:** Cl.Cl.Cl.Cn1ccnc1C1CNCCN1
**Molecular Formula:** C8H17Cl3N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9493>. | O=C(O)c1cccc(Cl)c1O | |
What is the building block token for the following molecule? | O=C(O)c1cccc(Cl)c1O | <BB_9493> |
What is the molecular formula for <BB_9493>? | The molecular formula for <BB_9493> (O=C(O)c1cccc(Cl)c1O) is C7H5ClO3. | |
Describe the ring structures in building block <BB_9493>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9493>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9493>. | **Token:** <BB_9493>
**SMILES:** O=C(O)c1cccc(Cl)c1O
**Molecular Formula:** C7H5ClO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9494>. | COC(=O)C(C)(O)Cn1cc(Br)cn1 | |
What is the building block token for the following molecule? | COC(=O)C(C)(O)Cn1cc(Br)cn1 | <BB_9494> |
What is the molecular formula for <BB_9494>? | The molecular formula for <BB_9494> (COC(=O)C(C)(O)Cn1cc(Br)cn1) is C8H11BrN2O3. | |
Describe the ring structures in building block <BB_9494>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9494>. | The molecule contains the following groups: Ester, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9494>. | **Token:** <BB_9494>
**SMILES:** COC(=O)C(C)(O)Cn1cc(Br)cn1
**Molecular Formula:** C8H11BrN2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9495>. | CCc1ccc(C(=O)CO)s1 | |
What is the building block token for the following molecule? | CCc1ccc(C(=O)CO)s1 | <BB_9495> |
What is the molecular formula for <BB_9495>? | The molecular formula for <BB_9495> (CCc1ccc(C(=O)CO)s1) is C8H10O2S. | |
Describe the ring structures in building block <BB_9495>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9495>. | The molecule contains the following groups: Ketone, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9495>. | **Token:** <BB_9495>
**SMILES:** CCc1ccc(C(=O)CO)s1
**Molecular Formula:** C8H10O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ketone, Alcohol | |
Provide the SMILES representation for the building block token <BB_9496>. | COC(=O)c1cc(C)c2c(c1)CCCN2 | |
What is the building block token for the following molecule? | COC(=O)c1cc(C)c2c(c1)CCCN2 | <BB_9496> |
What is the molecular formula for <BB_9496>? | The molecular formula for <BB_9496> (COC(=O)c1cc(C)c2c(c1)CCCN2) is C12H15NO2. | |
Describe the ring structures in building block <BB_9496>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9496>. | The molecule contains the following groups: Secondary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9496>. | **Token:** <BB_9496>
**SMILES:** COC(=O)c1cc(C)c2c(c1)CCCN2
**Molecular Formula:** C12H15NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_9497>. | COc1cccc(C(N)CF)c1 | |
What is the building block token for the following molecule? | COc1cccc(C(N)CF)c1 | <BB_9497> |
What is the molecular formula for <BB_9497>? | The molecular formula for <BB_9497> (COc1cccc(C(N)CF)c1) is C9H12FNO. | |
Describe the ring structures in building block <BB_9497>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9497>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9497>. | **Token:** <BB_9497>
**SMILES:** COc1cccc(C(N)CF)c1
**Molecular Formula:** C9H12FNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9498>. | C[C@@H](NC(=O)C1CCOCC1)C(=O)O | |
What is the building block token for the following molecule? | C[C@@H](NC(=O)C1CCOCC1)C(=O)O | <BB_9498> |
What is the molecular formula for <BB_9498>? | The molecular formula for <BB_9498> (C[C@@H](NC(=O)C1CCOCC1)C(=O)O) is C9H15NO4. | |
Describe the ring structures in building block <BB_9498>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9498>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9498>. | **Token:** <BB_9498>
**SMILES:** C[C@@H](NC(=O)C1CCOCC1)C(=O)O
**Molecular Formula:** C9H15NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9499>. | CCn1cc(C(=O)CC(=O)C(F)F)c(C)n1 | |
What is the building block token for the following molecule? | CCn1cc(C(=O)CC(=O)C(F)F)c(C)n1 | <BB_9499> |
What is the molecular formula for <BB_9499>? | The molecular formula for <BB_9499> (CCn1cc(C(=O)CC(=O)C(F)F)c(C)n1) is C10H12F2N2O2. | |
Describe the ring structures in building block <BB_9499>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9499>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9499>. | **Token:** <BB_9499>
**SMILES:** CCn1cc(C(=O)CC(=O)C(F)F)c(C)n1
**Molecular Formula:** C10H12F2N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) |
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