instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_266>. | The molecule contains the following groups: Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_266>. | **Token:** <BB_266>
**SMILES:** CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)C1(C)C
**Molecular Formula:** C12H23NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_267>. | NC(CC1CCCO1)C(=O)O | |
What is the building block token for the following molecule? | NC(CC1CCCO1)C(=O)O | <BB_267> |
What is the molecular formula for <BB_267>? | The molecular formula for <BB_267> (NC(CC1CCCO1)C(=O)O) is C7H13NO3. | |
Describe the ring structures in building block <BB_267>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_267>. | The molecule contains the following groups: Carboxylic Acid, Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_267>. | **Token:** <BB_267>
**SMILES:** NC(CC1CCCO1)C(=O)O
**Molecular Formula:** C7H13NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amine, Ether | |
Provide the SMILES representation for the building block token <BB_268>. | CC1(CC=O)CN(C(=O)OC(C)(C)C)C1 | |
What is the building block token for the following molecule? | CC1(CC=O)CN(C(=O)OC(C)(C)C)C1 | <BB_268> |
What is the molecular formula for <BB_268>? | The molecular formula for <BB_268> (CC1(CC=O)CN(C(=O)OC(C)(C)C)C1) is C11H19NO3. | |
Describe the ring structures in building block <BB_268>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_268>. | The molecule contains the following groups: Amide, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_268>. | **Token:** <BB_268>
**SMILES:** CC1(CC=O)CN(C(=O)OC(C)(C)C)C1
**Molecular Formula:** C11H19NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amide, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_269>. | CCOc1ncc[nH]c1=O | |
What is the building block token for the following molecule? | CCOc1ncc[nH]c1=O | <BB_269> |
What is the molecular formula for <BB_269>? | The molecular formula for <BB_269> (CCOc1ncc[nH]c1=O) is C6H8N2O2. | |
Describe the ring structures in building block <BB_269>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_269>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_269>. | **Token:** <BB_269>
**SMILES:** CCOc1ncc[nH]c1=O
**Molecular Formula:** C6H8N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_270>. | CN1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccnn1C | |
What is the building block token for the following molecule? | CN1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccnn1C | <BB_270> |
What is the molecular formula for <BB_270>? | The molecular formula for <BB_270> (CN1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccnn1C) is C11H15N3O3. | |
Describe the ring structures in building block <BB_270>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_270>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_270>. | **Token:** <BB_270>
**SMILES:** CN1C(=O)CC[C@H](C(=O)O)[C@H]1c1ccnn1C
**Molecular Formula:** C11H15N3O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_271>. | COC(OC)C(=O)C(C)C | |
What is the building block token for the following molecule? | COC(OC)C(=O)C(C)C | <BB_271> |
What is the molecular formula for <BB_271>? | The molecular formula for <BB_271> (COC(OC)C(=O)C(C)C) is C7H14O3. | |
Describe the ring structures in building block <BB_271>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_271>. | The molecule contains the following groups: Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_271>. | **Token:** <BB_271>
**SMILES:** COC(OC)C(=O)C(C)C
**Molecular Formula:** C7H14O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_272>. | O=C1NCCC1Cl | |
What is the building block token for the following molecule? | O=C1NCCC1Cl | <BB_272> |
What is the molecular formula for <BB_272>? | The molecular formula for <BB_272> (O=C1NCCC1Cl) is C4H6ClNO. | |
Describe the ring structures in building block <BB_272>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_272>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_272>. | **Token:** <BB_272>
**SMILES:** O=C1NCCC1Cl
**Molecular Formula:** C4H6ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_273>. | CC(C)c1nsc(=O)o1 | |
What is the building block token for the following molecule? | CC(C)c1nsc(=O)o1 | <BB_273> |
What is the molecular formula for <BB_273>? | The molecular formula for <BB_273> (CC(C)c1nsc(=O)o1) is C5H7NO2S. | |
Describe the ring structures in building block <BB_273>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_273>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_273>. | **Token:** <BB_273>
**SMILES:** CC(C)c1nsc(=O)o1
**Molecular Formula:** C5H7NO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_274>. | CCn1nc(C)c(S(=O)(=O)Cl)c1C | |
What is the building block token for the following molecule? | CCn1nc(C)c(S(=O)(=O)Cl)c1C | <BB_274> |
What is the molecular formula for <BB_274>? | The molecular formula for <BB_274> (CCn1nc(C)c(S(=O)(=O)Cl)c1C) is C7H11ClN2O2S. | |
Describe the ring structures in building block <BB_274>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_274>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_274>. | **Token:** <BB_274>
**SMILES:** CCn1nc(C)c(S(=O)(=O)Cl)c1C
**Molecular Formula:** C7H11ClN2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_275>. | CC(C)(C)C(=O)Nc1ncccc1Cl | |
What is the building block token for the following molecule? | CC(C)(C)C(=O)Nc1ncccc1Cl | <BB_275> |
What is the molecular formula for <BB_275>? | The molecular formula for <BB_275> (CC(C)(C)C(=O)Nc1ncccc1Cl) is C10H13ClN2O. | |
Describe the ring structures in building block <BB_275>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_275>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_275>. | **Token:** <BB_275>
**SMILES:** CC(C)(C)C(=O)Nc1ncccc1Cl
**Molecular Formula:** C10H13ClN2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_276>. | COCCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1 | |
What is the building block token for the following molecule? | COCCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1 | <BB_276> |
What is the molecular formula for <BB_276>? | The molecular formula for <BB_276> (COCCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1) is C13H23NO5. | |
Describe the ring structures in building block <BB_276>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_276>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_276>. | **Token:** <BB_276>
**SMILES:** COCCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1
**Molecular Formula:** C13H23NO5
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_277>. | OCCOC1CC1 | |
What is the building block token for the following molecule? | OCCOC1CC1 | <BB_277> |
What is the molecular formula for <BB_277>? | The molecular formula for <BB_277> (OCCOC1CC1) is C5H10O2. | |
Describe the ring structures in building block <BB_277>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_277>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_277>. | **Token:** <BB_277>
**SMILES:** OCCOC1CC1
**Molecular Formula:** C5H10O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_278>. | O=CC(C1CC1)C1CC1 | |
What is the building block token for the following molecule? | O=CC(C1CC1)C1CC1 | <BB_278> |
What is the molecular formula for <BB_278>? | The molecular formula for <BB_278> (O=CC(C1CC1)C1CC1) is C8H12O. | |
Describe the ring structures in building block <BB_278>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_278>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_278>. | **Token:** <BB_278>
**SMILES:** O=CC(C1CC1)C1CC1
**Molecular Formula:** C8H12O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 3.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_279>. | CC(N)CI.I | |
What is the building block token for the following molecule? | CC(N)CI.I | <BB_279> |
What is the molecular formula for <BB_279>? | The molecular formula for <BB_279> (CC(N)CI.I) is C3H9I2N. | |
Describe the ring structures in building block <BB_279>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_279>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_279>. | **Token:** <BB_279>
**SMILES:** CC(N)CI.I
**Molecular Formula:** C3H9I2N
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_280>. | O=C(O)c1nnn(-c2ccccc2)c1C(F)(F)F | |
What is the building block token for the following molecule? | O=C(O)c1nnn(-c2ccccc2)c1C(F)(F)F | <BB_280> |
What is the molecular formula for <BB_280>? | The molecular formula for <BB_280> (O=C(O)c1nnn(-c2ccccc2)c1C(F)(F)F) is C10H6F3N3O2. | |
Describe the ring structures in building block <BB_280>. | 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_280>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_280>. | **Token:** <BB_280>
**SMILES:** O=C(O)c1nnn(-c2ccccc2)c1C(F)(F)F
**Molecular Formula:** C10H6F3N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_281>. | OC[C@@H]1CN(Cc2ccccc2)C[C@H]1CO | |
What is the building block token for the following molecule? | OC[C@@H]1CN(Cc2ccccc2)C[C@H]1CO | <BB_281> |
What is the molecular formula for <BB_281>? | The molecular formula for <BB_281> (OC[C@@H]1CN(Cc2ccccc2)C[C@H]1CO) is C13H19NO2. | |
Describe the ring structures in building block <BB_281>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_281>. | The molecule contains the following groups: Tertiary Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_281>. | **Token:** <BB_281>
**SMILES:** OC[C@@H]1CN(Cc2ccccc2)C[C@H]1CO
**Molecular Formula:** C13H19NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_282>. | O=Cc1cnn(CC(F)F)c1 | |
What is the building block token for the following molecule? | O=Cc1cnn(CC(F)F)c1 | <BB_282> |
What is the molecular formula for <BB_282>? | The molecular formula for <BB_282> (O=Cc1cnn(CC(F)F)c1) is C6H6F2N2O. | |
Describe the ring structures in building block <BB_282>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_282>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_282>. | **Token:** <BB_282>
**SMILES:** O=Cc1cnn(CC(F)F)c1
**Molecular Formula:** C6H6F2N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_283>. | CC(C)(C)OC(=O)NCCCCCCCCCBr | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NCCCCCCCCCBr | <BB_283> |
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