instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_2016>. | The molecule contains the following groups: Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2016>. | **Token:** <BB_2016>
**SMILES:** COc1ccc(C(=O)OC(C)(C)C)c(N)c1
**Molecular Formula:** C12H17NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2017>. | Nc1cnc2c(F)c(F)ccc2c1Cl | |
What is the building block token for the following molecule? | Nc1cnc2c(F)c(F)ccc2c1Cl | <BB_2017> |
What is the molecular formula for <BB_2017>? | The molecular formula for <BB_2017> (Nc1cnc2c(F)c(F)ccc2c1Cl) is C9H5ClF2N2. | |
Describe the ring structures in building block <BB_2017>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2017>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2017>. | **Token:** <BB_2017>
**SMILES:** Nc1cnc2c(F)c(F)ccc2c1Cl
**Molecular Formula:** C9H5ClF2N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2018>. | N#CC1CCCOCC1 | |
What is the building block token for the following molecule? | N#CC1CCCOCC1 | <BB_2018> |
What is the molecular formula for <BB_2018>? | The molecular formula for <BB_2018> (N#CC1CCCOCC1) is C7H11NO. | |
Describe the ring structures in building block <BB_2018>. | The molecule contains 1 ring(s): an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_2018>. | The molecule contains the following groups: Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2018>. | **Token:** <BB_2018>
**SMILES:** N#CC1CCCOCC1
**Molecular Formula:** C7H11NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_2019>. | O=C(O)c1ccc(F)c(F)c1Cl | |
What is the building block token for the following molecule? | O=C(O)c1ccc(F)c(F)c1Cl | <BB_2019> |
What is the molecular formula for <BB_2019>? | The molecular formula for <BB_2019> (O=C(O)c1ccc(F)c(F)c1Cl) is C7H3ClF2O2. | |
Describe the ring structures in building block <BB_2019>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2019>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2019>. | **Token:** <BB_2019>
**SMILES:** O=C(O)c1ccc(F)c(F)c1Cl
**Molecular Formula:** C7H3ClF2O2
**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_2020>. | Cl.NCCSCc1ccsc1 | |
What is the building block token for the following molecule? | Cl.NCCSCc1ccsc1 | <BB_2020> |
What is the molecular formula for <BB_2020>? | The molecular formula for <BB_2020> (Cl.NCCSCc1ccsc1) is C7H12ClNS2. | |
Describe the ring structures in building block <BB_2020>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2020>. | The molecule contains the following groups: Amine, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2020>. | **Token:** <BB_2020>
**SMILES:** Cl.NCCSCc1ccsc1
**Molecular Formula:** C7H12ClNS2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2021>. | O=C(CSc1nnc(S)s1)c1ccccc1 | |
What is the building block token for the following molecule? | O=C(CSc1nnc(S)s1)c1ccccc1 | <BB_2021> |
What is the molecular formula for <BB_2021>? | The molecular formula for <BB_2021> (O=C(CSc1nnc(S)s1)c1ccccc1) is C10H8N2OS3. | |
Describe the ring structures in building block <BB_2021>. | 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_2021>. | The molecule contains the following groups: Ketone, Thiol, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_2021>. | **Token:** <BB_2021>
**SMILES:** O=C(CSc1nnc(S)s1)c1ccccc1
**Molecular Formula:** C10H8N2OS3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ketone, Thiol, Sulfide | |
Provide the SMILES representation for the building block token <BB_2022>. | Br.CN(CCCBr)c1ccccc1 | |
What is the building block token for the following molecule? | Br.CN(CCCBr)c1ccccc1 | <BB_2022> |
What is the molecular formula for <BB_2022>? | The molecular formula for <BB_2022> (Br.CN(CCCBr)c1ccccc1) is C10H15Br2N. | |
Describe the ring structures in building block <BB_2022>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2022>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2022>. | **Token:** <BB_2022>
**SMILES:** Br.CN(CCCBr)c1ccccc1
**Molecular Formula:** C10H15Br2N
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2023>. | Brc1ncc(-c2cccnc2)o1 | |
What is the building block token for the following molecule? | Brc1ncc(-c2cccnc2)o1 | <BB_2023> |
What is the molecular formula for <BB_2023>? | The molecular formula for <BB_2023> (Brc1ncc(-c2cccnc2)o1) is C8H5BrN2O. | |
Describe the ring structures in building block <BB_2023>. | 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_2023>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2023>. | **Token:** <BB_2023>
**SMILES:** Brc1ncc(-c2cccnc2)o1
**Molecular Formula:** C8H5BrN2O
**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_2024>. | Cc1nc(COc2ccc(C(=O)O)cc2)no1 | |
What is the building block token for the following molecule? | Cc1nc(COc2ccc(C(=O)O)cc2)no1 | <BB_2024> |
What is the molecular formula for <BB_2024>? | The molecular formula for <BB_2024> (Cc1nc(COc2ccc(C(=O)O)cc2)no1) is C11H10N2O4. | |
Describe the ring structures in building block <BB_2024>. | 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_2024>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2024>. | **Token:** <BB_2024>
**SMILES:** Cc1nc(COc2ccc(C(=O)O)cc2)no1
**Molecular Formula:** C11H10N2O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_2025>. | CCOC(=O)C1C[C@]2(c3ccc(Cl)cc3)C[C@H]1C2 | |
What is the building block token for the following molecule? | CCOC(=O)C1C[C@]2(c3ccc(Cl)cc3)C[C@H]1C2 | <BB_2025> |
What is the molecular formula for <BB_2025>? | The molecular formula for <BB_2025> (CCOC(=O)C1C[C@]2(c3ccc(Cl)cc3)C[C@H]1C2) is C15H17ClO2. | |
Describe the ring structures in building block <BB_2025>. | The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2025>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2025>. | **Token:** <BB_2025>
**SMILES:** CCOC(=O)C1C[C@]2(c3ccc(Cl)cc3)C[C@H]1C2
**Molecular Formula:** C15H17ClO2
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2026>. | CCCC(=O)c1ncccc1Cl | |
What is the building block token for the following molecule? | CCCC(=O)c1ncccc1Cl | <BB_2026> |
What is the molecular formula for <BB_2026>? | The molecular formula for <BB_2026> (CCCC(=O)c1ncccc1Cl) is C9H10ClNO. | |
Describe the ring structures in building block <BB_2026>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2026>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2026>. | **Token:** <BB_2026>
**SMILES:** CCCC(=O)c1ncccc1Cl
**Molecular Formula:** C9H10ClNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2027>. | O=C(O)CC(C(=O)O)c1ccccc1F | |
What is the building block token for the following molecule? | O=C(O)CC(C(=O)O)c1ccccc1F | <BB_2027> |
What is the molecular formula for <BB_2027>? | The molecular formula for <BB_2027> (O=C(O)CC(C(=O)O)c1ccccc1F) is C10H9FO4. | |
Describe the ring structures in building block <BB_2027>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2027>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2027>. | **Token:** <BB_2027>
**SMILES:** O=C(O)CC(C(=O)O)c1ccccc1F
**Molecular Formula:** C10H9FO4
**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_2028>. | Cc1cc2ccccc2[n+]([O-])c1.Cl | |
What is the building block token for the following molecule? | Cc1cc2ccccc2[n+]([O-])c1.Cl | <BB_2028> |
What is the molecular formula for <BB_2028>? | The molecular formula for <BB_2028> (Cc1cc2ccccc2[n+]([O-])c1.Cl) is C10H10ClNO. | |
Describe the ring structures in building block <BB_2028>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2028>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2028>. | **Token:** <BB_2028>
**SMILES:** Cc1cc2ccccc2[n+]([O-])c1.Cl
**Molecular Formula:** C10H10ClNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2029>. | Nc1cc(C(=O)O)c(F)cn1 | |
What is the building block token for the following molecule? | Nc1cc(C(=O)O)c(F)cn1 | <BB_2029> |
What is the molecular formula for <BB_2029>? | The molecular formula for <BB_2029> (Nc1cc(C(=O)O)c(F)cn1) is C6H5FN2O2. | |
Describe the ring structures in building block <BB_2029>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2029>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2029>. | **Token:** <BB_2029>
**SMILES:** Nc1cc(C(=O)O)c(F)cn1
**Molecular Formula:** C6H5FN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2030>. | COc1cc(C)c(N)cc1OC | |
What is the building block token for the following molecule? | COc1cc(C)c(N)cc1OC | <BB_2030> |
What is the molecular formula for <BB_2030>? | The molecular formula for <BB_2030> (COc1cc(C)c(N)cc1OC) is C9H13NO2. | |
Describe the ring structures in building block <BB_2030>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2030>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2030>. | **Token:** <BB_2030>
**SMILES:** COc1cc(C)c(N)cc1OC
**Molecular Formula:** C9H13NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2031>. | NCCSCC1CC1 | |
What is the building block token for the following molecule? | NCCSCC1CC1 | <BB_2031> |
What is the molecular formula for <BB_2031>? | The molecular formula for <BB_2031> (NCCSCC1CC1) is C6H13NS. | |
Describe the ring structures in building block <BB_2031>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2031>. | The molecule contains the following groups: Amine, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_2031>. | **Token:** <BB_2031>
**SMILES:** NCCSCC1CC1
**Molecular Formula:** C6H13NS
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amine, Sulfide | |
Provide the SMILES representation for the building block token <BB_2032>. | C=CC(C)CCO | |
What is the building block token for the following molecule? | C=CC(C)CCO | <BB_2032> |
What is the molecular formula for <BB_2032>? | The molecular formula for <BB_2032> (C=CC(C)CCO) is C6H12O. | |
Describe the ring structures in building block <BB_2032>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2032>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2032>. | **Token:** <BB_2032>
**SMILES:** C=CC(C)CCO
**Molecular Formula:** C6H12O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_2033>. | CCc1csc(B(O)O)c1 | |
What is the building block token for the following molecule? | CCc1csc(B(O)O)c1 | <BB_2033> |
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