instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_1216>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1216>. | **Token:** <BB_1216>
**SMILES:** COc1ncnc(C)c1C(=O)O
**Molecular Formula:** C7H8N2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_1217>. | N#CCc1nccn1Cc1ccccc1 | |
What is the building block token for the following molecule? | N#CCc1nccn1Cc1ccccc1 | <BB_1217> |
What is the molecular formula for <BB_1217>? | The molecular formula for <BB_1217> (N#CCc1nccn1Cc1ccccc1) is C12H11N3. | |
Describe the ring structures in building block <BB_1217>. | 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_1217>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1217>. | **Token:** <BB_1217>
**SMILES:** N#CCc1nccn1Cc1ccccc1
**Molecular Formula:** C12H11N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_1218>. | NCCOc1cnc2[nH]ccc2c1 | |
What is the building block token for the following molecule? | NCCOc1cnc2[nH]ccc2c1 | <BB_1218> |
What is the molecular formula for <BB_1218>? | The molecular formula for <BB_1218> (NCCOc1cnc2[nH]ccc2c1) is C9H11N3O. | |
Describe the ring structures in building block <BB_1218>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1218>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1218>. | **Token:** <BB_1218>
**SMILES:** NCCOc1cnc2[nH]ccc2c1
**Molecular Formula:** C9H11N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1219>. | Cl.NC(=O)[C@H]1CCNC1 | |
What is the building block token for the following molecule? | Cl.NC(=O)[C@H]1CCNC1 | <BB_1219> |
What is the molecular formula for <BB_1219>? | The molecular formula for <BB_1219> (Cl.NC(=O)[C@H]1CCNC1) is C5H11ClN2O. | |
Describe the ring structures in building block <BB_1219>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1219>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1219>. | **Token:** <BB_1219>
**SMILES:** Cl.NC(=O)[C@H]1CCNC1
**Molecular Formula:** C5H11ClN2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1220>. | N#CC1CCCN1Cc1cccnc1 | |
What is the building block token for the following molecule? | N#CC1CCCN1Cc1cccnc1 | <BB_1220> |
What is the molecular formula for <BB_1220>? | The molecular formula for <BB_1220> (N#CC1CCCN1Cc1cccnc1) is C11H13N3. | |
Describe the ring structures in building block <BB_1220>. | 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_1220>. | The molecule contains the following groups: Tertiary Amine, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1220>. | **Token:** <BB_1220>
**SMILES:** N#CC1CCCN1Cc1cccnc1
**Molecular Formula:** C11H13N3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Nitrile | |
Provide the SMILES representation for the building block token <BB_1221>. | O=Cc1cc(Br)cc2cn[nH]c12 | |
What is the building block token for the following molecule? | O=Cc1cc(Br)cc2cn[nH]c12 | <BB_1221> |
What is the molecular formula for <BB_1221>? | The molecular formula for <BB_1221> (O=Cc1cc(Br)cc2cn[nH]c12) is C8H5BrN2O. | |
Describe the ring structures in building block <BB_1221>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1221>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1221>. | **Token:** <BB_1221>
**SMILES:** O=Cc1cc(Br)cc2cn[nH]c12
**Molecular Formula:** C8H5BrN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1222>. | CNc1cnc(Br)cn1 | |
What is the building block token for the following molecule? | CNc1cnc(Br)cn1 | <BB_1222> |
What is the molecular formula for <BB_1222>? | The molecular formula for <BB_1222> (CNc1cnc(Br)cn1) is C5H6BrN3. | |
Describe the ring structures in building block <BB_1222>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1222>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1222>. | **Token:** <BB_1222>
**SMILES:** CNc1cnc(Br)cn1
**Molecular Formula:** C5H6BrN3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1223>. | CC(=O)c1sc(-c2ccccc2F)nc1C | |
What is the building block token for the following molecule? | CC(=O)c1sc(-c2ccccc2F)nc1C | <BB_1223> |
What is the molecular formula for <BB_1223>? | The molecular formula for <BB_1223> (CC(=O)c1sc(-c2ccccc2F)nc1C) is C12H10FNOS. | |
Describe the ring structures in building block <BB_1223>. | 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_1223>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1223>. | **Token:** <BB_1223>
**SMILES:** CC(=O)c1sc(-c2ccccc2F)nc1C
**Molecular Formula:** C12H10FNOS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1224>. | Cc1nn(COc2cccc(F)c2)c(C)c1N | |
What is the building block token for the following molecule? | Cc1nn(COc2cccc(F)c2)c(C)c1N | <BB_1224> |
What is the molecular formula for <BB_1224>? | The molecular formula for <BB_1224> (Cc1nn(COc2cccc(F)c2)c(C)c1N) is C12H14FN3O. | |
Describe the ring structures in building block <BB_1224>. | 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_1224>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1224>. | **Token:** <BB_1224>
**SMILES:** Cc1nn(COc2cccc(F)c2)c(C)c1N
**Molecular Formula:** C12H14FN3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_1225>. | Cl.NC(CO)Cc1ccc(Br)cc1Cl | |
What is the building block token for the following molecule? | Cl.NC(CO)Cc1ccc(Br)cc1Cl | <BB_1225> |
What is the molecular formula for <BB_1225>? | The molecular formula for <BB_1225> (Cl.NC(CO)Cc1ccc(Br)cc1Cl) is C9H12BrCl2NO. | |
Describe the ring structures in building block <BB_1225>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1225>. | The molecule contains the following groups: Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1225>. | **Token:** <BB_1225>
**SMILES:** Cl.NC(CO)Cc1ccc(Br)cc1Cl
**Molecular Formula:** C9H12BrCl2NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1226>. | CCN1CCN(N=O)CC1 | |
What is the building block token for the following molecule? | CCN1CCN(N=O)CC1 | <BB_1226> |
What is the molecular formula for <BB_1226>? | The molecular formula for <BB_1226> (CCN1CCN(N=O)CC1) is C6H13N3O. | |
Describe the ring structures in building block <BB_1226>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1226>. | The molecule contains the following groups: Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1226>. | **Token:** <BB_1226>
**SMILES:** CCN1CCN(N=O)CC1
**Molecular Formula:** C6H13N3O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_1227>. | C=COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 | |
What is the building block token for the following molecule? | C=COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 | <BB_1227> |
What is the molecular formula for <BB_1227>? | The molecular formula for <BB_1227> (C=COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1) is C14H19BO3. | |
Describe the ring structures in building block <BB_1227>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1227>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1227>. | **Token:** <BB_1227>
**SMILES:** C=COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
**Molecular Formula:** C14H19BO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_1228>. | O=[N+]([O-])c1cc(I)cc(CO)c1 | |
What is the building block token for the following molecule? | O=[N+]([O-])c1cc(I)cc(CO)c1 | <BB_1228> |
What is the molecular formula for <BB_1228>? | The molecular formula for <BB_1228> (O=[N+]([O-])c1cc(I)cc(CO)c1) is C7H6INO3. | |
Describe the ring structures in building block <BB_1228>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1228>. | The molecule contains the following groups: Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1228>. | **Token:** <BB_1228>
**SMILES:** O=[N+]([O-])c1cc(I)cc(CO)c1
**Molecular Formula:** C7H6INO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_1229>. | Cc1cc2cc(C(=O)O)ccc2o1 | |
What is the building block token for the following molecule? | Cc1cc2cc(C(=O)O)ccc2o1 | <BB_1229> |
What is the molecular formula for <BB_1229>? | The molecular formula for <BB_1229> (Cc1cc2cc(C(=O)O)ccc2o1) is C10H8O3. | |
Describe the ring structures in building block <BB_1229>. | 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_1229>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1229>. | **Token:** <BB_1229>
**SMILES:** Cc1cc2cc(C(=O)O)ccc2o1
**Molecular Formula:** C10H8O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1230>. | CC(C)(C)OC(=O)N[C@@H]1C[C@H](N)C1(C)C | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N[C@@H]1C[C@H](N)C1(C)C | <BB_1230> |
What is the molecular formula for <BB_1230>? | The molecular formula for <BB_1230> (CC(C)(C)OC(=O)N[C@@H]1C[C@H](N)C1(C)C) is C11H22N2O2. | |
Describe the ring structures in building block <BB_1230>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1230>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1230>. | **Token:** <BB_1230>
**SMILES:** CC(C)(C)OC(=O)N[C@@H]1C[C@H](N)C1(C)C
**Molecular Formula:** C11H22N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1231>. | COCc1csc(N)n1 | |
What is the building block token for the following molecule? | COCc1csc(N)n1 | <BB_1231> |
What is the molecular formula for <BB_1231>? | The molecular formula for <BB_1231> (COCc1csc(N)n1) is C5H8N2OS. | |
Describe the ring structures in building block <BB_1231>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1231>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1231>. | **Token:** <BB_1231>
**SMILES:** COCc1csc(N)n1
**Molecular Formula:** C5H8N2OS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1232>. | CC(C)(C)c1cc(B(O)O)cc(C(C)(C)C)c1O | |
What is the building block token for the following molecule? | CC(C)(C)c1cc(B(O)O)cc(C(C)(C)C)c1O | <BB_1232> |
What is the molecular formula for <BB_1232>? | The molecular formula for <BB_1232> (CC(C)(C)c1cc(B(O)O)cc(C(C)(C)C)c1O) is C14H23BO3. | |
Describe the ring structures in building block <BB_1232>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1232>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1232>. | **Token:** <BB_1232>
**SMILES:** CC(C)(C)c1cc(B(O)O)cc(C(C)(C)C)c1O
**Molecular Formula:** C14H23BO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_1233>. | CS(=O)(=O)c1ccc(C=O)o1 | |
What is the building block token for the following molecule? | CS(=O)(=O)c1ccc(C=O)o1 | <BB_1233> |
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