instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_1366>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1366>. | **Token:** <BB_1366>
**SMILES:** Cl.Cl.N[C@@H]1c2ccccc2C[C@@H]1N
**Molecular Formula:** C9H14Cl2N2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1367>. | CCn1cc(CNC)nn1.Cl | |
What is the building block token for the following molecule? | CCn1cc(CNC)nn1.Cl | <BB_1367> |
What is the molecular formula for <BB_1367>? | The molecular formula for <BB_1367> (CCn1cc(CNC)nn1.Cl) is C6H13ClN4. | |
Describe the ring structures in building block <BB_1367>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1367>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1367>. | **Token:** <BB_1367>
**SMILES:** CCn1cc(CNC)nn1.Cl
**Molecular Formula:** C6H13ClN4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1368>. | COC(C)C(C)=O | |
What is the building block token for the following molecule? | COC(C)C(C)=O | <BB_1368> |
What is the molecular formula for <BB_1368>? | The molecular formula for <BB_1368> (COC(C)C(C)=O) is C5H10O2. | |
Describe the ring structures in building block <BB_1368>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1368>. | The molecule contains the following groups: Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1368>. | **Token:** <BB_1368>
**SMILES:** COC(C)C(C)=O
**Molecular Formula:** C5H10O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_1369>. | COC(=O)CCc1cnc(C)o1 | |
What is the building block token for the following molecule? | COC(=O)CCc1cnc(C)o1 | <BB_1369> |
What is the molecular formula for <BB_1369>? | The molecular formula for <BB_1369> (COC(=O)CCc1cnc(C)o1) is C8H11NO3. | |
Describe the ring structures in building block <BB_1369>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1369>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1369>. | **Token:** <BB_1369>
**SMILES:** COC(=O)CCc1cnc(C)o1
**Molecular Formula:** C8H11NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1370>. | NC(CO)CC(O)c1ccccc1 | |
What is the building block token for the following molecule? | NC(CO)CC(O)c1ccccc1 | <BB_1370> |
What is the molecular formula for <BB_1370>? | The molecular formula for <BB_1370> (NC(CO)CC(O)c1ccccc1) is C10H15NO2. | |
Describe the ring structures in building block <BB_1370>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1370>. | The molecule contains the following groups: Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_1370>. | **Token:** <BB_1370>
**SMILES:** NC(CO)CC(O)c1ccccc1
**Molecular Formula:** C10H15NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_1371>. | CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1cc(Br)ccc1F | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1cc(Br)ccc1F | <BB_1371> |
What is the molecular formula for <BB_1371>? | The molecular formula for <BB_1371> (CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1cc(Br)ccc1F) is C14H17BrFNO2. | |
Describe the ring structures in building block <BB_1371>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1371>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1371>. | **Token:** <BB_1371>
**SMILES:** CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1cc(Br)ccc1F
**Molecular Formula:** C14H17BrFNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1372>. | N#CC1(c2cccc(O)c2)CC1 | |
What is the building block token for the following molecule? | N#CC1(c2cccc(O)c2)CC1 | <BB_1372> |
What is the molecular formula for <BB_1372>? | The molecular formula for <BB_1372> (N#CC1(c2cccc(O)c2)CC1) is C10H9NO. | |
Describe the ring structures in building block <BB_1372>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1372>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1372>. | **Token:** <BB_1372>
**SMILES:** N#CC1(c2cccc(O)c2)CC1
**Molecular Formula:** C10H9NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_1373>. | Brc1ncnn1C1CCCC1 | |
What is the building block token for the following molecule? | Brc1ncnn1C1CCCC1 | <BB_1373> |
What is the molecular formula for <BB_1373>? | The molecular formula for <BB_1373> (Brc1ncnn1C1CCCC1) is C7H10BrN3. | |
Describe the ring structures in building block <BB_1373>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1373>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1373>. | **Token:** <BB_1373>
**SMILES:** Brc1ncnn1C1CCCC1
**Molecular Formula:** C7H10BrN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1374>. | C[Si](C)(C)C#Cc1ncc[nH]c1=O | |
What is the building block token for the following molecule? | C[Si](C)(C)C#Cc1ncc[nH]c1=O | <BB_1374> |
What is the molecular formula for <BB_1374>? | The molecular formula for <BB_1374> (C[Si](C)(C)C#Cc1ncc[nH]c1=O) is C9H12N2OSi. | |
Describe the ring structures in building block <BB_1374>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1374>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1374>. | **Token:** <BB_1374>
**SMILES:** C[Si](C)(C)C#Cc1ncc[nH]c1=O
**Molecular Formula:** C9H12N2OSi
**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_1375>. | COc1cc(C)c(C#N)cn1 | |
What is the building block token for the following molecule? | COc1cc(C)c(C#N)cn1 | <BB_1375> |
What is the molecular formula for <BB_1375>? | The molecular formula for <BB_1375> (COc1cc(C)c(C#N)cn1) is C8H8N2O. | |
Describe the ring structures in building block <BB_1375>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1375>. | The molecule contains the following groups: Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1375>. | **Token:** <BB_1375>
**SMILES:** COc1cc(C)c(C#N)cn1
**Molecular Formula:** C8H8N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_1376>. | CCOC(=O)c1nc2ncccc2o1 | |
What is the building block token for the following molecule? | CCOC(=O)c1nc2ncccc2o1 | <BB_1376> |
What is the molecular formula for <BB_1376>? | The molecular formula for <BB_1376> (CCOC(=O)c1nc2ncccc2o1) is C9H8N2O3. | |
Describe the ring structures in building block <BB_1376>. | 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_1376>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1376>. | **Token:** <BB_1376>
**SMILES:** CCOC(=O)c1nc2ncccc2o1
**Molecular Formula:** C9H8N2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1377>. | Cl.NC1(C(=O)OCc2ccccc2)CCC1 | |
What is the building block token for the following molecule? | Cl.NC1(C(=O)OCc2ccccc2)CCC1 | <BB_1377> |
What is the molecular formula for <BB_1377>? | The molecular formula for <BB_1377> (Cl.NC1(C(=O)OCc2ccccc2)CCC1) is C12H16ClNO2. | |
Describe the ring structures in building block <BB_1377>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1377>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1377>. | **Token:** <BB_1377>
**SMILES:** Cl.NC1(C(=O)OCc2ccccc2)CCC1
**Molecular Formula:** C12H16ClNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1378>. | CC(C)(C)OC(=O)NC(CN)c1ccc(F)cc1F | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC(CN)c1ccc(F)cc1F | <BB_1378> |
What is the molecular formula for <BB_1378>? | The molecular formula for <BB_1378> (CC(C)(C)OC(=O)NC(CN)c1ccc(F)cc1F) is C13H18F2N2O2. | |
Describe the ring structures in building block <BB_1378>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1378>. | The molecule contains the following groups: Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1378>. | **Token:** <BB_1378>
**SMILES:** CC(C)(C)OC(=O)NC(CN)c1ccc(F)cc1F
**Molecular Formula:** C13H18F2N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1379>. | CC(C)(C)OC(=O)NC1CCN(S(N)(=O)=O)CC1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC1CCN(S(N)(=O)=O)CC1 | <BB_1379> |
What is the molecular formula for <BB_1379>? | The molecular formula for <BB_1379> (CC(C)(C)OC(=O)NC1CCN(S(N)(=O)=O)CC1) is C10H21N3O4S. | |
Describe the ring structures in building block <BB_1379>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1379>. | The molecule contains the following groups: Amine, Tertiary Amine, Amide, Ether, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1379>. | **Token:** <BB_1379>
**SMILES:** CC(C)(C)OC(=O)NC1CCN(S(N)(=O)=O)CC1
**Molecular Formula:** C10H21N3O4S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Amide, Ether, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1380>. | Cc1nc(CN)c(C(=O)O)o1.Cl.Cl | |
What is the building block token for the following molecule? | Cc1nc(CN)c(C(=O)O)o1.Cl.Cl | <BB_1380> |
What is the molecular formula for <BB_1380>? | The molecular formula for <BB_1380> (Cc1nc(CN)c(C(=O)O)o1.Cl.Cl) is C6H10Cl2N2O3. | |
Describe the ring structures in building block <BB_1380>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1380>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1380>. | **Token:** <BB_1380>
**SMILES:** Cc1nc(CN)c(C(=O)O)o1.Cl.Cl
**Molecular Formula:** C6H10Cl2N2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1381>. | COC(=O)CC(C)=O | |
What is the building block token for the following molecule? | COC(=O)CC(C)=O | <BB_1381> |
What is the molecular formula for <BB_1381>? | The molecular formula for <BB_1381> (COC(=O)CC(C)=O) is C5H8O3. | |
Describe the ring structures in building block <BB_1381>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1381>. | The molecule contains the following groups: Ester, Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1381>. | **Token:** <BB_1381>
**SMILES:** COC(=O)CC(C)=O
**Molecular Formula:** C5H8O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_1382>. | Cc1ccc(C=O)c(Br)c1 | |
What is the building block token for the following molecule? | Cc1ccc(C=O)c(Br)c1 | <BB_1382> |
What is the molecular formula for <BB_1382>? | The molecular formula for <BB_1382> (Cc1ccc(C=O)c(Br)c1) is C8H7BrO. | |
Describe the ring structures in building block <BB_1382>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1382>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1382>. | **Token:** <BB_1382>
**SMILES:** Cc1ccc(C=O)c(Br)c1
**Molecular Formula:** C8H7BrO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1383>. | OC[C@@H]1C[C@H]1CO | |
What is the building block token for the following molecule? | OC[C@@H]1C[C@H]1CO | <BB_1383> |
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