instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_2366>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2366>. | **Token:** <BB_2366>
**SMILES:** CN(C)S(=O)(=O)N1CCNCC1.Cl
**Molecular Formula:** C6H16ClN3O2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2367>. | CC(C)(C)OC(=O)N1CCCC1c1nccc(N)n1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCCC1c1nccc(N)n1 | <BB_2367> |
What is the molecular formula for <BB_2367>? | The molecular formula for <BB_2367> (CC(C)(C)OC(=O)N1CCCC1c1nccc(N)n1) is C13H20N4O2. | |
Describe the ring structures in building block <BB_2367>. | 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_2367>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2367>. | **Token:** <BB_2367>
**SMILES:** CC(C)(C)OC(=O)N1CCCC1c1nccc(N)n1
**Molecular Formula:** C13H20N4O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2368>. | CC1(C)CCCC2(CO2)C1 | |
What is the building block token for the following molecule? | CC1(C)CCCC2(CO2)C1 | <BB_2368> |
What is the molecular formula for <BB_2368>? | The molecular formula for <BB_2368> (CC1(C)CCCC2(CO2)C1) is C9H16O. | |
Describe the ring structures in building block <BB_2368>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2368>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2368>. | **Token:** <BB_2368>
**SMILES:** CC1(C)CCCC2(CO2)C1
**Molecular Formula:** C9H16O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_2369>. | O=C(CCl)NCCCCNC(=O)CCl | |
What is the building block token for the following molecule? | O=C(CCl)NCCCCNC(=O)CCl | <BB_2369> |
What is the molecular formula for <BB_2369>? | The molecular formula for <BB_2369> (O=C(CCl)NCCCCNC(=O)CCl) is C8H14Cl2N2O2. | |
Describe the ring structures in building block <BB_2369>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2369>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2369>. | **Token:** <BB_2369>
**SMILES:** O=C(CCl)NCCCCNC(=O)CCl
**Molecular Formula:** C8H14Cl2N2O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2370>. | CC(C)(C)OC(=O)N1C2CCC1c1cn[nH]c1C2 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1C2CCC1c1cn[nH]c1C2 | <BB_2370> |
What is the molecular formula for <BB_2370>? | The molecular formula for <BB_2370> (CC(C)(C)OC(=O)N1C2CCC1c1cn[nH]c1C2) is C13H19N3O2. | |
Describe the ring structures in building block <BB_2370>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2370>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2370>. | **Token:** <BB_2370>
**SMILES:** CC(C)(C)OC(=O)N1C2CCC1c1cn[nH]c1C2
**Molecular Formula:** C13H19N3O2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2371>. | COC(=O)c1nc(Br)n2c1CCC2 | |
What is the building block token for the following molecule? | COC(=O)c1nc(Br)n2c1CCC2 | <BB_2371> |
What is the molecular formula for <BB_2371>? | The molecular formula for <BB_2371> (COC(=O)c1nc(Br)n2c1CCC2) is C8H9BrN2O2. | |
Describe the ring structures in building block <BB_2371>. | 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_2371>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2371>. | **Token:** <BB_2371>
**SMILES:** COC(=O)c1nc(Br)n2c1CCC2
**Molecular Formula:** C8H9BrN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_2372>. | N#CCCn1cc(C=O)c(-c2ccccc2Br)n1 | |
What is the building block token for the following molecule? | N#CCCn1cc(C=O)c(-c2ccccc2Br)n1 | <BB_2372> |
What is the molecular formula for <BB_2372>? | The molecular formula for <BB_2372> (N#CCCn1cc(C=O)c(-c2ccccc2Br)n1) is C13H10BrN3O. | |
Describe the ring structures in building block <BB_2372>. | 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_2372>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2372>. | **Token:** <BB_2372>
**SMILES:** N#CCCn1cc(C=O)c(-c2ccccc2Br)n1
**Molecular Formula:** C13H10BrN3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_2373>. | O=C(O)c1ccc(-n2cnnn2)c(Cl)c1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc(-n2cnnn2)c(Cl)c1 | <BB_2373> |
What is the molecular formula for <BB_2373>? | The molecular formula for <BB_2373> (O=C(O)c1ccc(-n2cnnn2)c(Cl)c1) is C8H5ClN4O2. | |
Describe the ring structures in building block <BB_2373>. | 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_2373>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2373>. | **Token:** <BB_2373>
**SMILES:** O=C(O)c1ccc(-n2cnnn2)c(Cl)c1
**Molecular Formula:** C8H5ClN4O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2374>. | O=Cc1ccc(OCC2CC2)cc1 | |
What is the building block token for the following molecule? | O=Cc1ccc(OCC2CC2)cc1 | <BB_2374> |
What is the molecular formula for <BB_2374>? | The molecular formula for <BB_2374> (O=Cc1ccc(OCC2CC2)cc1) is C11H12O2. | |
Describe the ring structures in building block <BB_2374>. | 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_2374>. | The molecule contains the following groups: Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2374>. | **Token:** <BB_2374>
**SMILES:** O=Cc1ccc(OCC2CC2)cc1
**Molecular Formula:** C11H12O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_2375>. | Cl.N[C@H]1CCCc2c(C(=O)O)cccc21 | |
What is the building block token for the following molecule? | Cl.N[C@H]1CCCc2c(C(=O)O)cccc21 | <BB_2375> |
What is the molecular formula for <BB_2375>? | The molecular formula for <BB_2375> (Cl.N[C@H]1CCCc2c(C(=O)O)cccc21) is C11H14ClNO2. | |
Describe the ring structures in building block <BB_2375>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2375>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2375>. | **Token:** <BB_2375>
**SMILES:** Cl.N[C@H]1CCCc2c(C(=O)O)cccc21
**Molecular Formula:** C11H14ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, 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_2376>. | COc1cc(CN)ccc1C#N | |
What is the building block token for the following molecule? | COc1cc(CN)ccc1C#N | <BB_2376> |
What is the molecular formula for <BB_2376>? | The molecular formula for <BB_2376> (COc1cc(CN)ccc1C#N) is C9H10N2O. | |
Describe the ring structures in building block <BB_2376>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2376>. | The molecule contains the following groups: Amine, Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2376>. | **Token:** <BB_2376>
**SMILES:** COc1cc(CN)ccc1C#N
**Molecular Formula:** C9H10N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_2377>. | COC(=O)c1cc(Br)cc(Br)c1 | |
What is the building block token for the following molecule? | COC(=O)c1cc(Br)cc(Br)c1 | <BB_2377> |
What is the molecular formula for <BB_2377>? | The molecular formula for <BB_2377> (COC(=O)c1cc(Br)cc(Br)c1) is C8H6Br2O2. | |
Describe the ring structures in building block <BB_2377>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2377>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2377>. | **Token:** <BB_2377>
**SMILES:** COC(=O)c1cc(Br)cc(Br)c1
**Molecular Formula:** C8H6Br2O2
**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_2378>. | CC(O)c1ccno1 | |
What is the building block token for the following molecule? | CC(O)c1ccno1 | <BB_2378> |
What is the molecular formula for <BB_2378>? | The molecular formula for <BB_2378> (CC(O)c1ccno1) is C5H7NO2. | |
Describe the ring structures in building block <BB_2378>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2378>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2378>. | **Token:** <BB_2378>
**SMILES:** CC(O)c1ccno1
**Molecular Formula:** C5H7NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_2379>. | CC(=CCO)C(C)C | |
What is the building block token for the following molecule? | CC(=CCO)C(C)C | <BB_2379> |
What is the molecular formula for <BB_2379>? | The molecular formula for <BB_2379> (CC(=CCO)C(C)C) is C7H14O. | |
Describe the ring structures in building block <BB_2379>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2379>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2379>. | **Token:** <BB_2379>
**SMILES:** CC(=CCO)C(C)C
**Molecular Formula:** C7H14O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_2380>. | CC1(C)CCCN1C(=O)CCl | |
What is the building block token for the following molecule? | CC1(C)CCCN1C(=O)CCl | <BB_2380> |
What is the molecular formula for <BB_2380>? | The molecular formula for <BB_2380> (CC1(C)CCCN1C(=O)CCl) is C8H14ClNO. | |
Describe the ring structures in building block <BB_2380>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2380>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2380>. | **Token:** <BB_2380>
**SMILES:** CC1(C)CCCN1C(=O)CCl
**Molecular Formula:** C8H14ClNO
**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_2381>. | CC(C)(C)OC(=O)NC(CC(=O)O)c1ccccc1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC(CC(=O)O)c1ccccc1 | <BB_2381> |
What is the molecular formula for <BB_2381>? | The molecular formula for <BB_2381> (CC(C)(C)OC(=O)NC(CC(=O)O)c1ccccc1) is C14H19NO4. | |
Describe the ring structures in building block <BB_2381>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2381>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2381>. | **Token:** <BB_2381>
**SMILES:** CC(C)(C)OC(=O)NC(CC(=O)O)c1ccccc1
**Molecular Formula:** C14H19NO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2382>. | O=C1CSCc2occc21 | |
What is the building block token for the following molecule? | O=C1CSCc2occc21 | <BB_2382> |
What is the molecular formula for <BB_2382>? | The molecular formula for <BB_2382> (O=C1CSCc2occc21) is C7H6O2S. | |
Describe the ring structures in building block <BB_2382>. | 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_2382>. | The molecule contains the following groups: Ketone, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_2382>. | **Token:** <BB_2382>
**SMILES:** O=C1CSCc2occc21
**Molecular Formula:** C7H6O2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ketone, Sulfide | |
Provide the SMILES representation for the building block token <BB_2383>. | CS(=N)(=O)c1cccc(C(F)(F)F)c1.Cl | |
What is the building block token for the following molecule? | CS(=N)(=O)c1cccc(C(F)(F)F)c1.Cl | <BB_2383> |
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