instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_9516>. | The molecule contains the following groups: Ester, Alcohol, Ether, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_9516>. | **Token:** <BB_9516>
**SMILES:** COC(=O)C(O)CCSC
**Molecular Formula:** C6H12O3S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Alcohol, Ether, Sulfide | |
Provide the SMILES representation for the building block token <BB_9517>. | C=C(C)C(=O)NCCOCCOCCN.Cl | |
What is the building block token for the following molecule? | C=C(C)C(=O)NCCOCCOCCN.Cl | <BB_9517> |
What is the molecular formula for <BB_9517>? | The molecular formula for <BB_9517> (C=C(C)C(=O)NCCOCCOCCN.Cl) is C10H21ClN2O3. | |
Describe the ring structures in building block <BB_9517>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9517>. | The molecule contains the following groups: Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9517>. | **Token:** <BB_9517>
**SMILES:** C=C(C)C(=O)NCCOCCOCCN.Cl
**Molecular Formula:** C10H21ClN2O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9518>. | CN1C(=O)CCCc2ccccc21 | |
What is the building block token for the following molecule? | CN1C(=O)CCCc2ccccc21 | <BB_9518> |
What is the molecular formula for <BB_9518>? | The molecular formula for <BB_9518> (CN1C(=O)CCCc2ccccc21) is C11H13NO. | |
Describe the ring structures in building block <BB_9518>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9518>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9518>. | **Token:** <BB_9518>
**SMILES:** CN1C(=O)CCCc2ccccc21
**Molecular Formula:** C11H13NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_9519>. | N#Cc1ccc(-c2nc(CCl)co2)cc1 | |
What is the building block token for the following molecule? | N#Cc1ccc(-c2nc(CCl)co2)cc1 | <BB_9519> |
What is the molecular formula for <BB_9519>? | The molecular formula for <BB_9519> (N#Cc1ccc(-c2nc(CCl)co2)cc1) is C11H7ClN2O. | |
Describe the ring structures in building block <BB_9519>. | 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_9519>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9519>. | **Token:** <BB_9519>
**SMILES:** N#Cc1ccc(-c2nc(CCl)co2)cc1
**Molecular Formula:** C11H7ClN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_9520>. | Cl.NCc1ccc(-c2ccsc2)cc1 | |
What is the building block token for the following molecule? | Cl.NCc1ccc(-c2ccsc2)cc1 | <BB_9520> |
What is the molecular formula for <BB_9520>? | The molecular formula for <BB_9520> (Cl.NCc1ccc(-c2ccsc2)cc1) is C11H12ClNS. | |
Describe the ring structures in building block <BB_9520>. | 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_9520>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9520>. | **Token:** <BB_9520>
**SMILES:** Cl.NCc1ccc(-c2ccsc2)cc1
**Molecular Formula:** C11H12ClNS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9521>. | Cl.Cl.NCCNC(=O)c1ccncc1 | |
What is the building block token for the following molecule? | Cl.Cl.NCCNC(=O)c1ccncc1 | <BB_9521> |
What is the molecular formula for <BB_9521>? | The molecular formula for <BB_9521> (Cl.Cl.NCCNC(=O)c1ccncc1) is C8H13Cl2N3O. | |
Describe the ring structures in building block <BB_9521>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9521>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9521>. | **Token:** <BB_9521>
**SMILES:** Cl.Cl.NCCNC(=O)c1ccncc1
**Molecular Formula:** C8H13Cl2N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9522>. | CC1Cn2ncc(Br)c2CN1.Cl | |
What is the building block token for the following molecule? | CC1Cn2ncc(Br)c2CN1.Cl | <BB_9522> |
What is the molecular formula for <BB_9522>? | The molecular formula for <BB_9522> (CC1Cn2ncc(Br)c2CN1.Cl) is C7H11BrClN3. | |
Describe the ring structures in building block <BB_9522>. | 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_9522>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9522>. | **Token:** <BB_9522>
**SMILES:** CC1Cn2ncc(Br)c2CN1.Cl
**Molecular Formula:** C7H11BrClN3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, 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_9523>. | Cl.Cl.NCCCCNCc1ccccn1 | |
What is the building block token for the following molecule? | Cl.Cl.NCCCCNCc1ccccn1 | <BB_9523> |
What is the molecular formula for <BB_9523>? | The molecular formula for <BB_9523> (Cl.Cl.NCCCCNCc1ccccn1) is C10H19Cl2N3. | |
Describe the ring structures in building block <BB_9523>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9523>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9523>. | **Token:** <BB_9523>
**SMILES:** Cl.Cl.NCCCCNCc1ccccn1
**Molecular Formula:** C10H19Cl2N3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9524>. | Cc1ncc(N)c(N)n1.Cl | |
What is the building block token for the following molecule? | Cc1ncc(N)c(N)n1.Cl | <BB_9524> |
What is the molecular formula for <BB_9524>? | The molecular formula for <BB_9524> (Cc1ncc(N)c(N)n1.Cl) is C5H9ClN4. | |
Describe the ring structures in building block <BB_9524>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9524>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9524>. | **Token:** <BB_9524>
**SMILES:** Cc1ncc(N)c(N)n1.Cl
**Molecular Formula:** C5H9ClN4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9525>. | Cl.NC1COc2cc(F)ccc21 | |
What is the building block token for the following molecule? | Cl.NC1COc2cc(F)ccc21 | <BB_9525> |
What is the molecular formula for <BB_9525>? | The molecular formula for <BB_9525> (Cl.NC1COc2cc(F)ccc21) is C8H9ClFNO. | |
Describe the ring structures in building block <BB_9525>. | 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_9525>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9525>. | **Token:** <BB_9525>
**SMILES:** Cl.NC1COc2cc(F)ccc21
**Molecular Formula:** C8H9ClFNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic 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_9526>. | Cl.c1ccc(C2CCCCN2)cc1 | |
What is the building block token for the following molecule? | Cl.c1ccc(C2CCCCN2)cc1 | <BB_9526> |
What is the molecular formula for <BB_9526>? | The molecular formula for <BB_9526> (Cl.c1ccc(C2CCCCN2)cc1) is C11H16ClN. | |
Describe the ring structures in building block <BB_9526>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9526>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9526>. | **Token:** <BB_9526>
**SMILES:** Cl.c1ccc(C2CCCCN2)cc1
**Molecular Formula:** C11H16ClN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9527>. | CC(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cl | |
What is the building block token for the following molecule? | CC(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cl | <BB_9527> |
What is the molecular formula for <BB_9527>? | The molecular formula for <BB_9527> (CC(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cl) is C8H8ClNO4S. | |
Describe the ring structures in building block <BB_9527>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9527>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9527>. | **Token:** <BB_9527>
**SMILES:** CC(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cl
**Molecular Formula:** C8H8ClNO4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_9528>. | O=P(O)(O)c1ccncc1 | |
What is the building block token for the following molecule? | O=P(O)(O)c1ccncc1 | <BB_9528> |
What is the molecular formula for <BB_9528>? | The molecular formula for <BB_9528> (O=P(O)(O)c1ccncc1) is C5H6NO3P. | |
Describe the ring structures in building block <BB_9528>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9528>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9528>. | **Token:** <BB_9528>
**SMILES:** O=P(O)(O)c1ccncc1
**Molecular Formula:** C5H6NO3P
**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_9529>. | CCO[C@@H]1CCCCC[C@H]1N | |
What is the building block token for the following molecule? | CCO[C@@H]1CCCCC[C@H]1N | <BB_9529> |
What is the molecular formula for <BB_9529>? | The molecular formula for <BB_9529> (CCO[C@@H]1CCCCC[C@H]1N) is C9H19NO. | |
Describe the ring structures in building block <BB_9529>. | The molecule contains 1 ring(s): an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_9529>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9529>. | **Token:** <BB_9529>
**SMILES:** CCO[C@@H]1CCCCC[C@H]1N
**Molecular Formula:** C9H19NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9530>. | OCc1ccc(-n2ccnc2)c(F)c1 | |
What is the building block token for the following molecule? | OCc1ccc(-n2ccnc2)c(F)c1 | <BB_9530> |
What is the molecular formula for <BB_9530>? | The molecular formula for <BB_9530> (OCc1ccc(-n2ccnc2)c(F)c1) is C10H9FN2O. | |
Describe the ring structures in building block <BB_9530>. | 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_9530>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9530>. | **Token:** <BB_9530>
**SMILES:** OCc1ccc(-n2ccnc2)c(F)c1
**Molecular Formula:** C10H9FN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9531>. | CCCCC(=O)NCCc1ccc(OC)cc1 | |
What is the building block token for the following molecule? | CCCCC(=O)NCCc1ccc(OC)cc1 | <BB_9531> |
What is the molecular formula for <BB_9531>? | The molecular formula for <BB_9531> (CCCCC(=O)NCCc1ccc(OC)cc1) is C14H21NO2. | |
Describe the ring structures in building block <BB_9531>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9531>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9531>. | **Token:** <BB_9531>
**SMILES:** CCCCC(=O)NCCc1ccc(OC)cc1
**Molecular Formula:** C14H21NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9532>. | C[C@@H](N)c1cc(Cl)ccc1Br.Cl | |
What is the building block token for the following molecule? | C[C@@H](N)c1cc(Cl)ccc1Br.Cl | <BB_9532> |
What is the molecular formula for <BB_9532>? | The molecular formula for <BB_9532> (C[C@@H](N)c1cc(Cl)ccc1Br.Cl) is C8H10BrCl2N. | |
Describe the ring structures in building block <BB_9532>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9532>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9532>. | **Token:** <BB_9532>
**SMILES:** C[C@@H](N)c1cc(Cl)ccc1Br.Cl
**Molecular Formula:** C8H10BrCl2N
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9533>. | CC(C)(C)OC(=O)N1CCN2C(=O)CCC2C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCN2C(=O)CCC2C1 | <BB_9533> |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.