instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_9583>? | The molecular formula for <BB_9583> (Clc1ncc2ccsc2n1) is C6H3ClN2S. | |
Describe the ring structures in building block <BB_9583>. | 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_9583>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9583>. | **Token:** <BB_9583>
**SMILES:** Clc1ncc2ccsc2n1
**Molecular Formula:** C6H3ClN2S
**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) | |
Provide the SMILES representation for the building block token <BB_9584>. | O=[N+]([O-])c1cc(F)c[n+]([O-])c1 | |
What is the building block token for the following molecule? | O=[N+]([O-])c1cc(F)c[n+]([O-])c1 | <BB_9584> |
What is the molecular formula for <BB_9584>? | The molecular formula for <BB_9584> (O=[N+]([O-])c1cc(F)c[n+]([O-])c1) is C5H3FN2O3. | |
Describe the ring structures in building block <BB_9584>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9584>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9584>. | **Token:** <BB_9584>
**SMILES:** O=[N+]([O-])c1cc(F)c[n+]([O-])c1
**Molecular Formula:** C5H3FN2O3
**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_9585>. | Cl.O=C(O)CSCC1CCCN2CCCCC12 | |
What is the building block token for the following molecule? | Cl.O=C(O)CSCC1CCCN2CCCCC12 | <BB_9585> |
What is the molecular formula for <BB_9585>? | The molecular formula for <BB_9585> (Cl.O=C(O)CSCC1CCCN2CCCCC12) is C12H22ClNO2S. | |
Describe the ring structures in building block <BB_9585>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9585>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9585>. | **Token:** <BB_9585>
**SMILES:** Cl.O=C(O)CSCC1CCCN2CCCCC12
**Molecular Formula:** C12H22ClNO2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9586>. | c1ccc2c(c1)NCC21CCNC1 | |
What is the building block token for the following molecule? | c1ccc2c(c1)NCC21CCNC1 | <BB_9586> |
What is the molecular formula for <BB_9586>? | The molecular formula for <BB_9586> (c1ccc2c(c1)NCC21CCNC1) is C11H14N2. | |
Describe the ring structures in building block <BB_9586>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9586>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9586>. | **Token:** <BB_9586>
**SMILES:** c1ccc2c(c1)NCC21CCNC1
**Molecular Formula:** C11H14N2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_9587>. | COc1ccc(OC)c(C2CCCN2)c1.Cl | |
What is the building block token for the following molecule? | COc1ccc(OC)c(C2CCCN2)c1.Cl | <BB_9587> |
What is the molecular formula for <BB_9587>? | The molecular formula for <BB_9587> (COc1ccc(OC)c(C2CCCN2)c1.Cl) is C12H18ClNO2. | |
Describe the ring structures in building block <BB_9587>. | 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_9587>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9587>. | **Token:** <BB_9587>
**SMILES:** COc1ccc(OC)c(C2CCCN2)c1.Cl
**Molecular Formula:** C12H18ClNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9588>. | NC[C@@H]1CCCNC1 | |
What is the building block token for the following molecule? | NC[C@@H]1CCCNC1 | <BB_9588> |
What is the molecular formula for <BB_9588>? | The molecular formula for <BB_9588> (NC[C@@H]1CCCNC1) is C6H14N2. | |
Describe the ring structures in building block <BB_9588>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9588>. | The molecule contains the following groups: Amine, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9588>. | **Token:** <BB_9588>
**SMILES:** NC[C@@H]1CCCNC1
**Molecular Formula:** C6H14N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_9589>. | Cl.NCC1CC1(Br)Br | |
What is the building block token for the following molecule? | Cl.NCC1CC1(Br)Br | <BB_9589> |
What is the molecular formula for <BB_9589>? | The molecular formula for <BB_9589> (Cl.NCC1CC1(Br)Br) is C4H8Br2ClN. | |
Describe the ring structures in building block <BB_9589>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9589>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9589>. | **Token:** <BB_9589>
**SMILES:** Cl.NCC1CC1(Br)Br
**Molecular Formula:** C4H8Br2ClN
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9590>. | CC(C(N)=NO)n1ccnc1 | |
What is the building block token for the following molecule? | CC(C(N)=NO)n1ccnc1 | <BB_9590> |
What is the molecular formula for <BB_9590>? | The molecular formula for <BB_9590> (CC(C(N)=NO)n1ccnc1) is C6H10N4O. | |
Describe the ring structures in building block <BB_9590>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9590>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9590>. | **Token:** <BB_9590>
**SMILES:** CC(C(N)=NO)n1ccnc1
**Molecular Formula:** C6H10N4O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9591>. | O=C(Cl)C(=O)c1ccc(F)cc1 | |
What is the building block token for the following molecule? | O=C(Cl)C(=O)c1ccc(F)cc1 | <BB_9591> |
What is the molecular formula for <BB_9591>? | The molecular formula for <BB_9591> (O=C(Cl)C(=O)c1ccc(F)cc1) is C8H4ClFO2. | |
Describe the ring structures in building block <BB_9591>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9591>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9591>. | **Token:** <BB_9591>
**SMILES:** O=C(Cl)C(=O)c1ccc(F)cc1
**Molecular Formula:** C8H4ClFO2
**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_9592>. | Cc1cc(CCC(=O)O)ccc1Br | |
What is the building block token for the following molecule? | Cc1cc(CCC(=O)O)ccc1Br | <BB_9592> |
What is the molecular formula for <BB_9592>? | The molecular formula for <BB_9592> (Cc1cc(CCC(=O)O)ccc1Br) is C10H11BrO2. | |
Describe the ring structures in building block <BB_9592>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9592>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9592>. | **Token:** <BB_9592>
**SMILES:** Cc1cc(CCC(=O)O)ccc1Br
**Molecular Formula:** C10H11BrO2
**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_9593>. | CCN(CC)c1nc(=NN)nc(N(CC)CC)[nH]1 | |
What is the building block token for the following molecule? | CCN(CC)c1nc(=NN)nc(N(CC)CC)[nH]1 | <BB_9593> |
What is the molecular formula for <BB_9593>? | The molecular formula for <BB_9593> (CCN(CC)c1nc(=NN)nc(N(CC)CC)[nH]1) is C11H23N7. | |
Describe the ring structures in building block <BB_9593>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9593>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9593>. | **Token:** <BB_9593>
**SMILES:** CCN(CC)c1nc(=NN)nc(N(CC)CC)[nH]1
**Molecular Formula:** C11H23N7
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_9594>. | CC12CCCCN1C(=O)NC2 | |
What is the building block token for the following molecule? | CC12CCCCN1C(=O)NC2 | <BB_9594> |
What is the molecular formula for <BB_9594>? | The molecular formula for <BB_9594> (CC12CCCCN1C(=O)NC2) is C8H14N2O. | |
Describe the ring structures in building block <BB_9594>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9594>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9594>. | **Token:** <BB_9594>
**SMILES:** CC12CCCCN1C(=O)NC2
**Molecular Formula:** C8H14N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_9595>. | Fc1ccc(NCc2ccco2)c(F)c1 | |
What is the building block token for the following molecule? | Fc1ccc(NCc2ccco2)c(F)c1 | <BB_9595> |
What is the molecular formula for <BB_9595>? | The molecular formula for <BB_9595> (Fc1ccc(NCc2ccco2)c(F)c1) is C11H9F2NO. | |
Describe the ring structures in building block <BB_9595>. | 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_9595>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9595>. | **Token:** <BB_9595>
**SMILES:** Fc1ccc(NCc2ccco2)c(F)c1
**Molecular Formula:** C11H9F2NO
**Ring System:** The molecule contains 2 ring(s): an aromatic 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_9596>. | CCc1ccc(C)cc1CBr | |
What is the building block token for the following molecule? | CCc1ccc(C)cc1CBr | <BB_9596> |
What is the molecular formula for <BB_9596>? | The molecular formula for <BB_9596> (CCc1ccc(C)cc1CBr) is C10H13Br. | |
Describe the ring structures in building block <BB_9596>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9596>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9596>. | **Token:** <BB_9596>
**SMILES:** CCc1ccc(C)cc1CBr
**Molecular Formula:** C10H13Br
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9597>. | CN1C(=O)CCc2cc(C(=O)CBr)ccc21 | |
What is the building block token for the following molecule? | CN1C(=O)CCc2cc(C(=O)CBr)ccc21 | <BB_9597> |
What is the molecular formula for <BB_9597>? | The molecular formula for <BB_9597> (CN1C(=O)CCc2cc(C(=O)CBr)ccc21) is C12H12BrNO2. | |
Describe the ring structures in building block <BB_9597>. | 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_9597>. | The molecule contains the following groups: Amide, Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9597>. | **Token:** <BB_9597>
**SMILES:** CN1C(=O)CCc2cc(C(=O)CBr)ccc21
**Molecular Formula:** C12H12BrNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide, Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9598>. | CN(CC1CC1)C(=O)CCl | |
What is the building block token for the following molecule? | CN(CC1CC1)C(=O)CCl | <BB_9598> |
What is the molecular formula for <BB_9598>? | The molecular formula for <BB_9598> (CN(CC1CC1)C(=O)CCl) is C7H12ClNO. | |
Describe the ring structures in building block <BB_9598>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9598>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9598>. | **Token:** <BB_9598>
**SMILES:** CN(CC1CC1)C(=O)CCl
**Molecular Formula:** C7H12ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9599>. | CC1(C)OCC(CCN)CO1 | |
What is the building block token for the following molecule? | CC1(C)OCC(CCN)CO1 | <BB_9599> |
What is the molecular formula for <BB_9599>? | The molecular formula for <BB_9599> (CC1(C)OCC(CCN)CO1) is C8H17NO2. | |
Describe the ring structures in building block <BB_9599>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9599>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9599>. | **Token:** <BB_9599>
**SMILES:** CC1(C)OCC(CCN)CO1
**Molecular Formula:** C8H17NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Ether |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.