instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_916>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_916>. | **Token:** <BB_916>
**SMILES:** CC(C)(C)Oc1ccc(S(=O)[O-])cn1.[Li+]
**Molecular Formula:** C9H12LiNO3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_917>. | COC[C@H](N)C(=O)OC.Cl | |
What is the building block token for the following molecule? | COC[C@H](N)C(=O)OC.Cl | <BB_917> |
What is the molecular formula for <BB_917>? | The molecular formula for <BB_917> (COC[C@H](N)C(=O)OC.Cl) is C5H12ClNO3. | |
Describe the ring structures in building block <BB_917>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_917>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_917>. | **Token:** <BB_917>
**SMILES:** COC[C@H](N)C(=O)OC.Cl
**Molecular Formula:** C5H12ClNO3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_918>. | CNC(C)C(=O)NC(C)(C)C | |
What is the building block token for the following molecule? | CNC(C)C(=O)NC(C)(C)C | <BB_918> |
What is the molecular formula for <BB_918>? | The molecular formula for <BB_918> (CNC(C)C(=O)NC(C)(C)C) is C8H18N2O. | |
Describe the ring structures in building block <BB_918>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_918>. | The molecule contains the following groups: Secondary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_918>. | **Token:** <BB_918>
**SMILES:** CNC(C)C(=O)NC(C)(C)C
**Molecular Formula:** C8H18N2O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Amide | |
Provide the SMILES representation for the building block token <BB_919>. | CC(C)(C)OC(=O)NCCNCC1CC1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NCCNCC1CC1 | <BB_919> |
What is the molecular formula for <BB_919>? | The molecular formula for <BB_919> (CC(C)(C)OC(=O)NCCNCC1CC1) is C11H22N2O2. | |
Describe the ring structures in building block <BB_919>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_919>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_919>. | **Token:** <BB_919>
**SMILES:** CC(C)(C)OC(=O)NCCNCC1CC1
**Molecular Formula:** C11H22N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_920>. | OCc1ncnn1CC(F)F | |
What is the building block token for the following molecule? | OCc1ncnn1CC(F)F | <BB_920> |
What is the molecular formula for <BB_920>? | The molecular formula for <BB_920> (OCc1ncnn1CC(F)F) is C5H7F2N3O. | |
Describe the ring structures in building block <BB_920>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_920>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_920>. | **Token:** <BB_920>
**SMILES:** OCc1ncnn1CC(F)F
**Molecular Formula:** C5H7F2N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_921>. | CC(C)(C)OC(=O)N1CCCC1C(=O)n1ccnc1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCCC1C(=O)n1ccnc1 | <BB_921> |
What is the molecular formula for <BB_921>? | The molecular formula for <BB_921> (CC(C)(C)OC(=O)N1CCCC1C(=O)n1ccnc1) is C13H19N3O3. | |
Describe the ring structures in building block <BB_921>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_921>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_921>. | **Token:** <BB_921>
**SMILES:** CC(C)(C)OC(=O)N1CCCC1C(=O)n1ccnc1
**Molecular Formula:** C13H19N3O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_922>. | Cc1snc(N)c1C(=O)O.Cl | |
What is the building block token for the following molecule? | Cc1snc(N)c1C(=O)O.Cl | <BB_922> |
What is the molecular formula for <BB_922>? | The molecular formula for <BB_922> (Cc1snc(N)c1C(=O)O.Cl) is C5H7ClN2O2S. | |
Describe the ring structures in building block <BB_922>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_922>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_922>. | **Token:** <BB_922>
**SMILES:** Cc1snc(N)c1C(=O)O.Cl
**Molecular Formula:** C5H7ClN2O2S
**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_923>. | O=Cc1ccc(Br)c(Br)n1 | |
What is the building block token for the following molecule? | O=Cc1ccc(Br)c(Br)n1 | <BB_923> |
What is the molecular formula for <BB_923>? | The molecular formula for <BB_923> (O=Cc1ccc(Br)c(Br)n1) is C6H3Br2NO. | |
Describe the ring structures in building block <BB_923>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_923>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_923>. | **Token:** <BB_923>
**SMILES:** O=Cc1ccc(Br)c(Br)n1
**Molecular Formula:** C6H3Br2NO
**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_924>. | N[C@@H](CC(=O)OCc1ccccc1)C(=O)O | |
What is the building block token for the following molecule? | N[C@@H](CC(=O)OCc1ccccc1)C(=O)O | <BB_924> |
What is the molecular formula for <BB_924>? | The molecular formula for <BB_924> (N[C@@H](CC(=O)OCc1ccccc1)C(=O)O) is C11H13NO4. | |
Describe the ring structures in building block <BB_924>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_924>. | The molecule contains the following groups: Carboxylic Acid, Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_924>. | **Token:** <BB_924>
**SMILES:** N[C@@H](CC(=O)OCc1ccccc1)C(=O)O
**Molecular Formula:** C11H13NO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_925>. | Cc1cc(C(F)(F)F)ccc1CN | |
What is the building block token for the following molecule? | Cc1cc(C(F)(F)F)ccc1CN | <BB_925> |
What is the molecular formula for <BB_925>? | The molecular formula for <BB_925> (Cc1cc(C(F)(F)F)ccc1CN) is C9H10F3N. | |
Describe the ring structures in building block <BB_925>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_925>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_925>. | **Token:** <BB_925>
**SMILES:** Cc1cc(C(F)(F)F)ccc1CN
**Molecular Formula:** C9H10F3N
**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_926>. | O=C1CC2CC(C1)C2 | |
What is the building block token for the following molecule? | O=C1CC2CC(C1)C2 | <BB_926> |
What is the molecular formula for <BB_926>? | The molecular formula for <BB_926> (O=C1CC2CC(C1)C2) is C7H10O. | |
Describe the ring structures in building block <BB_926>. | The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_926>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_926>. | **Token:** <BB_926>
**SMILES:** O=C1CC2CC(C1)C2
**Molecular Formula:** C7H10O
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_927>. | Cn1cnnc1-c1ccc(Br)cc1 | |
What is the building block token for the following molecule? | Cn1cnnc1-c1ccc(Br)cc1 | <BB_927> |
What is the molecular formula for <BB_927>? | The molecular formula for <BB_927> (Cn1cnnc1-c1ccc(Br)cc1) is C9H8BrN3. | |
Describe the ring structures in building block <BB_927>. | 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_927>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_927>. | **Token:** <BB_927>
**SMILES:** Cn1cnnc1-c1ccc(Br)cc1
**Molecular Formula:** C9H8BrN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_928>. | Cl.NCCc1c[nH]c2cc([N+](=O)[O-])ccc12 | |
What is the building block token for the following molecule? | Cl.NCCc1c[nH]c2cc([N+](=O)[O-])ccc12 | <BB_928> |
What is the molecular formula for <BB_928>? | The molecular formula for <BB_928> (Cl.NCCc1c[nH]c2cc([N+](=O)[O-])ccc12) is C10H12ClN3O2. | |
Describe the ring structures in building block <BB_928>. | 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_928>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_928>. | **Token:** <BB_928>
**SMILES:** Cl.NCCc1c[nH]c2cc([N+](=O)[O-])ccc12
**Molecular Formula:** C10H12ClN3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_929>. | Cc1nc(C)c2c(C)c(C(=O)O)sc2n1 | |
What is the building block token for the following molecule? | Cc1nc(C)c2c(C)c(C(=O)O)sc2n1 | <BB_929> |
What is the molecular formula for <BB_929>? | The molecular formula for <BB_929> (Cc1nc(C)c2c(C)c(C(=O)O)sc2n1) is C10H10N2O2S. | |
Describe the ring structures in building block <BB_929>. | 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_929>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_929>. | **Token:** <BB_929>
**SMILES:** Cc1nc(C)c2c(C)c(C(=O)O)sc2n1
**Molecular Formula:** C10H10N2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_930>. | Nc1cc(=O)[nH]c(=O)n1-c1ccc(Br)cc1 | |
What is the building block token for the following molecule? | Nc1cc(=O)[nH]c(=O)n1-c1ccc(Br)cc1 | <BB_930> |
What is the molecular formula for <BB_930>? | The molecular formula for <BB_930> (Nc1cc(=O)[nH]c(=O)n1-c1ccc(Br)cc1) is C10H8BrN3O2. | |
Describe the ring structures in building block <BB_930>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_930>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_930>. | **Token:** <BB_930>
**SMILES:** Nc1cc(=O)[nH]c(=O)n1-c1ccc(Br)cc1
**Molecular Formula:** C10H8BrN3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_931>. | Cc1ncc2c(n1)CNCC2 | |
What is the building block token for the following molecule? | Cc1ncc2c(n1)CNCC2 | <BB_931> |
What is the molecular formula for <BB_931>? | The molecular formula for <BB_931> (Cc1ncc2c(n1)CNCC2) is C8H11N3. | |
Describe the ring structures in building block <BB_931>. | 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_931>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_931>. | **Token:** <BB_931>
**SMILES:** Cc1ncc2c(n1)CNCC2
**Molecular Formula:** C8H11N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_932>. | Cc1cccc(NC(=O)C(C)Cl)c1 | |
What is the building block token for the following molecule? | Cc1cccc(NC(=O)C(C)Cl)c1 | <BB_932> |
What is the molecular formula for <BB_932>? | The molecular formula for <BB_932> (Cc1cccc(NC(=O)C(C)Cl)c1) is C10H12ClNO. | |
Describe the ring structures in building block <BB_932>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_932>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_932>. | **Token:** <BB_932>
**SMILES:** Cc1cccc(NC(=O)C(C)Cl)c1
**Molecular Formula:** C10H12ClNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_933>. | Cc1cnc(NC(=O)c2ccc(Br)o2)s1 | |
What is the building block token for the following molecule? | Cc1cnc(NC(=O)c2ccc(Br)o2)s1 | <BB_933> |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.