instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_66>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_66>. | **Token:** <BB_66>
**SMILES:** Cn1c(I)c(C#N)c(=O)n(C)c1=O
**Molecular Formula:** C7H6IN3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_67>. | Cc1ccc(S(=O)(=O)NCC2CCCCC2)cc1 | |
What is the building block token for the following molecule? | Cc1ccc(S(=O)(=O)NCC2CCCCC2)cc1 | <BB_67> |
What is the molecular formula for <BB_67>? | The molecular formula for <BB_67> (Cc1ccc(S(=O)(=O)NCC2CCCCC2)cc1) is C14H21NO2S. | |
Describe the ring structures in building block <BB_67>. | 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_67>. | The molecule contains the following groups: Secondary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_67>. | **Token:** <BB_67>
**SMILES:** Cc1ccc(S(=O)(=O)NCC2CCCCC2)cc1
**Molecular Formula:** C14H21NO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_68>. | Cc1ccc(NC(=N)N)c(C)c1 | |
What is the building block token for the following molecule? | Cc1ccc(NC(=N)N)c(C)c1 | <BB_68> |
What is the molecular formula for <BB_68>? | The molecular formula for <BB_68> (Cc1ccc(NC(=N)N)c(C)c1) is C9H13N3. | |
Describe the ring structures in building block <BB_68>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_68>. | The molecule contains the following groups: Amine, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_68>. | **Token:** <BB_68>
**SMILES:** Cc1ccc(NC(=N)N)c(C)c1
**Molecular Formula:** C9H13N3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_69>. | Cl.NCc1c[nH]c(=O)c2ccccc12 | |
What is the building block token for the following molecule? | Cl.NCc1c[nH]c(=O)c2ccccc12 | <BB_69> |
What is the molecular formula for <BB_69>? | The molecular formula for <BB_69> (Cl.NCc1c[nH]c(=O)c2ccccc12) is C10H11ClN2O. | |
Describe the ring structures in building block <BB_69>. | 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_69>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_69>. | **Token:** <BB_69>
**SMILES:** Cl.NCc1c[nH]c(=O)c2ccccc12
**Molecular Formula:** C10H11ClN2O
**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_70>. | C[N+](C)(C)COCN=[N+]=[N-].[Cl-] | |
What is the building block token for the following molecule? | C[N+](C)(C)COCN=[N+]=[N-].[Cl-] | <BB_70> |
What is the molecular formula for <BB_70>? | The molecular formula for <BB_70> (C[N+](C)(C)COCN=[N+]=[N-].[Cl-]) is C5H13ClN4O. | |
Describe the ring structures in building block <BB_70>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_70>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_70>. | **Token:** <BB_70>
**SMILES:** C[N+](C)(C)COCN=[N+]=[N-].[Cl-]
**Molecular Formula:** C5H13ClN4O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_71>. | CC(C)C(=O)c1ccc2c(c1)CCCC2 | |
What is the building block token for the following molecule? | CC(C)C(=O)c1ccc2c(c1)CCCC2 | <BB_71> |
What is the molecular formula for <BB_71>? | The molecular formula for <BB_71> (CC(C)C(=O)c1ccc2c(c1)CCCC2) is C14H18O. | |
Describe the ring structures in building block <BB_71>. | 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_71>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_71>. | **Token:** <BB_71>
**SMILES:** CC(C)C(=O)c1ccc2c(c1)CCCC2
**Molecular Formula:** C14H18O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_72>. | Clc1nccc2c(Cl)nccc12 | |
What is the building block token for the following molecule? | Clc1nccc2c(Cl)nccc12 | <BB_72> |
What is the molecular formula for <BB_72>? | The molecular formula for <BB_72> (Clc1nccc2c(Cl)nccc12) is C8H4Cl2N2. | |
Describe the ring structures in building block <BB_72>. | 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_72>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_72>. | **Token:** <BB_72>
**SMILES:** Clc1nccc2c(Cl)nccc12
**Molecular Formula:** C8H4Cl2N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_73>. | CN1C[C@H](OC(C)(C)C)C[C@H]1C(=O)O | |
What is the building block token for the following molecule? | CN1C[C@H](OC(C)(C)C)C[C@H]1C(=O)O | <BB_73> |
What is the molecular formula for <BB_73>? | The molecular formula for <BB_73> (CN1C[C@H](OC(C)(C)C)C[C@H]1C(=O)O) is C10H19NO3. | |
Describe the ring structures in building block <BB_73>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_73>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_73>. | **Token:** <BB_73>
**SMILES:** CN1C[C@H](OC(C)(C)C)C[C@H]1C(=O)O
**Molecular Formula:** C10H19NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_74>. | CCNC(CC)c1ccccc1 | |
What is the building block token for the following molecule? | CCNC(CC)c1ccccc1 | <BB_74> |
What is the molecular formula for <BB_74>? | The molecular formula for <BB_74> (CCNC(CC)c1ccccc1) is C11H17N. | |
Describe the ring structures in building block <BB_74>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_74>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_74>. | **Token:** <BB_74>
**SMILES:** CCNC(CC)c1ccccc1
**Molecular Formula:** C11H17N
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_75>. | Nc1cccc(NC(=O)CO)c1 | |
What is the building block token for the following molecule? | Nc1cccc(NC(=O)CO)c1 | <BB_75> |
What is the molecular formula for <BB_75>? | The molecular formula for <BB_75> (Nc1cccc(NC(=O)CO)c1) is C8H10N2O2. | |
Describe the ring structures in building block <BB_75>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_75>. | The molecule contains the following groups: Amine, Amide, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_75>. | **Token:** <BB_75>
**SMILES:** Nc1cccc(NC(=O)CO)c1
**Molecular Formula:** C8H10N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Alcohol | |
Provide the SMILES representation for the building block token <BB_76>. | c1ccc(-c2cnn(C3CCNCC3)c2)cc1 | |
What is the building block token for the following molecule? | c1ccc(-c2cnn(C3CCNCC3)c2)cc1 | <BB_76> |
What is the molecular formula for <BB_76>? | The molecular formula for <BB_76> (c1ccc(-c2cnn(C3CCNCC3)c2)cc1) is C14H17N3. | |
Describe the ring structures in building block <BB_76>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_76>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_76>. | **Token:** <BB_76>
**SMILES:** c1ccc(-c2cnn(C3CCNCC3)c2)cc1
**Molecular Formula:** C14H17N3
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_77>. | CN(C)c1ccc(F)cc1O | |
What is the building block token for the following molecule? | CN(C)c1ccc(F)cc1O | <BB_77> |
What is the molecular formula for <BB_77>? | The molecular formula for <BB_77> (CN(C)c1ccc(F)cc1O) is C8H10FNO. | |
Describe the ring structures in building block <BB_77>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_77>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_77>. | **Token:** <BB_77>
**SMILES:** CN(C)c1ccc(F)cc1O
**Molecular Formula:** C8H10FNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_78>. | CCOC(=O)Cn1ccc(N)n1 | |
What is the building block token for the following molecule? | CCOC(=O)Cn1ccc(N)n1 | <BB_78> |
What is the molecular formula for <BB_78>? | The molecular formula for <BB_78> (CCOC(=O)Cn1ccc(N)n1) is C7H11N3O2. | |
Describe the ring structures in building block <BB_78>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_78>. | The molecule contains the following groups: Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_78>. | **Token:** <BB_78>
**SMILES:** CCOC(=O)Cn1ccc(N)n1
**Molecular Formula:** C7H11N3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_79>. | OB(O)c1cccc(CC(F)F)c1 | |
What is the building block token for the following molecule? | OB(O)c1cccc(CC(F)F)c1 | <BB_79> |
What is the molecular formula for <BB_79>? | The molecular formula for <BB_79> (OB(O)c1cccc(CC(F)F)c1) is C8H9BF2O2. | |
Describe the ring structures in building block <BB_79>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_79>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_79>. | **Token:** <BB_79>
**SMILES:** OB(O)c1cccc(CC(F)F)c1
**Molecular Formula:** C8H9BF2O2
**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_80>. | O=C(O)Cc1cc(Cl)cc2c1OCOC2 | |
What is the building block token for the following molecule? | O=C(O)Cc1cc(Cl)cc2c1OCOC2 | <BB_80> |
What is the molecular formula for <BB_80>? | The molecular formula for <BB_80> (O=C(O)Cc1cc(Cl)cc2c1OCOC2) is C10H9ClO4. | |
Describe the ring structures in building block <BB_80>. | 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_80>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_80>. | **Token:** <BB_80>
**SMILES:** O=C(O)Cc1cc(Cl)cc2c1OCOC2
**Molecular Formula:** C10H9ClO4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_81>. | CCCNC(=O)CN1CCNCC1 | |
What is the building block token for the following molecule? | CCCNC(=O)CN1CCNCC1 | <BB_81> |
What is the molecular formula for <BB_81>? | The molecular formula for <BB_81> (CCCNC(=O)CN1CCNCC1) is C9H19N3O. | |
Describe the ring structures in building block <BB_81>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_81>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_81>. | **Token:** <BB_81>
**SMILES:** CCCNC(=O)CN1CCNCC1
**Molecular Formula:** C9H19N3O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Amide | |
Provide the SMILES representation for the building block token <BB_82>. | CCOC(=O)CC(C)NC | |
What is the building block token for the following molecule? | CCOC(=O)CC(C)NC | <BB_82> |
What is the molecular formula for <BB_82>? | The molecular formula for <BB_82> (CCOC(=O)CC(C)NC) is C7H15NO2. | |
Describe the ring structures in building block <BB_82>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_82>. | The molecule contains the following groups: Secondary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_82>. | **Token:** <BB_82>
**SMILES:** CCOC(=O)CC(C)NC
**Molecular Formula:** C7H15NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_83>. | O=C([O-])c1nc(C2CC2)cs1.[Na+] | |
What is the building block token for the following molecule? | O=C([O-])c1nc(C2CC2)cs1.[Na+] | <BB_83> |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.