instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_416>. | The molecule contains the following groups: Ester, Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_416>. | **Token:** <BB_416>
**SMILES:** CCOC(=O)c1cnc2c(C#N)cnn2c1C1CC1
**Molecular Formula:** C13H12N4O2
**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 3.
**Functional Groups:** Ester, Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_417>. | CCCSc1ncc([N+](=O)[O-])c(Cl)n1 | |
What is the building block token for the following molecule? | CCCSc1ncc([N+](=O)[O-])c(Cl)n1 | <BB_417> |
What is the molecular formula for <BB_417>? | The molecular formula for <BB_417> (CCCSc1ncc([N+](=O)[O-])c(Cl)n1) is C7H8ClN3O2S. | |
Describe the ring structures in building block <BB_417>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_417>. | The molecule contains the following groups: Tertiary Amine, Sulfide, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_417>. | **Token:** <BB_417>
**SMILES:** CCCSc1ncc([N+](=O)[O-])c(Cl)n1
**Molecular Formula:** C7H8ClN3O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Sulfide, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_418>. | Nc1ncc(Br)c(OCC(F)(F)F)n1 | |
What is the building block token for the following molecule? | Nc1ncc(Br)c(OCC(F)(F)F)n1 | <BB_418> |
What is the molecular formula for <BB_418>? | The molecular formula for <BB_418> (Nc1ncc(Br)c(OCC(F)(F)F)n1) is C6H5BrF3N3O. | |
Describe the ring structures in building block <BB_418>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_418>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_418>. | **Token:** <BB_418>
**SMILES:** Nc1ncc(Br)c(OCC(F)(F)F)n1
**Molecular Formula:** C6H5BrF3N3O
**Ring System:** The molecule contains 1 ring(s): 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_419>. | COC(=O)c1nn(C)c2c1CCNC2.Cl | |
What is the building block token for the following molecule? | COC(=O)c1nn(C)c2c1CCNC2.Cl | <BB_419> |
What is the molecular formula for <BB_419>? | The molecular formula for <BB_419> (COC(=O)c1nn(C)c2c1CCNC2.Cl) is C9H14ClN3O2. | |
Describe the ring structures in building block <BB_419>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_419>. | The molecule contains the following groups: Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_419>. | **Token:** <BB_419>
**SMILES:** COC(=O)c1nn(C)c2c1CCNC2.Cl
**Molecular Formula:** C9H14ClN3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_420>. | Cl.Cl.NNCCC1CC1 | |
What is the building block token for the following molecule? | Cl.Cl.NNCCC1CC1 | <BB_420> |
What is the molecular formula for <BB_420>? | The molecular formula for <BB_420> (Cl.Cl.NNCCC1CC1) is C5H14Cl2N2. | |
Describe the ring structures in building block <BB_420>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_420>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_420>. | **Token:** <BB_420>
**SMILES:** Cl.Cl.NNCCC1CC1
**Molecular Formula:** C5H14Cl2N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_421>. | CCc1n[nH]c(Cl)c1C(=O)O | |
What is the building block token for the following molecule? | CCc1n[nH]c(Cl)c1C(=O)O | <BB_421> |
What is the molecular formula for <BB_421>? | The molecular formula for <BB_421> (CCc1n[nH]c(Cl)c1C(=O)O) is C6H7ClN2O2. | |
Describe the ring structures in building block <BB_421>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_421>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_421>. | **Token:** <BB_421>
**SMILES:** CCc1n[nH]c(Cl)c1C(=O)O
**Molecular Formula:** C6H7ClN2O2
**Ring System:** The molecule contains 1 ring(s): 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_422>. | OCc1nnc2n1CCCC2 | |
What is the building block token for the following molecule? | OCc1nnc2n1CCCC2 | <BB_422> |
What is the molecular formula for <BB_422>? | The molecular formula for <BB_422> (OCc1nnc2n1CCCC2) is C7H11N3O. | |
Describe the ring structures in building block <BB_422>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_422>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_422>. | **Token:** <BB_422>
**SMILES:** OCc1nnc2n1CCCC2
**Molecular Formula:** C7H11N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_423>. | CC(C)(C)Cc1nc2ccccc2[nH]1 | |
What is the building block token for the following molecule? | CC(C)(C)Cc1nc2ccccc2[nH]1 | <BB_423> |
What is the molecular formula for <BB_423>? | The molecular formula for <BB_423> (CC(C)(C)Cc1nc2ccccc2[nH]1) is C12H16N2. | |
Describe the ring structures in building block <BB_423>. | 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_423>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_423>. | **Token:** <BB_423>
**SMILES:** CC(C)(C)Cc1nc2ccccc2[nH]1
**Molecular Formula:** C12H16N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_424>. | Cc1c[nH]c2cc(Cl)ccc12 | |
What is the building block token for the following molecule? | Cc1c[nH]c2cc(Cl)ccc12 | <BB_424> |
What is the molecular formula for <BB_424>? | The molecular formula for <BB_424> (Cc1c[nH]c2cc(Cl)ccc12) is C9H8ClN. | |
Describe the ring structures in building block <BB_424>. | 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_424>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_424>. | **Token:** <BB_424>
**SMILES:** Cc1c[nH]c2cc(Cl)ccc12
**Molecular Formula:** C9H8ClN
**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_425>. | CCOc1ccc(Br)cc1CC(=O)O | |
What is the building block token for the following molecule? | CCOc1ccc(Br)cc1CC(=O)O | <BB_425> |
What is the molecular formula for <BB_425>? | The molecular formula for <BB_425> (CCOc1ccc(Br)cc1CC(=O)O) is C10H11BrO3. | |
Describe the ring structures in building block <BB_425>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_425>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_425>. | **Token:** <BB_425>
**SMILES:** CCOc1ccc(Br)cc1CC(=O)O
**Molecular Formula:** C10H11BrO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_426>. | CC1(C)CCNc2ccc(Cl)cc21 | |
What is the building block token for the following molecule? | CC1(C)CCNc2ccc(Cl)cc21 | <BB_426> |
What is the molecular formula for <BB_426>? | The molecular formula for <BB_426> (CC1(C)CCNc2ccc(Cl)cc21) is C11H14ClN. | |
Describe the ring structures in building block <BB_426>. | 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_426>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_426>. | **Token:** <BB_426>
**SMILES:** CC1(C)CCNc2ccc(Cl)cc21
**Molecular Formula:** C11H14ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_427>. | CC(C)(C)OC(=O)N1CCC1c1csc(N)n1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC1c1csc(N)n1 | <BB_427> |
What is the molecular formula for <BB_427>? | The molecular formula for <BB_427> (CC(C)(C)OC(=O)N1CCC1c1csc(N)n1) is C11H17N3O2S. | |
Describe the ring structures in building block <BB_427>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_427>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_427>. | **Token:** <BB_427>
**SMILES:** CC(C)(C)OC(=O)N1CCC1c1csc(N)n1
**Molecular Formula:** C11H17N3O2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 5.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_428>. | CSC1(CO)CC1(C)C | |
What is the building block token for the following molecule? | CSC1(CO)CC1(C)C | <BB_428> |
What is the molecular formula for <BB_428>? | The molecular formula for <BB_428> (CSC1(CO)CC1(C)C) is C7H14OS. | |
Describe the ring structures in building block <BB_428>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_428>. | The molecule contains the following groups: Alcohol, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_428>. | **Token:** <BB_428>
**SMILES:** CSC1(CO)CC1(C)C
**Molecular Formula:** C7H14OS
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Alcohol, Sulfide | |
Provide the SMILES representation for the building block token <BB_429>. | CCCn1c(S)nnc1Cc1ccccc1 | |
What is the building block token for the following molecule? | CCCn1c(S)nnc1Cc1ccccc1 | <BB_429> |
What is the molecular formula for <BB_429>? | The molecular formula for <BB_429> (CCCn1c(S)nnc1Cc1ccccc1) is C12H15N3S. | |
Describe the ring structures in building block <BB_429>. | 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_429>. | The molecule contains the following groups: Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_429>. | **Token:** <BB_429>
**SMILES:** CCCn1c(S)nnc1Cc1ccccc1
**Molecular Formula:** C12H15N3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Thiol | |
Provide the SMILES representation for the building block token <BB_430>. | CC(C)Oc1ccc(N)cn1 | |
What is the building block token for the following molecule? | CC(C)Oc1ccc(N)cn1 | <BB_430> |
What is the molecular formula for <BB_430>? | The molecular formula for <BB_430> (CC(C)Oc1ccc(N)cn1) is C8H12N2O. | |
Describe the ring structures in building block <BB_430>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_430>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_430>. | **Token:** <BB_430>
**SMILES:** CC(C)Oc1ccc(N)cn1
**Molecular Formula:** C8H12N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_431>. | [N-]=[N+]=Nc1cc(Br)ccc1C=O | |
What is the building block token for the following molecule? | [N-]=[N+]=Nc1cc(Br)ccc1C=O | <BB_431> |
What is the molecular formula for <BB_431>? | The molecular formula for <BB_431> ([N-]=[N+]=Nc1cc(Br)ccc1C=O) is C7H4BrN3O. | |
Describe the ring structures in building block <BB_431>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_431>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_431>. | **Token:** <BB_431>
**SMILES:** [N-]=[N+]=Nc1cc(Br)ccc1C=O
**Molecular Formula:** C7H4BrN3O
**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_432>. | COC(=O)[C@@H]1C[C@H](N)[C@H]2C[C@H]21.Cl | |
What is the building block token for the following molecule? | COC(=O)[C@@H]1C[C@H](N)[C@H]2C[C@H]21.Cl | <BB_432> |
What is the molecular formula for <BB_432>? | The molecular formula for <BB_432> (COC(=O)[C@@H]1C[C@H](N)[C@H]2C[C@H]21.Cl) is C8H14ClNO2. | |
Describe the ring structures in building block <BB_432>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_432>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_432>. | **Token:** <BB_432>
**SMILES:** COC(=O)[C@@H]1C[C@H](N)[C@H]2C[C@H]21.Cl
**Molecular Formula:** C8H14ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_433>. | Nc1cccc(F)c1-c1nc[nH]n1 | |
What is the building block token for the following molecule? | Nc1cccc(F)c1-c1nc[nH]n1 | <BB_433> |
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