instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_2516>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2516>. | **Token:** <BB_2516>
**SMILES:** CC(N)c1cc2c(s1)CCCC2.Cl
**Molecular Formula:** C10H16ClNS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2517>. | Cl.O=C(N1CCCCC1)N1CCNCC1 | |
What is the building block token for the following molecule? | Cl.O=C(N1CCCCC1)N1CCNCC1 | <BB_2517> |
What is the molecular formula for <BB_2517>? | The molecular formula for <BB_2517> (Cl.O=C(N1CCCCC1)N1CCNCC1) is C10H20ClN3O. | |
Describe the ring structures in building block <BB_2517>. | 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_2517>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2517>. | **Token:** <BB_2517>
**SMILES:** Cl.O=C(N1CCCCC1)N1CCNCC1
**Molecular Formula:** C10H20ClN3O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2518>. | C#CCOC(C)CN.Cl | |
What is the building block token for the following molecule? | C#CCOC(C)CN.Cl | <BB_2518> |
What is the molecular formula for <BB_2518>? | The molecular formula for <BB_2518> (C#CCOC(C)CN.Cl) is C6H12ClNO. | |
Describe the ring structures in building block <BB_2518>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2518>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2518>. | **Token:** <BB_2518>
**SMILES:** C#CCOC(C)CN.Cl
**Molecular Formula:** C6H12ClNO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2519>. | CCOC(=O)CC1CCNC1(C)C.Cl | |
What is the building block token for the following molecule? | CCOC(=O)CC1CCNC1(C)C.Cl | <BB_2519> |
What is the molecular formula for <BB_2519>? | The molecular formula for <BB_2519> (CCOC(=O)CC1CCNC1(C)C.Cl) is C10H20ClNO2. | |
Describe the ring structures in building block <BB_2519>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2519>. | 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_2519>. | **Token:** <BB_2519>
**SMILES:** CCOC(=O)CC1CCNC1(C)C.Cl
**Molecular Formula:** C10H20ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2520>. | Cc1cnncc1CN.Cl.Cl | |
What is the building block token for the following molecule? | Cc1cnncc1CN.Cl.Cl | <BB_2520> |
What is the molecular formula for <BB_2520>? | The molecular formula for <BB_2520> (Cc1cnncc1CN.Cl.Cl) is C6H11Cl2N3. | |
Describe the ring structures in building block <BB_2520>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2520>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2520>. | **Token:** <BB_2520>
**SMILES:** Cc1cnncc1CN.Cl.Cl
**Molecular Formula:** C6H11Cl2N3
**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_2521>. | Cc1cc(CS(N)(=O)=O)ccc1Br | |
What is the building block token for the following molecule? | Cc1cc(CS(N)(=O)=O)ccc1Br | <BB_2521> |
What is the molecular formula for <BB_2521>? | The molecular formula for <BB_2521> (Cc1cc(CS(N)(=O)=O)ccc1Br) is C8H10BrNO2S. | |
Describe the ring structures in building block <BB_2521>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2521>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2521>. | **Token:** <BB_2521>
**SMILES:** Cc1cc(CS(N)(=O)=O)ccc1Br
**Molecular Formula:** C8H10BrNO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2522>. | CS(=O)(=O)c1ccc(=O)[nH]c1 | |
What is the building block token for the following molecule? | CS(=O)(=O)c1ccc(=O)[nH]c1 | <BB_2522> |
What is the molecular formula for <BB_2522>? | The molecular formula for <BB_2522> (CS(=O)(=O)c1ccc(=O)[nH]c1) is C6H7NO3S. | |
Describe the ring structures in building block <BB_2522>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2522>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2522>. | **Token:** <BB_2522>
**SMILES:** CS(=O)(=O)c1ccc(=O)[nH]c1
**Molecular Formula:** C6H7NO3S
**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_2523>. | O=C(O)[C@H]1C[C@H](OC(F)(F)F)C1 | |
What is the building block token for the following molecule? | O=C(O)[C@H]1C[C@H](OC(F)(F)F)C1 | <BB_2523> |
What is the molecular formula for <BB_2523>? | The molecular formula for <BB_2523> (O=C(O)[C@H]1C[C@H](OC(F)(F)F)C1) is C6H7F3O3. | |
Describe the ring structures in building block <BB_2523>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2523>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2523>. | **Token:** <BB_2523>
**SMILES:** O=C(O)[C@H]1C[C@H](OC(F)(F)F)C1
**Molecular Formula:** C6H7F3O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2524>. | C[C@@H](CC(F)(F)F)C(=O)O | |
What is the building block token for the following molecule? | C[C@@H](CC(F)(F)F)C(=O)O | <BB_2524> |
What is the molecular formula for <BB_2524>? | The molecular formula for <BB_2524> (C[C@@H](CC(F)(F)F)C(=O)O) is C5H7F3O2. | |
Describe the ring structures in building block <BB_2524>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2524>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2524>. | **Token:** <BB_2524>
**SMILES:** C[C@@H](CC(F)(F)F)C(=O)O
**Molecular Formula:** C5H7F3O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2525>. | Cc1cc(Br)cc([C@@H]2C[C@H]2C(=O)O)c1 | |
What is the building block token for the following molecule? | Cc1cc(Br)cc([C@@H]2C[C@H]2C(=O)O)c1 | <BB_2525> |
What is the molecular formula for <BB_2525>? | The molecular formula for <BB_2525> (Cc1cc(Br)cc([C@@H]2C[C@H]2C(=O)O)c1) is C11H11BrO2. | |
Describe the ring structures in building block <BB_2525>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2525>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2525>. | **Token:** <BB_2525>
**SMILES:** Cc1cc(Br)cc([C@@H]2C[C@H]2C(=O)O)c1
**Molecular Formula:** C11H11BrO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2526>. | O=C(O)c1cc(S(=O)(=O)CC2CC2)ccc1F | |
What is the building block token for the following molecule? | O=C(O)c1cc(S(=O)(=O)CC2CC2)ccc1F | <BB_2526> |
What is the molecular formula for <BB_2526>? | The molecular formula for <BB_2526> (O=C(O)c1cc(S(=O)(=O)CC2CC2)ccc1F) is C11H11FO4S. | |
Describe the ring structures in building block <BB_2526>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2526>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2526>. | **Token:** <BB_2526>
**SMILES:** O=C(O)c1cc(S(=O)(=O)CC2CC2)ccc1F
**Molecular Formula:** C11H11FO4S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2527>. | C[C@H](N)c1cc(Cl)cc(C(F)(F)F)c1.Cl | |
What is the building block token for the following molecule? | C[C@H](N)c1cc(Cl)cc(C(F)(F)F)c1.Cl | <BB_2527> |
What is the molecular formula for <BB_2527>? | The molecular formula for <BB_2527> (C[C@H](N)c1cc(Cl)cc(C(F)(F)F)c1.Cl) is C9H10Cl2F3N. | |
Describe the ring structures in building block <BB_2527>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2527>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2527>. | **Token:** <BB_2527>
**SMILES:** C[C@H](N)c1cc(Cl)cc(C(F)(F)F)c1.Cl
**Molecular Formula:** C9H10Cl2F3N
**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_2528>. | FC(F)COc1ccnc(Cl)c1 | |
What is the building block token for the following molecule? | FC(F)COc1ccnc(Cl)c1 | <BB_2528> |
What is the molecular formula for <BB_2528>? | The molecular formula for <BB_2528> (FC(F)COc1ccnc(Cl)c1) is C7H6ClF2NO. | |
Describe the ring structures in building block <BB_2528>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2528>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2528>. | **Token:** <BB_2528>
**SMILES:** FC(F)COc1ccnc(Cl)c1
**Molecular Formula:** C7H6ClF2NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2529>. | CCn1cc(CCl)nn1 | |
What is the building block token for the following molecule? | CCn1cc(CCl)nn1 | <BB_2529> |
What is the molecular formula for <BB_2529>? | The molecular formula for <BB_2529> (CCn1cc(CCl)nn1) is C5H8ClN3. | |
Describe the ring structures in building block <BB_2529>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2529>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2529>. | **Token:** <BB_2529>
**SMILES:** CCn1cc(CCl)nn1
**Molecular Formula:** C5H8ClN3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2530>. | Cl.O=C(O)C1(C2CCNCC2)CCOCC1 | |
What is the building block token for the following molecule? | Cl.O=C(O)C1(C2CCNCC2)CCOCC1 | <BB_2530> |
What is the molecular formula for <BB_2530>? | The molecular formula for <BB_2530> (Cl.O=C(O)C1(C2CCNCC2)CCOCC1) is C11H20ClNO3. | |
Describe the ring structures in building block <BB_2530>. | 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_2530>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2530>. | **Token:** <BB_2530>
**SMILES:** Cl.O=C(O)C1(C2CCNCC2)CCOCC1
**Molecular Formula:** C11H20ClNO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2531>. | N#CCCOc1ccccc1 | |
What is the building block token for the following molecule? | N#CCCOc1ccccc1 | <BB_2531> |
What is the molecular formula for <BB_2531>? | The molecular formula for <BB_2531> (N#CCCOc1ccccc1) is C9H9NO. | |
Describe the ring structures in building block <BB_2531>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2531>. | The molecule contains the following groups: Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2531>. | **Token:** <BB_2531>
**SMILES:** N#CCCOc1ccccc1
**Molecular Formula:** C9H9NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_2532>. | C[C@@H]1O[C@@H]1P(=O)([O-])[O-].[Ca+2] | |
What is the building block token for the following molecule? | C[C@@H]1O[C@@H]1P(=O)([O-])[O-].[Ca+2] | <BB_2532> |
What is the molecular formula for <BB_2532>? | The molecular formula for <BB_2532> (C[C@@H]1O[C@@H]1P(=O)([O-])[O-].[Ca+2]) is C3H5CaO4P. | |
Describe the ring structures in building block <BB_2532>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2532>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2532>. | **Token:** <BB_2532>
**SMILES:** C[C@@H]1O[C@@H]1P(=O)([O-])[O-].[Ca+2]
**Molecular Formula:** C3H5CaO4P
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_2533>. | O=Cc1cccc(F)c1Br | |
What is the building block token for the following molecule? | O=Cc1cccc(F)c1Br | <BB_2533> |
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