instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_883>? | The molecular formula for <BB_883> (CC1(C)OB(c2cccc3oc(=O)[nH]c23)OC1(C)C) is C13H16BNO4. | |
Describe the ring structures in building block <BB_883>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_883>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_883>. | **Token:** <BB_883>
**SMILES:** CC1(C)OB(c2cccc3oc(=O)[nH]c23)OC1(C)C
**Molecular Formula:** C13H16BNO4
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_884>. | Cc1cc(C=O)c(C)n1-c1ccc(Br)cc1 | |
What is the building block token for the following molecule? | Cc1cc(C=O)c(C)n1-c1ccc(Br)cc1 | <BB_884> |
What is the molecular formula for <BB_884>? | The molecular formula for <BB_884> (Cc1cc(C=O)c(C)n1-c1ccc(Br)cc1) is C13H12BrNO. | |
Describe the ring structures in building block <BB_884>. | 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_884>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_884>. | **Token:** <BB_884>
**SMILES:** Cc1cc(C=O)c(C)n1-c1ccc(Br)cc1
**Molecular Formula:** C13H12BrNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_885>. | Cl.N=C(N)NC(=N)N1CCOCC1 | |
What is the building block token for the following molecule? | Cl.N=C(N)NC(=N)N1CCOCC1 | <BB_885> |
What is the molecular formula for <BB_885>? | The molecular formula for <BB_885> (Cl.N=C(N)NC(=N)N1CCOCC1) is C6H14ClN5O. | |
Describe the ring structures in building block <BB_885>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_885>. | The molecule contains the following groups: Amine, Secondary Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_885>. | **Token:** <BB_885>
**SMILES:** Cl.N=C(N)NC(=N)N1CCOCC1
**Molecular Formula:** C6H14ClN5O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_886>. | CC(C)C(NS(=O)(=O)c1ccccc1)C(=O)O | |
What is the building block token for the following molecule? | CC(C)C(NS(=O)(=O)c1ccccc1)C(=O)O | <BB_886> |
What is the molecular formula for <BB_886>? | The molecular formula for <BB_886> (CC(C)C(NS(=O)(=O)c1ccccc1)C(=O)O) is C11H15NO4S. | |
Describe the ring structures in building block <BB_886>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_886>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_886>. | **Token:** <BB_886>
**SMILES:** CC(C)C(NS(=O)(=O)c1ccccc1)C(=O)O
**Molecular Formula:** C11H15NO4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_887>. | Cc1cccc(CCN)c1Cl.Cl | |
What is the building block token for the following molecule? | Cc1cccc(CCN)c1Cl.Cl | <BB_887> |
What is the molecular formula for <BB_887>? | The molecular formula for <BB_887> (Cc1cccc(CCN)c1Cl.Cl) is C9H13Cl2N. | |
Describe the ring structures in building block <BB_887>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_887>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_887>. | **Token:** <BB_887>
**SMILES:** Cc1cccc(CCN)c1Cl.Cl
**Molecular Formula:** C9H13Cl2N
**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_888>. | C#Cc1ccc(F)c(C(=O)O)c1 | |
What is the building block token for the following molecule? | C#Cc1ccc(F)c(C(=O)O)c1 | <BB_888> |
What is the molecular formula for <BB_888>? | The molecular formula for <BB_888> (C#Cc1ccc(F)c(C(=O)O)c1) is C9H5FO2. | |
Describe the ring structures in building block <BB_888>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_888>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_888>. | **Token:** <BB_888>
**SMILES:** C#Cc1ccc(F)c(C(=O)O)c1
**Molecular Formula:** C9H5FO2
**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_889>. | [N-]=[N+]=NCC1CCCOC1 | |
What is the building block token for the following molecule? | [N-]=[N+]=NCC1CCCOC1 | <BB_889> |
What is the molecular formula for <BB_889>? | The molecular formula for <BB_889> ([N-]=[N+]=NCC1CCCOC1) is C6H11N3O. | |
Describe the ring structures in building block <BB_889>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_889>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_889>. | **Token:** <BB_889>
**SMILES:** [N-]=[N+]=NCC1CCCOC1
**Molecular Formula:** C6H11N3O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_890>. | C[C@H]1CC[C@H](OCCCN)CC1.Cl | |
What is the building block token for the following molecule? | C[C@H]1CC[C@H](OCCCN)CC1.Cl | <BB_890> |
What is the molecular formula for <BB_890>? | The molecular formula for <BB_890> (C[C@H]1CC[C@H](OCCCN)CC1.Cl) is C10H22ClNO. | |
Describe the ring structures in building block <BB_890>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_890>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_890>. | **Token:** <BB_890>
**SMILES:** C[C@H]1CC[C@H](OCCCN)CC1.Cl
**Molecular Formula:** C10H22ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_891>. | NCCNC(=S)NC1CCc2ccccc21 | |
What is the building block token for the following molecule? | NCCNC(=S)NC1CCc2ccccc21 | <BB_891> |
What is the molecular formula for <BB_891>? | The molecular formula for <BB_891> (NCCNC(=S)NC1CCc2ccccc21) is C12H17N3S. | |
Describe the ring structures in building block <BB_891>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_891>. | The molecule contains the following groups: Amine, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_891>. | **Token:** <BB_891>
**SMILES:** NCCNC(=S)NC1CCc2ccccc21
**Molecular Formula:** C12H17N3S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_892>. | CCCc1cc(N)n[nH]1.Cl | |
What is the building block token for the following molecule? | CCCc1cc(N)n[nH]1.Cl | <BB_892> |
What is the molecular formula for <BB_892>? | The molecular formula for <BB_892> (CCCc1cc(N)n[nH]1.Cl) is C6H12ClN3. | |
Describe the ring structures in building block <BB_892>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_892>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_892>. | **Token:** <BB_892>
**SMILES:** CCCc1cc(N)n[nH]1.Cl
**Molecular Formula:** C6H12ClN3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_893>. | CC1(C)CNC(c2ccccc2)C1.Cl | |
What is the building block token for the following molecule? | CC1(C)CNC(c2ccccc2)C1.Cl | <BB_893> |
What is the molecular formula for <BB_893>? | The molecular formula for <BB_893> (CC1(C)CNC(c2ccccc2)C1.Cl) is C12H18ClN. | |
Describe the ring structures in building block <BB_893>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_893>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_893>. | **Token:** <BB_893>
**SMILES:** CC1(C)CNC(c2ccccc2)C1.Cl
**Molecular Formula:** C12H18ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, 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_894>. | C[C@@H](CCO)N(C)C.Cl | |
What is the building block token for the following molecule? | C[C@@H](CCO)N(C)C.Cl | <BB_894> |
What is the molecular formula for <BB_894>? | The molecular formula for <BB_894> (C[C@@H](CCO)N(C)C.Cl) is C6H16ClNO. | |
Describe the ring structures in building block <BB_894>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_894>. | The molecule contains the following groups: Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_894>. | **Token:** <BB_894>
**SMILES:** C[C@@H](CCO)N(C)C.Cl
**Molecular Formula:** C6H16ClNO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_895>. | O=C(O)c1ccc(=O)n(-c2cccc(Cl)c2)c1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc(=O)n(-c2cccc(Cl)c2)c1 | <BB_895> |
What is the molecular formula for <BB_895>? | The molecular formula for <BB_895> (O=C(O)c1ccc(=O)n(-c2cccc(Cl)c2)c1) is C12H8ClNO3. | |
Describe the ring structures in building block <BB_895>. | 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_895>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_895>. | **Token:** <BB_895>
**SMILES:** O=C(O)c1ccc(=O)n(-c2cccc(Cl)c2)c1
**Molecular Formula:** C12H8ClNO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, 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_896>. | OC1CCN(C2COC2)CC1 | |
What is the building block token for the following molecule? | OC1CCN(C2COC2)CC1 | <BB_896> |
What is the molecular formula for <BB_896>? | The molecular formula for <BB_896> (OC1CCN(C2COC2)CC1) is C8H15NO2. | |
Describe the ring structures in building block <BB_896>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_896>. | The molecule contains the following groups: Tertiary Amine, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_896>. | **Token:** <BB_896>
**SMILES:** OC1CCN(C2COC2)CC1
**Molecular Formula:** C8H15NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Tertiary Amine, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_897>. | CC1(C)CCC(N)(C(=O)O)c2ccccc21.Cl | |
What is the building block token for the following molecule? | CC1(C)CCC(N)(C(=O)O)c2ccccc21.Cl | <BB_897> |
What is the molecular formula for <BB_897>? | The molecular formula for <BB_897> (CC1(C)CCC(N)(C(=O)O)c2ccccc21.Cl) is C13H18ClNO2. | |
Describe the ring structures in building block <BB_897>. | 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_897>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_897>. | **Token:** <BB_897>
**SMILES:** CC1(C)CCC(N)(C(=O)O)c2ccccc21.Cl
**Molecular Formula:** C13H18ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_898>. | C#CC#CC(C)(C)NC(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | C#CC#CC(C)(C)NC(=O)OC(C)(C)C | <BB_898> |
What is the molecular formula for <BB_898>? | The molecular formula for <BB_898> (C#CC#CC(C)(C)NC(=O)OC(C)(C)C) is C12H17NO2. | |
Describe the ring structures in building block <BB_898>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_898>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_898>. | **Token:** <BB_898>
**SMILES:** C#CC#CC(C)(C)NC(=O)OC(C)(C)C
**Molecular Formula:** C12H17NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_899>. | CC1CC(N)CN1C1CC1 | |
What is the building block token for the following molecule? | CC1CC(N)CN1C1CC1 | <BB_899> |
What is the molecular formula for <BB_899>? | The molecular formula for <BB_899> (CC1CC(N)CN1C1CC1) is C8H16N2. | |
Describe the ring structures in building block <BB_899>. | 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_899>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_899>. | **Token:** <BB_899>
**SMILES:** CC1CC(N)CN1C1CC1
**Molecular Formula:** C8H16N2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Amine, Tertiary Amine |
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