instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_3166>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3166>. | **Token:** <BB_3166>
**SMILES:** COC(=O)c1cnc(CCl)nc1Cl
**Molecular Formula:** C7H6Cl2N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3167>. | CCc1ncc(CN)o1 | |
What is the building block token for the following molecule? | CCc1ncc(CN)o1 | <BB_3167> |
What is the molecular formula for <BB_3167>? | The molecular formula for <BB_3167> (CCc1ncc(CN)o1) is C6H10N2O. | |
Describe the ring structures in building block <BB_3167>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3167>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_3167>. | **Token:** <BB_3167>
**SMILES:** CCc1ncc(CN)o1
**Molecular Formula:** C6H10N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_3168>. | COc1cccc(C#CCCl)c1 | |
What is the building block token for the following molecule? | COc1cccc(C#CCCl)c1 | <BB_3168> |
What is the molecular formula for <BB_3168>? | The molecular formula for <BB_3168> (COc1cccc(C#CCCl)c1) is C10H9ClO. | |
Describe the ring structures in building block <BB_3168>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3168>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3168>. | **Token:** <BB_3168>
**SMILES:** COc1cccc(C#CCCl)c1
**Molecular Formula:** C10H9ClO
**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_3169>. | Cl.Cl.NCc1nc(C2CC2)n[nH]1 | |
What is the building block token for the following molecule? | Cl.Cl.NCc1nc(C2CC2)n[nH]1 | <BB_3169> |
What is the molecular formula for <BB_3169>? | The molecular formula for <BB_3169> (Cl.Cl.NCc1nc(C2CC2)n[nH]1) is C6H12Cl2N4. | |
Describe the ring structures in building block <BB_3169>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_3169>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3169>. | **Token:** <BB_3169>
**SMILES:** Cl.Cl.NCc1nc(C2CC2)n[nH]1
**Molecular Formula:** C6H12Cl2N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3170>. | C[C@H](N)C(=O)NCC(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | C[C@H](N)C(=O)NCC(=O)OC(C)(C)C | <BB_3170> |
What is the molecular formula for <BB_3170>? | The molecular formula for <BB_3170> (C[C@H](N)C(=O)NCC(=O)OC(C)(C)C) is C9H18N2O3. | |
Describe the ring structures in building block <BB_3170>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_3170>. | The molecule contains the following groups: Amine, Amide, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3170>. | **Token:** <BB_3170>
**SMILES:** C[C@H](N)C(=O)NCC(=O)OC(C)(C)C
**Molecular Formula:** C9H18N2O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Amide, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_3171>. | CCCN1CCC(CN)CC1.Cl.Cl | |
What is the building block token for the following molecule? | CCCN1CCC(CN)CC1.Cl.Cl | <BB_3171> |
What is the molecular formula for <BB_3171>? | The molecular formula for <BB_3171> (CCCN1CCC(CN)CC1.Cl.Cl) is C9H22Cl2N2. | |
Describe the ring structures in building block <BB_3171>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_3171>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3171>. | **Token:** <BB_3171>
**SMILES:** CCCN1CCC(CN)CC1.Cl.Cl
**Molecular Formula:** C9H22Cl2N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3172>. | Cc1cc(S(=O)(=O)Cl)cc(C(=O)O)c1F | |
What is the building block token for the following molecule? | Cc1cc(S(=O)(=O)Cl)cc(C(=O)O)c1F | <BB_3172> |
What is the molecular formula for <BB_3172>? | The molecular formula for <BB_3172> (Cc1cc(S(=O)(=O)Cl)cc(C(=O)O)c1F) is C8H6ClFO4S. | |
Describe the ring structures in building block <BB_3172>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3172>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3172>. | **Token:** <BB_3172>
**SMILES:** Cc1cc(S(=O)(=O)Cl)cc(C(=O)O)c1F
**Molecular Formula:** C8H6ClFO4S
**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_3173>. | C/C=C/S(C)(=O)=O | |
What is the building block token for the following molecule? | C/C=C/S(C)(=O)=O | <BB_3173> |
What is the molecular formula for <BB_3173>? | The molecular formula for <BB_3173> (C/C=C/S(C)(=O)=O) is C4H8O2S. | |
Describe the ring structures in building block <BB_3173>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_3173>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_3173>. | **Token:** <BB_3173>
**SMILES:** C/C=C/S(C)(=O)=O
**Molecular Formula:** C4H8O2S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_3174>. | O=C(O)/C=C(\Br)C(=O)O | |
What is the building block token for the following molecule? | O=C(O)/C=C(\Br)C(=O)O | <BB_3174> |
What is the molecular formula for <BB_3174>? | The molecular formula for <BB_3174> (O=C(O)/C=C(\Br)C(=O)O) is C4H3BrO4. | |
Describe the ring structures in building block <BB_3174>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_3174>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3174>. | **Token:** <BB_3174>
**SMILES:** O=C(O)/C=C(\Br)C(=O)O
**Molecular Formula:** C4H3BrO4
**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_3175>. | COC(=O)c1cc(C(C)C)n[nH]1 | |
What is the building block token for the following molecule? | COC(=O)c1cc(C(C)C)n[nH]1 | <BB_3175> |
What is the molecular formula for <BB_3175>? | The molecular formula for <BB_3175> (COC(=O)c1cc(C(C)C)n[nH]1) is C8H12N2O2. | |
Describe the ring structures in building block <BB_3175>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3175>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3175>. | **Token:** <BB_3175>
**SMILES:** COC(=O)c1cc(C(C)C)n[nH]1
**Molecular Formula:** C8H12N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_3176>. | Nc1cccc(OCC(=O)N2CCCC2)c1 | |
What is the building block token for the following molecule? | Nc1cccc(OCC(=O)N2CCCC2)c1 | <BB_3176> |
What is the molecular formula for <BB_3176>? | The molecular formula for <BB_3176> (Nc1cccc(OCC(=O)N2CCCC2)c1) is C12H16N2O2. | |
Describe the ring structures in building block <BB_3176>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_3176>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3176>. | **Token:** <BB_3176>
**SMILES:** Nc1cccc(OCC(=O)N2CCCC2)c1
**Molecular Formula:** C12H16N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_3177>. | COc1ccc(C(N)C(F)(F)F)cc1 | |
What is the building block token for the following molecule? | COc1ccc(C(N)C(F)(F)F)cc1 | <BB_3177> |
What is the molecular formula for <BB_3177>? | The molecular formula for <BB_3177> (COc1ccc(C(N)C(F)(F)F)cc1) is C9H10F3NO. | |
Describe the ring structures in building block <BB_3177>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3177>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3177>. | **Token:** <BB_3177>
**SMILES:** COc1ccc(C(N)C(F)(F)F)cc1
**Molecular Formula:** C9H10F3NO
**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_3178>. | CC(C)COCC(O)CN | |
What is the building block token for the following molecule? | CC(C)COCC(O)CN | <BB_3178> |
What is the molecular formula for <BB_3178>? | The molecular formula for <BB_3178> (CC(C)COCC(O)CN) is C7H17NO2. | |
Describe the ring structures in building block <BB_3178>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_3178>. | The molecule contains the following groups: Amine, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3178>. | **Token:** <BB_3178>
**SMILES:** CC(C)COCC(O)CN
**Molecular Formula:** C7H17NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_3179>. | COC(=O)c1cc(Cl)c(N)c(Cl)n1 | |
What is the building block token for the following molecule? | COC(=O)c1cc(Cl)c(N)c(Cl)n1 | <BB_3179> |
What is the molecular formula for <BB_3179>? | The molecular formula for <BB_3179> (COC(=O)c1cc(Cl)c(N)c(Cl)n1) is C7H6Cl2N2O2. | |
Describe the ring structures in building block <BB_3179>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3179>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3179>. | **Token:** <BB_3179>
**SMILES:** COC(=O)c1cc(Cl)c(N)c(Cl)n1
**Molecular Formula:** C7H6Cl2N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3180>. | Cl.Cl.N[C@H]1C[C@]2(CCNC(=O)C2)C1 | |
What is the building block token for the following molecule? | Cl.Cl.N[C@H]1C[C@]2(CCNC(=O)C2)C1 | <BB_3180> |
What is the molecular formula for <BB_3180>? | The molecular formula for <BB_3180> (Cl.Cl.N[C@H]1C[C@]2(CCNC(=O)C2)C1) is C8H16Cl2N2O. | |
Describe the ring structures in building block <BB_3180>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_3180>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3180>. | **Token:** <BB_3180>
**SMILES:** Cl.Cl.N[C@H]1C[C@]2(CCNC(=O)C2)C1
**Molecular Formula:** C8H16Cl2N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3181>. | Cc1cc(CO)cnc1C | |
What is the building block token for the following molecule? | Cc1cc(CO)cnc1C | <BB_3181> |
What is the molecular formula for <BB_3181>? | The molecular formula for <BB_3181> (Cc1cc(CO)cnc1C) is C8H11NO. | |
Describe the ring structures in building block <BB_3181>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3181>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_3181>. | **Token:** <BB_3181>
**SMILES:** Cc1cc(CO)cnc1C
**Molecular Formula:** C8H11NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_3182>. | COc1cc(F)ccc1N | |
What is the building block token for the following molecule? | COc1cc(F)ccc1N | <BB_3182> |
What is the molecular formula for <BB_3182>? | The molecular formula for <BB_3182> (COc1cc(F)ccc1N) is C7H8FNO. | |
Describe the ring structures in building block <BB_3182>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3182>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3182>. | **Token:** <BB_3182>
**SMILES:** COc1cc(F)ccc1N
**Molecular Formula:** C7H8FNO
**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_3183>. | O=C(O)Cc1ccsc1 | |
What is the building block token for the following molecule? | O=C(O)Cc1ccsc1 | <BB_3183> |
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