instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_2716>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2716>. | **Token:** <BB_2716>
**SMILES:** [N-]=[N+]=Nc1ccccc1OC(F)(F)F
**Molecular Formula:** C7H4F3N3O
**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_2717>. | CCNC1CCOc2c(C)cc(F)cc21 | |
What is the building block token for the following molecule? | CCNC1CCOc2c(C)cc(F)cc21 | <BB_2717> |
What is the molecular formula for <BB_2717>? | The molecular formula for <BB_2717> (CCNC1CCOc2c(C)cc(F)cc21) is C12H16FNO. | |
Describe the ring structures in building block <BB_2717>. | 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_2717>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2717>. | **Token:** <BB_2717>
**SMILES:** CCNC1CCOc2c(C)cc(F)cc21
**Molecular Formula:** C12H16FNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2718>. | CNCC1CCCCN1C(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | CNCC1CCCCN1C(=O)OC(C)(C)C | <BB_2718> |
What is the molecular formula for <BB_2718>? | The molecular formula for <BB_2718> (CNCC1CCCCN1C(=O)OC(C)(C)C) is C12H24N2O2. | |
Describe the ring structures in building block <BB_2718>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2718>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2718>. | **Token:** <BB_2718>
**SMILES:** CNCC1CCCCN1C(=O)OC(C)(C)C
**Molecular Formula:** C12H24N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2719>. | COC(=O)c1cc(Cl)nnc1N | |
What is the building block token for the following molecule? | COC(=O)c1cc(Cl)nnc1N | <BB_2719> |
What is the molecular formula for <BB_2719>? | The molecular formula for <BB_2719> (COC(=O)c1cc(Cl)nnc1N) is C6H6ClN3O2. | |
Describe the ring structures in building block <BB_2719>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2719>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2719>. | **Token:** <BB_2719>
**SMILES:** COC(=O)c1cc(Cl)nnc1N
**Molecular Formula:** C6H6ClN3O2
**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_2720>. | CC(C)c1ncc(Br)c(Cl)n1 | |
What is the building block token for the following molecule? | CC(C)c1ncc(Br)c(Cl)n1 | <BB_2720> |
What is the molecular formula for <BB_2720>? | The molecular formula for <BB_2720> (CC(C)c1ncc(Br)c(Cl)n1) is C7H8BrClN2. | |
Describe the ring structures in building block <BB_2720>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2720>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2720>. | **Token:** <BB_2720>
**SMILES:** CC(C)c1ncc(Br)c(Cl)n1
**Molecular Formula:** C7H8BrClN2
**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_2721>. | N[C@H](CC1CCC(F)(F)C1)C(=O)O | |
What is the building block token for the following molecule? | N[C@H](CC1CCC(F)(F)C1)C(=O)O | <BB_2721> |
What is the molecular formula for <BB_2721>? | The molecular formula for <BB_2721> (N[C@H](CC1CCC(F)(F)C1)C(=O)O) is C8H13F2NO2. | |
Describe the ring structures in building block <BB_2721>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2721>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2721>. | **Token:** <BB_2721>
**SMILES:** N[C@H](CC1CCC(F)(F)C1)C(=O)O
**Molecular Formula:** C8H13F2NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2722>. | O=Cc1ccc2c(c1)CCOC2 | |
What is the building block token for the following molecule? | O=Cc1ccc2c(c1)CCOC2 | <BB_2722> |
What is the molecular formula for <BB_2722>? | The molecular formula for <BB_2722> (O=Cc1ccc2c(c1)CCOC2) is C10H10O2. | |
Describe the ring structures in building block <BB_2722>. | 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_2722>. | The molecule contains the following groups: Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2722>. | **Token:** <BB_2722>
**SMILES:** O=Cc1ccc2c(c1)CCOC2
**Molecular Formula:** C10H10O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_2723>. | O=C(O)c1[nH]c(=O)[nH]c(=O)c1Cl | |
What is the building block token for the following molecule? | O=C(O)c1[nH]c(=O)[nH]c(=O)c1Cl | <BB_2723> |
What is the molecular formula for <BB_2723>? | The molecular formula for <BB_2723> (O=C(O)c1[nH]c(=O)[nH]c(=O)c1Cl) is C5H3ClN2O4. | |
Describe the ring structures in building block <BB_2723>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2723>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2723>. | **Token:** <BB_2723>
**SMILES:** O=C(O)c1[nH]c(=O)[nH]c(=O)c1Cl
**Molecular Formula:** C5H3ClN2O4
**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_2724>. | CC(C)(C)OC(=O)N1CCNC(=O)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCNC(=O)C1 | <BB_2724> |
What is the molecular formula for <BB_2724>? | The molecular formula for <BB_2724> (CC(C)(C)OC(=O)N1CCNC(=O)C1) is C9H16N2O3. | |
Describe the ring structures in building block <BB_2724>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2724>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2724>. | **Token:** <BB_2724>
**SMILES:** CC(C)(C)OC(=O)N1CCNC(=O)C1
**Molecular Formula:** C9H16N2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2725>. | O=c1[nH]nc(-c2ccc(Br)cc2)[nH]1 | |
What is the building block token for the following molecule? | O=c1[nH]nc(-c2ccc(Br)cc2)[nH]1 | <BB_2725> |
What is the molecular formula for <BB_2725>? | The molecular formula for <BB_2725> (O=c1[nH]nc(-c2ccc(Br)cc2)[nH]1) is C8H6BrN3O. | |
Describe the ring structures in building block <BB_2725>. | 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_2725>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2725>. | **Token:** <BB_2725>
**SMILES:** O=c1[nH]nc(-c2ccc(Br)cc2)[nH]1
**Molecular Formula:** C8H6BrN3O
**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_2726>. | Cl.c1cc2c3c(cccc3c1)CNC2 | |
What is the building block token for the following molecule? | Cl.c1cc2c3c(cccc3c1)CNC2 | <BB_2726> |
What is the molecular formula for <BB_2726>? | The molecular formula for <BB_2726> (Cl.c1cc2c3c(cccc3c1)CNC2) is C12H12ClN. | |
Describe the ring structures in building block <BB_2726>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2726>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2726>. | **Token:** <BB_2726>
**SMILES:** Cl.c1cc2c3c(cccc3c1)CNC2
**Molecular Formula:** C12H12ClN
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2727>. | O=C(O)c1ccc(-c2ccccc2)c(F)c1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc(-c2ccccc2)c(F)c1 | <BB_2727> |
What is the molecular formula for <BB_2727>? | The molecular formula for <BB_2727> (O=C(O)c1ccc(-c2ccccc2)c(F)c1) is C13H9FO2. | |
Describe the ring structures in building block <BB_2727>. | 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_2727>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2727>. | **Token:** <BB_2727>
**SMILES:** O=C(O)c1ccc(-c2ccccc2)c(F)c1
**Molecular Formula:** C13H9FO2
**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_2728>. | Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1O | |
What is the building block token for the following molecule? | Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1O | <BB_2728> |
What is the molecular formula for <BB_2728>? | The molecular formula for <BB_2728> (Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1O) is C13H19BO3. | |
Describe the ring structures in building block <BB_2728>. | 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_2728>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2728>. | **Token:** <BB_2728>
**SMILES:** Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1O
**Molecular Formula:** C13H19BO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2729>. | CC1(C)CNC1c1ccco1 | |
What is the building block token for the following molecule? | CC1(C)CNC1c1ccco1 | <BB_2729> |
What is the molecular formula for <BB_2729>? | The molecular formula for <BB_2729> (CC1(C)CNC1c1ccco1) is C9H13NO. | |
Describe the ring structures in building block <BB_2729>. | 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_2729>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2729>. | **Token:** <BB_2729>
**SMILES:** CC1(C)CNC1c1ccco1
**Molecular Formula:** C9H13NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 5.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_2730>. | COc1cc(N2CCC(N(C)C)CC2)ccc1N | |
What is the building block token for the following molecule? | COc1cc(N2CCC(N(C)C)CC2)ccc1N | <BB_2730> |
What is the molecular formula for <BB_2730>? | The molecular formula for <BB_2730> (COc1cc(N2CCC(N(C)C)CC2)ccc1N) is C14H23N3O. | |
Describe the ring structures in building block <BB_2730>. | 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_2730>. | The molecule contains the following groups: Amine, Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2730>. | **Token:** <BB_2730>
**SMILES:** COc1cc(N2CCC(N(C)C)CC2)ccc1N
**Molecular Formula:** C14H23N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2731>. | Cl.O=C(O)C1CC2(CCNCC2)C1 | |
What is the building block token for the following molecule? | Cl.O=C(O)C1CC2(CCNCC2)C1 | <BB_2731> |
What is the molecular formula for <BB_2731>? | The molecular formula for <BB_2731> (Cl.O=C(O)C1CC2(CCNCC2)C1) is C9H16ClNO2. | |
Describe the ring structures in building block <BB_2731>. | 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_2731>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2731>. | **Token:** <BB_2731>
**SMILES:** Cl.O=C(O)C1CC2(CCNCC2)C1
**Molecular Formula:** C9H16ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2732>. | CCCOc1ccccc1C(N)=S | |
What is the building block token for the following molecule? | CCCOc1ccccc1C(N)=S | <BB_2732> |
What is the molecular formula for <BB_2732>? | The molecular formula for <BB_2732> (CCCOc1ccccc1C(N)=S) is C10H13NOS. | |
Describe the ring structures in building block <BB_2732>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2732>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2732>. | **Token:** <BB_2732>
**SMILES:** CCCOc1ccccc1C(N)=S
**Molecular Formula:** C10H13NOS
**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_2733>. | COc1cncc(CCCO)c1 | |
What is the building block token for the following molecule? | COc1cncc(CCCO)c1 | <BB_2733> |
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