instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_650>. | OCC1CN(CCC(F)(F)F)C1 | |
What is the building block token for the following molecule? | OCC1CN(CCC(F)(F)F)C1 | <BB_650> |
What is the molecular formula for <BB_650>? | The molecular formula for <BB_650> (OCC1CN(CCC(F)(F)F)C1) is C7H12F3NO. | |
Describe the ring structures in building block <BB_650>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_650>. | The molecule contains the following groups: Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_650>. | **Token:** <BB_650>
**SMILES:** OCC1CN(CCC(F)(F)F)C1
**Molecular Formula:** C7H12F3NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_651>. | Cc1nc(C(=O)O)nn1-c1cccc(C(F)(F)F)c1 | |
What is the building block token for the following molecule? | Cc1nc(C(=O)O)nn1-c1cccc(C(F)(F)F)c1 | <BB_651> |
What is the molecular formula for <BB_651>? | The molecular formula for <BB_651> (Cc1nc(C(=O)O)nn1-c1cccc(C(F)(F)F)c1) is C11H8F3N3O2. | |
Describe the ring structures in building block <BB_651>. | 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_651>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_651>. | **Token:** <BB_651>
**SMILES:** Cc1nc(C(=O)O)nn1-c1cccc(C(F)(F)F)c1
**Molecular Formula:** C11H8F3N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_652>. | ClCC1CC(CCc2ccccc2)=NO1 | |
What is the building block token for the following molecule? | ClCC1CC(CCc2ccccc2)=NO1 | <BB_652> |
What is the molecular formula for <BB_652>? | The molecular formula for <BB_652> (ClCC1CC(CCc2ccccc2)=NO1) is C12H14ClNO. | |
Describe the ring structures in building block <BB_652>. | 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_652>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_652>. | **Token:** <BB_652>
**SMILES:** ClCC1CC(CCc2ccccc2)=NO1
**Molecular Formula:** C12H14ClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic 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_653>. | NCC1CC2(CCOC2)CO1 | |
What is the building block token for the following molecule? | NCC1CC2(CCOC2)CO1 | <BB_653> |
What is the molecular formula for <BB_653>? | The molecular formula for <BB_653> (NCC1CC2(CCOC2)CO1) is C8H15NO2. | |
Describe the ring structures in building block <BB_653>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_653>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_653>. | **Token:** <BB_653>
**SMILES:** NCC1CC2(CCOC2)CO1
**Molecular Formula:** C8H15NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_654>. | O=c1[nH]ncc2c1cnn2-c1ccccc1 | |
What is the building block token for the following molecule? | O=c1[nH]ncc2c1cnn2-c1ccccc1 | <BB_654> |
What is the molecular formula for <BB_654>? | The molecular formula for <BB_654> (O=c1[nH]ncc2c1cnn2-c1ccccc1) is C11H8N4O. | |
Describe the ring structures in building block <BB_654>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_654>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_654>. | **Token:** <BB_654>
**SMILES:** O=c1[nH]ncc2c1cnn2-c1ccccc1
**Molecular Formula:** C11H8N4O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, 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_655>. | Cc1cc2c(F)cc(Br)cc2[nH]1 | |
What is the building block token for the following molecule? | Cc1cc2c(F)cc(Br)cc2[nH]1 | <BB_655> |
What is the molecular formula for <BB_655>? | The molecular formula for <BB_655> (Cc1cc2c(F)cc(Br)cc2[nH]1) is C9H7BrFN. | |
Describe the ring structures in building block <BB_655>. | 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_655>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_655>. | **Token:** <BB_655>
**SMILES:** Cc1cc2c(F)cc(Br)cc2[nH]1
**Molecular Formula:** C9H7BrFN
**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_656>. | COC(=O)[C@H](CC(=O)CBr)NC(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | COC(=O)[C@H](CC(=O)CBr)NC(=O)OC(C)(C)C | <BB_656> |
What is the molecular formula for <BB_656>? | The molecular formula for <BB_656> (COC(=O)[C@H](CC(=O)CBr)NC(=O)OC(C)(C)C) is C11H18BrNO5. | |
Describe the ring structures in building block <BB_656>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_656>. | The molecule contains the following groups: Amide, Ester, Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_656>. | **Token:** <BB_656>
**SMILES:** COC(=O)[C@H](CC(=O)CBr)NC(=O)OC(C)(C)C
**Molecular Formula:** C11H18BrNO5
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Ester, Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_657>. | CC(N)c1ccoc1.Cl | |
What is the building block token for the following molecule? | CC(N)c1ccoc1.Cl | <BB_657> |
What is the molecular formula for <BB_657>? | The molecular formula for <BB_657> (CC(N)c1ccoc1.Cl) is C6H10ClNO. | |
Describe the ring structures in building block <BB_657>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_657>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_657>. | **Token:** <BB_657>
**SMILES:** CC(N)c1ccoc1.Cl
**Molecular Formula:** C6H10ClNO
**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_658>. | COc1cc2ncccc2c2cccnc12 | |
What is the building block token for the following molecule? | COc1cc2ncccc2c2cccnc12 | <BB_658> |
What is the molecular formula for <BB_658>? | The molecular formula for <BB_658> (COc1cc2ncccc2c2cccnc12) is C13H10N2O. | |
Describe the ring structures in building block <BB_658>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_658>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_658>. | **Token:** <BB_658>
**SMILES:** COc1cc2ncccc2c2cccnc12
**Molecular Formula:** C13H10N2O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_659>. | CN1CCN(C(=O)c2ccccc2C(=O)O)CC1 | |
What is the building block token for the following molecule? | CN1CCN(C(=O)c2ccccc2C(=O)O)CC1 | <BB_659> |
What is the molecular formula for <BB_659>? | The molecular formula for <BB_659> (CN1CCN(C(=O)c2ccccc2C(=O)O)CC1) is C13H16N2O3. | |
Describe the ring structures in building block <BB_659>. | 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_659>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_659>. | **Token:** <BB_659>
**SMILES:** CN1CCN(C(=O)c2ccccc2C(=O)O)CC1
**Molecular Formula:** C13H16N2O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Amide | |
Provide the SMILES representation for the building block token <BB_660>. | CC(C)c1nc(CC(=O)O)cs1 | |
What is the building block token for the following molecule? | CC(C)c1nc(CC(=O)O)cs1 | <BB_660> |
What is the molecular formula for <BB_660>? | The molecular formula for <BB_660> (CC(C)c1nc(CC(=O)O)cs1) is C8H11NO2S. | |
Describe the ring structures in building block <BB_660>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_660>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_660>. | **Token:** <BB_660>
**SMILES:** CC(C)c1nc(CC(=O)O)cs1
**Molecular Formula:** C8H11NO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_661>. | Cc1ncc(Br)c(N)n1 | |
What is the building block token for the following molecule? | Cc1ncc(Br)c(N)n1 | <BB_661> |
What is the molecular formula for <BB_661>? | The molecular formula for <BB_661> (Cc1ncc(Br)c(N)n1) is C5H6BrN3. | |
Describe the ring structures in building block <BB_661>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_661>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_661>. | **Token:** <BB_661>
**SMILES:** Cc1ncc(Br)c(N)n1
**Molecular Formula:** C5H6BrN3
**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_662>. | C=CC(C)(C)B1OC(C)(C)C(C)(C)O1 | |
What is the building block token for the following molecule? | C=CC(C)(C)B1OC(C)(C)C(C)(C)O1 | <BB_662> |
What is the molecular formula for <BB_662>? | The molecular formula for <BB_662> (C=CC(C)(C)B1OC(C)(C)C(C)(C)O1) is C11H21BO2. | |
Describe the ring structures in building block <BB_662>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_662>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_662>. | **Token:** <BB_662>
**SMILES:** C=CC(C)(C)B1OC(C)(C)C(C)(C)O1
**Molecular Formula:** C11H21BO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_663>. | c1ncn2c1CCCC2 | |
What is the building block token for the following molecule? | c1ncn2c1CCCC2 | <BB_663> |
What is the molecular formula for <BB_663>? | The molecular formula for <BB_663> (c1ncn2c1CCCC2) is C7H10N2. | |
Describe the ring structures in building block <BB_663>. | 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_663>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_663>. | **Token:** <BB_663>
**SMILES:** c1ncn2c1CCCC2
**Molecular Formula:** C7H10N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_664>. | CC1CN(C(=O)OC(C)(C)C)CC12CCCCC2=O | |
What is the building block token for the following molecule? | CC1CN(C(=O)OC(C)(C)C)CC12CCCCC2=O | <BB_664> |
What is the molecular formula for <BB_664>? | The molecular formula for <BB_664> (CC1CN(C(=O)OC(C)(C)C)CC12CCCCC2=O) is C15H25NO3. | |
Describe the ring structures in building block <BB_664>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_664>. | The molecule contains the following groups: Amide, Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_664>. | **Token:** <BB_664>
**SMILES:** CC1CN(C(=O)OC(C)(C)C)CC12CCCCC2=O
**Molecular Formula:** C15H25NO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Amide, Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_665>. | CC(C)C(CN)CO | |
What is the building block token for the following molecule? | CC(C)C(CN)CO | <BB_665> |
What is the molecular formula for <BB_665>? | The molecular formula for <BB_665> (CC(C)C(CN)CO) is C6H15NO. | |
Describe the ring structures in building block <BB_665>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_665>. | The molecule contains the following groups: Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_665>. | **Token:** <BB_665>
**SMILES:** CC(C)C(CN)CO
**Molecular Formula:** C6H15NO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_666>. | Cc1cccc(N2CCC(N)CC2)n1 | |
What is the building block token for the following molecule? | Cc1cccc(N2CCC(N)CC2)n1 | <BB_666> |
What is the molecular formula for <BB_666>? | The molecular formula for <BB_666> (Cc1cccc(N2CCC(N)CC2)n1) is C11H17N3. | |
Describe the ring structures in building block <BB_666>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6. |
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