instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_150>. | O=C(O)c1cnc(-c2nnc[nH]2)s1 | |
What is the building block token for the following molecule? | O=C(O)c1cnc(-c2nnc[nH]2)s1 | <BB_150> |
What is the molecular formula for <BB_150>? | The molecular formula for <BB_150> (O=C(O)c1cnc(-c2nnc[nH]2)s1) is C6H4N4O2S. | |
Describe the ring structures in building block <BB_150>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_150>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_150>. | **Token:** <BB_150>
**SMILES:** O=C(O)c1cnc(-c2nnc[nH]2)s1
**Molecular Formula:** C6H4N4O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_151>. | Nc1nc2[nH]c(-c3ccc(Br)cc3)nc2c(=O)[nH]1 | |
What is the building block token for the following molecule? | Nc1nc2[nH]c(-c3ccc(Br)cc3)nc2c(=O)[nH]1 | <BB_151> |
What is the molecular formula for <BB_151>? | The molecular formula for <BB_151> (Nc1nc2[nH]c(-c3ccc(Br)cc3)nc2c(=O)[nH]1) is C11H8BrN5O. | |
Describe the ring structures in building block <BB_151>. | 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_151>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_151>. | **Token:** <BB_151>
**SMILES:** Nc1nc2[nH]c(-c3ccc(Br)cc3)nc2c(=O)[nH]1
**Molecular Formula:** C11H8BrN5O
**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:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_152>. | O=Cc1nccn1C1CC1 | |
What is the building block token for the following molecule? | O=Cc1nccn1C1CC1 | <BB_152> |
What is the molecular formula for <BB_152>? | The molecular formula for <BB_152> (O=Cc1nccn1C1CC1) is C7H8N2O. | |
Describe the ring structures in building block <BB_152>. | 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_152>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_152>. | **Token:** <BB_152>
**SMILES:** O=Cc1nccn1C1CC1
**Molecular Formula:** C7H8N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_153>. | Cl.NC(=O)C[C@H](N)c1ccccc1Cl | |
What is the building block token for the following molecule? | Cl.NC(=O)C[C@H](N)c1ccccc1Cl | <BB_153> |
What is the molecular formula for <BB_153>? | The molecular formula for <BB_153> (Cl.NC(=O)C[C@H](N)c1ccccc1Cl) is C9H12Cl2N2O. | |
Describe the ring structures in building block <BB_153>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_153>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_153>. | **Token:** <BB_153>
**SMILES:** Cl.NC(=O)C[C@H](N)c1ccccc1Cl
**Molecular Formula:** C9H12Cl2N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_154>. | NS(=O)(=O)c1cc(C(F)(F)F)cnn1 | |
What is the building block token for the following molecule? | NS(=O)(=O)c1cc(C(F)(F)F)cnn1 | <BB_154> |
What is the molecular formula for <BB_154>? | The molecular formula for <BB_154> (NS(=O)(=O)c1cc(C(F)(F)F)cnn1) is C5H4F3N3O2S. | |
Describe the ring structures in building block <BB_154>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_154>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_154>. | **Token:** <BB_154>
**SMILES:** NS(=O)(=O)c1cc(C(F)(F)F)cnn1
**Molecular Formula:** C5H4F3N3O2S
**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_155>. | NCc1cccc(COc2ccccc2)c1 | |
What is the building block token for the following molecule? | NCc1cccc(COc2ccccc2)c1 | <BB_155> |
What is the molecular formula for <BB_155>? | The molecular formula for <BB_155> (NCc1cccc(COc2ccccc2)c1) is C14H15NO. | |
Describe the ring structures in building block <BB_155>. | 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_155>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_155>. | **Token:** <BB_155>
**SMILES:** NCc1cccc(COc2ccccc2)c1
**Molecular Formula:** C14H15NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_156>. | C#CCC(=O)O | |
What is the building block token for the following molecule? | C#CCC(=O)O | <BB_156> |
What is the molecular formula for <BB_156>? | The molecular formula for <BB_156> (C#CCC(=O)O) is C4H4O2. | |
Describe the ring structures in building block <BB_156>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_156>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_156>. | **Token:** <BB_156>
**SMILES:** C#CCC(=O)O
**Molecular Formula:** C4H4O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_157>. | C#CCOc1c(Br)cc(Cl)cc1C=O | |
What is the building block token for the following molecule? | C#CCOc1c(Br)cc(Cl)cc1C=O | <BB_157> |
What is the molecular formula for <BB_157>? | The molecular formula for <BB_157> (C#CCOc1c(Br)cc(Cl)cc1C=O) is C10H6BrClO2. | |
Describe the ring structures in building block <BB_157>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_157>. | The molecule contains the following groups: Aldehyde, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_157>. | **Token:** <BB_157>
**SMILES:** C#CCOc1c(Br)cc(Cl)cc1C=O
**Molecular Formula:** C10H6BrClO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_158>. | O=C(O)c1cc(Cl)nc(Cl)c1F | |
What is the building block token for the following molecule? | O=C(O)c1cc(Cl)nc(Cl)c1F | <BB_158> |
What is the molecular formula for <BB_158>? | The molecular formula for <BB_158> (O=C(O)c1cc(Cl)nc(Cl)c1F) is C6H2Cl2FNO2. | |
Describe the ring structures in building block <BB_158>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_158>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_158>. | **Token:** <BB_158>
**SMILES:** O=C(O)c1cc(Cl)nc(Cl)c1F
**Molecular Formula:** C6H2Cl2FNO2
**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_159>. | CC(C)CCOCCC#N | |
What is the building block token for the following molecule? | CC(C)CCOCCC#N | <BB_159> |
What is the molecular formula for <BB_159>? | The molecular formula for <BB_159> (CC(C)CCOCCC#N) is C8H15NO. | |
Describe the ring structures in building block <BB_159>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_159>. | The molecule contains the following groups: Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_159>. | **Token:** <BB_159>
**SMILES:** CC(C)CCOCCC#N
**Molecular Formula:** C8H15NO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_160>. | [N-]=[N+]=Nc1cc(Br)ccc1O | |
What is the building block token for the following molecule? | [N-]=[N+]=Nc1cc(Br)ccc1O | <BB_160> |
What is the molecular formula for <BB_160>? | The molecular formula for <BB_160> ([N-]=[N+]=Nc1cc(Br)ccc1O) is C6H4BrN3O. | |
Describe the ring structures in building block <BB_160>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_160>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_160>. | **Token:** <BB_160>
**SMILES:** [N-]=[N+]=Nc1cc(Br)ccc1O
**Molecular Formula:** C6H4BrN3O
**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_161>. | CC(C)C(Br)C(=O)N1CCC(C(N)=O)CC1 | |
What is the building block token for the following molecule? | CC(C)C(Br)C(=O)N1CCC(C(N)=O)CC1 | <BB_161> |
What is the molecular formula for <BB_161>? | The molecular formula for <BB_161> (CC(C)C(Br)C(=O)N1CCC(C(N)=O)CC1) is C11H19BrN2O2. | |
Describe the ring structures in building block <BB_161>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_161>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_161>. | **Token:** <BB_161>
**SMILES:** CC(C)C(Br)C(=O)N1CCC(C(N)=O)CC1
**Molecular Formula:** C11H19BrN2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_162>. | Cl.N[C@H](CO)C(F)F | |
What is the building block token for the following molecule? | Cl.N[C@H](CO)C(F)F | <BB_162> |
What is the molecular formula for <BB_162>? | The molecular formula for <BB_162> (Cl.N[C@H](CO)C(F)F) is C3H8ClF2NO. | |
Describe the ring structures in building block <BB_162>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_162>. | The molecule contains the following groups: Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_162>. | **Token:** <BB_162>
**SMILES:** Cl.N[C@H](CO)C(F)F
**Molecular Formula:** C3H8ClF2NO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_163>. | Cl.Nc1ccc(F)c(-c2ccccc2)c1 | |
What is the building block token for the following molecule? | Cl.Nc1ccc(F)c(-c2ccccc2)c1 | <BB_163> |
What is the molecular formula for <BB_163>? | The molecular formula for <BB_163> (Cl.Nc1ccc(F)c(-c2ccccc2)c1) is C12H11ClFN. | |
Describe the ring structures in building block <BB_163>. | 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_163>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_163>. | **Token:** <BB_163>
**SMILES:** Cl.Nc1ccc(F)c(-c2ccccc2)c1
**Molecular Formula:** C12H11ClFN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_164>. | CC(Oc1nc(N)ncc1Br)C1CC1 | |
What is the building block token for the following molecule? | CC(Oc1nc(N)ncc1Br)C1CC1 | <BB_164> |
What is the molecular formula for <BB_164>? | The molecular formula for <BB_164> (CC(Oc1nc(N)ncc1Br)C1CC1) is C9H12BrN3O. | |
Describe the ring structures in building block <BB_164>. | 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_164>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_164>. | **Token:** <BB_164>
**SMILES:** CC(Oc1nc(N)ncc1Br)C1CC1
**Molecular Formula:** C9H12BrN3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_165>. | OB(O)c1cccc(-n2cccn2)c1 | |
What is the building block token for the following molecule? | OB(O)c1cccc(-n2cccn2)c1 | <BB_165> |
What is the molecular formula for <BB_165>? | The molecular formula for <BB_165> (OB(O)c1cccc(-n2cccn2)c1) is C9H9BN2O2. | |
Describe the ring structures in building block <BB_165>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_165>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_165>. | **Token:** <BB_165>
**SMILES:** OB(O)c1cccc(-n2cccn2)c1
**Molecular Formula:** C9H9BN2O2
**Ring System:** The molecule contains 2 ring(s): 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_166>. | Cl.Cl.NCCNc1ncnc2ccc([N+](=O)[O-])cc12 | |
What is the building block token for the following molecule? | Cl.Cl.NCCNc1ncnc2ccc([N+](=O)[O-])cc12 | <BB_166> |
What is the molecular formula for <BB_166>? | The molecular formula for <BB_166> (Cl.Cl.NCCNc1ncnc2ccc([N+](=O)[O-])cc12) is C10H13Cl2N5O2. | |
Describe the ring structures in building block <BB_166>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6. |
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