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