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What is the molecular formula for <BB_83>?
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The molecular formula for <BB_83> (O=C([O-])c1nc(C2CC2)cs1.[Na+]) is C7H6NNaO2S.
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Describe the ring structures in building block <BB_83>.
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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_83>.
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The molecule contains the following groups: None specific.
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Provide a comprehensive chemical profile for the building block <BB_83>.
|
**Token:** <BB_83>
**SMILES:** O=C([O-])c1nc(C2CC2)cs1.[Na+]
**Molecular Formula:** C7H6NNaO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** None specific
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Provide the SMILES representation for the building block token <BB_84>.
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Cl.NC1CCCC(C2CC2)C1
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|
What is the building block token for the following molecule?
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Cl.NC1CCCC(C2CC2)C1
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<BB_84>
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What is the molecular formula for <BB_84>?
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The molecular formula for <BB_84> (Cl.NC1CCCC(C2CC2)C1) is C9H18ClN.
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Describe the ring structures in building block <BB_84>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
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|
List the primary functional groups present in <BB_84>.
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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_84>.
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**Token:** <BB_84>
**SMILES:** Cl.NC1CCCC(C2CC2)C1
**Molecular Formula:** C9H18ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_85>.
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CC(=O)c1ccc(Cl)c(F)c1
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What is the building block token for the following molecule?
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CC(=O)c1ccc(Cl)c(F)c1
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<BB_85>
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What is the molecular formula for <BB_85>?
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The molecular formula for <BB_85> (CC(=O)c1ccc(Cl)c(F)c1) is C8H6ClFO.
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Describe the ring structures in building block <BB_85>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_85>.
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The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_85>.
|
**Token:** <BB_85>
**SMILES:** CC(=O)c1ccc(Cl)c(F)c1
**Molecular Formula:** C8H6ClFO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_86>.
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CC1C(C(=O)O)CCN1c1cnn(C)c1.Cl.Cl
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What is the building block token for the following molecule?
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CC1C(C(=O)O)CCN1c1cnn(C)c1.Cl.Cl
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<BB_86>
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What is the molecular formula for <BB_86>?
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The molecular formula for <BB_86> (CC1C(C(=O)O)CCN1c1cnn(C)c1.Cl.Cl) is C10H17Cl2N3O2.
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Describe the ring structures in building block <BB_86>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5.
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|
List the primary functional groups present in <BB_86>.
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The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_86>.
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**Token:** <BB_86>
**SMILES:** CC1C(C(=O)O)CCN1c1cnn(C)c1.Cl.Cl
**Molecular Formula:** C10H17Cl2N3O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_87>.
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COc1cccc(O)c1OCCN.Cl
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What is the building block token for the following molecule?
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COc1cccc(O)c1OCCN.Cl
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<BB_87>
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What is the molecular formula for <BB_87>?
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The molecular formula for <BB_87> (COc1cccc(O)c1OCCN.Cl) is C9H14ClNO3.
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Describe the ring structures in building block <BB_87>.
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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_87>.
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The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_87>.
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**Token:** <BB_87>
**SMILES:** COc1cccc(O)c1OCCN.Cl
**Molecular Formula:** C9H14ClNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_88>.
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CCOCCCS
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What is the building block token for the following molecule?
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CCOCCCS
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<BB_88>
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What is the molecular formula for <BB_88>?
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The molecular formula for <BB_88> (CCOCCCS) is C5H12OS.
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Describe the ring structures in building block <BB_88>.
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The molecule is acyclic (contains no rings).
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List the primary functional groups present in <BB_88>.
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The molecule contains the following groups: Ether, Thiol.
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Provide a comprehensive chemical profile for the building block <BB_88>.
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**Token:** <BB_88>
**SMILES:** CCOCCCS
**Molecular Formula:** C5H12OS
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ether, Thiol
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Provide the SMILES representation for the building block token <BB_89>.
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OCc1nnc2ccccc2n1
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What is the building block token for the following molecule?
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OCc1nnc2ccccc2n1
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<BB_89>
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What is the molecular formula for <BB_89>?
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The molecular formula for <BB_89> (OCc1nnc2ccccc2n1) is C8H7N3O.
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Describe the ring structures in building block <BB_89>.
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The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
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List the primary functional groups present in <BB_89>.
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The molecule contains the following groups: Alcohol.
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Provide a comprehensive chemical profile for the building block <BB_89>.
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**Token:** <BB_89>
**SMILES:** OCc1nnc2ccccc2n1
**Molecular Formula:** C8H7N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Alcohol
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Provide the SMILES representation for the building block token <BB_90>.
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Cc1ccc(CN)c(N2CCCC2)n1
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What is the building block token for the following molecule?
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Cc1ccc(CN)c(N2CCCC2)n1
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<BB_90>
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What is the molecular formula for <BB_90>?
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The molecular formula for <BB_90> (Cc1ccc(CN)c(N2CCCC2)n1) is C11H17N3.
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Describe the ring structures in building block <BB_90>.
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The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
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List the primary functional groups present in <BB_90>.
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The molecule contains the following groups: Amine, Tertiary Amine.
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Provide a comprehensive chemical profile for the building block <BB_90>.
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**Token:** <BB_90>
**SMILES:** Cc1ccc(CN)c(N2CCCC2)n1
**Molecular Formula:** C11H17N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Tertiary Amine
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Provide the SMILES representation for the building block token <BB_91>.
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C#CCC1CCCCN1C
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What is the building block token for the following molecule?
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C#CCC1CCCCN1C
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<BB_91>
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What is the molecular formula for <BB_91>?
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The molecular formula for <BB_91> (C#CCC1CCCCN1C) is C9H15N.
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Describe the ring structures in building block <BB_91>.
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The molecule contains 1 ring(s): an aliphatic ring of size 6.
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List the primary functional groups present in <BB_91>.
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The molecule contains the following groups: Tertiary Amine.
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Provide a comprehensive chemical profile for the building block <BB_91>.
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**Token:** <BB_91>
**SMILES:** C#CCC1CCCCN1C
**Molecular Formula:** C9H15N
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine
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Provide the SMILES representation for the building block token <BB_92>.
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O=C(O)c1cccnc1SCc1ccco1
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What is the building block token for the following molecule?
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O=C(O)c1cccnc1SCc1ccco1
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<BB_92>
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What is the molecular formula for <BB_92>?
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The molecular formula for <BB_92> (O=C(O)c1cccnc1SCc1ccco1) is C11H9NO3S.
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Describe the ring structures in building block <BB_92>.
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The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
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List the primary functional groups present in <BB_92>.
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The molecule contains the following groups: Carboxylic Acid, Sulfide.
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Provide a comprehensive chemical profile for the building block <BB_92>.
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**Token:** <BB_92>
**SMILES:** O=C(O)c1cccnc1SCc1ccco1
**Molecular Formula:** C11H9NO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Sulfide
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Provide the SMILES representation for the building block token <BB_93>.
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CC(C)c1nccnc1Cl
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What is the building block token for the following molecule?
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CC(C)c1nccnc1Cl
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<BB_93>
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What is the molecular formula for <BB_93>?
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The molecular formula for <BB_93> (CC(C)c1nccnc1Cl) is C7H9ClN2.
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Describe the ring structures in building block <BB_93>.
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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_93>.
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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_93>.
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**Token:** <BB_93>
**SMILES:** CC(C)c1nccnc1Cl
**Molecular Formula:** C7H9ClN2
**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_94>.
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N#Cc1cc(Br)cc(I)c1
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What is the building block token for the following molecule?
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N#Cc1cc(Br)cc(I)c1
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<BB_94>
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What is the molecular formula for <BB_94>?
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The molecular formula for <BB_94> (N#Cc1cc(Br)cc(I)c1) is C7H3BrIN.
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Describe the ring structures in building block <BB_94>.
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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_94>.
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The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile.
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Provide a comprehensive chemical profile for the building block <BB_94>.
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**Token:** <BB_94>
**SMILES:** N#Cc1cc(Br)cc(I)c1
**Molecular Formula:** C7H3BrIN
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile
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Provide the SMILES representation for the building block token <BB_95>.
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O=C(O)c1ccc2nn(C(F)F)cc2c1
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What is the building block token for the following molecule?
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O=C(O)c1ccc2nn(C(F)F)cc2c1
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<BB_95>
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What is the molecular formula for <BB_95>?
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The molecular formula for <BB_95> (O=C(O)c1ccc2nn(C(F)F)cc2c1) is C9H6F2N2O2.
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Describe the ring structures in building block <BB_95>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
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|
List the primary functional groups present in <BB_95>.
|
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_95>.
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**Token:** <BB_95>
**SMILES:** O=C(O)c1ccc2nn(C(F)F)cc2c1
**Molecular Formula:** C9H6F2N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_96>.
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N#Cc1cccc(OCc2nc(C(=O)O)cs2)c1
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What is the building block token for the following molecule?
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N#Cc1cccc(OCc2nc(C(=O)O)cs2)c1
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<BB_96>
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What is the molecular formula for <BB_96>?
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The molecular formula for <BB_96> (N#Cc1cccc(OCc2nc(C(=O)O)cs2)c1) is C12H8N2O3S.
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|
Describe the ring structures in building block <BB_96>.
|
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_96>.
|
The molecule contains the following groups: Carboxylic Acid, Ether, Nitrile.
|
|
Provide a comprehensive chemical profile for the building block <BB_96>.
|
**Token:** <BB_96>
**SMILES:** N#Cc1cccc(OCc2nc(C(=O)O)cs2)c1
**Molecular Formula:** C12H8N2O3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ether, Nitrile
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Provide the SMILES representation for the building block token <BB_97>.
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CC(Oc1ccc(Cl)cc1C1CCCCC1)C(=O)O
|
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What is the building block token for the following molecule?
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CC(Oc1ccc(Cl)cc1C1CCCCC1)C(=O)O
|
<BB_97>
|
What is the molecular formula for <BB_97>?
|
The molecular formula for <BB_97> (CC(Oc1ccc(Cl)cc1C1CCCCC1)C(=O)O) is C15H19ClO3.
|
|
Describe the ring structures in building block <BB_97>.
|
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_97>.
|
The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_97>.
|
**Token:** <BB_97>
**SMILES:** CC(Oc1ccc(Cl)cc1C1CCCCC1)C(=O)O
**Molecular Formula:** C15H19ClO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_98>.
|
CC1(CC2CO2)CCCO1
|
|
What is the building block token for the following molecule?
|
CC1(CC2CO2)CCCO1
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<BB_98>
|
What is the molecular formula for <BB_98>?
|
The molecular formula for <BB_98> (CC1(CC2CO2)CCCO1) is C8H14O2.
|
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Describe the ring structures in building block <BB_98>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_98>.
|
The molecule contains the following groups: Ether.
|
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Provide a comprehensive chemical profile for the building block <BB_98>.
|
**Token:** <BB_98>
**SMILES:** CC1(CC2CO2)CCCO1
**Molecular Formula:** C8H14O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 5.
**Functional Groups:** Ether
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Provide the SMILES representation for the building block token <BB_99>.
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CC1COc2cc(C(=O)O)ccc21
|
|
What is the building block token for the following molecule?
|
CC1COc2cc(C(=O)O)ccc21
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<BB_99>
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What is the molecular formula for <BB_99>?
|
The molecular formula for <BB_99> (CC1COc2cc(C(=O)O)ccc21) is C10H10O3.
|
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Describe the ring structures in building block <BB_99>.
|
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_99>.
|
The molecule contains the following groups: Carboxylic Acid, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_99>.
|
**Token:** <BB_99>
**SMILES:** CC1COc2cc(C(=O)O)ccc21
**Molecular Formula:** C10H10O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether
|
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