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List the primary functional groups present in <BB_666>.
|
The molecule contains the following groups: Amine, Tertiary Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_666>.
|
**Token:** <BB_666>
**SMILES:** Cc1cccc(N2CCC(N)CC2)n1
**Molecular Formula:** C11H17N3
**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
|
|
Provide the SMILES representation for the building block token <BB_667>.
|
CC(C)(F)C#N
|
|
What is the building block token for the following molecule?
|
CC(C)(F)C#N
|
<BB_667>
|
What is the molecular formula for <BB_667>?
|
The molecular formula for <BB_667> (CC(C)(F)C#N) is C4H6FN.
|
|
Describe the ring structures in building block <BB_667>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_667>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile.
|
|
Provide a comprehensive chemical profile for the building block <BB_667>.
|
**Token:** <BB_667>
**SMILES:** CC(C)(F)C#N
**Molecular Formula:** C4H6FN
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile
|
|
Provide the SMILES representation for the building block token <BB_668>.
|
C[C@@H](N)c1ccc(O)nc1.Cl.Cl
|
|
What is the building block token for the following molecule?
|
C[C@@H](N)c1ccc(O)nc1.Cl.Cl
|
<BB_668>
|
What is the molecular formula for <BB_668>?
|
The molecular formula for <BB_668> (C[C@@H](N)c1ccc(O)nc1.Cl.Cl) is C7H12Cl2N2O.
|
|
Describe the ring structures in building block <BB_668>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_668>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_668>.
|
**Token:** <BB_668>
**SMILES:** C[C@@H](N)c1ccc(O)nc1.Cl.Cl
**Molecular Formula:** C7H12Cl2N2O
**Ring System:** The molecule contains 1 ring(s): 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_669>.
|
CC(C)(C)OC(=O)N1CC2(CF)CC(C(=O)O)(C1)C2
|
|
What is the building block token for the following molecule?
|
CC(C)(C)OC(=O)N1CC2(CF)CC(C(=O)O)(C1)C2
|
<BB_669>
|
What is the molecular formula for <BB_669>?
|
The molecular formula for <BB_669> (CC(C)(C)OC(=O)N1CC2(CF)CC(C(=O)O)(C1)C2) is C13H20FNO4.
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|
Describe the ring structures in building block <BB_669>.
|
The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_669>.
|
The molecule contains the following groups: Carboxylic Acid, Amide, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_669>.
|
**Token:** <BB_669>
**SMILES:** CC(C)(C)OC(=O)N1CC2(CF)CC(C(=O)O)(C1)C2
**Molecular Formula:** C13H20FNO4
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_670>.
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CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CO)[C@H]2C1
|
|
What is the building block token for the following molecule?
|
CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CO)[C@H]2C1
|
<BB_670>
|
What is the molecular formula for <BB_670>?
|
The molecular formula for <BB_670> (CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CO)[C@H]2C1) is C12H21NO3.
|
|
Describe the ring structures in building block <BB_670>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
|
|
List the primary functional groups present in <BB_670>.
|
The molecule contains the following groups: Amide, Alcohol, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_670>.
|
**Token:** <BB_670>
**SMILES:** CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CO)[C@H]2C1
**Molecular Formula:** C12H21NO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amide, Alcohol, Ether
|
|
Provide the SMILES representation for the building block token <BB_671>.
|
[2H]c1cccc(O)c1
|
|
What is the building block token for the following molecule?
|
[2H]c1cccc(O)c1
|
<BB_671>
|
What is the molecular formula for <BB_671>?
|
The molecular formula for <BB_671> ([2H]c1cccc(O)c1) is C6H6O.
|
|
Describe the ring structures in building block <BB_671>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_671>.
|
The molecule contains the following groups: None specific.
|
|
Provide a comprehensive chemical profile for the building block <BB_671>.
|
**Token:** <BB_671>
**SMILES:** [2H]c1cccc(O)c1
**Molecular Formula:** C6H6O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific
|
|
Provide the SMILES representation for the building block token <BB_672>.
|
NNc1ncnc2ccccc12
|
|
What is the building block token for the following molecule?
|
NNc1ncnc2ccccc12
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<BB_672>
|
What is the molecular formula for <BB_672>?
|
The molecular formula for <BB_672> (NNc1ncnc2ccccc12) is C8H8N4.
|
|
Describe the ring structures in building block <BB_672>.
|
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_672>.
|
The molecule contains the following groups: Amine, Secondary Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_672>.
|
**Token:** <BB_672>
**SMILES:** NNc1ncnc2ccccc12
**Molecular Formula:** C8H8N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine
|
|
Provide the SMILES representation for the building block token <BB_673>.
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F[B-](F)(F)C1CCSCC1.[K+]
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|
What is the building block token for the following molecule?
|
F[B-](F)(F)C1CCSCC1.[K+]
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<BB_673>
|
What is the molecular formula for <BB_673>?
|
The molecular formula for <BB_673> (F[B-](F)(F)C1CCSCC1.[K+]) is C5H9BF3KS.
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Describe the ring structures in building block <BB_673>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
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|
List the primary functional groups present in <BB_673>.
|
The molecule contains the following groups: Sulfide, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_673>.
|
**Token:** <BB_673>
**SMILES:** F[B-](F)(F)C1CCSCC1.[K+]
**Molecular Formula:** C5H9BF3KS
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Sulfide, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_674>.
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CC1CCCN(S(=O)(=O)c2ccc(CN)cc2)C1
|
|
What is the building block token for the following molecule?
|
CC1CCCN(S(=O)(=O)c2ccc(CN)cc2)C1
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<BB_674>
|
What is the molecular formula for <BB_674>?
|
The molecular formula for <BB_674> (CC1CCCN(S(=O)(=O)c2ccc(CN)cc2)C1) is C13H20N2O2S.
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Describe the ring structures in building block <BB_674>.
|
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_674>.
|
The molecule contains the following groups: Amine, Tertiary Amine, Sulfonamide.
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|
Provide a comprehensive chemical profile for the building block <BB_674>.
|
**Token:** <BB_674>
**SMILES:** CC1CCCN(S(=O)(=O)c2ccc(CN)cc2)C1
**Molecular Formula:** C13H20N2O2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Sulfonamide
|
|
Provide the SMILES representation for the building block token <BB_675>.
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O=[N+]([O-])c1ccc2c(c1)NCCN2
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|
What is the building block token for the following molecule?
|
O=[N+]([O-])c1ccc2c(c1)NCCN2
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<BB_675>
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What is the molecular formula for <BB_675>?
|
The molecular formula for <BB_675> (O=[N+]([O-])c1ccc2c(c1)NCCN2) is C8H9N3O2.
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|
Describe the ring structures in building block <BB_675>.
|
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_675>.
|
The molecule contains the following groups: Secondary Amine, Tertiary Amine, Nitro.
|
|
Provide a comprehensive chemical profile for the building block <BB_675>.
|
**Token:** <BB_675>
**SMILES:** O=[N+]([O-])c1ccc2c(c1)NCCN2
**Molecular Formula:** C8H9N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Nitro
|
|
Provide the SMILES representation for the building block token <BB_676>.
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O=C(O)CC1(c2ccccc2Cl)CC1
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|
What is the building block token for the following molecule?
|
O=C(O)CC1(c2ccccc2Cl)CC1
|
<BB_676>
|
What is the molecular formula for <BB_676>?
|
The molecular formula for <BB_676> (O=C(O)CC1(c2ccccc2Cl)CC1) is C11H11ClO2.
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Describe the ring structures in building block <BB_676>.
|
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_676>.
|
The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_676>.
|
**Token:** <BB_676>
**SMILES:** O=C(O)CC1(c2ccccc2Cl)CC1
**Molecular Formula:** C11H11ClO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_677>.
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Cc1nc(N)ccc1C#N
|
|
What is the building block token for the following molecule?
|
Cc1nc(N)ccc1C#N
|
<BB_677>
|
What is the molecular formula for <BB_677>?
|
The molecular formula for <BB_677> (Cc1nc(N)ccc1C#N) is C7H7N3.
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Describe the ring structures in building block <BB_677>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_677>.
|
The molecule contains the following groups: Amine, Nitrile.
|
|
Provide a comprehensive chemical profile for the building block <BB_677>.
|
**Token:** <BB_677>
**SMILES:** Cc1nc(N)ccc1C#N
**Molecular Formula:** C7H7N3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Nitrile
|
|
Provide the SMILES representation for the building block token <BB_678>.
|
Cl.NCc1cccc(F)c1C1CC1
|
|
What is the building block token for the following molecule?
|
Cl.NCc1cccc(F)c1C1CC1
|
<BB_678>
|
What is the molecular formula for <BB_678>?
|
The molecular formula for <BB_678> (Cl.NCc1cccc(F)c1C1CC1) is C10H13ClFN.
|
|
Describe the ring structures in building block <BB_678>.
|
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_678>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_678>.
|
**Token:** <BB_678>
**SMILES:** Cl.NCc1cccc(F)c1C1CC1
**Molecular Formula:** C10H13ClFN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_679>.
|
CC1C(N)CC1O
|
|
What is the building block token for the following molecule?
|
CC1C(N)CC1O
|
<BB_679>
|
What is the molecular formula for <BB_679>?
|
The molecular formula for <BB_679> (CC1C(N)CC1O) is C5H11NO.
|
|
Describe the ring structures in building block <BB_679>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 4.
|
|
List the primary functional groups present in <BB_679>.
|
The molecule contains the following groups: Amine, Alcohol.
|
|
Provide a comprehensive chemical profile for the building block <BB_679>.
|
**Token:** <BB_679>
**SMILES:** CC1C(N)CC1O
**Molecular Formula:** C5H11NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amine, Alcohol
|
|
Provide the SMILES representation for the building block token <BB_680>.
|
CC1C(=O)NCC1C1CC1
|
|
What is the building block token for the following molecule?
|
CC1C(=O)NCC1C1CC1
|
<BB_680>
|
What is the molecular formula for <BB_680>?
|
The molecular formula for <BB_680> (CC1C(=O)NCC1C1CC1) is C8H13NO.
|
|
Describe the ring structures in building block <BB_680>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3.
|
|
List the primary functional groups present in <BB_680>.
|
The molecule contains the following groups: Amide.
|
|
Provide a comprehensive chemical profile for the building block <BB_680>.
|
**Token:** <BB_680>
**SMILES:** CC1C(=O)NCC1C1CC1
**Molecular Formula:** C8H13NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Amide
|
|
Provide the SMILES representation for the building block token <BB_681>.
|
C=Cc1ccc(OC)nc1
|
|
What is the building block token for the following molecule?
|
C=Cc1ccc(OC)nc1
|
<BB_681>
|
What is the molecular formula for <BB_681>?
|
The molecular formula for <BB_681> (C=Cc1ccc(OC)nc1) is C8H9NO.
|
|
Describe the ring structures in building block <BB_681>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_681>.
|
The molecule contains the following groups: Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_681>.
|
**Token:** <BB_681>
**SMILES:** C=Cc1ccc(OC)nc1
**Molecular Formula:** C8H9NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether
|
|
Provide the SMILES representation for the building block token <BB_682>.
|
COC(=O)c1cc(F)ccc1S
|
|
What is the building block token for the following molecule?
|
COC(=O)c1cc(F)ccc1S
|
<BB_682>
|
What is the molecular formula for <BB_682>?
|
The molecular formula for <BB_682> (COC(=O)c1cc(F)ccc1S) is C8H7FO2S.
|
|
Describe the ring structures in building block <BB_682>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_682>.
|
The molecule contains the following groups: Ester, Ether, Thiol, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_682>.
|
**Token:** <BB_682>
**SMILES:** COC(=O)c1cc(F)ccc1S
**Molecular Formula:** C8H7FO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Thiol, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_683>.
|
Cc1ccc2ccc(N)c(O)c2n1
|
|
What is the building block token for the following molecule?
|
Cc1ccc2ccc(N)c(O)c2n1
|
<BB_683>
|
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