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What is the molecular formula for <BB_283>?
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The molecular formula for <BB_283> (CC(C)(C)OC(=O)NCCCCCCCCCBr) is C14H28BrNO2.
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|
Describe the ring structures in building block <BB_283>.
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The molecule is acyclic (contains no rings).
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|
List the primary functional groups present in <BB_283>.
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The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_283>.
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**Token:** <BB_283>
**SMILES:** CC(C)(C)OC(=O)NCCCCCCCCCBr
**Molecular Formula:** C14H28BrNO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_284>.
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O=C1COc2c1ccc(Cl)c2Cl
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|
What is the building block token for the following molecule?
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O=C1COc2c1ccc(Cl)c2Cl
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<BB_284>
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What is the molecular formula for <BB_284>?
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The molecular formula for <BB_284> (O=C1COc2c1ccc(Cl)c2Cl) is C8H4Cl2O2.
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Describe the ring structures in building block <BB_284>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
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List the primary functional groups present in <BB_284>.
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The molecule contains the following groups: Ketone, Ether, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_284>.
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**Token:** <BB_284>
**SMILES:** O=C1COc2c1ccc(Cl)c2Cl
**Molecular Formula:** C8H4Cl2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ketone, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_285>.
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N#CC1CCCCC(O)C1
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What is the building block token for the following molecule?
|
N#CC1CCCCC(O)C1
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<BB_285>
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What is the molecular formula for <BB_285>?
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The molecular formula for <BB_285> (N#CC1CCCCC(O)C1) is C8H13NO.
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Describe the ring structures in building block <BB_285>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 7.
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List the primary functional groups present in <BB_285>.
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The molecule contains the following groups: Alcohol, Nitrile.
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Provide a comprehensive chemical profile for the building block <BB_285>.
|
**Token:** <BB_285>
**SMILES:** N#CC1CCCCC(O)C1
**Molecular Formula:** C8H13NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Alcohol, Nitrile
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Provide the SMILES representation for the building block token <BB_286>.
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Oc1ccc(Br)c2cnoc12
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What is the building block token for the following molecule?
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Oc1ccc(Br)c2cnoc12
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<BB_286>
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What is the molecular formula for <BB_286>?
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The molecular formula for <BB_286> (Oc1ccc(Br)c2cnoc12) is C7H4BrNO2.
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Describe the ring structures in building block <BB_286>.
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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_286>.
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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_286>.
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**Token:** <BB_286>
**SMILES:** Oc1ccc(Br)c2cnoc12
**Molecular Formula:** C7H4BrNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_287>.
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Cc1nn(Cc2ccccc2)c(Cl)c1CCl
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What is the building block token for the following molecule?
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Cc1nn(Cc2ccccc2)c(Cl)c1CCl
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<BB_287>
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What is the molecular formula for <BB_287>?
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The molecular formula for <BB_287> (Cc1nn(Cc2ccccc2)c(Cl)c1CCl) is C12H12Cl2N2.
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Describe the ring structures in building block <BB_287>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
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List the primary functional groups present in <BB_287>.
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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_287>.
|
**Token:** <BB_287>
**SMILES:** Cc1nn(Cc2ccccc2)c(Cl)c1CCl
**Molecular Formula:** C12H12Cl2N2
**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)
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Provide the SMILES representation for the building block token <BB_288>.
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Cc1cc(SC#N)cc(C)c1NC(=O)CCl
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What is the building block token for the following molecule?
|
Cc1cc(SC#N)cc(C)c1NC(=O)CCl
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<BB_288>
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What is the molecular formula for <BB_288>?
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The molecular formula for <BB_288> (Cc1cc(SC#N)cc(C)c1NC(=O)CCl) is C11H11ClN2OS.
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Describe the ring structures in building block <BB_288>.
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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_288>.
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The molecule contains the following groups: Amide, Sulfide, Halogen (F,Cl,Br,I), Nitrile.
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Provide a comprehensive chemical profile for the building block <BB_288>.
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**Token:** <BB_288>
**SMILES:** Cc1cc(SC#N)cc(C)c1NC(=O)CCl
**Molecular Formula:** C11H11ClN2OS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Sulfide, Halogen (F,Cl,Br,I), Nitrile
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Provide the SMILES representation for the building block token <BB_289>.
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COCCCC(N)c1cccnc1
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What is the building block token for the following molecule?
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COCCCC(N)c1cccnc1
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<BB_289>
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What is the molecular formula for <BB_289>?
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The molecular formula for <BB_289> (COCCCC(N)c1cccnc1) is C10H16N2O.
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Describe the ring structures in building block <BB_289>.
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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_289>.
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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_289>.
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**Token:** <BB_289>
**SMILES:** COCCCC(N)c1cccnc1
**Molecular Formula:** C10H16N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether
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Provide the SMILES representation for the building block token <BB_290>.
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CC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
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What is the building block token for the following molecule?
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CC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
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<BB_290>
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What is the molecular formula for <BB_290>?
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The molecular formula for <BB_290> (CC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1) is C10H8N2O3.
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Describe the ring structures in building block <BB_290>.
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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_290>.
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The molecule contains the following groups: Ketone.
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Provide a comprehensive chemical profile for the building block <BB_290>.
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**Token:** <BB_290>
**SMILES:** CC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
**Molecular Formula:** C10H8N2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ketone
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Provide the SMILES representation for the building block token <BB_291>.
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Cc1nn(C)c(C)c1C=O
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What is the building block token for the following molecule?
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Cc1nn(C)c(C)c1C=O
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<BB_291>
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What is the molecular formula for <BB_291>?
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The molecular formula for <BB_291> (Cc1nn(C)c(C)c1C=O) is C7H10N2O.
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Describe the ring structures in building block <BB_291>.
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The molecule contains 1 ring(s): an aromatic ring of size 5.
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List the primary functional groups present in <BB_291>.
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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_291>.
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**Token:** <BB_291>
**SMILES:** Cc1nn(C)c(C)c1C=O
**Molecular Formula:** C7H10N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Aldehyde
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Provide the SMILES representation for the building block token <BB_292>.
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COc1nccnc1CC(=O)[O-].[Na+]
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What is the building block token for the following molecule?
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COc1nccnc1CC(=O)[O-].[Na+]
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<BB_292>
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What is the molecular formula for <BB_292>?
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The molecular formula for <BB_292> (COc1nccnc1CC(=O)[O-].[Na+]) is C7H7N2NaO3.
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Describe the ring structures in building block <BB_292>.
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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_292>.
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The molecule contains the following groups: Ether.
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Provide a comprehensive chemical profile for the building block <BB_292>.
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**Token:** <BB_292>
**SMILES:** COc1nccnc1CC(=O)[O-].[Na+]
**Molecular Formula:** C7H7N2NaO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether
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Provide the SMILES representation for the building block token <BB_293>.
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CS(=O)(=O)Nc1ccc(N2CCNCC2)cc1.Cl
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What is the building block token for the following molecule?
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CS(=O)(=O)Nc1ccc(N2CCNCC2)cc1.Cl
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<BB_293>
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What is the molecular formula for <BB_293>?
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The molecular formula for <BB_293> (CS(=O)(=O)Nc1ccc(N2CCNCC2)cc1.Cl) is C11H18ClN3O2S.
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Describe the ring structures in building block <BB_293>.
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The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
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|
List the primary functional groups present in <BB_293>.
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The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide.
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Provide a comprehensive chemical profile for the building block <BB_293>.
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**Token:** <BB_293>
**SMILES:** CS(=O)(=O)Nc1ccc(N2CCNCC2)cc1.Cl
**Molecular Formula:** C11H18ClN3O2S
**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, Halogen (F,Cl,Br,I), Sulfonamide
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Provide the SMILES representation for the building block token <BB_294>.
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CC(C)(C)OC(=O)Nc1cccc(CCCN)c1
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What is the building block token for the following molecule?
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CC(C)(C)OC(=O)Nc1cccc(CCCN)c1
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<BB_294>
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What is the molecular formula for <BB_294>?
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The molecular formula for <BB_294> (CC(C)(C)OC(=O)Nc1cccc(CCCN)c1) is C14H22N2O2.
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Describe the ring structures in building block <BB_294>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_294>.
|
The molecule contains the following groups: Amine, Amide, Ether.
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Provide a comprehensive chemical profile for the building block <BB_294>.
|
**Token:** <BB_294>
**SMILES:** CC(C)(C)OC(=O)Nc1cccc(CCCN)c1
**Molecular Formula:** C14H22N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether
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Provide the SMILES representation for the building block token <BB_295>.
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CCOC(=O)C1(C(=O)O)CC1(C)C
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What is the building block token for the following molecule?
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CCOC(=O)C1(C(=O)O)CC1(C)C
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<BB_295>
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What is the molecular formula for <BB_295>?
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The molecular formula for <BB_295> (CCOC(=O)C1(C(=O)O)CC1(C)C) is C9H14O4.
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Describe the ring structures in building block <BB_295>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 3.
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|
List the primary functional groups present in <BB_295>.
|
The molecule contains the following groups: Carboxylic Acid, Ester, Ether.
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Provide a comprehensive chemical profile for the building block <BB_295>.
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**Token:** <BB_295>
**SMILES:** CCOC(=O)C1(C(=O)O)CC1(C)C
**Molecular Formula:** C9H14O4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Ester, Ether
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Provide the SMILES representation for the building block token <BB_296>.
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Nc1ccn(C[C@H](O)CO)c(=O)n1
|
|
What is the building block token for the following molecule?
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Nc1ccn(C[C@H](O)CO)c(=O)n1
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<BB_296>
|
What is the molecular formula for <BB_296>?
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The molecular formula for <BB_296> (Nc1ccn(C[C@H](O)CO)c(=O)n1) is C7H11N3O3.
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Describe the ring structures in building block <BB_296>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_296>.
|
The molecule contains the following groups: Amine, Alcohol.
|
|
Provide a comprehensive chemical profile for the building block <BB_296>.
|
**Token:** <BB_296>
**SMILES:** Nc1ccn(C[C@H](O)CO)c(=O)n1
**Molecular Formula:** C7H11N3O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Alcohol
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Provide the SMILES representation for the building block token <BB_297>.
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CCc1cc(N)c(C(=O)O)c(F)c1
|
|
What is the building block token for the following molecule?
|
CCc1cc(N)c(C(=O)O)c(F)c1
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<BB_297>
|
What is the molecular formula for <BB_297>?
|
The molecular formula for <BB_297> (CCc1cc(N)c(C(=O)O)c(F)c1) is C9H10FNO2.
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Describe the ring structures in building block <BB_297>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_297>.
|
The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_297>.
|
**Token:** <BB_297>
**SMILES:** CCc1cc(N)c(C(=O)O)c(F)c1
**Molecular Formula:** C9H10FNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_298>.
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COC1(C(F)F)CC2(CNC2)C1.Cl
|
|
What is the building block token for the following molecule?
|
COC1(C(F)F)CC2(CNC2)C1.Cl
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<BB_298>
|
What is the molecular formula for <BB_298>?
|
The molecular formula for <BB_298> (COC1(C(F)F)CC2(CNC2)C1.Cl) is C8H14ClF2NO.
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Describe the ring structures in building block <BB_298>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
|
|
List the primary functional groups present in <BB_298>.
|
The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_298>.
|
**Token:** <BB_298>
**SMILES:** COC1(C(F)F)CC2(CNC2)C1.Cl
**Molecular Formula:** C8H14ClF2NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_299>.
|
Cl.OC[C@]12CNC[C@H]1C2
|
|
What is the building block token for the following molecule?
|
Cl.OC[C@]12CNC[C@H]1C2
|
<BB_299>
|
What is the molecular formula for <BB_299>?
|
The molecular formula for <BB_299> (Cl.OC[C@]12CNC[C@H]1C2) is C6H12ClNO.
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Describe the ring structures in building block <BB_299>.
|
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_299>.
|
The molecule contains the following groups: Secondary Amine, Alcohol, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_299>.
|
**Token:** <BB_299>
**SMILES:** Cl.OC[C@]12CNC[C@H]1C2
**Molecular Formula:** C6H12ClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Secondary Amine, Alcohol, Halogen (F,Cl,Br,I)
|
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