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List the primary functional groups present in <BB_466>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile.
|
|
Provide a comprehensive chemical profile for the building block <BB_466>.
|
**Token:** <BB_466>
**SMILES:** Cn1ncc(C#N)c1F
**Molecular Formula:** C5H4FN3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile
|
|
Provide the SMILES representation for the building block token <BB_467>.
|
C[C@H](N)c1cccc(Cl)c1Cl.Cl
|
|
What is the building block token for the following molecule?
|
C[C@H](N)c1cccc(Cl)c1Cl.Cl
|
<BB_467>
|
What is the molecular formula for <BB_467>?
|
The molecular formula for <BB_467> (C[C@H](N)c1cccc(Cl)c1Cl.Cl) is C8H10Cl3N.
|
|
Describe the ring structures in building block <BB_467>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_467>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_467>.
|
**Token:** <BB_467>
**SMILES:** C[C@H](N)c1cccc(Cl)c1Cl.Cl
**Molecular Formula:** C8H10Cl3N
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_468>.
|
Cl.O=C(C1CCOCC1)N1CCNCC1
|
|
What is the building block token for the following molecule?
|
Cl.O=C(C1CCOCC1)N1CCNCC1
|
<BB_468>
|
What is the molecular formula for <BB_468>?
|
The molecular formula for <BB_468> (Cl.O=C(C1CCOCC1)N1CCNCC1) is C10H19ClN2O2.
|
|
Describe the ring structures in building block <BB_468>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_468>.
|
The molecule contains the following groups: Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_468>.
|
**Token:** <BB_468>
**SMILES:** Cl.O=C(C1CCOCC1)N1CCNCC1
**Molecular Formula:** C10H19ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_469>.
|
OCc1csc(C2OCCO2)n1
|
|
What is the building block token for the following molecule?
|
OCc1csc(C2OCCO2)n1
|
<BB_469>
|
What is the molecular formula for <BB_469>?
|
The molecular formula for <BB_469> (OCc1csc(C2OCCO2)n1) is C7H9NO3S.
|
|
Describe the ring structures in building block <BB_469>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_469>.
|
The molecule contains the following groups: Alcohol, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_469>.
|
**Token:** <BB_469>
**SMILES:** OCc1csc(C2OCCO2)n1
**Molecular Formula:** C7H9NO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Alcohol, Ether
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|
Provide the SMILES representation for the building block token <BB_470>.
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c1cnoc1
|
|
What is the building block token for the following molecule?
|
c1cnoc1
|
<BB_470>
|
What is the molecular formula for <BB_470>?
|
The molecular formula for <BB_470> (c1cnoc1) is C3H3NO.
|
|
Describe the ring structures in building block <BB_470>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_470>.
|
The molecule contains the following groups: None specific.
|
|
Provide a comprehensive chemical profile for the building block <BB_470>.
|
**Token:** <BB_470>
**SMILES:** c1cnoc1
**Molecular Formula:** C3H3NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** None specific
|
|
Provide the SMILES representation for the building block token <BB_471>.
|
O=C(NCC(F)(F)F)c1ccccc1
|
|
What is the building block token for the following molecule?
|
O=C(NCC(F)(F)F)c1ccccc1
|
<BB_471>
|
What is the molecular formula for <BB_471>?
|
The molecular formula for <BB_471> (O=C(NCC(F)(F)F)c1ccccc1) is C9H8F3NO.
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|
Describe the ring structures in building block <BB_471>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_471>.
|
The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_471>.
|
**Token:** <BB_471>
**SMILES:** O=C(NCC(F)(F)F)c1ccccc1
**Molecular Formula:** C9H8F3NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_472>.
|
Nc1n[nH]c2cc(Br)ccc12
|
|
What is the building block token for the following molecule?
|
Nc1n[nH]c2cc(Br)ccc12
|
<BB_472>
|
What is the molecular formula for <BB_472>?
|
The molecular formula for <BB_472> (Nc1n[nH]c2cc(Br)ccc12) is C7H6BrN3.
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|
Describe the ring structures in building block <BB_472>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_472>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_472>.
|
**Token:** <BB_472>
**SMILES:** Nc1n[nH]c2cc(Br)ccc12
**Molecular Formula:** C7H6BrN3
**Ring System:** The molecule contains 2 ring(s): 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_473>.
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Cc1nn(C2CCCCO2)c(C)c1Br
|
|
What is the building block token for the following molecule?
|
Cc1nn(C2CCCCO2)c(C)c1Br
|
<BB_473>
|
What is the molecular formula for <BB_473>?
|
The molecular formula for <BB_473> (Cc1nn(C2CCCCO2)c(C)c1Br) is C10H15BrN2O.
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|
Describe the ring structures in building block <BB_473>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_473>.
|
The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_473>.
|
**Token:** <BB_473>
**SMILES:** Cc1nn(C2CCCCO2)c(C)c1Br
**Molecular Formula:** C10H15BrN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_474>.
|
Cc1ccc(N)nc1C(=O)O
|
|
What is the building block token for the following molecule?
|
Cc1ccc(N)nc1C(=O)O
|
<BB_474>
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What is the molecular formula for <BB_474>?
|
The molecular formula for <BB_474> (Cc1ccc(N)nc1C(=O)O) is C7H8N2O2.
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Describe the ring structures in building block <BB_474>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_474>.
|
The molecule contains the following groups: Carboxylic Acid, Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_474>.
|
**Token:** <BB_474>
**SMILES:** Cc1ccc(N)nc1C(=O)O
**Molecular Formula:** C7H8N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine
|
|
Provide the SMILES representation for the building block token <BB_475>.
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O=CCCc1ccccn1
|
|
What is the building block token for the following molecule?
|
O=CCCc1ccccn1
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<BB_475>
|
What is the molecular formula for <BB_475>?
|
The molecular formula for <BB_475> (O=CCCc1ccccn1) is C8H9NO.
|
|
Describe the ring structures in building block <BB_475>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_475>.
|
The molecule contains the following groups: Aldehyde.
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|
Provide a comprehensive chemical profile for the building block <BB_475>.
|
**Token:** <BB_475>
**SMILES:** O=CCCc1ccccn1
**Molecular Formula:** C8H9NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde
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|
Provide the SMILES representation for the building block token <BB_476>.
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C#CC1CCC2(CCC2)C1
|
|
What is the building block token for the following molecule?
|
C#CC1CCC2(CCC2)C1
|
<BB_476>
|
What is the molecular formula for <BB_476>?
|
The molecular formula for <BB_476> (C#CC1CCC2(CCC2)C1) is C10H14.
|
|
Describe the ring structures in building block <BB_476>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
|
|
List the primary functional groups present in <BB_476>.
|
The molecule contains the following groups: None specific.
|
|
Provide a comprehensive chemical profile for the building block <BB_476>.
|
**Token:** <BB_476>
**SMILES:** C#CC1CCC2(CCC2)C1
**Molecular Formula:** C10H14
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** None specific
|
|
Provide the SMILES representation for the building block token <BB_477>.
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O=C(N[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccccc1
|
|
What is the building block token for the following molecule?
|
O=C(N[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccccc1
|
<BB_477>
|
What is the molecular formula for <BB_477>?
|
The molecular formula for <BB_477> (O=C(N[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccccc1) is C13H15NO.
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|
Describe the ring structures in building block <BB_477>.
|
The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_477>.
|
The molecule contains the following groups: Amide.
|
|
Provide a comprehensive chemical profile for the building block <BB_477>.
|
**Token:** <BB_477>
**SMILES:** O=C(N[C@@H]1C[C@@H]2C[C@@H]2C1)c1ccccc1
**Molecular Formula:** C13H15NO
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3, an aromatic ring of size 6.
**Functional Groups:** Amide
|
|
Provide the SMILES representation for the building block token <BB_478>.
|
CCOC(=O)[C@]1(C)C[C@H]1C(=O)O
|
|
What is the building block token for the following molecule?
|
CCOC(=O)[C@]1(C)C[C@H]1C(=O)O
|
<BB_478>
|
What is the molecular formula for <BB_478>?
|
The molecular formula for <BB_478> (CCOC(=O)[C@]1(C)C[C@H]1C(=O)O) is C8H12O4.
|
|
Describe the ring structures in building block <BB_478>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 3.
|
|
List the primary functional groups present in <BB_478>.
|
The molecule contains the following groups: Carboxylic Acid, Ester, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_478>.
|
**Token:** <BB_478>
**SMILES:** CCOC(=O)[C@]1(C)C[C@H]1C(=O)O
**Molecular Formula:** C8H12O4
**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_479>.
|
Cc1ccc(O)nc1Cl
|
|
What is the building block token for the following molecule?
|
Cc1ccc(O)nc1Cl
|
<BB_479>
|
What is the molecular formula for <BB_479>?
|
The molecular formula for <BB_479> (Cc1ccc(O)nc1Cl) is C6H6ClNO.
|
|
Describe the ring structures in building block <BB_479>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_479>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_479>.
|
**Token:** <BB_479>
**SMILES:** Cc1ccc(O)nc1Cl
**Molecular Formula:** C6H6ClNO
**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_480>.
|
Clc1cc2c(nn1)-c1ccccc1CCC2
|
|
What is the building block token for the following molecule?
|
Clc1cc2c(nn1)-c1ccccc1CCC2
|
<BB_480>
|
What is the molecular formula for <BB_480>?
|
The molecular formula for <BB_480> (Clc1cc2c(nn1)-c1ccccc1CCC2) is C13H11ClN2.
|
|
Describe the ring structures in building block <BB_480>.
|
The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 7.
|
|
List the primary functional groups present in <BB_480>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_480>.
|
**Token:** <BB_480>
**SMILES:** Clc1cc2c(nn1)-c1ccccc1CCC2
**Molecular Formula:** C13H11ClN2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 7.
**Functional Groups:** Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_481>.
|
Cc1cc(I)cc(C(=O)O)c1
|
|
What is the building block token for the following molecule?
|
Cc1cc(I)cc(C(=O)O)c1
|
<BB_481>
|
What is the molecular formula for <BB_481>?
|
The molecular formula for <BB_481> (Cc1cc(I)cc(C(=O)O)c1) is C8H7IO2.
|
|
Describe the ring structures in building block <BB_481>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_481>.
|
The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_481>.
|
**Token:** <BB_481>
**SMILES:** Cc1cc(I)cc(C(=O)O)c1
**Molecular Formula:** C8H7IO2
**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_482>.
|
O=C1CCc2cc(O)ccc2O1
|
|
What is the building block token for the following molecule?
|
O=C1CCc2cc(O)ccc2O1
|
<BB_482>
|
What is the molecular formula for <BB_482>?
|
The molecular formula for <BB_482> (O=C1CCc2cc(O)ccc2O1) is C9H8O3.
|
|
Describe the ring structures in building block <BB_482>.
|
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_482>.
|
The molecule contains the following groups: Ester, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_482>.
|
**Token:** <BB_482>
**SMILES:** O=C1CCc2cc(O)ccc2O1
**Molecular Formula:** C9H8O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ester, Ether
|
|
Provide the SMILES representation for the building block token <BB_483>.
|
Cc1ncn(C)c1C(=O)[O-].[K+]
|
|
What is the building block token for the following molecule?
|
Cc1ncn(C)c1C(=O)[O-].[K+]
|
<BB_483>
|
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