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List the primary functional groups present in <BB_516>.
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The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro.
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Provide a comprehensive chemical profile for the building block <BB_516>.
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**Token:** <BB_516>
**SMILES:** O=[N+]([O-])c1cnn2c1NCCC2C(F)(F)F
**Molecular Formula:** C7H7F3N4O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro
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|
Provide the SMILES representation for the building block token <BB_517>.
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COCn1ncc(Br)n1
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|
What is the building block token for the following molecule?
|
COCn1ncc(Br)n1
|
<BB_517>
|
What is the molecular formula for <BB_517>?
|
The molecular formula for <BB_517> (COCn1ncc(Br)n1) is C4H6BrN3O.
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Describe the ring structures in building block <BB_517>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
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|
List the primary functional groups present in <BB_517>.
|
The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_517>.
|
**Token:** <BB_517>
**SMILES:** COCn1ncc(Br)n1
**Molecular Formula:** C4H6BrN3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_518>.
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O=C(O)CCCc1cc(Cl)sc1Cl
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|
What is the building block token for the following molecule?
|
O=C(O)CCCc1cc(Cl)sc1Cl
|
<BB_518>
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What is the molecular formula for <BB_518>?
|
The molecular formula for <BB_518> (O=C(O)CCCc1cc(Cl)sc1Cl) is C8H8Cl2O2S.
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Describe the ring structures in building block <BB_518>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
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List the primary functional groups present in <BB_518>.
|
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_518>.
|
**Token:** <BB_518>
**SMILES:** O=C(O)CCCc1cc(Cl)sc1Cl
**Molecular Formula:** C8H8Cl2O2S
**Ring System:** The molecule contains 1 ring(s): 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_519>.
|
CCC(C)(N)CO
|
|
What is the building block token for the following molecule?
|
CCC(C)(N)CO
|
<BB_519>
|
What is the molecular formula for <BB_519>?
|
The molecular formula for <BB_519> (CCC(C)(N)CO) is C5H13NO.
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Describe the ring structures in building block <BB_519>.
|
The molecule is acyclic (contains no rings).
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|
List the primary functional groups present in <BB_519>.
|
The molecule contains the following groups: Amine, Alcohol.
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Provide a comprehensive chemical profile for the building block <BB_519>.
|
**Token:** <BB_519>
**SMILES:** CCC(C)(N)CO
**Molecular Formula:** C5H13NO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Alcohol
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|
Provide the SMILES representation for the building block token <BB_520>.
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Nc1ccccc1Nc1cccc(C(F)(F)F)c1
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|
What is the building block token for the following molecule?
|
Nc1ccccc1Nc1cccc(C(F)(F)F)c1
|
<BB_520>
|
What is the molecular formula for <BB_520>?
|
The molecular formula for <BB_520> (Nc1ccccc1Nc1cccc(C(F)(F)F)c1) is C13H11F3N2.
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|
Describe the ring structures in building block <BB_520>.
|
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_520>.
|
The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_520>.
|
**Token:** <BB_520>
**SMILES:** Nc1ccccc1Nc1cccc(C(F)(F)F)c1
**Molecular Formula:** C13H11F3N2
**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, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_521>.
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C=CCCc1cccnc1N
|
|
What is the building block token for the following molecule?
|
C=CCCc1cccnc1N
|
<BB_521>
|
What is the molecular formula for <BB_521>?
|
The molecular formula for <BB_521> (C=CCCc1cccnc1N) is C9H12N2.
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|
Describe the ring structures in building block <BB_521>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_521>.
|
The molecule contains the following groups: Amine.
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|
Provide a comprehensive chemical profile for the building block <BB_521>.
|
**Token:** <BB_521>
**SMILES:** C=CCCc1cccnc1N
**Molecular Formula:** C9H12N2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine
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|
Provide the SMILES representation for the building block token <BB_522>.
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O=C(O)C1CCCN(C(=O)Nc2ccccc2F)C1
|
|
What is the building block token for the following molecule?
|
O=C(O)C1CCCN(C(=O)Nc2ccccc2F)C1
|
<BB_522>
|
What is the molecular formula for <BB_522>?
|
The molecular formula for <BB_522> (O=C(O)C1CCCN(C(=O)Nc2ccccc2F)C1) is C13H15FN2O3.
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|
Describe the ring structures in building block <BB_522>.
|
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_522>.
|
The molecule contains the following groups: Carboxylic Acid, Amide, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_522>.
|
**Token:** <BB_522>
**SMILES:** O=C(O)C1CCCN(C(=O)Nc2ccccc2F)C1
**Molecular Formula:** C13H15FN2O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_523>.
|
COCC(=O)C1(C(=O)OC)CC1
|
|
What is the building block token for the following molecule?
|
COCC(=O)C1(C(=O)OC)CC1
|
<BB_523>
|
What is the molecular formula for <BB_523>?
|
The molecular formula for <BB_523> (COCC(=O)C1(C(=O)OC)CC1) is C8H12O4.
|
|
Describe the ring structures in building block <BB_523>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 3.
|
|
List the primary functional groups present in <BB_523>.
|
The molecule contains the following groups: Ester, Ketone, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_523>.
|
**Token:** <BB_523>
**SMILES:** COCC(=O)C1(C(=O)OC)CC1
**Molecular Formula:** C8H12O4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Ester, Ketone, Ether
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|
Provide the SMILES representation for the building block token <BB_524>.
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[N-]=[N+]=Nc1ccc(C(F)(F)F)cn1
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|
What is the building block token for the following molecule?
|
[N-]=[N+]=Nc1ccc(C(F)(F)F)cn1
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<BB_524>
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What is the molecular formula for <BB_524>?
|
The molecular formula for <BB_524> ([N-]=[N+]=Nc1ccc(C(F)(F)F)cn1) is C6H3F3N4.
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Describe the ring structures in building block <BB_524>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_524>.
|
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_524>.
|
**Token:** <BB_524>
**SMILES:** [N-]=[N+]=Nc1ccc(C(F)(F)F)cn1
**Molecular Formula:** C6H3F3N4
**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_525>.
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O=C1N[C@@H]2CC[C@H]1C2
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|
What is the building block token for the following molecule?
|
O=C1N[C@@H]2CC[C@H]1C2
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<BB_525>
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What is the molecular formula for <BB_525>?
|
The molecular formula for <BB_525> (O=C1N[C@@H]2CC[C@H]1C2) is C6H9NO.
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|
Describe the ring structures in building block <BB_525>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_525>.
|
The molecule contains the following groups: Amide.
|
|
Provide a comprehensive chemical profile for the building block <BB_525>.
|
**Token:** <BB_525>
**SMILES:** O=C1N[C@@H]2CC[C@H]1C2
**Molecular Formula:** C6H9NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Amide
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|
Provide the SMILES representation for the building block token <BB_526>.
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CNC1CCN(CC(F)(F)F)CC1
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|
What is the building block token for the following molecule?
|
CNC1CCN(CC(F)(F)F)CC1
|
<BB_526>
|
What is the molecular formula for <BB_526>?
|
The molecular formula for <BB_526> (CNC1CCN(CC(F)(F)F)CC1) is C8H15F3N2.
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|
Describe the ring structures in building block <BB_526>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_526>.
|
The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_526>.
|
**Token:** <BB_526>
**SMILES:** CNC1CCN(CC(F)(F)F)CC1
**Molecular Formula:** C8H15F3N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_527>.
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OC[C@H]1C[C@H](F)C1
|
|
What is the building block token for the following molecule?
|
OC[C@H]1C[C@H](F)C1
|
<BB_527>
|
What is the molecular formula for <BB_527>?
|
The molecular formula for <BB_527> (OC[C@H]1C[C@H](F)C1) is C5H9FO.
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Describe the ring structures in building block <BB_527>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 4.
|
|
List the primary functional groups present in <BB_527>.
|
The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_527>.
|
**Token:** <BB_527>
**SMILES:** OC[C@H]1C[C@H](F)C1
**Molecular Formula:** C5H9FO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_528>.
|
Cl.Cl.O=c1[nH]c2ccccc2cc1C1=CCNCC1
|
|
What is the building block token for the following molecule?
|
Cl.Cl.O=c1[nH]c2ccccc2cc1C1=CCNCC1
|
<BB_528>
|
What is the molecular formula for <BB_528>?
|
The molecular formula for <BB_528> (Cl.Cl.O=c1[nH]c2ccccc2cc1C1=CCNCC1) is C14H16Cl2N2O.
|
|
Describe the ring structures in building block <BB_528>.
|
The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_528>.
|
The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_528>.
|
**Token:** <BB_528>
**SMILES:** Cl.Cl.O=c1[nH]c2ccccc2cc1C1=CCNCC1
**Molecular Formula:** C14H16Cl2N2O
**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 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_529>.
|
N[C@]1(C(F)(F)F)C[C@@H](C(=O)O)C1
|
|
What is the building block token for the following molecule?
|
N[C@]1(C(F)(F)F)C[C@@H](C(=O)O)C1
|
<BB_529>
|
What is the molecular formula for <BB_529>?
|
The molecular formula for <BB_529> (N[C@]1(C(F)(F)F)C[C@@H](C(=O)O)C1) is C6H8F3NO2.
|
|
Describe the ring structures in building block <BB_529>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 4.
|
|
List the primary functional groups present in <BB_529>.
|
The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_529>.
|
**Token:** <BB_529>
**SMILES:** N[C@]1(C(F)(F)F)C[C@@H](C(=O)O)C1
**Molecular Formula:** C6H8F3NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_530>.
|
Cc1cccc(-c2ccc(C(N)=O)cc2)c1
|
|
What is the building block token for the following molecule?
|
Cc1cccc(-c2ccc(C(N)=O)cc2)c1
|
<BB_530>
|
What is the molecular formula for <BB_530>?
|
The molecular formula for <BB_530> (Cc1cccc(-c2ccc(C(N)=O)cc2)c1) is C14H13NO.
|
|
Describe the ring structures in building block <BB_530>.
|
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_530>.
|
The molecule contains the following groups: Amide.
|
|
Provide a comprehensive chemical profile for the building block <BB_530>.
|
**Token:** <BB_530>
**SMILES:** Cc1cccc(-c2ccc(C(N)=O)cc2)c1
**Molecular Formula:** C14H13NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide
|
|
Provide the SMILES representation for the building block token <BB_531>.
|
CC(C)(C)OC(=O)N1CC(O)Cc2ccccc21
|
|
What is the building block token for the following molecule?
|
CC(C)(C)OC(=O)N1CC(O)Cc2ccccc21
|
<BB_531>
|
What is the molecular formula for <BB_531>?
|
The molecular formula for <BB_531> (CC(C)(C)OC(=O)N1CC(O)Cc2ccccc21) is C14H19NO3.
|
|
Describe the ring structures in building block <BB_531>.
|
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_531>.
|
The molecule contains the following groups: Amide, Alcohol, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_531>.
|
**Token:** <BB_531>
**SMILES:** CC(C)(C)OC(=O)N1CC(O)Cc2ccccc21
**Molecular Formula:** C14H19NO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide, Alcohol, Ether
|
|
Provide the SMILES representation for the building block token <BB_532>.
|
Cc1nc(N)n(Cc2ccc(F)cc2)n1
|
|
What is the building block token for the following molecule?
|
Cc1nc(N)n(Cc2ccc(F)cc2)n1
|
<BB_532>
|
What is the molecular formula for <BB_532>?
|
The molecular formula for <BB_532> (Cc1nc(N)n(Cc2ccc(F)cc2)n1) is C10H11FN4.
|
|
Describe the ring structures in building block <BB_532>.
|
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_532>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_532>.
|
**Token:** <BB_532>
**SMILES:** Cc1nc(N)n(Cc2ccc(F)cc2)n1
**Molecular Formula:** C10H11FN4
**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_533>.
|
CCc1ccccc1[C@@H]1C[C@H]1C(=O)O
|
|
What is the building block token for the following molecule?
|
CCc1ccccc1[C@@H]1C[C@H]1C(=O)O
|
<BB_533>
|
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