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List the primary functional groups present in <BB_216>.
|
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_216>.
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**Token:** <BB_216>
**SMILES:** Nc1nc2cc(Br)cc(Cl)c2o1
**Molecular Formula:** C7H4BrClN2O
**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)
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Provide the SMILES representation for the building block token <BB_217>.
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COc1ccc(C2(O)CCC3(CC2)OCCO3)cc1
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What is the building block token for the following molecule?
|
COc1ccc(C2(O)CCC3(CC2)OCCO3)cc1
|
<BB_217>
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What is the molecular formula for <BB_217>?
|
The molecular formula for <BB_217> (COc1ccc(C2(O)CCC3(CC2)OCCO3)cc1) is C15H20O4.
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|
Describe the ring structures in building block <BB_217>.
|
The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 5.
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|
List the primary functional groups present in <BB_217>.
|
The molecule contains the following groups: Alcohol, Ether.
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Provide a comprehensive chemical profile for the building block <BB_217>.
|
**Token:** <BB_217>
**SMILES:** COc1ccc(C2(O)CCC3(CC2)OCCO3)cc1
**Molecular Formula:** C15H20O4
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Alcohol, Ether
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Provide the SMILES representation for the building block token <BB_218>.
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N#Cc1ccc(I)cc1Br
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|
What is the building block token for the following molecule?
|
N#Cc1ccc(I)cc1Br
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<BB_218>
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What is the molecular formula for <BB_218>?
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The molecular formula for <BB_218> (N#Cc1ccc(I)cc1Br) is C7H3BrIN.
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Describe the ring structures in building block <BB_218>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_218>.
|
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_218>.
|
**Token:** <BB_218>
**SMILES:** N#Cc1ccc(I)cc1Br
**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_219>.
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O=C(O)CC1CCC2COCCC2C1
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|
What is the building block token for the following molecule?
|
O=C(O)CC1CCC2COCCC2C1
|
<BB_219>
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What is the molecular formula for <BB_219>?
|
The molecular formula for <BB_219> (O=C(O)CC1CCC2COCCC2C1) is C11H18O3.
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Describe the ring structures in building block <BB_219>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
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|
List the primary functional groups present in <BB_219>.
|
The molecule contains the following groups: Carboxylic Acid, Ether.
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Provide a comprehensive chemical profile for the building block <BB_219>.
|
**Token:** <BB_219>
**SMILES:** O=C(O)CC1CCC2COCCC2C1
**Molecular Formula:** C11H18O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether
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|
Provide the SMILES representation for the building block token <BB_220>.
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CSc1nccnc1C(=O)O
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|
What is the building block token for the following molecule?
|
CSc1nccnc1C(=O)O
|
<BB_220>
|
What is the molecular formula for <BB_220>?
|
The molecular formula for <BB_220> (CSc1nccnc1C(=O)O) is C6H6N2O2S.
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Describe the ring structures in building block <BB_220>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_220>.
|
The molecule contains the following groups: Carboxylic Acid, Sulfide.
|
|
Provide a comprehensive chemical profile for the building block <BB_220>.
|
**Token:** <BB_220>
**SMILES:** CSc1nccnc1C(=O)O
**Molecular Formula:** C6H6N2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Sulfide
|
|
Provide the SMILES representation for the building block token <BB_221>.
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Cl.N#Cc1ccc(C2CC(N)C2)cc1
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|
What is the building block token for the following molecule?
|
Cl.N#Cc1ccc(C2CC(N)C2)cc1
|
<BB_221>
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What is the molecular formula for <BB_221>?
|
The molecular formula for <BB_221> (Cl.N#Cc1ccc(C2CC(N)C2)cc1) is C11H13ClN2.
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Describe the ring structures in building block <BB_221>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
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|
List the primary functional groups present in <BB_221>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Nitrile.
|
|
Provide a comprehensive chemical profile for the building block <BB_221>.
|
**Token:** <BB_221>
**SMILES:** Cl.N#Cc1ccc(C2CC(N)C2)cc1
**Molecular Formula:** C11H13ClN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I), Nitrile
|
|
Provide the SMILES representation for the building block token <BB_222>.
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COCCOc1ccc(C(C)=O)cc1
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|
What is the building block token for the following molecule?
|
COCCOc1ccc(C(C)=O)cc1
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<BB_222>
|
What is the molecular formula for <BB_222>?
|
The molecular formula for <BB_222> (COCCOc1ccc(C(C)=O)cc1) is C11H14O3.
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Describe the ring structures in building block <BB_222>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_222>.
|
The molecule contains the following groups: Ketone, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_222>.
|
**Token:** <BB_222>
**SMILES:** COCCOc1ccc(C(C)=O)cc1
**Molecular Formula:** C11H14O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Ether
|
|
Provide the SMILES representation for the building block token <BB_223>.
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CC(C)(C)OC(=O)c1csc(S(=O)(=O)Cl)c1
|
|
What is the building block token for the following molecule?
|
CC(C)(C)OC(=O)c1csc(S(=O)(=O)Cl)c1
|
<BB_223>
|
What is the molecular formula for <BB_223>?
|
The molecular formula for <BB_223> (CC(C)(C)OC(=O)c1csc(S(=O)(=O)Cl)c1) is C9H11ClO4S2.
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Describe the ring structures in building block <BB_223>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_223>.
|
The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_223>.
|
**Token:** <BB_223>
**SMILES:** CC(C)(C)OC(=O)c1csc(S(=O)(=O)Cl)c1
**Molecular Formula:** C9H11ClO4S2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_224>.
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Cc1ccc(F)c(CBr)c1
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|
What is the building block token for the following molecule?
|
Cc1ccc(F)c(CBr)c1
|
<BB_224>
|
What is the molecular formula for <BB_224>?
|
The molecular formula for <BB_224> (Cc1ccc(F)c(CBr)c1) is C8H8BrF.
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Describe the ring structures in building block <BB_224>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_224>.
|
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_224>.
|
**Token:** <BB_224>
**SMILES:** Cc1ccc(F)c(CBr)c1
**Molecular Formula:** C8H8BrF
**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_225>.
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CNC(=O)c1nc2ccccc2c(=O)[nH]1
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|
What is the building block token for the following molecule?
|
CNC(=O)c1nc2ccccc2c(=O)[nH]1
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<BB_225>
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What is the molecular formula for <BB_225>?
|
The molecular formula for <BB_225> (CNC(=O)c1nc2ccccc2c(=O)[nH]1) is C10H9N3O2.
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|
Describe the ring structures in building block <BB_225>.
|
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_225>.
|
The molecule contains the following groups: Amide.
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Provide a comprehensive chemical profile for the building block <BB_225>.
|
**Token:** <BB_225>
**SMILES:** CNC(=O)c1nc2ccccc2c(=O)[nH]1
**Molecular Formula:** C10H9N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide
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Provide the SMILES representation for the building block token <BB_226>.
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Cc1cc(OCc2ccccn2)ccc1N
|
|
What is the building block token for the following molecule?
|
Cc1cc(OCc2ccccn2)ccc1N
|
<BB_226>
|
What is the molecular formula for <BB_226>?
|
The molecular formula for <BB_226> (Cc1cc(OCc2ccccn2)ccc1N) is C13H14N2O.
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|
Describe the ring structures in building block <BB_226>.
|
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_226>.
|
The molecule contains the following groups: Amine, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_226>.
|
**Token:** <BB_226>
**SMILES:** Cc1cc(OCc2ccccn2)ccc1N
**Molecular Formula:** C13H14N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Ether
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|
Provide the SMILES representation for the building block token <BB_227>.
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COC(=O)C12CC(C(=O)O)(C1)OC2(C)C
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|
What is the building block token for the following molecule?
|
COC(=O)C12CC(C(=O)O)(C1)OC2(C)C
|
<BB_227>
|
What is the molecular formula for <BB_227>?
|
The molecular formula for <BB_227> (COC(=O)C12CC(C(=O)O)(C1)OC2(C)C) is C10H14O5.
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|
Describe the ring structures in building block <BB_227>.
|
The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_227>.
|
The molecule contains the following groups: Carboxylic Acid, Ester, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_227>.
|
**Token:** <BB_227>
**SMILES:** COC(=O)C12CC(C(=O)O)(C1)OC2(C)C
**Molecular Formula:** C10H14O5
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ester, Ether
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|
Provide the SMILES representation for the building block token <BB_228>.
|
CC1(C(=O)O)Cc2ccc(C(F)(F)F)cc21
|
|
What is the building block token for the following molecule?
|
CC1(C(=O)O)Cc2ccc(C(F)(F)F)cc21
|
<BB_228>
|
What is the molecular formula for <BB_228>?
|
The molecular formula for <BB_228> (CC1(C(=O)O)Cc2ccc(C(F)(F)F)cc21) is C11H9F3O2.
|
|
Describe the ring structures in building block <BB_228>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_228>.
|
The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_228>.
|
**Token:** <BB_228>
**SMILES:** CC1(C(=O)O)Cc2ccc(C(F)(F)F)cc21
**Molecular Formula:** C11H9F3O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_229>.
|
CC(C)(C=O)N1CCOCC1
|
|
What is the building block token for the following molecule?
|
CC(C)(C=O)N1CCOCC1
|
<BB_229>
|
What is the molecular formula for <BB_229>?
|
The molecular formula for <BB_229> (CC(C)(C=O)N1CCOCC1) is C8H15NO2.
|
|
Describe the ring structures in building block <BB_229>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_229>.
|
The molecule contains the following groups: Tertiary Amine, Aldehyde, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_229>.
|
**Token:** <BB_229>
**SMILES:** CC(C)(C=O)N1CCOCC1
**Molecular Formula:** C8H15NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Aldehyde, Ether
|
|
Provide the SMILES representation for the building block token <BB_230>.
|
COc1ccc(N)c(I)c1F.Cl
|
|
What is the building block token for the following molecule?
|
COc1ccc(N)c(I)c1F.Cl
|
<BB_230>
|
What is the molecular formula for <BB_230>?
|
The molecular formula for <BB_230> (COc1ccc(N)c(I)c1F.Cl) is C7H8ClFINO.
|
|
Describe the ring structures in building block <BB_230>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_230>.
|
The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_230>.
|
**Token:** <BB_230>
**SMILES:** COc1ccc(N)c(I)c1F.Cl
**Molecular Formula:** C7H8ClFINO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_231>.
|
Cc1cc(F)ncc1C1CC1
|
|
What is the building block token for the following molecule?
|
Cc1cc(F)ncc1C1CC1
|
<BB_231>
|
What is the molecular formula for <BB_231>?
|
The molecular formula for <BB_231> (Cc1cc(F)ncc1C1CC1) is C9H10FN.
|
|
Describe the ring structures in building block <BB_231>.
|
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_231>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_231>.
|
**Token:** <BB_231>
**SMILES:** Cc1cc(F)ncc1C1CC1
**Molecular Formula:** C9H10FN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_232>.
|
O=C(Nc1cccc(CO)c1)c1ccco1
|
|
What is the building block token for the following molecule?
|
O=C(Nc1cccc(CO)c1)c1ccco1
|
<BB_232>
|
What is the molecular formula for <BB_232>?
|
The molecular formula for <BB_232> (O=C(Nc1cccc(CO)c1)c1ccco1) is C12H11NO3.
|
|
Describe the ring structures in building block <BB_232>.
|
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_232>.
|
The molecule contains the following groups: Amide, Alcohol.
|
|
Provide a comprehensive chemical profile for the building block <BB_232>.
|
**Token:** <BB_232>
**SMILES:** O=C(Nc1cccc(CO)c1)c1ccco1
**Molecular Formula:** C12H11NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amide, Alcohol
|
|
Provide the SMILES representation for the building block token <BB_233>.
|
Cl.NCC[C@H]1CCC(=O)N1
|
|
What is the building block token for the following molecule?
|
Cl.NCC[C@H]1CCC(=O)N1
|
<BB_233>
|
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