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What is the molecular formula for <BB_383>?
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The molecular formula for <BB_383> (Cc1cc2[nH]c(=O)c(C(=O)O)cn2n1) is C8H7N3O3.
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Describe the ring structures in building block <BB_383>.
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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_383>.
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The molecule contains the following groups: Carboxylic Acid.
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Provide a comprehensive chemical profile for the building block <BB_383>.
|
**Token:** <BB_383>
**SMILES:** Cc1cc2[nH]c(=O)c(C(=O)O)cn2n1
**Molecular Formula:** C8H7N3O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid
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Provide the SMILES representation for the building block token <BB_384>.
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CCOC(=O)c1nc2ccccn2n1
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What is the building block token for the following molecule?
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CCOC(=O)c1nc2ccccn2n1
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<BB_384>
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What is the molecular formula for <BB_384>?
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The molecular formula for <BB_384> (CCOC(=O)c1nc2ccccn2n1) is C9H9N3O2.
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Describe the ring structures in building block <BB_384>.
|
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_384>.
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The molecule contains the following groups: Ester, Ether.
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Provide a comprehensive chemical profile for the building block <BB_384>.
|
**Token:** <BB_384>
**SMILES:** CCOC(=O)c1nc2ccccn2n1
**Molecular Formula:** C9H9N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ester, Ether
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Provide the SMILES representation for the building block token <BB_385>.
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CNC(C)C(C)c1ccc(Cl)cc1
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What is the building block token for the following molecule?
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CNC(C)C(C)c1ccc(Cl)cc1
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<BB_385>
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What is the molecular formula for <BB_385>?
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The molecular formula for <BB_385> (CNC(C)C(C)c1ccc(Cl)cc1) is C11H16ClN.
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Describe the ring structures in building block <BB_385>.
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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_385>.
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The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_385>.
|
**Token:** <BB_385>
**SMILES:** CNC(C)C(C)c1ccc(Cl)cc1
**Molecular Formula:** C11H16ClN
**Ring System:** The molecule contains 1 ring(s): an aromatic 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_386>.
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CC(C)n1cc(CO)cn1
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What is the building block token for the following molecule?
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CC(C)n1cc(CO)cn1
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<BB_386>
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What is the molecular formula for <BB_386>?
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The molecular formula for <BB_386> (CC(C)n1cc(CO)cn1) is C7H12N2O.
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Describe the ring structures in building block <BB_386>.
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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_386>.
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The molecule contains the following groups: Alcohol.
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Provide a comprehensive chemical profile for the building block <BB_386>.
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**Token:** <BB_386>
**SMILES:** CC(C)n1cc(CO)cn1
**Molecular Formula:** C7H12N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Alcohol
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Provide the SMILES representation for the building block token <BB_387>.
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CN(CC(=O)O)C1CCNCC1.Cl.Cl
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What is the building block token for the following molecule?
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CN(CC(=O)O)C1CCNCC1.Cl.Cl
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<BB_387>
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What is the molecular formula for <BB_387>?
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The molecular formula for <BB_387> (CN(CC(=O)O)C1CCNCC1.Cl.Cl) is C8H18Cl2N2O2.
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Describe the ring structures in building block <BB_387>.
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The molecule contains 1 ring(s): an aliphatic ring of size 6.
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|
List the primary functional groups present in <BB_387>.
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The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_387>.
|
**Token:** <BB_387>
**SMILES:** CN(CC(=O)O)C1CCNCC1.Cl.Cl
**Molecular Formula:** C8H18Cl2N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_388>.
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CC1CCC(F)(F)C(=O)N1
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What is the building block token for the following molecule?
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CC1CCC(F)(F)C(=O)N1
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<BB_388>
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What is the molecular formula for <BB_388>?
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The molecular formula for <BB_388> (CC1CCC(F)(F)C(=O)N1) is C6H9F2NO.
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Describe the ring structures in building block <BB_388>.
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The molecule contains 1 ring(s): an aliphatic ring of size 6.
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List the primary functional groups present in <BB_388>.
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The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_388>.
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**Token:** <BB_388>
**SMILES:** CC1CCC(F)(F)C(=O)N1
**Molecular Formula:** C6H9F2NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_389>.
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N#CC(=CC1CCSC1)C(=O)O
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What is the building block token for the following molecule?
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N#CC(=CC1CCSC1)C(=O)O
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<BB_389>
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What is the molecular formula for <BB_389>?
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The molecular formula for <BB_389> (N#CC(=CC1CCSC1)C(=O)O) is C8H9NO2S.
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Describe the ring structures in building block <BB_389>.
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The molecule contains 1 ring(s): an aliphatic ring of size 5.
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List the primary functional groups present in <BB_389>.
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The molecule contains the following groups: Carboxylic Acid, Sulfide, Nitrile.
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Provide a comprehensive chemical profile for the building block <BB_389>.
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**Token:** <BB_389>
**SMILES:** N#CC(=CC1CCSC1)C(=O)O
**Molecular Formula:** C8H9NO2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Sulfide, Nitrile
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Provide the SMILES representation for the building block token <BB_390>.
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CCCCOc1cc(OC)ccc1C(=O)OC
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What is the building block token for the following molecule?
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CCCCOc1cc(OC)ccc1C(=O)OC
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<BB_390>
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What is the molecular formula for <BB_390>?
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The molecular formula for <BB_390> (CCCCOc1cc(OC)ccc1C(=O)OC) is C13H18O4.
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Describe the ring structures in building block <BB_390>.
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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_390>.
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The molecule contains the following groups: Ester, Ether.
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Provide a comprehensive chemical profile for the building block <BB_390>.
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**Token:** <BB_390>
**SMILES:** CCCCOc1cc(OC)ccc1C(=O)OC
**Molecular Formula:** C13H18O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether
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Provide the SMILES representation for the building block token <BB_391>.
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CNC(=O)n1cnc(C(N)=O)c1N
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What is the building block token for the following molecule?
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CNC(=O)n1cnc(C(N)=O)c1N
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<BB_391>
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What is the molecular formula for <BB_391>?
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The molecular formula for <BB_391> (CNC(=O)n1cnc(C(N)=O)c1N) is C6H9N5O2.
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Describe the ring structures in building block <BB_391>.
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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_391>.
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The molecule contains the following groups: Amine, Amide.
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Provide a comprehensive chemical profile for the building block <BB_391>.
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**Token:** <BB_391>
**SMILES:** CNC(=O)n1cnc(C(N)=O)c1N
**Molecular Formula:** C6H9N5O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Amide
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Provide the SMILES representation for the building block token <BB_392>.
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CNC(=O)c1cc(C#N)cc(C)c1N
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What is the building block token for the following molecule?
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CNC(=O)c1cc(C#N)cc(C)c1N
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<BB_392>
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What is the molecular formula for <BB_392>?
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The molecular formula for <BB_392> (CNC(=O)c1cc(C#N)cc(C)c1N) is C10H11N3O.
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Describe the ring structures in building block <BB_392>.
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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_392>.
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The molecule contains the following groups: Amine, Amide, Nitrile.
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Provide a comprehensive chemical profile for the building block <BB_392>.
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**Token:** <BB_392>
**SMILES:** CNC(=O)c1cc(C#N)cc(C)c1N
**Molecular Formula:** C10H11N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Nitrile
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Provide the SMILES representation for the building block token <BB_393>.
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COc1ccc(F)cc1C(=O)O
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What is the building block token for the following molecule?
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COc1ccc(F)cc1C(=O)O
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<BB_393>
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What is the molecular formula for <BB_393>?
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The molecular formula for <BB_393> (COc1ccc(F)cc1C(=O)O) is C8H7FO3.
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Describe the ring structures in building block <BB_393>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_393>.
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The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_393>.
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**Token:** <BB_393>
**SMILES:** COc1ccc(F)cc1C(=O)O
**Molecular Formula:** C8H7FO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_394>.
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COC(=O)Cc1nc(C(=O)O)cs1
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What is the building block token for the following molecule?
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COC(=O)Cc1nc(C(=O)O)cs1
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<BB_394>
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What is the molecular formula for <BB_394>?
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The molecular formula for <BB_394> (COC(=O)Cc1nc(C(=O)O)cs1) is C7H7NO4S.
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Describe the ring structures in building block <BB_394>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
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|
List the primary functional groups present in <BB_394>.
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The molecule contains the following groups: Carboxylic Acid, Ester, Ether.
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Provide a comprehensive chemical profile for the building block <BB_394>.
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**Token:** <BB_394>
**SMILES:** COC(=O)Cc1nc(C(=O)O)cs1
**Molecular Formula:** C7H7NO4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ester, Ether
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Provide the SMILES representation for the building block token <BB_395>.
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O=Cc1c(Br)cc(F)c(F)c1N1CCCCC1
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What is the building block token for the following molecule?
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O=Cc1c(Br)cc(F)c(F)c1N1CCCCC1
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<BB_395>
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What is the molecular formula for <BB_395>?
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The molecular formula for <BB_395> (O=Cc1c(Br)cc(F)c(F)c1N1CCCCC1) is C12H12BrF2NO.
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Describe the ring structures in building block <BB_395>.
|
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_395>.
|
The molecule contains the following groups: Tertiary Amine, Aldehyde, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_395>.
|
**Token:** <BB_395>
**SMILES:** O=Cc1c(Br)cc(F)c(F)c1N1CCCCC1
**Molecular Formula:** C12H12BrF2NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Aldehyde, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_396>.
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CC(Br)c1cc(Br)ccc1F
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|
What is the building block token for the following molecule?
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CC(Br)c1cc(Br)ccc1F
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<BB_396>
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What is the molecular formula for <BB_396>?
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The molecular formula for <BB_396> (CC(Br)c1cc(Br)ccc1F) is C8H7Br2F.
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Describe the ring structures in building block <BB_396>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_396>.
|
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_396>.
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**Token:** <BB_396>
**SMILES:** CC(Br)c1cc(Br)ccc1F
**Molecular Formula:** C8H7Br2F
**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_397>.
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CON(C)C(=O)CCCl
|
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What is the building block token for the following molecule?
|
CON(C)C(=O)CCCl
|
<BB_397>
|
What is the molecular formula for <BB_397>?
|
The molecular formula for <BB_397> (CON(C)C(=O)CCCl) is C5H10ClNO2.
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|
Describe the ring structures in building block <BB_397>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_397>.
|
The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_397>.
|
**Token:** <BB_397>
**SMILES:** CON(C)C(=O)CCCl
**Molecular Formula:** C5H10ClNO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_398>.
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CNCCCC1CNCCN1C.Cl.Cl.Cl
|
|
What is the building block token for the following molecule?
|
CNCCCC1CNCCN1C.Cl.Cl.Cl
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<BB_398>
|
What is the molecular formula for <BB_398>?
|
The molecular formula for <BB_398> (CNCCCC1CNCCN1C.Cl.Cl.Cl) is C9H24Cl3N3.
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Describe the ring structures in building block <BB_398>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_398>.
|
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_398>.
|
**Token:** <BB_398>
**SMILES:** CNCCCC1CNCCN1C.Cl.Cl.Cl
**Molecular Formula:** C9H24Cl3N3
**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_399>.
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CC(Oc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1
|
|
What is the building block token for the following molecule?
|
CC(Oc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1
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<BB_399>
|
What is the molecular formula for <BB_399>?
|
The molecular formula for <BB_399> (CC(Oc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1) is C14H12BrNO3.
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|
Describe the ring structures in building block <BB_399>.
|
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_399>.
|
The molecule contains the following groups: Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitro.
|
|
Provide a comprehensive chemical profile for the building block <BB_399>.
|
**Token:** <BB_399>
**SMILES:** CC(Oc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1
**Molecular Formula:** C14H12BrNO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitro
|
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