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What is the molecular formula for <BB_583>?
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The molecular formula for <BB_583> (Cn1ncc2nc3c(c(Cl)c21)CCCC3) is C11H12ClN3.
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Describe the ring structures in building block <BB_583>.
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The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 6.
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|
List the primary functional groups present in <BB_583>.
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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_583>.
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**Token:** <BB_583>
**SMILES:** Cn1ncc2nc3c(c(Cl)c21)CCCC3
**Molecular Formula:** C11H12ClN3
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aliphatic 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_584>.
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Brc1c(NC2=NCCN2)ccc2nccnc12
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What is the building block token for the following molecule?
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Brc1c(NC2=NCCN2)ccc2nccnc12
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<BB_584>
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What is the molecular formula for <BB_584>?
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The molecular formula for <BB_584> (Brc1c(NC2=NCCN2)ccc2nccnc12) is C11H10BrN5.
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Describe the ring structures in building block <BB_584>.
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The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aromatic ring of size 6.
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List the primary functional groups present in <BB_584>.
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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_584>.
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**Token:** <BB_584>
**SMILES:** Brc1c(NC2=NCCN2)ccc2nccnc12
**Molecular Formula:** C11H10BrN5
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, 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_585>.
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NCCN1CCC(OCC(F)F)CC1
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What is the building block token for the following molecule?
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NCCN1CCC(OCC(F)F)CC1
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<BB_585>
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What is the molecular formula for <BB_585>?
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The molecular formula for <BB_585> (NCCN1CCC(OCC(F)F)CC1) is C9H18F2N2O.
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Describe the ring structures in building block <BB_585>.
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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_585>.
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The molecule contains the following groups: Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_585>.
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**Token:** <BB_585>
**SMILES:** NCCN1CCC(OCC(F)F)CC1
**Molecular Formula:** C9H18F2N2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_586>.
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CNCC1COc2ccccc2O1
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What is the building block token for the following molecule?
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CNCC1COc2ccccc2O1
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<BB_586>
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What is the molecular formula for <BB_586>?
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The molecular formula for <BB_586> (CNCC1COc2ccccc2O1) is C10H13NO2.
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Describe the ring structures in building block <BB_586>.
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The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
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List the primary functional groups present in <BB_586>.
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The molecule contains the following groups: Secondary Amine, Ether.
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Provide a comprehensive chemical profile for the building block <BB_586>.
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**Token:** <BB_586>
**SMILES:** CNCC1COc2ccccc2O1
**Molecular Formula:** C10H13NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether
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Provide the SMILES representation for the building block token <BB_587>.
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O=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2o1
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What is the building block token for the following molecule?
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O=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2o1
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<BB_587>
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What is the molecular formula for <BB_587>?
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The molecular formula for <BB_587> (O=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2o1) is C7H3ClN2O4.
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Describe the ring structures in building block <BB_587>.
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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_587>.
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The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro.
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Provide a comprehensive chemical profile for the building block <BB_587>.
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**Token:** <BB_587>
**SMILES:** O=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2o1
**Molecular Formula:** C7H3ClN2O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro
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Provide the SMILES representation for the building block token <BB_588>.
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Cc1cc(N)cc2cc[nH]c12
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What is the building block token for the following molecule?
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Cc1cc(N)cc2cc[nH]c12
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<BB_588>
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What is the molecular formula for <BB_588>?
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The molecular formula for <BB_588> (Cc1cc(N)cc2cc[nH]c12) is C9H10N2.
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Describe the ring structures in building block <BB_588>.
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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_588>.
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The molecule contains the following groups: Amine.
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Provide a comprehensive chemical profile for the building block <BB_588>.
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**Token:** <BB_588>
**SMILES:** Cc1cc(N)cc2cc[nH]c12
**Molecular Formula:** C9H10N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine
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Provide the SMILES representation for the building block token <BB_589>.
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CC(=O)O.CC(C)(NS(C)(=O)=O)C(=N)N
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What is the building block token for the following molecule?
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CC(=O)O.CC(C)(NS(C)(=O)=O)C(=N)N
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<BB_589>
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What is the molecular formula for <BB_589>?
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The molecular formula for <BB_589> (CC(=O)O.CC(C)(NS(C)(=O)=O)C(=N)N) is C7H17N3O4S.
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Describe the ring structures in building block <BB_589>.
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The molecule is acyclic (contains no rings).
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List the primary functional groups present in <BB_589>.
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The molecule contains the following groups: Carboxylic Acid, Amine, Secondary Amine, Sulfonamide.
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Provide a comprehensive chemical profile for the building block <BB_589>.
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**Token:** <BB_589>
**SMILES:** CC(=O)O.CC(C)(NS(C)(=O)=O)C(=N)N
**Molecular Formula:** C7H17N3O4S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amine, Secondary Amine, Sulfonamide
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Provide the SMILES representation for the building block token <BB_590>.
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O=C(O)c1cc(Br)cc2cc[nH]c12
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What is the building block token for the following molecule?
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O=C(O)c1cc(Br)cc2cc[nH]c12
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<BB_590>
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What is the molecular formula for <BB_590>?
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The molecular formula for <BB_590> (O=C(O)c1cc(Br)cc2cc[nH]c12) is C9H6BrNO2.
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Describe the ring structures in building block <BB_590>.
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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_590>.
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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_590>.
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**Token:** <BB_590>
**SMILES:** O=C(O)c1cc(Br)cc2cc[nH]c12
**Molecular Formula:** C9H6BrNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, 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_591>.
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O=C(O)c1coc2c1C(=O)NCC2
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What is the building block token for the following molecule?
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O=C(O)c1coc2c1C(=O)NCC2
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<BB_591>
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What is the molecular formula for <BB_591>?
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The molecular formula for <BB_591> (O=C(O)c1coc2c1C(=O)NCC2) is C8H7NO4.
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Describe the ring structures in building block <BB_591>.
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The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
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List the primary functional groups present in <BB_591>.
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The molecule contains the following groups: Carboxylic Acid, Amide.
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Provide a comprehensive chemical profile for the building block <BB_591>.
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**Token:** <BB_591>
**SMILES:** O=C(O)c1coc2c1C(=O)NCC2
**Molecular Formula:** C8H7NO4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide
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Provide the SMILES representation for the building block token <BB_592>.
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Nc1c(C(F)(F)F)nc2cnccn12
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What is the building block token for the following molecule?
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Nc1c(C(F)(F)F)nc2cnccn12
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<BB_592>
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What is the molecular formula for <BB_592>?
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The molecular formula for <BB_592> (Nc1c(C(F)(F)F)nc2cnccn12) is C7H5F3N4.
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Describe the ring structures in building block <BB_592>.
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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_592>.
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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_592>.
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**Token:** <BB_592>
**SMILES:** Nc1c(C(F)(F)F)nc2cnccn12
**Molecular Formula:** C7H5F3N4
**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_593>.
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NNC(=O)Cc1ccc2ccccc2c1
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What is the building block token for the following molecule?
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NNC(=O)Cc1ccc2ccccc2c1
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<BB_593>
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What is the molecular formula for <BB_593>?
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The molecular formula for <BB_593> (NNC(=O)Cc1ccc2ccccc2c1) is C12H12N2O.
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Describe the ring structures in building block <BB_593>.
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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_593>.
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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_593>.
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**Token:** <BB_593>
**SMILES:** NNC(=O)Cc1ccc2ccccc2c1
**Molecular Formula:** C12H12N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Amide
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Provide the SMILES representation for the building block token <BB_594>.
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C[C@H]1CNCO1
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What is the building block token for the following molecule?
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C[C@H]1CNCO1
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<BB_594>
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What is the molecular formula for <BB_594>?
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The molecular formula for <BB_594> (C[C@H]1CNCO1) is C4H9NO.
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Describe the ring structures in building block <BB_594>.
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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_594>.
|
The molecule contains the following groups: Secondary Amine, Ether.
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Provide a comprehensive chemical profile for the building block <BB_594>.
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**Token:** <BB_594>
**SMILES:** C[C@H]1CNCO1
**Molecular Formula:** C4H9NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ether
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Provide the SMILES representation for the building block token <BB_595>.
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CNCc1cc(F)c(F)c(F)c1
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|
What is the building block token for the following molecule?
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CNCc1cc(F)c(F)c(F)c1
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<BB_595>
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What is the molecular formula for <BB_595>?
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The molecular formula for <BB_595> (CNCc1cc(F)c(F)c(F)c1) is C8H8F3N.
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Describe the ring structures in building block <BB_595>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_595>.
|
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_595>.
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**Token:** <BB_595>
**SMILES:** CNCc1cc(F)c(F)c(F)c1
**Molecular Formula:** C8H8F3N
**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_596>.
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COC(=O)C(C)(N)c1cc(F)ccc1F.Cl
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What is the building block token for the following molecule?
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COC(=O)C(C)(N)c1cc(F)ccc1F.Cl
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<BB_596>
|
What is the molecular formula for <BB_596>?
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The molecular formula for <BB_596> (COC(=O)C(C)(N)c1cc(F)ccc1F.Cl) is C10H12ClF2NO2.
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Describe the ring structures in building block <BB_596>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_596>.
|
The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_596>.
|
**Token:** <BB_596>
**SMILES:** COC(=O)C(C)(N)c1cc(F)ccc1F.Cl
**Molecular Formula:** C10H12ClF2NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_597>.
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COc1ccc(Cl)nc1CCl
|
|
What is the building block token for the following molecule?
|
COc1ccc(Cl)nc1CCl
|
<BB_597>
|
What is the molecular formula for <BB_597>?
|
The molecular formula for <BB_597> (COc1ccc(Cl)nc1CCl) is C7H7Cl2NO.
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Describe the ring structures in building block <BB_597>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_597>.
|
The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_597>.
|
**Token:** <BB_597>
**SMILES:** COc1ccc(Cl)nc1CCl
**Molecular Formula:** C7H7Cl2NO
**Ring System:** The molecule contains 1 ring(s): an aromatic 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_598>.
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CC(C)(C#N)c1nnn[nH]1
|
|
What is the building block token for the following molecule?
|
CC(C)(C#N)c1nnn[nH]1
|
<BB_598>
|
What is the molecular formula for <BB_598>?
|
The molecular formula for <BB_598> (CC(C)(C#N)c1nnn[nH]1) is C5H7N5.
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Describe the ring structures in building block <BB_598>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_598>.
|
The molecule contains the following groups: Nitrile.
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Provide a comprehensive chemical profile for the building block <BB_598>.
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**Token:** <BB_598>
**SMILES:** CC(C)(C#N)c1nnn[nH]1
**Molecular Formula:** C5H7N5
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Nitrile
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|
Provide the SMILES representation for the building block token <BB_599>.
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CC(C)(C)OC(=O)N1CCC2(CO2)CC12CC2
|
|
What is the building block token for the following molecule?
|
CC(C)(C)OC(=O)N1CCC2(CO2)CC12CC2
|
<BB_599>
|
What is the molecular formula for <BB_599>?
|
The molecular formula for <BB_599> (CC(C)(C)OC(=O)N1CCC2(CO2)CC12CC2) is C13H21NO3.
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|
Describe the ring structures in building block <BB_599>.
|
The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3, an aliphatic ring of size 3.
|
|
List the primary functional groups present in <BB_599>.
|
The molecule contains the following groups: Amide, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_599>.
|
**Token:** <BB_599>
**SMILES:** CC(C)(C)OC(=O)N1CCC2(CO2)CC12CC2
**Molecular Formula:** C13H21NO3
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3, an aliphatic ring of size 3.
**Functional Groups:** Amide, Ether
|
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