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List the primary functional groups present in <BB_316>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_316>.
|
**Token:** <BB_316>
**SMILES:** O=S([O-])c1cc(F)ccc1Br.[Na+]
**Molecular Formula:** C6H3BrFNaO2S
**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_317>.
|
c1ccc(-c2ccc(C3CCCCN3)cc2)cc1
|
|
What is the building block token for the following molecule?
|
c1ccc(-c2ccc(C3CCCCN3)cc2)cc1
|
<BB_317>
|
What is the molecular formula for <BB_317>?
|
The molecular formula for <BB_317> (c1ccc(-c2ccc(C3CCCCN3)cc2)cc1) is C17H19N.
|
|
Describe the ring structures in building block <BB_317>.
|
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_317>.
|
The molecule contains the following groups: Secondary Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_317>.
|
**Token:** <BB_317>
**SMILES:** c1ccc(-c2ccc(C3CCCCN3)cc2)cc1
**Molecular Formula:** C17H19N
**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
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|
Provide the SMILES representation for the building block token <BB_318>.
|
CC1(CCN)CCCCC1.Cl
|
|
What is the building block token for the following molecule?
|
CC1(CCN)CCCCC1.Cl
|
<BB_318>
|
What is the molecular formula for <BB_318>?
|
The molecular formula for <BB_318> (CC1(CCN)CCCCC1.Cl) is C9H20ClN.
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|
Describe the ring structures in building block <BB_318>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_318>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_318>.
|
**Token:** <BB_318>
**SMILES:** CC1(CCN)CCCCC1.Cl
**Molecular Formula:** C9H20ClN
**Ring System:** The molecule contains 1 ring(s): an aliphatic 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_319>.
|
CCc1ccc(C=O)c(OC)c1
|
|
What is the building block token for the following molecule?
|
CCc1ccc(C=O)c(OC)c1
|
<BB_319>
|
What is the molecular formula for <BB_319>?
|
The molecular formula for <BB_319> (CCc1ccc(C=O)c(OC)c1) is C10H12O2.
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|
Describe the ring structures in building block <BB_319>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_319>.
|
The molecule contains the following groups: Aldehyde, Ether.
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|
Provide a comprehensive chemical profile for the building block <BB_319>.
|
**Token:** <BB_319>
**SMILES:** CCc1ccc(C=O)c(OC)c1
**Molecular Formula:** C10H12O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Ether
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|
Provide the SMILES representation for the building block token <BB_320>.
|
COCCOCCOc1cc(N)ccc1Br
|
|
What is the building block token for the following molecule?
|
COCCOCCOc1cc(N)ccc1Br
|
<BB_320>
|
What is the molecular formula for <BB_320>?
|
The molecular formula for <BB_320> (COCCOCCOc1cc(N)ccc1Br) is C11H16BrNO3.
|
|
Describe the ring structures in building block <BB_320>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_320>.
|
The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_320>.
|
**Token:** <BB_320>
**SMILES:** COCCOCCOc1cc(N)ccc1Br
**Molecular Formula:** C11H16BrNO3
**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_321>.
|
O=C(O)Cc1csc(-c2cccc(Br)c2)n1
|
|
What is the building block token for the following molecule?
|
O=C(O)Cc1csc(-c2cccc(Br)c2)n1
|
<BB_321>
|
What is the molecular formula for <BB_321>?
|
The molecular formula for <BB_321> (O=C(O)Cc1csc(-c2cccc(Br)c2)n1) is C11H8BrNO2S.
|
|
Describe the ring structures in building block <BB_321>.
|
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_321>.
|
The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_321>.
|
**Token:** <BB_321>
**SMILES:** O=C(O)Cc1csc(-c2cccc(Br)c2)n1
**Molecular Formula:** C11H8BrNO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_322>.
|
Oc1cccc(F)c1I
|
|
What is the building block token for the following molecule?
|
Oc1cccc(F)c1I
|
<BB_322>
|
What is the molecular formula for <BB_322>?
|
The molecular formula for <BB_322> (Oc1cccc(F)c1I) is C6H4FIO.
|
|
Describe the ring structures in building block <BB_322>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_322>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_322>.
|
**Token:** <BB_322>
**SMILES:** Oc1cccc(F)c1I
**Molecular Formula:** C6H4FIO
**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_323>.
|
Cl.OC1CCN(Cc2ccc3c(c2)CCC3)C1
|
|
What is the building block token for the following molecule?
|
Cl.OC1CCN(Cc2ccc3c(c2)CCC3)C1
|
<BB_323>
|
What is the molecular formula for <BB_323>?
|
The molecular formula for <BB_323> (Cl.OC1CCN(Cc2ccc3c(c2)CCC3)C1) is C14H20ClNO.
|
|
Describe the ring structures in building block <BB_323>.
|
The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_323>.
|
The molecule contains the following groups: Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_323>.
|
**Token:** <BB_323>
**SMILES:** Cl.OC1CCN(Cc2ccc3c(c2)CCC3)C1
**Molecular Formula:** C14H20ClNO
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_324>.
|
C=C(CC#N)C(=O)OC
|
|
What is the building block token for the following molecule?
|
C=C(CC#N)C(=O)OC
|
<BB_324>
|
What is the molecular formula for <BB_324>?
|
The molecular formula for <BB_324> (C=C(CC#N)C(=O)OC) is C6H7NO2.
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|
Describe the ring structures in building block <BB_324>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_324>.
|
The molecule contains the following groups: Ester, Ether, Nitrile.
|
|
Provide a comprehensive chemical profile for the building block <BB_324>.
|
**Token:** <BB_324>
**SMILES:** C=C(CC#N)C(=O)OC
**Molecular Formula:** C6H7NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ether, Nitrile
|
|
Provide the SMILES representation for the building block token <BB_325>.
|
Cl.NCc1cc2cc(Br)cnc2o1
|
|
What is the building block token for the following molecule?
|
Cl.NCc1cc2cc(Br)cnc2o1
|
<BB_325>
|
What is the molecular formula for <BB_325>?
|
The molecular formula for <BB_325> (Cl.NCc1cc2cc(Br)cnc2o1) is C8H8BrClN2O.
|
|
Describe the ring structures in building block <BB_325>.
|
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_325>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_325>.
|
**Token:** <BB_325>
**SMILES:** Cl.NCc1cc2cc(Br)cnc2o1
**Molecular Formula:** C8H8BrClN2O
**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_326>.
|
COC(=O)CC(C[N+](=O)[O-])C1CCOCC1
|
|
What is the building block token for the following molecule?
|
COC(=O)CC(C[N+](=O)[O-])C1CCOCC1
|
<BB_326>
|
What is the molecular formula for <BB_326>?
|
The molecular formula for <BB_326> (COC(=O)CC(C[N+](=O)[O-])C1CCOCC1) is C10H17NO5.
|
|
Describe the ring structures in building block <BB_326>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_326>.
|
The molecule contains the following groups: Tertiary Amine, Ester, Ether, Nitro.
|
|
Provide a comprehensive chemical profile for the building block <BB_326>.
|
**Token:** <BB_326>
**SMILES:** COC(=O)CC(C[N+](=O)[O-])C1CCOCC1
**Molecular Formula:** C10H17NO5
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ester, Ether, Nitro
|
|
Provide the SMILES representation for the building block token <BB_327>.
|
CNCC1COCCO1.Cl
|
|
What is the building block token for the following molecule?
|
CNCC1COCCO1.Cl
|
<BB_327>
|
What is the molecular formula for <BB_327>?
|
The molecular formula for <BB_327> (CNCC1COCCO1.Cl) is C6H14ClNO2.
|
|
Describe the ring structures in building block <BB_327>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_327>.
|
The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_327>.
|
**Token:** <BB_327>
**SMILES:** CNCC1COCCO1.Cl
**Molecular Formula:** C6H14ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_328>.
|
Cc1cn(C2CCNCC2)nn1.Cl.Cl
|
|
What is the building block token for the following molecule?
|
Cc1cn(C2CCNCC2)nn1.Cl.Cl
|
<BB_328>
|
What is the molecular formula for <BB_328>?
|
The molecular formula for <BB_328> (Cc1cn(C2CCNCC2)nn1.Cl.Cl) is C8H16Cl2N4.
|
|
Describe the ring structures in building block <BB_328>.
|
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_328>.
|
The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_328>.
|
**Token:** <BB_328>
**SMILES:** Cc1cn(C2CCNCC2)nn1.Cl.Cl
**Molecular Formula:** C8H16Cl2N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_329>.
|
C=CC(=O)NCc1ccc2c(c1)CCS2(=O)=O
|
|
What is the building block token for the following molecule?
|
C=CC(=O)NCc1ccc2c(c1)CCS2(=O)=O
|
<BB_329>
|
What is the molecular formula for <BB_329>?
|
The molecular formula for <BB_329> (C=CC(=O)NCc1ccc2c(c1)CCS2(=O)=O) is C12H13NO3S.
|
|
Describe the ring structures in building block <BB_329>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_329>.
|
The molecule contains the following groups: Amide.
|
|
Provide a comprehensive chemical profile for the building block <BB_329>.
|
**Token:** <BB_329>
**SMILES:** C=CC(=O)NCc1ccc2c(c1)CCS2(=O)=O
**Molecular Formula:** C12H13NO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amide
|
|
Provide the SMILES representation for the building block token <BB_330>.
|
CNC1CCCN(CC(C)C(=O)O)C1.Cl.Cl
|
|
What is the building block token for the following molecule?
|
CNC1CCCN(CC(C)C(=O)O)C1.Cl.Cl
|
<BB_330>
|
What is the molecular formula for <BB_330>?
|
The molecular formula for <BB_330> (CNC1CCCN(CC(C)C(=O)O)C1.Cl.Cl) is C10H22Cl2N2O2.
|
|
Describe the ring structures in building block <BB_330>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_330>.
|
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_330>.
|
**Token:** <BB_330>
**SMILES:** CNC1CCCN(CC(C)C(=O)O)C1.Cl.Cl
**Molecular Formula:** C10H22Cl2N2O2
**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)
|
|
Provide the SMILES representation for the building block token <BB_331>.
|
CCOC(=O)c1noc(C(C)N)n1.Cl
|
|
What is the building block token for the following molecule?
|
CCOC(=O)c1noc(C(C)N)n1.Cl
|
<BB_331>
|
What is the molecular formula for <BB_331>?
|
The molecular formula for <BB_331> (CCOC(=O)c1noc(C(C)N)n1.Cl) is C7H12ClN3O3.
|
|
Describe the ring structures in building block <BB_331>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_331>.
|
The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_331>.
|
**Token:** <BB_331>
**SMILES:** CCOC(=O)c1noc(C(C)N)n1.Cl
**Molecular Formula:** C7H12ClN3O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_332>.
|
CC(=O)C1(C(F)(F)F)CC1
|
|
What is the building block token for the following molecule?
|
CC(=O)C1(C(F)(F)F)CC1
|
<BB_332>
|
What is the molecular formula for <BB_332>?
|
The molecular formula for <BB_332> (CC(=O)C1(C(F)(F)F)CC1) is C6H7F3O.
|
|
Describe the ring structures in building block <BB_332>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 3.
|
|
List the primary functional groups present in <BB_332>.
|
The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_332>.
|
**Token:** <BB_332>
**SMILES:** CC(=O)C1(C(F)(F)F)CC1
**Molecular Formula:** C6H7F3O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_333>.
|
C=CC1(CO)CCC1
|
|
What is the building block token for the following molecule?
|
C=CC1(CO)CCC1
|
<BB_333>
|
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