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List the primary functional groups present in <BB_366>.
|
The molecule contains the following groups: Secondary Amine, Ketone, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_366>.
|
**Token:** <BB_366>
**SMILES:** Cl.O=C(c1ccccc1)C1CCCN1
**Molecular Formula:** C11H14ClNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ketone, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_367>.
|
O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2C1
|
|
What is the building block token for the following molecule?
|
O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2C1
|
<BB_367>
|
What is the molecular formula for <BB_367>?
|
The molecular formula for <BB_367> (O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2C1) is C7H10O3S.
|
|
Describe the ring structures in building block <BB_367>.
|
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_367>.
|
The molecule contains the following groups: Ketone.
|
|
Provide a comprehensive chemical profile for the building block <BB_367>.
|
**Token:** <BB_367>
**SMILES:** O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2C1
**Molecular Formula:** C7H10O3S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Ketone
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|
Provide the SMILES representation for the building block token <BB_368>.
|
CCc1ccc2occ(C=O)c(=O)c2c1
|
|
What is the building block token for the following molecule?
|
CCc1ccc2occ(C=O)c(=O)c2c1
|
<BB_368>
|
What is the molecular formula for <BB_368>?
|
The molecular formula for <BB_368> (CCc1ccc2occ(C=O)c(=O)c2c1) is C12H10O3.
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|
Describe the ring structures in building block <BB_368>.
|
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_368>.
|
The molecule contains the following groups: Aldehyde.
|
|
Provide a comprehensive chemical profile for the building block <BB_368>.
|
**Token:** <BB_368>
**SMILES:** CCc1ccc2occ(C=O)c(=O)c2c1
**Molecular Formula:** C12H10O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Aldehyde
|
|
Provide the SMILES representation for the building block token <BB_369>.
|
Ic1ccc(-c2ccccc2)nc1
|
|
What is the building block token for the following molecule?
|
Ic1ccc(-c2ccccc2)nc1
|
<BB_369>
|
What is the molecular formula for <BB_369>?
|
The molecular formula for <BB_369> (Ic1ccc(-c2ccccc2)nc1) is C11H8IN.
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|
Describe the ring structures in building block <BB_369>.
|
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_369>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_369>.
|
**Token:** <BB_369>
**SMILES:** Ic1ccc(-c2ccccc2)nc1
**Molecular Formula:** C11H8IN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, 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_370>.
|
CC(=O)N1CCC(C(=O)Cl)CC1
|
|
What is the building block token for the following molecule?
|
CC(=O)N1CCC(C(=O)Cl)CC1
|
<BB_370>
|
What is the molecular formula for <BB_370>?
|
The molecular formula for <BB_370> (CC(=O)N1CCC(C(=O)Cl)CC1) is C8H12ClNO2.
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|
Describe the ring structures in building block <BB_370>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_370>.
|
The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_370>.
|
**Token:** <BB_370>
**SMILES:** CC(=O)N1CCC(C(=O)Cl)CC1
**Molecular Formula:** C8H12ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_371>.
|
CNC(C(=O)O)c1ccccc1C(F)(F)F
|
|
What is the building block token for the following molecule?
|
CNC(C(=O)O)c1ccccc1C(F)(F)F
|
<BB_371>
|
What is the molecular formula for <BB_371>?
|
The molecular formula for <BB_371> (CNC(C(=O)O)c1ccccc1C(F)(F)F) is C10H10F3NO2.
|
|
Describe the ring structures in building block <BB_371>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_371>.
|
The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_371>.
|
**Token:** <BB_371>
**SMILES:** CNC(C(=O)O)c1ccccc1C(F)(F)F
**Molecular Formula:** C10H10F3NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_372>.
|
Cl.Cl.c1cncc([C@@H]2CCCN2)c1
|
|
What is the building block token for the following molecule?
|
Cl.Cl.c1cncc([C@@H]2CCCN2)c1
|
<BB_372>
|
What is the molecular formula for <BB_372>?
|
The molecular formula for <BB_372> (Cl.Cl.c1cncc([C@@H]2CCCN2)c1) is C9H14Cl2N2.
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|
Describe the ring structures in building block <BB_372>.
|
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_372>.
|
The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_372>.
|
**Token:** <BB_372>
**SMILES:** Cl.Cl.c1cncc([C@@H]2CCCN2)c1
**Molecular Formula:** C9H14Cl2N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_373>.
|
C#CCOc1ccc(C=O)cc1C(=O)OC
|
|
What is the building block token for the following molecule?
|
C#CCOc1ccc(C=O)cc1C(=O)OC
|
<BB_373>
|
What is the molecular formula for <BB_373>?
|
The molecular formula for <BB_373> (C#CCOc1ccc(C=O)cc1C(=O)OC) is C12H10O4.
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|
Describe the ring structures in building block <BB_373>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_373>.
|
The molecule contains the following groups: Ester, Aldehyde, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_373>.
|
**Token:** <BB_373>
**SMILES:** C#CCOc1ccc(C=O)cc1C(=O)OC
**Molecular Formula:** C12H10O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Aldehyde, Ether
|
|
Provide the SMILES representation for the building block token <BB_374>.
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N#Cc1c(F)ccc(F)c1F
|
|
What is the building block token for the following molecule?
|
N#Cc1c(F)ccc(F)c1F
|
<BB_374>
|
What is the molecular formula for <BB_374>?
|
The molecular formula for <BB_374> (N#Cc1c(F)ccc(F)c1F) is C7H2F3N.
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|
Describe the ring structures in building block <BB_374>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_374>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile.
|
|
Provide a comprehensive chemical profile for the building block <BB_374>.
|
**Token:** <BB_374>
**SMILES:** N#Cc1c(F)ccc(F)c1F
**Molecular Formula:** C7H2F3N
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile
|
|
Provide the SMILES representation for the building block token <BB_375>.
|
CC1(C)CC(CO)CCO1
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|
What is the building block token for the following molecule?
|
CC1(C)CC(CO)CCO1
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<BB_375>
|
What is the molecular formula for <BB_375>?
|
The molecular formula for <BB_375> (CC1(C)CC(CO)CCO1) is C8H16O2.
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|
Describe the ring structures in building block <BB_375>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_375>.
|
The molecule contains the following groups: Alcohol, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_375>.
|
**Token:** <BB_375>
**SMILES:** CC1(C)CC(CO)CCO1
**Molecular Formula:** C8H16O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Alcohol, Ether
|
|
Provide the SMILES representation for the building block token <BB_376>.
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CC(=O)c1cccc(N2Cc3ccccc3C2=N)c1
|
|
What is the building block token for the following molecule?
|
CC(=O)c1cccc(N2Cc3ccccc3C2=N)c1
|
<BB_376>
|
What is the molecular formula for <BB_376>?
|
The molecular formula for <BB_376> (CC(=O)c1cccc(N2Cc3ccccc3C2=N)c1) is C16H14N2O.
|
|
Describe the ring structures in building block <BB_376>.
|
The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_376>.
|
The molecule contains the following groups: Tertiary Amine, Ketone.
|
|
Provide a comprehensive chemical profile for the building block <BB_376>.
|
**Token:** <BB_376>
**SMILES:** CC(=O)c1cccc(N2Cc3ccccc3C2=N)c1
**Molecular Formula:** C16H14N2O
**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:** Tertiary Amine, Ketone
|
|
Provide the SMILES representation for the building block token <BB_377>.
|
COC(=O)C(C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
|
|
What is the building block token for the following molecule?
|
COC(=O)C(C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
|
<BB_377>
|
What is the molecular formula for <BB_377>?
|
The molecular formula for <BB_377> (COC(=O)C(C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1) is C11H11ClN2O5.
|
|
Describe the ring structures in building block <BB_377>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_377>.
|
The molecule contains the following groups: Tertiary Amine, Amide, Ester, Ether, Halogen (F,Cl,Br,I), Nitro.
|
|
Provide a comprehensive chemical profile for the building block <BB_377>.
|
**Token:** <BB_377>
**SMILES:** COC(=O)C(C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
**Molecular Formula:** C11H11ClN2O5
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide, Ester, Ether, Halogen (F,Cl,Br,I), Nitro
|
|
Provide the SMILES representation for the building block token <BB_378>.
|
Cc1ccc(CBr)s1
|
|
What is the building block token for the following molecule?
|
Cc1ccc(CBr)s1
|
<BB_378>
|
What is the molecular formula for <BB_378>?
|
The molecular formula for <BB_378> (Cc1ccc(CBr)s1) is C6H7BrS.
|
|
Describe the ring structures in building block <BB_378>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_378>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_378>.
|
**Token:** <BB_378>
**SMILES:** Cc1ccc(CBr)s1
**Molecular Formula:** C6H7BrS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_379>.
|
O=S([O-])c1ccccc1C(F)(F)F.[Na+]
|
|
What is the building block token for the following molecule?
|
O=S([O-])c1ccccc1C(F)(F)F.[Na+]
|
<BB_379>
|
What is the molecular formula for <BB_379>?
|
The molecular formula for <BB_379> (O=S([O-])c1ccccc1C(F)(F)F.[Na+]) is C7H4F3NaO2S.
|
|
Describe the ring structures in building block <BB_379>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_379>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_379>.
|
**Token:** <BB_379>
**SMILES:** O=S([O-])c1ccccc1C(F)(F)F.[Na+]
**Molecular Formula:** C7H4F3NaO2S
**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_380>.
|
CC(=O)NCCNC(=O)c1ccccc1N
|
|
What is the building block token for the following molecule?
|
CC(=O)NCCNC(=O)c1ccccc1N
|
<BB_380>
|
What is the molecular formula for <BB_380>?
|
The molecular formula for <BB_380> (CC(=O)NCCNC(=O)c1ccccc1N) is C11H15N3O2.
|
|
Describe the ring structures in building block <BB_380>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_380>.
|
The molecule contains the following groups: Amine, Amide.
|
|
Provide a comprehensive chemical profile for the building block <BB_380>.
|
**Token:** <BB_380>
**SMILES:** CC(=O)NCCNC(=O)c1ccccc1N
**Molecular Formula:** C11H15N3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide
|
|
Provide the SMILES representation for the building block token <BB_381>.
|
CC(C)(C)OC(=O)N1C(CN)CCC1(C)C
|
|
What is the building block token for the following molecule?
|
CC(C)(C)OC(=O)N1C(CN)CCC1(C)C
|
<BB_381>
|
What is the molecular formula for <BB_381>?
|
The molecular formula for <BB_381> (CC(C)(C)OC(=O)N1C(CN)CCC1(C)C) is C12H24N2O2.
|
|
Describe the ring structures in building block <BB_381>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_381>.
|
The molecule contains the following groups: Amine, Amide, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_381>.
|
**Token:** <BB_381>
**SMILES:** CC(C)(C)OC(=O)N1C(CN)CCC1(C)C
**Molecular Formula:** C12H24N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide, Ether
|
|
Provide the SMILES representation for the building block token <BB_382>.
|
Clc1ncc(-c2ccccc2)o1
|
|
What is the building block token for the following molecule?
|
Clc1ncc(-c2ccccc2)o1
|
<BB_382>
|
What is the molecular formula for <BB_382>?
|
The molecular formula for <BB_382> (Clc1ncc(-c2ccccc2)o1) is C9H6ClNO.
|
|
Describe the ring structures in building block <BB_382>.
|
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_382>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_382>.
|
**Token:** <BB_382>
**SMILES:** Clc1ncc(-c2ccccc2)o1
**Molecular Formula:** C9H6ClNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_383>.
|
Cc1cc2[nH]c(=O)c(C(=O)O)cn2n1
|
|
What is the building block token for the following molecule?
|
Cc1cc2[nH]c(=O)c(C(=O)O)cn2n1
|
<BB_383>
|
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