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Provide the SMILES representation for the building block token <BB_9850>.
|
COC12CC3CC(C1)C(N)C(C3)C2.Cl
|
|
What is the building block token for the following molecule?
|
COC12CC3CC(C1)C(N)C(C3)C2.Cl
|
<BB_9850>
|
What is the molecular formula for <BB_9850>?
|
The molecular formula for <BB_9850> (COC12CC3CC(C1)C(N)C(C3)C2.Cl) is C11H20ClNO.
|
|
Describe the ring structures in building block <BB_9850>.
|
The molecule contains 4 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_9850>.
|
The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9850>.
|
**Token:** <BB_9850>
**SMILES:** COC12CC3CC(C1)C(N)C(C3)C2.Cl
**Molecular Formula:** C11H20ClNO
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I)
|
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Provide the SMILES representation for the building block token <BB_9851>.
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Clc1ccc2cc(Cl)nc(Cl)c2c1
|
|
What is the building block token for the following molecule?
|
Clc1ccc2cc(Cl)nc(Cl)c2c1
|
<BB_9851>
|
What is the molecular formula for <BB_9851>?
|
The molecular formula for <BB_9851> (Clc1ccc2cc(Cl)nc(Cl)c2c1) is C9H4Cl3N.
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Describe the ring structures in building block <BB_9851>.
|
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_9851>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9851>.
|
**Token:** <BB_9851>
**SMILES:** Clc1ccc2cc(Cl)nc(Cl)c2c1
**Molecular Formula:** C9H4Cl3N
**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)
|
|
Provide the SMILES representation for the building block token <BB_9852>.
|
CNc1cc(C(F)(F)F)ccc1N
|
|
What is the building block token for the following molecule?
|
CNc1cc(C(F)(F)F)ccc1N
|
<BB_9852>
|
What is the molecular formula for <BB_9852>?
|
The molecular formula for <BB_9852> (CNc1cc(C(F)(F)F)ccc1N) is C8H9F3N2.
|
|
Describe the ring structures in building block <BB_9852>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9852>.
|
The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9852>.
|
**Token:** <BB_9852>
**SMILES:** CNc1cc(C(F)(F)F)ccc1N
**Molecular Formula:** C8H9F3N2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_9853>.
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C=CC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1
|
|
What is the building block token for the following molecule?
|
C=CC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1
|
<BB_9853>
|
What is the molecular formula for <BB_9853>?
|
The molecular formula for <BB_9853> (C=CC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1) is C14H17NO3.
|
|
Describe the ring structures in building block <BB_9853>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9853>.
|
The molecule contains the following groups: Amide, Ester, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_9853>.
|
**Token:** <BB_9853>
**SMILES:** C=CC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1
**Molecular Formula:** C14H17NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Ester, Ether
|
|
Provide the SMILES representation for the building block token <BB_9854>.
|
Br.Cc1nc(CBr)cs1
|
|
What is the building block token for the following molecule?
|
Br.Cc1nc(CBr)cs1
|
<BB_9854>
|
What is the molecular formula for <BB_9854>?
|
The molecular formula for <BB_9854> (Br.Cc1nc(CBr)cs1) is C5H7Br2NS.
|
|
Describe the ring structures in building block <BB_9854>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_9854>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9854>.
|
**Token:** <BB_9854>
**SMILES:** Br.Cc1nc(CBr)cs1
**Molecular Formula:** C5H7Br2NS
**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_9855>.
|
O=C(O)c1cccc2nc(N3CCNCC3)oc12
|
|
What is the building block token for the following molecule?
|
O=C(O)c1cccc2nc(N3CCNCC3)oc12
|
<BB_9855>
|
What is the molecular formula for <BB_9855>?
|
The molecular formula for <BB_9855> (O=C(O)c1cccc2nc(N3CCNCC3)oc12) is C12H13N3O3.
|
|
Describe the ring structures in building block <BB_9855>.
|
The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_9855>.
|
The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Tertiary Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_9855>.
|
**Token:** <BB_9855>
**SMILES:** O=C(O)c1cccc2nc(N3CCNCC3)oc12
**Molecular Formula:** C12H13N3O3
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Tertiary Amine
|
|
Provide the SMILES representation for the building block token <BB_9856>.
|
Nc1cc(I)cc(Br)n1
|
|
What is the building block token for the following molecule?
|
Nc1cc(I)cc(Br)n1
|
<BB_9856>
|
What is the molecular formula for <BB_9856>?
|
The molecular formula for <BB_9856> (Nc1cc(I)cc(Br)n1) is C5H4BrIN2.
|
|
Describe the ring structures in building block <BB_9856>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9856>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9856>.
|
**Token:** <BB_9856>
**SMILES:** Nc1cc(I)cc(Br)n1
**Molecular Formula:** C5H4BrIN2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_9857>.
|
Nc1cccc(S(=O)(=O)C2CCCC2)c1
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|
What is the building block token for the following molecule?
|
Nc1cccc(S(=O)(=O)C2CCCC2)c1
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<BB_9857>
|
What is the molecular formula for <BB_9857>?
|
The molecular formula for <BB_9857> (Nc1cccc(S(=O)(=O)C2CCCC2)c1) is C11H15NO2S.
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|
Describe the ring structures in building block <BB_9857>.
|
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_9857>.
|
The molecule contains the following groups: Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_9857>.
|
**Token:** <BB_9857>
**SMILES:** Nc1cccc(S(=O)(=O)C2CCCC2)c1
**Molecular Formula:** C11H15NO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine
|
|
Provide the SMILES representation for the building block token <BB_9858>.
|
CCn1ncc(C)c1S(=O)(=O)Cl
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|
What is the building block token for the following molecule?
|
CCn1ncc(C)c1S(=O)(=O)Cl
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<BB_9858>
|
What is the molecular formula for <BB_9858>?
|
The molecular formula for <BB_9858> (CCn1ncc(C)c1S(=O)(=O)Cl) is C6H9ClN2O2S.
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Describe the ring structures in building block <BB_9858>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_9858>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9858>.
|
**Token:** <BB_9858>
**SMILES:** CCn1ncc(C)c1S(=O)(=O)Cl
**Molecular Formula:** C6H9ClN2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_9859>.
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O=C(O)[C@@H](O)C1CCC1
|
|
What is the building block token for the following molecule?
|
O=C(O)[C@@H](O)C1CCC1
|
<BB_9859>
|
What is the molecular formula for <BB_9859>?
|
The molecular formula for <BB_9859> (O=C(O)[C@@H](O)C1CCC1) is C6H10O3.
|
|
Describe the ring structures in building block <BB_9859>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 4.
|
|
List the primary functional groups present in <BB_9859>.
|
The molecule contains the following groups: Carboxylic Acid, Alcohol.
|
|
Provide a comprehensive chemical profile for the building block <BB_9859>.
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**Token:** <BB_9859>
**SMILES:** O=C(O)[C@@H](O)C1CCC1
**Molecular Formula:** C6H10O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Alcohol
|
|
Provide the SMILES representation for the building block token <BB_9860>.
|
C[C@H]1CC[C@H]1CN.Cl
|
|
What is the building block token for the following molecule?
|
C[C@H]1CC[C@H]1CN.Cl
|
<BB_9860>
|
What is the molecular formula for <BB_9860>?
|
The molecular formula for <BB_9860> (C[C@H]1CC[C@H]1CN.Cl) is C6H14ClN.
|
|
Describe the ring structures in building block <BB_9860>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 4.
|
|
List the primary functional groups present in <BB_9860>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9860>.
|
**Token:** <BB_9860>
**SMILES:** C[C@H]1CC[C@H]1CN.Cl
**Molecular Formula:** C6H14ClN
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_9861>.
|
C1CC2(C1)CNCCOC2
|
|
What is the building block token for the following molecule?
|
C1CC2(C1)CNCCOC2
|
<BB_9861>
|
What is the molecular formula for <BB_9861>?
|
The molecular formula for <BB_9861> (C1CC2(C1)CNCCOC2) is C8H15NO.
|
|
Describe the ring structures in building block <BB_9861>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 7.
|
|
List the primary functional groups present in <BB_9861>.
|
The molecule contains the following groups: Secondary Amine, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_9861>.
|
**Token:** <BB_9861>
**SMILES:** C1CC2(C1)CNCCOC2
**Molecular Formula:** C8H15NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 7.
**Functional Groups:** Secondary Amine, Ether
|
|
Provide the SMILES representation for the building block token <BB_9862>.
|
C[C@H]1CN(Cc2ccc(F)cc2)CCN1.Cl.Cl
|
|
What is the building block token for the following molecule?
|
C[C@H]1CN(Cc2ccc(F)cc2)CCN1.Cl.Cl
|
<BB_9862>
|
What is the molecular formula for <BB_9862>?
|
The molecular formula for <BB_9862> (C[C@H]1CN(Cc2ccc(F)cc2)CCN1.Cl.Cl) is C12H19Cl2FN2.
|
|
Describe the ring structures in building block <BB_9862>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9862>.
|
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_9862>.
|
**Token:** <BB_9862>
**SMILES:** C[C@H]1CN(Cc2ccc(F)cc2)CCN1.Cl.Cl
**Molecular Formula:** C12H19Cl2FN2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_9863>.
|
O=C(O)c1cc(C(F)(F)F)ccn1
|
|
What is the building block token for the following molecule?
|
O=C(O)c1cc(C(F)(F)F)ccn1
|
<BB_9863>
|
What is the molecular formula for <BB_9863>?
|
The molecular formula for <BB_9863> (O=C(O)c1cc(C(F)(F)F)ccn1) is C7H4F3NO2.
|
|
Describe the ring structures in building block <BB_9863>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9863>.
|
The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9863>.
|
**Token:** <BB_9863>
**SMILES:** O=C(O)c1cc(C(F)(F)F)ccn1
**Molecular Formula:** C7H4F3NO2
**Ring System:** The molecule contains 1 ring(s): 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_9864>.
|
Cc1ccc(N)cc1NC(=O)CCN(C)C
|
|
What is the building block token for the following molecule?
|
Cc1ccc(N)cc1NC(=O)CCN(C)C
|
<BB_9864>
|
What is the molecular formula for <BB_9864>?
|
The molecular formula for <BB_9864> (Cc1ccc(N)cc1NC(=O)CCN(C)C) is C12H19N3O.
|
|
Describe the ring structures in building block <BB_9864>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9864>.
|
The molecule contains the following groups: Amine, Tertiary Amine, Amide.
|
|
Provide a comprehensive chemical profile for the building block <BB_9864>.
|
**Token:** <BB_9864>
**SMILES:** Cc1ccc(N)cc1NC(=O)CCN(C)C
**Molecular Formula:** C12H19N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Amide
|
|
Provide the SMILES representation for the building block token <BB_9865>.
|
Cl.O=C(O)CC1COc2ccccc2N1
|
|
What is the building block token for the following molecule?
|
Cl.O=C(O)CC1COc2ccccc2N1
|
<BB_9865>
|
What is the molecular formula for <BB_9865>?
|
The molecular formula for <BB_9865> (Cl.O=C(O)CC1COc2ccccc2N1) is C10H12ClNO3.
|
|
Describe the ring structures in building block <BB_9865>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9865>.
|
The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9865>.
|
**Token:** <BB_9865>
**SMILES:** Cl.O=C(O)CC1COc2ccccc2N1
**Molecular Formula:** C10H12ClNO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_9866>.
|
CCCC(CCC)c1ccc(O)cc1
|
|
What is the building block token for the following molecule?
|
CCCC(CCC)c1ccc(O)cc1
|
<BB_9866>
|
What is the molecular formula for <BB_9866>?
|
The molecular formula for <BB_9866> (CCCC(CCC)c1ccc(O)cc1) is C13H20O.
|
|
Describe the ring structures in building block <BB_9866>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
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