instruction
stringlengths 41
142
| input
stringlengths 0
478
| output
stringlengths 4
382
|
|---|---|---|
Provide the SMILES representation for the building block token <BB_50>.
|
CC(C)(C)OC(=O)N1CCC(CN)CC12CCC2
|
|
What is the building block token for the following molecule?
|
CC(C)(C)OC(=O)N1CCC(CN)CC12CCC2
|
<BB_50>
|
What is the molecular formula for <BB_50>?
|
The molecular formula for <BB_50> (CC(C)(C)OC(=O)N1CCC(CN)CC12CCC2) is C14H26N2O2.
|
|
Describe the ring structures in building block <BB_50>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4.
|
|
List the primary functional groups present in <BB_50>.
|
The molecule contains the following groups: Amine, Amide, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_50>.
|
**Token:** <BB_50>
**SMILES:** CC(C)(C)OC(=O)N1CCC(CN)CC12CCC2
**Molecular Formula:** C14H26N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Amine, Amide, Ether
|
|
Provide the SMILES representation for the building block token <BB_51>.
|
Clc1ccc2ncc(I)n2n1
|
|
What is the building block token for the following molecule?
|
Clc1ccc2ncc(I)n2n1
|
<BB_51>
|
What is the molecular formula for <BB_51>?
|
The molecular formula for <BB_51> (Clc1ccc2ncc(I)n2n1) is C6H3ClIN3.
|
|
Describe the ring structures in building block <BB_51>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_51>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_51>.
|
**Token:** <BB_51>
**SMILES:** Clc1ccc2ncc(I)n2n1
**Molecular Formula:** C6H3ClIN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_52>.
|
COc1cccc2c1CCCNC2=O
|
|
What is the building block token for the following molecule?
|
COc1cccc2c1CCCNC2=O
|
<BB_52>
|
What is the molecular formula for <BB_52>?
|
The molecular formula for <BB_52> (COc1cccc2c1CCCNC2=O) is C11H13NO2.
|
|
Describe the ring structures in building block <BB_52>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 7.
|
|
List the primary functional groups present in <BB_52>.
|
The molecule contains the following groups: Amide, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_52>.
|
**Token:** <BB_52>
**SMILES:** COc1cccc2c1CCCNC2=O
**Molecular Formula:** C11H13NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 7.
**Functional Groups:** Amide, Ether
|
|
Provide the SMILES representation for the building block token <BB_53>.
|
CC(C)(C(=O)O)c1c(F)cccc1Cl
|
|
What is the building block token for the following molecule?
|
CC(C)(C(=O)O)c1c(F)cccc1Cl
|
<BB_53>
|
What is the molecular formula for <BB_53>?
|
The molecular formula for <BB_53> (CC(C)(C(=O)O)c1c(F)cccc1Cl) is C10H10ClFO2.
|
|
Describe the ring structures in building block <BB_53>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_53>.
|
The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_53>.
|
**Token:** <BB_53>
**SMILES:** CC(C)(C(=O)O)c1c(F)cccc1Cl
**Molecular Formula:** C10H10ClFO2
**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_54>.
|
CC(C)C[C@@H](N)C(=O)OC(C)(C)C.Cl
|
|
What is the building block token for the following molecule?
|
CC(C)C[C@@H](N)C(=O)OC(C)(C)C.Cl
|
<BB_54>
|
What is the molecular formula for <BB_54>?
|
The molecular formula for <BB_54> (CC(C)C[C@@H](N)C(=O)OC(C)(C)C.Cl) is C10H22ClNO2.
|
|
Describe the ring structures in building block <BB_54>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_54>.
|
The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_54>.
|
**Token:** <BB_54>
**SMILES:** CC(C)C[C@@H](N)C(=O)OC(C)(C)C.Cl
**Molecular Formula:** C10H22ClNO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_55>.
|
Cc1cccnc1CCCN
|
|
What is the building block token for the following molecule?
|
Cc1cccnc1CCCN
|
<BB_55>
|
What is the molecular formula for <BB_55>?
|
The molecular formula for <BB_55> (Cc1cccnc1CCCN) is C9H14N2.
|
|
Describe the ring structures in building block <BB_55>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_55>.
|
The molecule contains the following groups: Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_55>.
|
**Token:** <BB_55>
**SMILES:** Cc1cccnc1CCCN
**Molecular Formula:** C9H14N2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine
|
|
Provide the SMILES representation for the building block token <BB_56>.
|
CC1(C)CNCC2(CCCOC2)O1
|
|
What is the building block token for the following molecule?
|
CC1(C)CNCC2(CCCOC2)O1
|
<BB_56>
|
What is the molecular formula for <BB_56>?
|
The molecular formula for <BB_56> (CC1(C)CNCC2(CCCOC2)O1) is C10H19NO2.
|
|
Describe the ring structures in building block <BB_56>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_56>.
|
The molecule contains the following groups: Secondary Amine, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_56>.
|
**Token:** <BB_56>
**SMILES:** CC1(C)CNCC2(CCCOC2)O1
**Molecular Formula:** C10H19NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether
|
|
Provide the SMILES representation for the building block token <BB_57>.
|
COC(=O)C1(C(=O)OC)CCN1C(=O)OC(C)(C)C
|
|
What is the building block token for the following molecule?
|
COC(=O)C1(C(=O)OC)CCN1C(=O)OC(C)(C)C
|
<BB_57>
|
What is the molecular formula for <BB_57>?
|
The molecular formula for <BB_57> (COC(=O)C1(C(=O)OC)CCN1C(=O)OC(C)(C)C) is C12H19NO6.
|
|
Describe the ring structures in building block <BB_57>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 4.
|
|
List the primary functional groups present in <BB_57>.
|
The molecule contains the following groups: Amide, Ester, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_57>.
|
**Token:** <BB_57>
**SMILES:** COC(=O)C1(C(=O)OC)CCN1C(=O)OC(C)(C)C
**Molecular Formula:** C12H19NO6
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amide, Ester, Ether
|
|
Provide the SMILES representation for the building block token <BB_58>.
|
O=C(O)c1cc(OCc2ccccc2)cs1
|
|
What is the building block token for the following molecule?
|
O=C(O)c1cc(OCc2ccccc2)cs1
|
<BB_58>
|
What is the molecular formula for <BB_58>?
|
The molecular formula for <BB_58> (O=C(O)c1cc(OCc2ccccc2)cs1) is C12H10O3S.
|
|
Describe the ring structures in building block <BB_58>.
|
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_58>.
|
The molecule contains the following groups: Carboxylic Acid, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_58>.
|
**Token:** <BB_58>
**SMILES:** O=C(O)c1cc(OCc2ccccc2)cs1
**Molecular Formula:** C12H10O3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether
|
|
Provide the SMILES representation for the building block token <BB_59>.
|
COC(=O)c1cnc(OC)c(CN)c1.Cl
|
|
What is the building block token for the following molecule?
|
COC(=O)c1cnc(OC)c(CN)c1.Cl
|
<BB_59>
|
What is the molecular formula for <BB_59>?
|
The molecular formula for <BB_59> (COC(=O)c1cnc(OC)c(CN)c1.Cl) is C9H13ClN2O3.
|
|
Describe the ring structures in building block <BB_59>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_59>.
|
The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_59>.
|
**Token:** <BB_59>
**SMILES:** COC(=O)c1cnc(OC)c(CN)c1.Cl
**Molecular Formula:** C9H13ClN2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_60>.
|
CCOc1ccc(-n2nnc3cnc(Cl)nc32)cc1
|
|
What is the building block token for the following molecule?
|
CCOc1ccc(-n2nnc3cnc(Cl)nc32)cc1
|
<BB_60>
|
What is the molecular formula for <BB_60>?
|
The molecular formula for <BB_60> (CCOc1ccc(-n2nnc3cnc(Cl)nc32)cc1) is C12H10ClN5O.
|
|
Describe the ring structures in building block <BB_60>.
|
The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_60>.
|
The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_60>.
|
**Token:** <BB_60>
**SMILES:** CCOc1ccc(-n2nnc3cnc(Cl)nc32)cc1
**Molecular Formula:** C12H10ClN5O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_61>.
|
CC12CC3(C)CC(C)(C1)CC(CN)(C2)C3.Cl
|
|
What is the building block token for the following molecule?
|
CC12CC3(C)CC(C)(C1)CC(CN)(C2)C3.Cl
|
<BB_61>
|
What is the molecular formula for <BB_61>?
|
The molecular formula for <BB_61> (CC12CC3(C)CC(C)(C1)CC(CN)(C2)C3.Cl) is C14H26ClN.
|
|
Describe the ring structures in building block <BB_61>.
|
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_61>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_61>.
|
**Token:** <BB_61>
**SMILES:** CC12CC3(C)CC(C)(C1)CC(CN)(C2)C3.Cl
**Molecular Formula:** C14H26ClN
**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, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_62>.
|
O=Cc1cc(C(F)(F)F)c(F)cc1Br
|
|
What is the building block token for the following molecule?
|
O=Cc1cc(C(F)(F)F)c(F)cc1Br
|
<BB_62>
|
What is the molecular formula for <BB_62>?
|
The molecular formula for <BB_62> (O=Cc1cc(C(F)(F)F)c(F)cc1Br) is C8H3BrF4O.
|
|
Describe the ring structures in building block <BB_62>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_62>.
|
The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_62>.
|
**Token:** <BB_62>
**SMILES:** O=Cc1cc(C(F)(F)F)c(F)cc1Br
**Molecular Formula:** C8H3BrF4O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_63>.
|
COC(=O)c1cnc(O)c2c1NCCC2
|
|
What is the building block token for the following molecule?
|
COC(=O)c1cnc(O)c2c1NCCC2
|
<BB_63>
|
What is the molecular formula for <BB_63>?
|
The molecular formula for <BB_63> (COC(=O)c1cnc(O)c2c1NCCC2) is C10H12N2O3.
|
|
Describe the ring structures in building block <BB_63>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_63>.
|
The molecule contains the following groups: Secondary Amine, Ester, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_63>.
|
**Token:** <BB_63>
**SMILES:** COC(=O)c1cnc(O)c2c1NCCC2
**Molecular Formula:** C10H12N2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Ether
|
|
Provide the SMILES representation for the building block token <BB_64>.
|
CN(C)Cc1cccc(C(=O)O)c1.Cl
|
|
What is the building block token for the following molecule?
|
CN(C)Cc1cccc(C(=O)O)c1.Cl
|
<BB_64>
|
What is the molecular formula for <BB_64>?
|
The molecular formula for <BB_64> (CN(C)Cc1cccc(C(=O)O)c1.Cl) is C10H14ClNO2.
|
|
Describe the ring structures in building block <BB_64>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_64>.
|
The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_64>.
|
**Token:** <BB_64>
**SMILES:** CN(C)Cc1cccc(C(=O)O)c1.Cl
**Molecular Formula:** C10H14ClNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_65>.
|
Oc1cc(F)c2[nH]ccc2c1
|
|
What is the building block token for the following molecule?
|
Oc1cc(F)c2[nH]ccc2c1
|
<BB_65>
|
What is the molecular formula for <BB_65>?
|
The molecular formula for <BB_65> (Oc1cc(F)c2[nH]ccc2c1) is C8H6FNO.
|
|
Describe the ring structures in building block <BB_65>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_65>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_65>.
|
**Token:** <BB_65>
**SMILES:** Oc1cc(F)c2[nH]ccc2c1
**Molecular Formula:** C8H6FNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_66>.
|
Cn1c(I)c(C#N)c(=O)n(C)c1=O
|
|
What is the building block token for the following molecule?
|
Cn1c(I)c(C#N)c(=O)n(C)c1=O
|
<BB_66>
|
What is the molecular formula for <BB_66>?
|
The molecular formula for <BB_66> (Cn1c(I)c(C#N)c(=O)n(C)c1=O) is C7H6IN3O2.
|
|
Describe the ring structures in building block <BB_66>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.