instruction
stringlengths 41
142
| input
stringlengths 0
478
| output
stringlengths 4
382
|
|---|---|---|
What is the molecular formula for <BB_233>?
|
The molecular formula for <BB_233> (Cl.NCC[C@H]1CCC(=O)N1) is C6H13ClN2O.
|
|
Describe the ring structures in building block <BB_233>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_233>.
|
The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_233>.
|
**Token:** <BB_233>
**SMILES:** Cl.NCC[C@H]1CCC(=O)N1
**Molecular Formula:** C6H13ClN2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_234>.
|
O=C(O)c1ncc2ccccc2c1O
|
|
What is the building block token for the following molecule?
|
O=C(O)c1ncc2ccccc2c1O
|
<BB_234>
|
What is the molecular formula for <BB_234>?
|
The molecular formula for <BB_234> (O=C(O)c1ncc2ccccc2c1O) is C10H7NO3.
|
|
Describe the ring structures in building block <BB_234>.
|
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_234>.
|
The molecule contains the following groups: Carboxylic Acid.
|
|
Provide a comprehensive chemical profile for the building block <BB_234>.
|
**Token:** <BB_234>
**SMILES:** O=C(O)c1ncc2ccccc2c1O
**Molecular Formula:** C10H7NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid
|
|
Provide the SMILES representation for the building block token <BB_235>.
|
Cc1ccsc1C(=O)Cc1nc2ccccc2o1
|
|
What is the building block token for the following molecule?
|
Cc1ccsc1C(=O)Cc1nc2ccccc2o1
|
<BB_235>
|
What is the molecular formula for <BB_235>?
|
The molecular formula for <BB_235> (Cc1ccsc1C(=O)Cc1nc2ccccc2o1) is C14H11NO2S.
|
|
Describe the ring structures in building block <BB_235>.
|
The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 5, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_235>.
|
The molecule contains the following groups: Ketone.
|
|
Provide a comprehensive chemical profile for the building block <BB_235>.
|
**Token:** <BB_235>
**SMILES:** Cc1ccsc1C(=O)Cc1nc2ccccc2o1
**Molecular Formula:** C14H11NO2S
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ketone
|
|
Provide the SMILES representation for the building block token <BB_236>.
|
CS(=O)(=O)CC(=O)O
|
|
What is the building block token for the following molecule?
|
CS(=O)(=O)CC(=O)O
|
<BB_236>
|
What is the molecular formula for <BB_236>?
|
The molecular formula for <BB_236> (CS(=O)(=O)CC(=O)O) is C3H6O4S.
|
|
Describe the ring structures in building block <BB_236>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_236>.
|
The molecule contains the following groups: Carboxylic Acid.
|
|
Provide a comprehensive chemical profile for the building block <BB_236>.
|
**Token:** <BB_236>
**SMILES:** CS(=O)(=O)CC(=O)O
**Molecular Formula:** C3H6O4S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid
|
|
Provide the SMILES representation for the building block token <BB_237>.
|
Sc1nc(-c2ccccc2)no1
|
|
What is the building block token for the following molecule?
|
Sc1nc(-c2ccccc2)no1
|
<BB_237>
|
What is the molecular formula for <BB_237>?
|
The molecular formula for <BB_237> (Sc1nc(-c2ccccc2)no1) is C8H6N2OS.
|
|
Describe the ring structures in building block <BB_237>.
|
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_237>.
|
The molecule contains the following groups: Thiol.
|
|
Provide a comprehensive chemical profile for the building block <BB_237>.
|
**Token:** <BB_237>
**SMILES:** Sc1nc(-c2ccccc2)no1
**Molecular Formula:** C8H6N2OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Thiol
|
|
Provide the SMILES representation for the building block token <BB_238>.
|
CCn1cc(CNC)c(C)n1
|
|
What is the building block token for the following molecule?
|
CCn1cc(CNC)c(C)n1
|
<BB_238>
|
What is the molecular formula for <BB_238>?
|
The molecular formula for <BB_238> (CCn1cc(CNC)c(C)n1) is C8H15N3.
|
|
Describe the ring structures in building block <BB_238>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_238>.
|
The molecule contains the following groups: Secondary Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_238>.
|
**Token:** <BB_238>
**SMILES:** CCn1cc(CNC)c(C)n1
**Molecular Formula:** C8H15N3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Secondary Amine
|
|
Provide the SMILES representation for the building block token <BB_239>.
|
Cc1nn(C)c(N2CCCN(C)CC2)c1CN
|
|
What is the building block token for the following molecule?
|
Cc1nn(C)c(N2CCCN(C)CC2)c1CN
|
<BB_239>
|
What is the molecular formula for <BB_239>?
|
The molecular formula for <BB_239> (Cc1nn(C)c(N2CCCN(C)CC2)c1CN) is C12H23N5.
|
|
Describe the ring structures in building block <BB_239>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 7.
|
|
List the primary functional groups present in <BB_239>.
|
The molecule contains the following groups: Amine, Tertiary Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_239>.
|
**Token:** <BB_239>
**SMILES:** Cc1nn(C)c(N2CCCN(C)CC2)c1CN
**Molecular Formula:** C12H23N5
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 7.
**Functional Groups:** Amine, Tertiary Amine
|
|
Provide the SMILES representation for the building block token <BB_240>.
|
COC(=O)Nc1ccc(C(=O)O)c(Cl)c1
|
|
What is the building block token for the following molecule?
|
COC(=O)Nc1ccc(C(=O)O)c(Cl)c1
|
<BB_240>
|
What is the molecular formula for <BB_240>?
|
The molecular formula for <BB_240> (COC(=O)Nc1ccc(C(=O)O)c(Cl)c1) is C9H8ClNO4.
|
|
Describe the ring structures in building block <BB_240>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_240>.
|
The molecule contains the following groups: Carboxylic Acid, Amide, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_240>.
|
**Token:** <BB_240>
**SMILES:** COC(=O)Nc1ccc(C(=O)O)c(Cl)c1
**Molecular Formula:** C9H8ClNO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_241>.
|
COc1ncccc1C(C)=O
|
|
What is the building block token for the following molecule?
|
COc1ncccc1C(C)=O
|
<BB_241>
|
What is the molecular formula for <BB_241>?
|
The molecular formula for <BB_241> (COc1ncccc1C(C)=O) is C8H9NO2.
|
|
Describe the ring structures in building block <BB_241>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_241>.
|
The molecule contains the following groups: Ketone, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_241>.
|
**Token:** <BB_241>
**SMILES:** COc1ncccc1C(C)=O
**Molecular Formula:** C8H9NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Ether
|
|
Provide the SMILES representation for the building block token <BB_242>.
|
COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CN.Cl
|
|
What is the building block token for the following molecule?
|
COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CN.Cl
|
<BB_242>
|
What is the molecular formula for <BB_242>?
|
The molecular formula for <BB_242> (COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CN.Cl) is C12H17ClN2O4.
|
|
Describe the ring structures in building block <BB_242>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_242>.
|
The molecule contains the following groups: Amine, Amide, Ester, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_242>.
|
**Token:** <BB_242>
**SMILES:** COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CN.Cl
**Molecular Formula:** C12H17ClN2O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Ester, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_243>.
|
Nc1ncc(C2CCCCN2)cn1
|
|
What is the building block token for the following molecule?
|
Nc1ncc(C2CCCCN2)cn1
|
<BB_243>
|
What is the molecular formula for <BB_243>?
|
The molecular formula for <BB_243> (Nc1ncc(C2CCCCN2)cn1) is C9H14N4.
|
|
Describe the ring structures in building block <BB_243>.
|
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_243>.
|
The molecule contains the following groups: Amine, Secondary Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_243>.
|
**Token:** <BB_243>
**SMILES:** Nc1ncc(C2CCCCN2)cn1
**Molecular Formula:** C9H14N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine
|
|
Provide the SMILES representation for the building block token <BB_244>.
|
O=C(O)c1ccn2ccccc12
|
|
What is the building block token for the following molecule?
|
O=C(O)c1ccn2ccccc12
|
<BB_244>
|
What is the molecular formula for <BB_244>?
|
The molecular formula for <BB_244> (O=C(O)c1ccn2ccccc12) is C9H7NO2.
|
|
Describe the ring structures in building block <BB_244>.
|
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_244>.
|
The molecule contains the following groups: Carboxylic Acid.
|
|
Provide a comprehensive chemical profile for the building block <BB_244>.
|
**Token:** <BB_244>
**SMILES:** O=C(O)c1ccn2ccccc12
**Molecular Formula:** C9H7NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid
|
|
Provide the SMILES representation for the building block token <BB_245>.
|
CC1(C)OB(C2(F)CC23CCC3)OC1(C)C
|
|
What is the building block token for the following molecule?
|
CC1(C)OB(C2(F)CC23CCC3)OC1(C)C
|
<BB_245>
|
What is the molecular formula for <BB_245>?
|
The molecular formula for <BB_245> (CC1(C)OB(C2(F)CC23CCC3)OC1(C)C) is C12H20BFO2.
|
|
Describe the ring structures in building block <BB_245>.
|
The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3, an aliphatic ring of size 4.
|
|
List the primary functional groups present in <BB_245>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_245>.
|
**Token:** <BB_245>
**SMILES:** CC1(C)OB(C2(F)CC23CCC3)OC1(C)C
**Molecular Formula:** C12H20BFO2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3, an aliphatic ring of size 4.
**Functional Groups:** Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_246>.
|
N#C[C@H](O)c1ccc(F)cc1
|
|
What is the building block token for the following molecule?
|
N#C[C@H](O)c1ccc(F)cc1
|
<BB_246>
|
What is the molecular formula for <BB_246>?
|
The molecular formula for <BB_246> (N#C[C@H](O)c1ccc(F)cc1) is C8H6FNO.
|
|
Describe the ring structures in building block <BB_246>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_246>.
|
The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I), Nitrile.
|
|
Provide a comprehensive chemical profile for the building block <BB_246>.
|
**Token:** <BB_246>
**SMILES:** N#C[C@H](O)c1ccc(F)cc1
**Molecular Formula:** C8H6FNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I), Nitrile
|
|
Provide the SMILES representation for the building block token <BB_247>.
|
Cl.Cl.NC1CCN(CC2CCOCC2)CC1
|
|
What is the building block token for the following molecule?
|
Cl.Cl.NC1CCN(CC2CCOCC2)CC1
|
<BB_247>
|
What is the molecular formula for <BB_247>?
|
The molecular formula for <BB_247> (Cl.Cl.NC1CCN(CC2CCOCC2)CC1) is C11H24Cl2N2O.
|
|
Describe the ring structures in building block <BB_247>.
|
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_247>.
|
The molecule contains the following groups: Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_247>.
|
**Token:** <BB_247>
**SMILES:** Cl.Cl.NC1CCN(CC2CCOCC2)CC1
**Molecular Formula:** C11H24Cl2N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_248>.
|
Cl.Cl.NNCc1cccc(F)c1
|
|
What is the building block token for the following molecule?
|
Cl.Cl.NNCc1cccc(F)c1
|
<BB_248>
|
What is the molecular formula for <BB_248>?
|
The molecular formula for <BB_248> (Cl.Cl.NNCc1cccc(F)c1) is C7H11Cl2FN2.
|
|
Describe the ring structures in building block <BB_248>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_248>.
|
The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_248>.
|
**Token:** <BB_248>
**SMILES:** Cl.Cl.NNCc1cccc(F)c1
**Molecular Formula:** C7H11Cl2FN2
**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_249>.
|
CC(C)CS(=O)(=O)N1CCNCC1.Cl
|
|
What is the building block token for the following molecule?
|
CC(C)CS(=O)(=O)N1CCNCC1.Cl
|
<BB_249>
|
What is the molecular formula for <BB_249>?
|
The molecular formula for <BB_249> (CC(C)CS(=O)(=O)N1CCNCC1.Cl) is C8H19ClN2O2S.
|
|
Describe the ring structures in building block <BB_249>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_249>.
|
The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide.
|
|
Provide a comprehensive chemical profile for the building block <BB_249>.
|
**Token:** <BB_249>
**SMILES:** CC(C)CS(=O)(=O)N1CCNCC1.Cl
**Molecular Formula:** C8H19ClN2O2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.