instruction
stringlengths 41
142
| input
stringlengths 0
478
| output
stringlengths 4
382
|
|---|---|---|
What is the molecular formula for <BB_9883>?
|
The molecular formula for <BB_9883> (CC1(C)OC2(CO)CCC1C2) is C9H16O2.
|
|
Describe the ring structures in building block <BB_9883>.
|
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_9883>.
|
The molecule contains the following groups: Alcohol, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_9883>.
|
**Token:** <BB_9883>
**SMILES:** CC1(C)OC2(CO)CCC1C2
**Molecular Formula:** C9H16O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Alcohol, Ether
|
|
Provide the SMILES representation for the building block token <BB_9884>.
|
CCCC(=O)c1ccccc1
|
|
What is the building block token for the following molecule?
|
CCCC(=O)c1ccccc1
|
<BB_9884>
|
What is the molecular formula for <BB_9884>?
|
The molecular formula for <BB_9884> (CCCC(=O)c1ccccc1) is C10H12O.
|
|
Describe the ring structures in building block <BB_9884>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9884>.
|
The molecule contains the following groups: Ketone.
|
|
Provide a comprehensive chemical profile for the building block <BB_9884>.
|
**Token:** <BB_9884>
**SMILES:** CCCC(=O)c1ccccc1
**Molecular Formula:** C10H12O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone
|
|
Provide the SMILES representation for the building block token <BB_9885>.
|
C=CCC(C)CO
|
|
What is the building block token for the following molecule?
|
C=CCC(C)CO
|
<BB_9885>
|
What is the molecular formula for <BB_9885>?
|
The molecular formula for <BB_9885> (C=CCC(C)CO) is C6H12O.
|
|
Describe the ring structures in building block <BB_9885>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_9885>.
|
The molecule contains the following groups: Alcohol.
|
|
Provide a comprehensive chemical profile for the building block <BB_9885>.
|
**Token:** <BB_9885>
**SMILES:** C=CCC(C)CO
**Molecular Formula:** C6H12O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol
|
|
Provide the SMILES representation for the building block token <BB_9886>.
|
C#CC(=O)N1CCS(=O)(=O)CC1
|
|
What is the building block token for the following molecule?
|
C#CC(=O)N1CCS(=O)(=O)CC1
|
<BB_9886>
|
What is the molecular formula for <BB_9886>?
|
The molecular formula for <BB_9886> (C#CC(=O)N1CCS(=O)(=O)CC1) is C7H9NO3S.
|
|
Describe the ring structures in building block <BB_9886>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_9886>.
|
The molecule contains the following groups: Amide.
|
|
Provide a comprehensive chemical profile for the building block <BB_9886>.
|
**Token:** <BB_9886>
**SMILES:** C#CC(=O)N1CCS(=O)(=O)CC1
**Molecular Formula:** C7H9NO3S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide
|
|
Provide the SMILES representation for the building block token <BB_9887>.
|
Cc1ccc(/C=C/S(=O)(=O)Cl)cc1
|
|
What is the building block token for the following molecule?
|
Cc1ccc(/C=C/S(=O)(=O)Cl)cc1
|
<BB_9887>
|
What is the molecular formula for <BB_9887>?
|
The molecular formula for <BB_9887> (Cc1ccc(/C=C/S(=O)(=O)Cl)cc1) is C9H9ClO2S.
|
|
Describe the ring structures in building block <BB_9887>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9887>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9887>.
|
**Token:** <BB_9887>
**SMILES:** Cc1ccc(/C=C/S(=O)(=O)Cl)cc1
**Molecular Formula:** C9H9ClO2S
**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_9888>.
|
FC(F)(F)Cc1cc(Br)cc(Br)c1
|
|
What is the building block token for the following molecule?
|
FC(F)(F)Cc1cc(Br)cc(Br)c1
|
<BB_9888>
|
What is the molecular formula for <BB_9888>?
|
The molecular formula for <BB_9888> (FC(F)(F)Cc1cc(Br)cc(Br)c1) is C8H5Br2F3.
|
|
Describe the ring structures in building block <BB_9888>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9888>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9888>.
|
**Token:** <BB_9888>
**SMILES:** FC(F)(F)Cc1cc(Br)cc(Br)c1
**Molecular Formula:** C8H5Br2F3
**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_9889>.
|
CC(C)(C)Oc1cccc(S(=O)(=O)Cl)n1
|
|
What is the building block token for the following molecule?
|
CC(C)(C)Oc1cccc(S(=O)(=O)Cl)n1
|
<BB_9889>
|
What is the molecular formula for <BB_9889>?
|
The molecular formula for <BB_9889> (CC(C)(C)Oc1cccc(S(=O)(=O)Cl)n1) is C9H12ClNO3S.
|
|
Describe the ring structures in building block <BB_9889>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9889>.
|
The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9889>.
|
**Token:** <BB_9889>
**SMILES:** CC(C)(C)Oc1cccc(S(=O)(=O)Cl)n1
**Molecular Formula:** C9H12ClNO3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_9890>.
|
Cl.Cl.O=C(NCc1cccnc1)C1CCNCC1
|
|
What is the building block token for the following molecule?
|
Cl.Cl.O=C(NCc1cccnc1)C1CCNCC1
|
<BB_9890>
|
What is the molecular formula for <BB_9890>?
|
The molecular formula for <BB_9890> (Cl.Cl.O=C(NCc1cccnc1)C1CCNCC1) is C12H19Cl2N3O.
|
|
Describe the ring structures in building block <BB_9890>.
|
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_9890>.
|
The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9890>.
|
**Token:** <BB_9890>
**SMILES:** Cl.Cl.O=C(NCc1cccnc1)C1CCNCC1
**Molecular Formula:** C12H19Cl2N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_9891>.
|
CC(C)(C(=O)O)C(F)F
|
|
What is the building block token for the following molecule?
|
CC(C)(C(=O)O)C(F)F
|
<BB_9891>
|
What is the molecular formula for <BB_9891>?
|
The molecular formula for <BB_9891> (CC(C)(C(=O)O)C(F)F) is C5H8F2O2.
|
|
Describe the ring structures in building block <BB_9891>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_9891>.
|
The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9891>.
|
**Token:** <BB_9891>
**SMILES:** CC(C)(C(=O)O)C(F)F
**Molecular Formula:** C5H8F2O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_9892>.
|
O=S(=O)(Cl)c1ccc(S(=O)(=O)CF)cc1
|
|
What is the building block token for the following molecule?
|
O=S(=O)(Cl)c1ccc(S(=O)(=O)CF)cc1
|
<BB_9892>
|
What is the molecular formula for <BB_9892>?
|
The molecular formula for <BB_9892> (O=S(=O)(Cl)c1ccc(S(=O)(=O)CF)cc1) is C7H6ClFO4S2.
|
|
Describe the ring structures in building block <BB_9892>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9892>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9892>.
|
**Token:** <BB_9892>
**SMILES:** O=S(=O)(Cl)c1ccc(S(=O)(=O)CF)cc1
**Molecular Formula:** C7H6ClFO4S2
**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_9893>.
|
C=CC(=O)Nc1ccc(N(C)C)cc1
|
|
What is the building block token for the following molecule?
|
C=CC(=O)Nc1ccc(N(C)C)cc1
|
<BB_9893>
|
What is the molecular formula for <BB_9893>?
|
The molecular formula for <BB_9893> (C=CC(=O)Nc1ccc(N(C)C)cc1) is C11H14N2O.
|
|
Describe the ring structures in building block <BB_9893>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9893>.
|
The molecule contains the following groups: Tertiary Amine, Amide.
|
|
Provide a comprehensive chemical profile for the building block <BB_9893>.
|
**Token:** <BB_9893>
**SMILES:** C=CC(=O)Nc1ccc(N(C)C)cc1
**Molecular Formula:** C11H14N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide
|
|
Provide the SMILES representation for the building block token <BB_9894>.
|
CC(C)(C)c1ccc(NC(N)=S)cc1
|
|
What is the building block token for the following molecule?
|
CC(C)(C)c1ccc(NC(N)=S)cc1
|
<BB_9894>
|
What is the molecular formula for <BB_9894>?
|
The molecular formula for <BB_9894> (CC(C)(C)c1ccc(NC(N)=S)cc1) is C11H16N2S.
|
|
Describe the ring structures in building block <BB_9894>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9894>.
|
The molecule contains the following groups: Amine, Secondary Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_9894>.
|
**Token:** <BB_9894>
**SMILES:** CC(C)(C)c1ccc(NC(N)=S)cc1
**Molecular Formula:** C11H16N2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine
|
|
Provide the SMILES representation for the building block token <BB_9895>.
|
O=C(O)C1(C(=O)NC2CC2)CCC1
|
|
What is the building block token for the following molecule?
|
O=C(O)C1(C(=O)NC2CC2)CCC1
|
<BB_9895>
|
What is the molecular formula for <BB_9895>?
|
The molecular formula for <BB_9895> (O=C(O)C1(C(=O)NC2CC2)CCC1) is C9H13NO3.
|
|
Describe the ring structures in building block <BB_9895>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 4.
|
|
List the primary functional groups present in <BB_9895>.
|
The molecule contains the following groups: Carboxylic Acid, Amide.
|
|
Provide a comprehensive chemical profile for the building block <BB_9895>.
|
**Token:** <BB_9895>
**SMILES:** O=C(O)C1(C(=O)NC2CC2)CCC1
**Molecular Formula:** C9H13NO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Amide
|
|
Provide the SMILES representation for the building block token <BB_9896>.
|
Clc1cc(NCc2ccccc2)ccn1
|
|
What is the building block token for the following molecule?
|
Clc1cc(NCc2ccccc2)ccn1
|
<BB_9896>
|
What is the molecular formula for <BB_9896>?
|
The molecular formula for <BB_9896> (Clc1cc(NCc2ccccc2)ccn1) is C12H11ClN2.
|
|
Describe the ring structures in building block <BB_9896>.
|
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_9896>.
|
The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9896>.
|
**Token:** <BB_9896>
**SMILES:** Clc1cc(NCc2ccccc2)ccn1
**Molecular Formula:** C12H11ClN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_9897>.
|
CCC(N)Cc1ccc(F)cc1.Cl
|
|
What is the building block token for the following molecule?
|
CCC(N)Cc1ccc(F)cc1.Cl
|
<BB_9897>
|
What is the molecular formula for <BB_9897>?
|
The molecular formula for <BB_9897> (CCC(N)Cc1ccc(F)cc1.Cl) is C10H15ClFN.
|
|
Describe the ring structures in building block <BB_9897>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_9897>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_9897>.
|
**Token:** <BB_9897>
**SMILES:** CCC(N)Cc1ccc(F)cc1.Cl
**Molecular Formula:** C10H15ClFN
**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_9898>.
|
Oc1cnn[nH]1
|
|
What is the building block token for the following molecule?
|
Oc1cnn[nH]1
|
<BB_9898>
|
What is the molecular formula for <BB_9898>?
|
The molecular formula for <BB_9898> (Oc1cnn[nH]1) is C2H3N3O.
|
|
Describe the ring structures in building block <BB_9898>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_9898>.
|
The molecule contains the following groups: None specific.
|
|
Provide a comprehensive chemical profile for the building block <BB_9898>.
|
**Token:** <BB_9898>
**SMILES:** Oc1cnn[nH]1
**Molecular Formula:** C2H3N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** None specific
|
|
Provide the SMILES representation for the building block token <BB_9899>.
|
c1ccc2c(c1)CCCC2C1CO1
|
|
What is the building block token for the following molecule?
|
c1ccc2c(c1)CCCC2C1CO1
|
<BB_9899>
|
What is the molecular formula for <BB_9899>?
|
The molecular formula for <BB_9899> (c1ccc2c(c1)CCCC2C1CO1) is C12H14O.
|
|
Describe the ring structures in building block <BB_9899>.
|
The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 3.
|
|
List the primary functional groups present in <BB_9899>.
|
The molecule contains the following groups: Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_9899>.
|
**Token:** <BB_9899>
**SMILES:** c1ccc2c(c1)CCCC2C1CO1
**Molecular Formula:** C12H14O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Ether
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.