Dataset Viewer
Auto-converted to Parquet
instruction
stringlengths
41
142
input
stringlengths
0
478
output
stringlengths
4
382
Provide the SMILES representation for the building block token <BB_0>.
C=CCc1ccc(F)c(C)c1
What is the building block token for the following molecule?
C=CCc1ccc(F)c(C)c1
<BB_0>
What is the molecular formula for <BB_0>?
The molecular formula for <BB_0> (C=CCc1ccc(F)c(C)c1) is C10H11F.
Describe the ring structures in building block <BB_0>.
The molecule contains 1 ring(s): an aromatic ring of size 6.
List the primary functional groups present in <BB_0>.
The molecule contains the following groups: Halogen (F,Cl,Br,I).
Provide a comprehensive chemical profile for the building block <BB_0>.
**Token:** <BB_0> **SMILES:** C=CCc1ccc(F)c(C)c1 **Molecular Formula:** C10H11F **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_1>.
CC(C)(c1ccc(C=O)cc1)C(F)(F)F
What is the building block token for the following molecule?
CC(C)(c1ccc(C=O)cc1)C(F)(F)F
<BB_1>
What is the molecular formula for <BB_1>?
The molecular formula for <BB_1> (CC(C)(c1ccc(C=O)cc1)C(F)(F)F) is C11H11F3O.
Describe the ring structures in building block <BB_1>.
The molecule contains 1 ring(s): an aromatic ring of size 6.
List the primary functional groups present in <BB_1>.
The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I).
Provide a comprehensive chemical profile for the building block <BB_1>.
**Token:** <BB_1> **SMILES:** CC(C)(c1ccc(C=O)cc1)C(F)(F)F **Molecular Formula:** C11H11F3O **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_2>.
CCNC(=O)NC(C)(C)C(=O)O
What is the building block token for the following molecule?
CCNC(=O)NC(C)(C)C(=O)O
<BB_2>
What is the molecular formula for <BB_2>?
The molecular formula for <BB_2> (CCNC(=O)NC(C)(C)C(=O)O) is C7H14N2O3.
Describe the ring structures in building block <BB_2>.
The molecule is acyclic (contains no rings).
List the primary functional groups present in <BB_2>.
The molecule contains the following groups: Carboxylic Acid, Amide.
Provide a comprehensive chemical profile for the building block <BB_2>.
**Token:** <BB_2> **SMILES:** CCNC(=O)NC(C)(C)C(=O)O **Molecular Formula:** C7H14N2O3 **Ring System:** The molecule is acyclic (contains no rings). **Functional Groups:** Carboxylic Acid, Amide
Provide the SMILES representation for the building block token <BB_3>.
CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)O)cc1
What is the building block token for the following molecule?
CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)O)cc1
<BB_3>
What is the molecular formula for <BB_3>?
The molecular formula for <BB_3> (CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)O)cc1) is C13H19NO4S.
Describe the ring structures in building block <BB_3>.
The molecule contains 1 ring(s): an aromatic ring of size 6.
List the primary functional groups present in <BB_3>.
The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Sulfonamide.
Provide a comprehensive chemical profile for the building block <BB_3>.
**Token:** <BB_3> **SMILES:** CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 **Molecular Formula:** C13H19NO4S **Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6. **Functional Groups:** Carboxylic Acid, Secondary Amine, Sulfonamide
Provide the SMILES representation for the building block token <BB_4>.
COC(=O)c1cc(Br)ccc1C
What is the building block token for the following molecule?
COC(=O)c1cc(Br)ccc1C
<BB_4>
What is the molecular formula for <BB_4>?
The molecular formula for <BB_4> (COC(=O)c1cc(Br)ccc1C) is C9H9BrO2.
Describe the ring structures in building block <BB_4>.
The molecule contains 1 ring(s): an aromatic ring of size 6.
List the primary functional groups present in <BB_4>.
The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I).
Provide a comprehensive chemical profile for the building block <BB_4>.
**Token:** <BB_4> **SMILES:** COC(=O)c1cc(Br)ccc1C **Molecular Formula:** C9H9BrO2 **Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6. **Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I)
Provide the SMILES representation for the building block token <BB_5>.
COC(=O)C(N)C(O)C(C)C.Cl
What is the building block token for the following molecule?
COC(=O)C(N)C(O)C(C)C.Cl
<BB_5>
What is the molecular formula for <BB_5>?
The molecular formula for <BB_5> (COC(=O)C(N)C(O)C(C)C.Cl) is C7H16ClNO3.
Describe the ring structures in building block <BB_5>.
The molecule is acyclic (contains no rings).
List the primary functional groups present in <BB_5>.
The molecule contains the following groups: Amine, Ester, Alcohol, Ether, Halogen (F,Cl,Br,I).
Provide a comprehensive chemical profile for the building block <BB_5>.
**Token:** <BB_5> **SMILES:** COC(=O)C(N)C(O)C(C)C.Cl **Molecular Formula:** C7H16ClNO3 **Ring System:** The molecule is acyclic (contains no rings). **Functional Groups:** Amine, Ester, Alcohol, Ether, Halogen (F,Cl,Br,I)
Provide the SMILES representation for the building block token <BB_6>.
Cn1cc(C=O)c(-c2ccccc2)n1
What is the building block token for the following molecule?
Cn1cc(C=O)c(-c2ccccc2)n1
<BB_6>
What is the molecular formula for <BB_6>?
The molecular formula for <BB_6> (Cn1cc(C=O)c(-c2ccccc2)n1) is C11H10N2O.
Describe the ring structures in building block <BB_6>.
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_6>.
The molecule contains the following groups: Aldehyde.
Provide a comprehensive chemical profile for the building block <BB_6>.
**Token:** <BB_6> **SMILES:** Cn1cc(C=O)c(-c2ccccc2)n1 **Molecular Formula:** C11H10N2O **Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6. **Functional Groups:** Aldehyde
Provide the SMILES representation for the building block token <BB_7>.
CN(C1CCCCC1)C1CCCCC1
What is the building block token for the following molecule?
CN(C1CCCCC1)C1CCCCC1
<BB_7>
What is the molecular formula for <BB_7>?
The molecular formula for <BB_7> (CN(C1CCCCC1)C1CCCCC1) is C13H25N.
Describe the ring structures in building block <BB_7>.
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_7>.
The molecule contains the following groups: Tertiary Amine.
Provide a comprehensive chemical profile for the building block <BB_7>.
**Token:** <BB_7> **SMILES:** CN(C1CCCCC1)C1CCCCC1 **Molecular Formula:** C13H25N **Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6. **Functional Groups:** Tertiary Amine
Provide the SMILES representation for the building block token <BB_8>.
C#CCC1(C(=O)Cl)CCCCC1
What is the building block token for the following molecule?
C#CCC1(C(=O)Cl)CCCCC1
<BB_8>
What is the molecular formula for <BB_8>?
The molecular formula for <BB_8> (C#CCC1(C(=O)Cl)CCCCC1) is C10H13ClO.
Describe the ring structures in building block <BB_8>.
The molecule contains 1 ring(s): an aliphatic ring of size 6.
List the primary functional groups present in <BB_8>.
The molecule contains the following groups: Halogen (F,Cl,Br,I).
Provide a comprehensive chemical profile for the building block <BB_8>.
**Token:** <BB_8> **SMILES:** C#CCC1(C(=O)Cl)CCCCC1 **Molecular Formula:** C10H13ClO **Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6. **Functional Groups:** Halogen (F,Cl,Br,I)
Provide the SMILES representation for the building block token <BB_9>.
CCn1nccc1C1CCNCC1
What is the building block token for the following molecule?
CCn1nccc1C1CCNCC1
<BB_9>
What is the molecular formula for <BB_9>?
The molecular formula for <BB_9> (CCn1nccc1C1CCNCC1) is C10H17N3.
Describe the ring structures in building block <BB_9>.
The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
List the primary functional groups present in <BB_9>.
The molecule contains the following groups: Secondary Amine.
Provide a comprehensive chemical profile for the building block <BB_9>.
**Token:** <BB_9> **SMILES:** CCn1nccc1C1CCNCC1 **Molecular Formula:** C10H17N3 **Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. **Functional Groups:** Secondary Amine
Provide the SMILES representation for the building block token <BB_10>.
CCCCC(=CCO)CCCC
What is the building block token for the following molecule?
CCCCC(=CCO)CCCC
<BB_10>
What is the molecular formula for <BB_10>?
The molecular formula for <BB_10> (CCCCC(=CCO)CCCC) is C11H22O.
Describe the ring structures in building block <BB_10>.
The molecule is acyclic (contains no rings).
List the primary functional groups present in <BB_10>.
The molecule contains the following groups: Alcohol.
Provide a comprehensive chemical profile for the building block <BB_10>.
**Token:** <BB_10> **SMILES:** CCCCC(=CCO)CCCC **Molecular Formula:** C11H22O **Ring System:** The molecule is acyclic (contains no rings). **Functional Groups:** Alcohol
Provide the SMILES representation for the building block token <BB_11>.
CC(F)(F)CCCO
What is the building block token for the following molecule?
CC(F)(F)CCCO
<BB_11>
What is the molecular formula for <BB_11>?
The molecular formula for <BB_11> (CC(F)(F)CCCO) is C5H10F2O.
Describe the ring structures in building block <BB_11>.
The molecule is acyclic (contains no rings).
List the primary functional groups present in <BB_11>.
The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I).
Provide a comprehensive chemical profile for the building block <BB_11>.
**Token:** <BB_11> **SMILES:** CC(F)(F)CCCO **Molecular Formula:** C5H10F2O **Ring System:** The molecule is acyclic (contains no rings). **Functional Groups:** Alcohol, Halogen (F,Cl,Br,I)
Provide the SMILES representation for the building block token <BB_12>.
CCC(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1
What is the building block token for the following molecule?
CCC(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1
<BB_12>
What is the molecular formula for <BB_12>?
The molecular formula for <BB_12> (CCC(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1) is C9H8Cl2O3S.
Describe the ring structures in building block <BB_12>.
The molecule contains 1 ring(s): an aromatic ring of size 6.
List the primary functional groups present in <BB_12>.
The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I).
Provide a comprehensive chemical profile for the building block <BB_12>.
**Token:** <BB_12> **SMILES:** CCC(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1 **Molecular Formula:** C9H8Cl2O3S **Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6. **Functional Groups:** Ketone, Halogen (F,Cl,Br,I)
Provide the SMILES representation for the building block token <BB_13>.
COCC1(N)CCC(F)(F)CC1.Cl
What is the building block token for the following molecule?
COCC1(N)CCC(F)(F)CC1.Cl
<BB_13>
What is the molecular formula for <BB_13>?
The molecular formula for <BB_13> (COCC1(N)CCC(F)(F)CC1.Cl) is C8H16ClF2NO.
Describe the ring structures in building block <BB_13>.
The molecule contains 1 ring(s): an aliphatic ring of size 6.
List the primary functional groups present in <BB_13>.
The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I).
Provide a comprehensive chemical profile for the building block <BB_13>.
**Token:** <BB_13> **SMILES:** COCC1(N)CCC(F)(F)CC1.Cl **Molecular Formula:** C8H16ClF2NO **Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6. **Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I)
Provide the SMILES representation for the building block token <BB_14>.
Cn1c(N2CCNCC2)nc(Cl)c1C#N
What is the building block token for the following molecule?
Cn1c(N2CCNCC2)nc(Cl)c1C#N
<BB_14>
What is the molecular formula for <BB_14>?
The molecular formula for <BB_14> (Cn1c(N2CCNCC2)nc(Cl)c1C#N) is C9H12ClN5.
Describe the ring structures in building block <BB_14>.
The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
List the primary functional groups present in <BB_14>.
The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitrile.
Provide a comprehensive chemical profile for the building block <BB_14>.
**Token:** <BB_14> **SMILES:** Cn1c(N2CCNCC2)nc(Cl)c1C#N **Molecular Formula:** C9H12ClN5 **Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. **Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitrile
Provide the SMILES representation for the building block token <BB_15>.
CC1Cc2cccc(CN)c2N1
What is the building block token for the following molecule?
CC1Cc2cccc(CN)c2N1
<BB_15>
What is the molecular formula for <BB_15>?
The molecular formula for <BB_15> (CC1Cc2cccc(CN)c2N1) is C10H14N2.
Describe the ring structures in building block <BB_15>.
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
List the primary functional groups present in <BB_15>.
The molecule contains the following groups: Amine, Secondary Amine.
Provide a comprehensive chemical profile for the building block <BB_15>.
**Token:** <BB_15> **SMILES:** CC1Cc2cccc(CN)c2N1 **Molecular Formula:** C10H14N2 **Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. **Functional Groups:** Amine, Secondary Amine
Provide the SMILES representation for the building block token <BB_16>.
Fc1ccc(CCN2CCNCC2)cc1
What is the building block token for the following molecule?
Fc1ccc(CCN2CCNCC2)cc1
<BB_16>
What is the molecular formula for <BB_16>?
The molecular formula for <BB_16> (Fc1ccc(CCN2CCNCC2)cc1) is C12H17FN2.
Describe the ring structures in building block <BB_16>.
The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
End of preview. Expand in Data Studio

No dataset card yet

Downloads last month
18