instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_1283>? | The molecular formula for <BB_1283> (OCC(O)c1ccc(F)cc1) is C8H9FO2. | |
Describe the ring structures in building block <BB_1283>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1283>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1283>. | **Token:** <BB_1283>
**SMILES:** OCC(O)c1ccc(F)cc1
**Molecular Formula:** C8H9FO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1284>. | CC(C)(C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | CC(C)(C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] | <BB_1284> |
What is the molecular formula for <BB_1284>? | The molecular formula for <BB_1284> (CC(C)(C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]) is C10H14N2O4S. | |
Describe the ring structures in building block <BB_1284>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1284>. | The molecule contains the following groups: Amine, Tertiary Amine, Nitro, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1284>. | **Token:** <BB_1284>
**SMILES:** CC(C)(C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]
**Molecular Formula:** C10H14N2O4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Nitro, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1285>. | Brc1ocnc1-c1ccccc1 | |
What is the building block token for the following molecule? | Brc1ocnc1-c1ccccc1 | <BB_1285> |
What is the molecular formula for <BB_1285>? | The molecular formula for <BB_1285> (Brc1ocnc1-c1ccccc1) is C9H6BrNO. | |
Describe the ring structures in building block <BB_1285>. | 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_1285>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1285>. | **Token:** <BB_1285>
**SMILES:** Brc1ocnc1-c1ccccc1
**Molecular Formula:** C9H6BrNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1286>. | Cc1nnc([C@H](C)O)o1 | |
What is the building block token for the following molecule? | Cc1nnc([C@H](C)O)o1 | <BB_1286> |
What is the molecular formula for <BB_1286>? | The molecular formula for <BB_1286> (Cc1nnc([C@H](C)O)o1) is C5H8N2O2. | |
Describe the ring structures in building block <BB_1286>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1286>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_1286>. | **Token:** <BB_1286>
**SMILES:** Cc1nnc([C@H](C)O)o1
**Molecular Formula:** C5H8N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_1287>. | COC(=O)[C@H](O)c1ccc(Cl)cc1Br | |
What is the building block token for the following molecule? | COC(=O)[C@H](O)c1ccc(Cl)cc1Br | <BB_1287> |
What is the molecular formula for <BB_1287>? | The molecular formula for <BB_1287> (COC(=O)[C@H](O)c1ccc(Cl)cc1Br) is C9H8BrClO3. | |
Describe the ring structures in building block <BB_1287>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1287>. | The molecule contains the following groups: Ester, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1287>. | **Token:** <BB_1287>
**SMILES:** COC(=O)[C@H](O)c1ccc(Cl)cc1Br
**Molecular Formula:** C9H8BrClO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1288>. | Cc1ccc(-n2ccnc2)cn1 | |
What is the building block token for the following molecule? | Cc1ccc(-n2ccnc2)cn1 | <BB_1288> |
What is the molecular formula for <BB_1288>? | The molecular formula for <BB_1288> (Cc1ccc(-n2ccnc2)cn1) is C9H9N3. | |
Describe the ring structures in building block <BB_1288>. | 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_1288>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1288>. | **Token:** <BB_1288>
**SMILES:** Cc1ccc(-n2ccnc2)cn1
**Molecular Formula:** C9H9N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_1289>. | O=S(=O)(F)c1cc(O)cc(F)c1 | |
What is the building block token for the following molecule? | O=S(=O)(F)c1cc(O)cc(F)c1 | <BB_1289> |
What is the molecular formula for <BB_1289>? | The molecular formula for <BB_1289> (O=S(=O)(F)c1cc(O)cc(F)c1) is C6H4F2O3S. | |
Describe the ring structures in building block <BB_1289>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1289>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1289>. | **Token:** <BB_1289>
**SMILES:** O=S(=O)(F)c1cc(O)cc(F)c1
**Molecular Formula:** C6H4F2O3S
**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_1290>. | FC(F)(F)Cc1ccc(Cl)nc1 | |
What is the building block token for the following molecule? | FC(F)(F)Cc1ccc(Cl)nc1 | <BB_1290> |
What is the molecular formula for <BB_1290>? | The molecular formula for <BB_1290> (FC(F)(F)Cc1ccc(Cl)nc1) is C7H5ClF3N. | |
Describe the ring structures in building block <BB_1290>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1290>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1290>. | **Token:** <BB_1290>
**SMILES:** FC(F)(F)Cc1ccc(Cl)nc1
**Molecular Formula:** C7H5ClF3N
**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_1291>. | O=C(O)CP1(=O)CCCC1 | |
What is the building block token for the following molecule? | O=C(O)CP1(=O)CCCC1 | <BB_1291> |
What is the molecular formula for <BB_1291>? | The molecular formula for <BB_1291> (O=C(O)CP1(=O)CCCC1) is C6H11O3P. | |
Describe the ring structures in building block <BB_1291>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1291>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1291>. | **Token:** <BB_1291>
**SMILES:** O=C(O)CP1(=O)CCCC1
**Molecular Formula:** C6H11O3P
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1292>. | C=CCOc1ccc(C)cc1Br | |
What is the building block token for the following molecule? | C=CCOc1ccc(C)cc1Br | <BB_1292> |
What is the molecular formula for <BB_1292>? | The molecular formula for <BB_1292> (C=CCOc1ccc(C)cc1Br) is C10H11BrO. | |
Describe the ring structures in building block <BB_1292>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1292>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1292>. | **Token:** <BB_1292>
**SMILES:** C=CCOc1ccc(C)cc1Br
**Molecular Formula:** C10H11BrO
**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_1293>. | CC(C)=CC(C)(N)c1ccccc1 | |
What is the building block token for the following molecule? | CC(C)=CC(C)(N)c1ccccc1 | <BB_1293> |
What is the molecular formula for <BB_1293>? | The molecular formula for <BB_1293> (CC(C)=CC(C)(N)c1ccccc1) is C12H17N. | |
Describe the ring structures in building block <BB_1293>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1293>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1293>. | **Token:** <BB_1293>
**SMILES:** CC(C)=CC(C)(N)c1ccccc1
**Molecular Formula:** C12H17N
**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_1294>. | Cn1c(C2CC2)cc(C(=O)O)c1C1CC1 | |
What is the building block token for the following molecule? | Cn1c(C2CC2)cc(C(=O)O)c1C1CC1 | <BB_1294> |
What is the molecular formula for <BB_1294>? | The molecular formula for <BB_1294> (Cn1c(C2CC2)cc(C(=O)O)c1C1CC1) is C12H15NO2. | |
Describe the ring structures in building block <BB_1294>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1294>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1294>. | **Token:** <BB_1294>
**SMILES:** Cn1c(C2CC2)cc(C(=O)O)c1C1CC1
**Molecular Formula:** C12H15NO2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1295>. | O=C(CCl)C1CCCCCC1 | |
What is the building block token for the following molecule? | O=C(CCl)C1CCCCCC1 | <BB_1295> |
What is the molecular formula for <BB_1295>? | The molecular formula for <BB_1295> (O=C(CCl)C1CCCCCC1) is C9H15ClO. | |
Describe the ring structures in building block <BB_1295>. | The molecule contains 1 ring(s): an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_1295>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1295>. | **Token:** <BB_1295>
**SMILES:** O=C(CCl)C1CCCCCC1
**Molecular Formula:** C9H15ClO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1296>. | CN(C)c1cccc(C(=O)O)n1 | |
What is the building block token for the following molecule? | CN(C)c1cccc(C(=O)O)n1 | <BB_1296> |
What is the molecular formula for <BB_1296>? | The molecular formula for <BB_1296> (CN(C)c1cccc(C(=O)O)n1) is C8H10N2O2. | |
Describe the ring structures in building block <BB_1296>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1296>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1296>. | **Token:** <BB_1296>
**SMILES:** CN(C)c1cccc(C(=O)O)n1
**Molecular Formula:** C8H10N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_1297>. | O=C(O)c1coc2cc(Br)ccc12 | |
What is the building block token for the following molecule? | O=C(O)c1coc2cc(Br)ccc12 | <BB_1297> |
What is the molecular formula for <BB_1297>? | The molecular formula for <BB_1297> (O=C(O)c1coc2cc(Br)ccc12) is C9H5BrO3. | |
Describe the ring structures in building block <BB_1297>. | 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_1297>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1297>. | **Token:** <BB_1297>
**SMILES:** O=C(O)c1coc2cc(Br)ccc12
**Molecular Formula:** C9H5BrO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_1298>. | CC(C)(Br)C(=O)O | |
What is the building block token for the following molecule? | CC(C)(Br)C(=O)O | <BB_1298> |
What is the molecular formula for <BB_1298>? | The molecular formula for <BB_1298> (CC(C)(Br)C(=O)O) is C4H7BrO2. | |
Describe the ring structures in building block <BB_1298>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1298>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1298>. | **Token:** <BB_1298>
**SMILES:** CC(C)(Br)C(=O)O
**Molecular Formula:** C4H7BrO2
**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_1299>. | Clc1ccc2c(Cl)c(I)cnc2c1 | |
What is the building block token for the following molecule? | Clc1ccc2c(Cl)c(I)cnc2c1 | <BB_1299> |
What is the molecular formula for <BB_1299>? | The molecular formula for <BB_1299> (Clc1ccc2c(Cl)c(I)cnc2c1) is C9H4Cl2IN. | |
Describe the ring structures in building block <BB_1299>. | 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_1299>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1299>. | **Token:** <BB_1299>
**SMILES:** Clc1ccc2c(Cl)c(I)cnc2c1
**Molecular Formula:** C9H4Cl2IN
**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) |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.