instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_1333>? | The molecular formula for <BB_1333> (Cc1cc(C(=O)O)nn1-c1ccccc1Br) is C11H9BrN2O2. | |
Describe the ring structures in building block <BB_1333>. | 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_1333>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1333>. | **Token:** <BB_1333>
**SMILES:** Cc1cc(C(=O)O)nn1-c1ccccc1Br
**Molecular Formula:** C11H9BrN2O2
**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_1334>. | CC(C)(C)[Si](C)(C)OCC(F)(F)CC(=O)O | |
What is the building block token for the following molecule? | CC(C)(C)[Si](C)(C)OCC(F)(F)CC(=O)O | <BB_1334> |
What is the molecular formula for <BB_1334>? | The molecular formula for <BB_1334> (CC(C)(C)[Si](C)(C)OCC(F)(F)CC(=O)O) is C10H20F2O3Si. | |
Describe the ring structures in building block <BB_1334>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1334>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1334>. | **Token:** <BB_1334>
**SMILES:** CC(C)(C)[Si](C)(C)OCC(F)(F)CC(=O)O
**Molecular Formula:** C10H20F2O3Si
**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_1335>. | Cl.NCCc1c(F)cccc1I | |
What is the building block token for the following molecule? | Cl.NCCc1c(F)cccc1I | <BB_1335> |
What is the molecular formula for <BB_1335>? | The molecular formula for <BB_1335> (Cl.NCCc1c(F)cccc1I) is C8H10ClFIN. | |
Describe the ring structures in building block <BB_1335>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1335>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1335>. | **Token:** <BB_1335>
**SMILES:** Cl.NCCc1c(F)cccc1I
**Molecular Formula:** C8H10ClFIN
**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_1336>. | Cc1cccc2c(C(=O)O)c[nH]c12 | |
What is the building block token for the following molecule? | Cc1cccc2c(C(=O)O)c[nH]c12 | <BB_1336> |
What is the molecular formula for <BB_1336>? | The molecular formula for <BB_1336> (Cc1cccc2c(C(=O)O)c[nH]c12) is C10H9NO2. | |
Describe the ring structures in building block <BB_1336>. | 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_1336>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1336>. | **Token:** <BB_1336>
**SMILES:** Cc1cccc2c(C(=O)O)c[nH]c12
**Molecular Formula:** C10H9NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1337>. | N#Cc1c(NC(=O)CCl)sc2c1CCC2 | |
What is the building block token for the following molecule? | N#Cc1c(NC(=O)CCl)sc2c1CCC2 | <BB_1337> |
What is the molecular formula for <BB_1337>? | The molecular formula for <BB_1337> (N#Cc1c(NC(=O)CCl)sc2c1CCC2) is C10H9ClN2OS. | |
Describe the ring structures in building block <BB_1337>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1337>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1337>. | **Token:** <BB_1337>
**SMILES:** N#Cc1c(NC(=O)CCl)sc2c1CCC2
**Molecular Formula:** C10H9ClN2OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_1338>. | Nc1noc2cccc(I)c12 | |
What is the building block token for the following molecule? | Nc1noc2cccc(I)c12 | <BB_1338> |
What is the molecular formula for <BB_1338>? | The molecular formula for <BB_1338> (Nc1noc2cccc(I)c12) is C7H5IN2O. | |
Describe the ring structures in building block <BB_1338>. | 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_1338>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1338>. | **Token:** <BB_1338>
**SMILES:** Nc1noc2cccc(I)c12
**Molecular Formula:** C7H5IN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1339>. | O/N=C1/CN(Cc2ccccc2)Cc2ccccc21 | |
What is the building block token for the following molecule? | O/N=C1/CN(Cc2ccccc2)Cc2ccccc21 | <BB_1339> |
What is the molecular formula for <BB_1339>? | The molecular formula for <BB_1339> (O/N=C1/CN(Cc2ccccc2)Cc2ccccc21) is C16H16N2O. | |
Describe the ring structures in building block <BB_1339>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1339>. | The molecule contains the following groups: Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1339>. | **Token:** <BB_1339>
**SMILES:** O/N=C1/CN(Cc2ccccc2)Cc2ccccc21
**Molecular Formula:** C16H16N2O
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_1340>. | COC(=O)c1nnn2cc(C)[nH]c(=O)c12 | |
What is the building block token for the following molecule? | COC(=O)c1nnn2cc(C)[nH]c(=O)c12 | <BB_1340> |
What is the molecular formula for <BB_1340>? | The molecular formula for <BB_1340> (COC(=O)c1nnn2cc(C)[nH]c(=O)c12) is C8H8N4O3. | |
Describe the ring structures in building block <BB_1340>. | 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_1340>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1340>. | **Token:** <BB_1340>
**SMILES:** COC(=O)c1nnn2cc(C)[nH]c(=O)c12
**Molecular Formula:** C8H8N4O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1341>. | O=C(O)C1CC(O)CN1S(=O)(=O)c1ccc(F)cc1 | |
What is the building block token for the following molecule? | O=C(O)C1CC(O)CN1S(=O)(=O)c1ccc(F)cc1 | <BB_1341> |
What is the molecular formula for <BB_1341>? | The molecular formula for <BB_1341> (O=C(O)C1CC(O)CN1S(=O)(=O)c1ccc(F)cc1) is C11H12FNO5S. | |
Describe the ring structures in building block <BB_1341>. | 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_1341>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1341>. | **Token:** <BB_1341>
**SMILES:** O=C(O)C1CC(O)CN1S(=O)(=O)c1ccc(F)cc1
**Molecular Formula:** C11H12FNO5S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1342>. | Cc1cc(C2OCCO2)c(C)cc1C=O | |
What is the building block token for the following molecule? | Cc1cc(C2OCCO2)c(C)cc1C=O | <BB_1342> |
What is the molecular formula for <BB_1342>? | The molecular formula for <BB_1342> (Cc1cc(C2OCCO2)c(C)cc1C=O) is C12H14O3. | |
Describe the ring structures in building block <BB_1342>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1342>. | The molecule contains the following groups: Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1342>. | **Token:** <BB_1342>
**SMILES:** Cc1cc(C2OCCO2)c(C)cc1C=O
**Molecular Formula:** C12H14O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_1343>. | Cl.NCC12CCC(F)(CC1)CC2 | |
What is the building block token for the following molecule? | Cl.NCC12CCC(F)(CC1)CC2 | <BB_1343> |
What is the molecular formula for <BB_1343>? | The molecular formula for <BB_1343> (Cl.NCC12CCC(F)(CC1)CC2) is C9H17ClFN. | |
Describe the ring structures in building block <BB_1343>. | The molecule contains 3 ring(s): 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_1343>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1343>. | **Token:** <BB_1343>
**SMILES:** Cl.NCC12CCC(F)(CC1)CC2
**Molecular Formula:** C9H17ClFN
**Ring System:** The molecule contains 3 ring(s): 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_1344>. | CCOC1(C(F)F)CNC1.Cl | |
What is the building block token for the following molecule? | CCOC1(C(F)F)CNC1.Cl | <BB_1344> |
What is the molecular formula for <BB_1344>? | The molecular formula for <BB_1344> (CCOC1(C(F)F)CNC1.Cl) is C6H12ClF2NO. | |
Describe the ring structures in building block <BB_1344>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1344>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1344>. | **Token:** <BB_1344>
**SMILES:** CCOC1(C(F)F)CNC1.Cl
**Molecular Formula:** C6H12ClF2NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1345>. | CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=N)NO)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=N)NO)C1 | <BB_1345> |
What is the molecular formula for <BB_1345>? | The molecular formula for <BB_1345> (CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=N)NO)C1) is C10H19N3O3. | |
Describe the ring structures in building block <BB_1345>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1345>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1345>. | **Token:** <BB_1345>
**SMILES:** CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=N)NO)C1
**Molecular Formula:** C10H19N3O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1346>. | CC1CC(NC(=O)OC(C)(C)C)CCN1 | |
What is the building block token for the following molecule? | CC1CC(NC(=O)OC(C)(C)C)CCN1 | <BB_1346> |
What is the molecular formula for <BB_1346>? | The molecular formula for <BB_1346> (CC1CC(NC(=O)OC(C)(C)C)CCN1) is C11H22N2O2. | |
Describe the ring structures in building block <BB_1346>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1346>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1346>. | **Token:** <BB_1346>
**SMILES:** CC1CC(NC(=O)OC(C)(C)C)CCN1
**Molecular Formula:** C11H22N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1347>. | CC(=O)COc1ccc(Cl)c(Cl)c1 | |
What is the building block token for the following molecule? | CC(=O)COc1ccc(Cl)c(Cl)c1 | <BB_1347> |
What is the molecular formula for <BB_1347>? | The molecular formula for <BB_1347> (CC(=O)COc1ccc(Cl)c(Cl)c1) is C9H8Cl2O2. | |
Describe the ring structures in building block <BB_1347>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1347>. | The molecule contains the following groups: Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1347>. | **Token:** <BB_1347>
**SMILES:** CC(=O)COc1ccc(Cl)c(Cl)c1
**Molecular Formula:** C9H8Cl2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1348>. | COc1ccc(-c2nc(CC(=O)O)cs2)cc1OC | |
What is the building block token for the following molecule? | COc1ccc(-c2nc(CC(=O)O)cs2)cc1OC | <BB_1348> |
What is the molecular formula for <BB_1348>? | The molecular formula for <BB_1348> (COc1ccc(-c2nc(CC(=O)O)cs2)cc1OC) is C13H13NO4S. | |
Describe the ring structures in building block <BB_1348>. | 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_1348>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1348>. | **Token:** <BB_1348>
**SMILES:** COc1ccc(-c2nc(CC(=O)O)cs2)cc1OC
**Molecular Formula:** C13H13NO4S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_1349>. | COC(CO)C1CC1 | |
What is the building block token for the following molecule? | COC(CO)C1CC1 | <BB_1349> |
What is the molecular formula for <BB_1349>? | The molecular formula for <BB_1349> (COC(CO)C1CC1) is C6H12O2. | |
Describe the ring structures in building block <BB_1349>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1349>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1349>. | **Token:** <BB_1349>
**SMILES:** COC(CO)C1CC1
**Molecular Formula:** C6H12O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Alcohol, Ether |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.