instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_9166>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9166>. | **Token:** <BB_9166>
**SMILES:** Cc1c(Br)cnn1C(F)F
**Molecular Formula:** C5H5BrF2N2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9167>. | CN(C)S(=O)(=O)N1CCNCC1 | |
What is the building block token for the following molecule? | CN(C)S(=O)(=O)N1CCNCC1 | <BB_9167> |
What is the molecular formula for <BB_9167>? | The molecular formula for <BB_9167> (CN(C)S(=O)(=O)N1CCNCC1) is C6H15N3O2S. | |
Describe the ring structures in building block <BB_9167>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9167>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9167>. | **Token:** <BB_9167>
**SMILES:** CN(C)S(=O)(=O)N1CCNCC1
**Molecular Formula:** C6H15N3O2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9168>. | COc1ccccc1CCNC(=O)CCl | |
What is the building block token for the following molecule? | COc1ccccc1CCNC(=O)CCl | <BB_9168> |
What is the molecular formula for <BB_9168>? | The molecular formula for <BB_9168> (COc1ccccc1CCNC(=O)CCl) is C11H14ClNO2. | |
Describe the ring structures in building block <BB_9168>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9168>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9168>. | **Token:** <BB_9168>
**SMILES:** COc1ccccc1CCNC(=O)CCl
**Molecular Formula:** C11H14ClNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9169>. | O=C(O)c1cc2ccc(C(F)(F)F)cc2s1 | |
What is the building block token for the following molecule? | O=C(O)c1cc2ccc(C(F)(F)F)cc2s1 | <BB_9169> |
What is the molecular formula for <BB_9169>? | The molecular formula for <BB_9169> (O=C(O)c1cc2ccc(C(F)(F)F)cc2s1) is C10H5F3O2S. | |
Describe the ring structures in building block <BB_9169>. | 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_9169>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9169>. | **Token:** <BB_9169>
**SMILES:** O=C(O)c1cc2ccc(C(F)(F)F)cc2s1
**Molecular Formula:** C10H5F3O2S
**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_9170>. | Nc1cccc(C(=O)Nc2ccc(Br)cn2)c1 | |
What is the building block token for the following molecule? | Nc1cccc(C(=O)Nc2ccc(Br)cn2)c1 | <BB_9170> |
What is the molecular formula for <BB_9170>? | The molecular formula for <BB_9170> (Nc1cccc(C(=O)Nc2ccc(Br)cn2)c1) is C12H10BrN3O. | |
Describe the ring structures in building block <BB_9170>. | 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_9170>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9170>. | **Token:** <BB_9170>
**SMILES:** Nc1cccc(C(=O)Nc2ccc(Br)cn2)c1
**Molecular Formula:** C12H10BrN3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9171>. | Cl.NCc1ccc(-c2ccco2)cc1 | |
What is the building block token for the following molecule? | Cl.NCc1ccc(-c2ccco2)cc1 | <BB_9171> |
What is the molecular formula for <BB_9171>? | The molecular formula for <BB_9171> (Cl.NCc1ccc(-c2ccco2)cc1) is C11H12ClNO. | |
Describe the ring structures in building block <BB_9171>. | 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_9171>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9171>. | **Token:** <BB_9171>
**SMILES:** Cl.NCc1ccc(-c2ccco2)cc1
**Molecular Formula:** C11H12ClNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9172>. | CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1CO | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1CO | <BB_9172> |
What is the molecular formula for <BB_9172>? | The molecular formula for <BB_9172> (CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1CO) is C12H23NO3. | |
Describe the ring structures in building block <BB_9172>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9172>. | The molecule contains the following groups: Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9172>. | **Token:** <BB_9172>
**SMILES:** CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1CO
**Molecular Formula:** C12H23NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_9173>. | Cl.Fc1ccc(F)c(C2CCCNC2)c1 | |
What is the building block token for the following molecule? | Cl.Fc1ccc(F)c(C2CCCNC2)c1 | <BB_9173> |
What is the molecular formula for <BB_9173>? | The molecular formula for <BB_9173> (Cl.Fc1ccc(F)c(C2CCCNC2)c1) is C11H14ClF2N. | |
Describe the ring structures in building block <BB_9173>. | 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_9173>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9173>. | **Token:** <BB_9173>
**SMILES:** Cl.Fc1ccc(F)c(C2CCCNC2)c1
**Molecular Formula:** C11H14ClF2N
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9174>. | Cc1nonc1CS(=O)(=O)[O-].[Na+] | |
What is the building block token for the following molecule? | Cc1nonc1CS(=O)(=O)[O-].[Na+] | <BB_9174> |
What is the molecular formula for <BB_9174>? | The molecular formula for <BB_9174> (Cc1nonc1CS(=O)(=O)[O-].[Na+]) is C4H5N2NaO4S. | |
Describe the ring structures in building block <BB_9174>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9174>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9174>. | **Token:** <BB_9174>
**SMILES:** Cc1nonc1CS(=O)(=O)[O-].[Na+]
**Molecular Formula:** C4H5N2NaO4S
**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_9175>. | O=C(O)C(=O)Nc1cccc(C(F)(F)F)c1 | |
What is the building block token for the following molecule? | O=C(O)C(=O)Nc1cccc(C(F)(F)F)c1 | <BB_9175> |
What is the molecular formula for <BB_9175>? | The molecular formula for <BB_9175> (O=C(O)C(=O)Nc1cccc(C(F)(F)F)c1) is C9H6F3NO3. | |
Describe the ring structures in building block <BB_9175>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9175>. | The molecule contains the following groups: Carboxylic Acid, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9175>. | **Token:** <BB_9175>
**SMILES:** O=C(O)C(=O)Nc1cccc(C(F)(F)F)c1
**Molecular Formula:** C9H6F3NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9176>. | Cl.NCc1cc(-c2cccs2)on1 | |
What is the building block token for the following molecule? | Cl.NCc1cc(-c2cccs2)on1 | <BB_9176> |
What is the molecular formula for <BB_9176>? | The molecular formula for <BB_9176> (Cl.NCc1cc(-c2cccs2)on1) is C8H9ClN2OS. | |
Describe the ring structures in building block <BB_9176>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9176>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9176>. | **Token:** <BB_9176>
**SMILES:** Cl.NCc1cc(-c2cccs2)on1
**Molecular Formula:** C8H9ClN2OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9177>. | Cc1cc(N)ncc1S(N)(=O)=O | |
What is the building block token for the following molecule? | Cc1cc(N)ncc1S(N)(=O)=O | <BB_9177> |
What is the molecular formula for <BB_9177>? | The molecular formula for <BB_9177> (Cc1cc(N)ncc1S(N)(=O)=O) is C6H9N3O2S. | |
Describe the ring structures in building block <BB_9177>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9177>. | The molecule contains the following groups: Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9177>. | **Token:** <BB_9177>
**SMILES:** Cc1cc(N)ncc1S(N)(=O)=O
**Molecular Formula:** C6H9N3O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9178>. | COC1(CNC(=O)OC(C)(C)C)CNC1 | |
What is the building block token for the following molecule? | COC1(CNC(=O)OC(C)(C)C)CNC1 | <BB_9178> |
What is the molecular formula for <BB_9178>? | The molecular formula for <BB_9178> (COC1(CNC(=O)OC(C)(C)C)CNC1) is C10H20N2O3. | |
Describe the ring structures in building block <BB_9178>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9178>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9178>. | **Token:** <BB_9178>
**SMILES:** COC1(CNC(=O)OC(C)(C)C)CNC1
**Molecular Formula:** C10H20N2O3
**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_9179>. | Cl.NC1CC2CC1CC2F | |
What is the building block token for the following molecule? | Cl.NC1CC2CC1CC2F | <BB_9179> |
What is the molecular formula for <BB_9179>? | The molecular formula for <BB_9179> (Cl.NC1CC2CC1CC2F) is C7H13ClFN. | |
Describe the ring structures in building block <BB_9179>. | 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_9179>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9179>. | **Token:** <BB_9179>
**SMILES:** Cl.NC1CC2CC1CC2F
**Molecular Formula:** C7H13ClFN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9180>. | O=C(O)Cn1nc(C(F)(F)F)c2c1CCOC2 | |
What is the building block token for the following molecule? | O=C(O)Cn1nc(C(F)(F)F)c2c1CCOC2 | <BB_9180> |
What is the molecular formula for <BB_9180>? | The molecular formula for <BB_9180> (O=C(O)Cn1nc(C(F)(F)F)c2c1CCOC2) is C9H9F3N2O3. | |
Describe the ring structures in building block <BB_9180>. | 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_9180>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9180>. | **Token:** <BB_9180>
**SMILES:** O=C(O)Cn1nc(C(F)(F)F)c2c1CCOC2
**Molecular Formula:** C9H9F3N2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9181>. | FC(F)(F)C1(c2ccc(I)cc2)N=N1 | |
What is the building block token for the following molecule? | FC(F)(F)C1(c2ccc(I)cc2)N=N1 | <BB_9181> |
What is the molecular formula for <BB_9181>? | The molecular formula for <BB_9181> (FC(F)(F)C1(c2ccc(I)cc2)N=N1) is C8H4F3IN2. | |
Describe the ring structures in building block <BB_9181>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9181>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9181>. | **Token:** <BB_9181>
**SMILES:** FC(F)(F)C1(c2ccc(I)cc2)N=N1
**Molecular Formula:** C8H4F3IN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9182>. | CC(=O)c1ccc(N)cc1O | |
What is the building block token for the following molecule? | CC(=O)c1ccc(N)cc1O | <BB_9182> |
What is the molecular formula for <BB_9182>? | The molecular formula for <BB_9182> (CC(=O)c1ccc(N)cc1O) is C8H9NO2. | |
Describe the ring structures in building block <BB_9182>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9182>. | The molecule contains the following groups: Amine, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_9182>. | **Token:** <BB_9182>
**SMILES:** CC(=O)c1ccc(N)cc1O
**Molecular Formula:** C8H9NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ketone | |
Provide the SMILES representation for the building block token <BB_9183>. | Cl.FC12CCC(CN1)C2 | |
What is the building block token for the following molecule? | Cl.FC12CCC(CN1)C2 | <BB_9183> |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.