instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_2216>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2216>. | **Token:** <BB_2216>
**SMILES:** CC1(C)CC(N)CC(C)(C)O1
**Molecular Formula:** C9H19NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2217>. | N#CCN1CCCc2ccccc21 | |
What is the building block token for the following molecule? | N#CCN1CCCc2ccccc21 | <BB_2217> |
What is the molecular formula for <BB_2217>? | The molecular formula for <BB_2217> (N#CCN1CCCc2ccccc21) is C11H12N2. | |
Describe the ring structures in building block <BB_2217>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2217>. | The molecule contains the following groups: Tertiary Amine, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2217>. | **Token:** <BB_2217>
**SMILES:** N#CCN1CCCc2ccccc21
**Molecular Formula:** C11H12N2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Nitrile | |
Provide the SMILES representation for the building block token <BB_2218>. | Cl.NCC1(c2ccc(Br)cc2)CCOCC1 | |
What is the building block token for the following molecule? | Cl.NCC1(c2ccc(Br)cc2)CCOCC1 | <BB_2218> |
What is the molecular formula for <BB_2218>? | The molecular formula for <BB_2218> (Cl.NCC1(c2ccc(Br)cc2)CCOCC1) is C12H17BrClNO. | |
Describe the ring structures in building block <BB_2218>. | 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_2218>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2218>. | **Token:** <BB_2218>
**SMILES:** Cl.NCC1(c2ccc(Br)cc2)CCOCC1
**Molecular Formula:** C12H17BrClNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, 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_2219>. | CCc1cc(Oc2ccc(F)cc2C=O)ccc1Cl | |
What is the building block token for the following molecule? | CCc1cc(Oc2ccc(F)cc2C=O)ccc1Cl | <BB_2219> |
What is the molecular formula for <BB_2219>? | The molecular formula for <BB_2219> (CCc1cc(Oc2ccc(F)cc2C=O)ccc1Cl) is C15H12ClFO2. | |
Describe the ring structures in building block <BB_2219>. | 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_2219>. | The molecule contains the following groups: Aldehyde, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2219>. | **Token:** <BB_2219>
**SMILES:** CCc1cc(Oc2ccc(F)cc2C=O)ccc1Cl
**Molecular Formula:** C15H12ClFO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2220>. | CC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 | |
What is the building block token for the following molecule? | CC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 | <BB_2220> |
What is the molecular formula for <BB_2220>? | The molecular formula for <BB_2220> (CC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1) is C13H18BNO3. | |
Describe the ring structures in building block <BB_2220>. | 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_2220>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_2220>. | **Token:** <BB_2220>
**SMILES:** CC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1
**Molecular Formula:** C13H18BNO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_2221>. | CC1(C)CC2(CC(C(=O)O)C2)C1 | |
What is the building block token for the following molecule? | CC1(C)CC2(CC(C(=O)O)C2)C1 | <BB_2221> |
What is the molecular formula for <BB_2221>? | The molecular formula for <BB_2221> (CC1(C)CC2(CC(C(=O)O)C2)C1) is C10H16O2. | |
Describe the ring structures in building block <BB_2221>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2221>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2221>. | **Token:** <BB_2221>
**SMILES:** CC1(C)CC2(CC(C(=O)O)C2)C1
**Molecular Formula:** C10H16O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2222>. | Cc1c(C(=O)O)sc2ncnc(N)c12 | |
What is the building block token for the following molecule? | Cc1c(C(=O)O)sc2ncnc(N)c12 | <BB_2222> |
What is the molecular formula for <BB_2222>? | The molecular formula for <BB_2222> (Cc1c(C(=O)O)sc2ncnc(N)c12) is C8H7N3O2S. | |
Describe the ring structures in building block <BB_2222>. | 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_2222>. | The molecule contains the following groups: Carboxylic Acid, Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2222>. | **Token:** <BB_2222>
**SMILES:** Cc1c(C(=O)O)sc2ncnc(N)c12
**Molecular Formula:** C8H7N3O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine | |
Provide the SMILES representation for the building block token <BB_2223>. | O=CC(C=O)c1ccccc1 | |
What is the building block token for the following molecule? | O=CC(C=O)c1ccccc1 | <BB_2223> |
What is the molecular formula for <BB_2223>? | The molecular formula for <BB_2223> (O=CC(C=O)c1ccccc1) is C9H8O2. | |
Describe the ring structures in building block <BB_2223>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2223>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_2223>. | **Token:** <BB_2223>
**SMILES:** O=CC(C=O)c1ccccc1
**Molecular Formula:** C9H8O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_2224>. | NC1CCCN2CCCCC12 | |
What is the building block token for the following molecule? | NC1CCCN2CCCCC12 | <BB_2224> |
What is the molecular formula for <BB_2224>? | The molecular formula for <BB_2224> (NC1CCCN2CCCCC12) is C9H18N2. | |
Describe the ring structures in building block <BB_2224>. | 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_2224>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2224>. | **Token:** <BB_2224>
**SMILES:** NC1CCCN2CCCCC12
**Molecular Formula:** C9H18N2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_2225>. | COC(=O)C(C)(N)Cc1ccccc1 | |
What is the building block token for the following molecule? | COC(=O)C(C)(N)Cc1ccccc1 | <BB_2225> |
What is the molecular formula for <BB_2225>? | The molecular formula for <BB_2225> (COC(=O)C(C)(N)Cc1ccccc1) is C11H15NO2. | |
Describe the ring structures in building block <BB_2225>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2225>. | The molecule contains the following groups: Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2225>. | **Token:** <BB_2225>
**SMILES:** COC(=O)C(C)(N)Cc1ccccc1
**Molecular Formula:** C11H15NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2226>. | COC(=O)c1cc(S(=O)(=O)Cl)nn1C | |
What is the building block token for the following molecule? | COC(=O)c1cc(S(=O)(=O)Cl)nn1C | <BB_2226> |
What is the molecular formula for <BB_2226>? | The molecular formula for <BB_2226> (COC(=O)c1cc(S(=O)(=O)Cl)nn1C) is C6H7ClN2O4S. | |
Describe the ring structures in building block <BB_2226>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2226>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2226>. | **Token:** <BB_2226>
**SMILES:** COC(=O)c1cc(S(=O)(=O)Cl)nn1C
**Molecular Formula:** C6H7ClN2O4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2227>. | Cl.Cl.NCc1cn2c(C(F)(F)F)cccc2n1 | |
What is the building block token for the following molecule? | Cl.Cl.NCc1cn2c(C(F)(F)F)cccc2n1 | <BB_2227> |
What is the molecular formula for <BB_2227>? | The molecular formula for <BB_2227> (Cl.Cl.NCc1cn2c(C(F)(F)F)cccc2n1) is C9H10Cl2F3N3. | |
Describe the ring structures in building block <BB_2227>. | 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_2227>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2227>. | **Token:** <BB_2227>
**SMILES:** Cl.Cl.NCc1cn2c(C(F)(F)F)cccc2n1
**Molecular Formula:** C9H10Cl2F3N3
**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_2228>. | COc1cc(Cl)c(Cl)cn1 | |
What is the building block token for the following molecule? | COc1cc(Cl)c(Cl)cn1 | <BB_2228> |
What is the molecular formula for <BB_2228>? | The molecular formula for <BB_2228> (COc1cc(Cl)c(Cl)cn1) is C6H5Cl2NO. | |
Describe the ring structures in building block <BB_2228>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2228>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2228>. | **Token:** <BB_2228>
**SMILES:** COc1cc(Cl)c(Cl)cn1
**Molecular Formula:** C6H5Cl2NO
**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_2229>. | Cc1cc(-c2oncc2C)ccc1O | |
What is the building block token for the following molecule? | Cc1cc(-c2oncc2C)ccc1O | <BB_2229> |
What is the molecular formula for <BB_2229>? | The molecular formula for <BB_2229> (Cc1cc(-c2oncc2C)ccc1O) is C11H11NO2. | |
Describe the ring structures in building block <BB_2229>. | 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_2229>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2229>. | **Token:** <BB_2229>
**SMILES:** Cc1cc(-c2oncc2C)ccc1O
**Molecular Formula:** C11H11NO2
**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_2230>. | Oc1ccncc1 | |
What is the building block token for the following molecule? | Oc1ccncc1 | <BB_2230> |
What is the molecular formula for <BB_2230>? | The molecular formula for <BB_2230> (Oc1ccncc1) is C5H5NO. | |
Describe the ring structures in building block <BB_2230>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2230>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2230>. | **Token:** <BB_2230>
**SMILES:** Oc1ccncc1
**Molecular Formula:** C5H5NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2231>. | COC(=O)c1ccc(F)cc1OC | |
What is the building block token for the following molecule? | COC(=O)c1ccc(F)cc1OC | <BB_2231> |
What is the molecular formula for <BB_2231>? | The molecular formula for <BB_2231> (COC(=O)c1ccc(F)cc1OC) is C9H9FO3. | |
Describe the ring structures in building block <BB_2231>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2231>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2231>. | **Token:** <BB_2231>
**SMILES:** COC(=O)c1ccc(F)cc1OC
**Molecular Formula:** C9H9FO3
**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_2232>. | C=C(CN)C1CCOCC1.Cl | |
What is the building block token for the following molecule? | C=C(CN)C1CCOCC1.Cl | <BB_2232> |
What is the molecular formula for <BB_2232>? | The molecular formula for <BB_2232> (C=C(CN)C1CCOCC1.Cl) is C8H16ClNO. | |
Describe the ring structures in building block <BB_2232>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2232>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2232>. | **Token:** <BB_2232>
**SMILES:** C=C(CN)C1CCOCC1.Cl
**Molecular Formula:** C8H16ClNO
**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_2233>. | CCOC(C#N)OCC | |
What is the building block token for the following molecule? | CCOC(C#N)OCC | <BB_2233> |
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