instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_9216>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9216>. | **Token:** <BB_9216>
**SMILES:** O=Cc1ccc2[nH]nc(Cl)c2c1
**Molecular Formula:** C8H5ClN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9217>. | CC(C)(CN)c1ccc(F)cn1 | |
What is the building block token for the following molecule? | CC(C)(CN)c1ccc(F)cn1 | <BB_9217> |
What is the molecular formula for <BB_9217>? | The molecular formula for <BB_9217> (CC(C)(CN)c1ccc(F)cn1) is C9H13FN2. | |
Describe the ring structures in building block <BB_9217>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9217>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9217>. | **Token:** <BB_9217>
**SMILES:** CC(C)(CN)c1ccc(F)cn1
**Molecular Formula:** C9H13FN2
**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_9218>. | CC(C)(N)CCc1ccccn1 | |
What is the building block token for the following molecule? | CC(C)(N)CCc1ccccn1 | <BB_9218> |
What is the molecular formula for <BB_9218>? | The molecular formula for <BB_9218> (CC(C)(N)CCc1ccccn1) is C10H16N2. | |
Describe the ring structures in building block <BB_9218>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9218>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9218>. | **Token:** <BB_9218>
**SMILES:** CC(C)(N)CCc1ccccn1
**Molecular Formula:** C10H16N2
**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_9219>. | COc1c(F)ccc(C(C)=O)c1F | |
What is the building block token for the following molecule? | COc1c(F)ccc(C(C)=O)c1F | <BB_9219> |
What is the molecular formula for <BB_9219>? | The molecular formula for <BB_9219> (COc1c(F)ccc(C(C)=O)c1F) is C9H8F2O2. | |
Describe the ring structures in building block <BB_9219>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9219>. | The molecule contains the following groups: Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9219>. | **Token:** <BB_9219>
**SMILES:** COc1c(F)ccc(C(C)=O)c1F
**Molecular Formula:** C9H8F2O2
**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_9220>. | Clc1ccc(COCc2ccc(Cl)cc2Cl)c(Cl)c1 | |
What is the building block token for the following molecule? | Clc1ccc(COCc2ccc(Cl)cc2Cl)c(Cl)c1 | <BB_9220> |
What is the molecular formula for <BB_9220>? | The molecular formula for <BB_9220> (Clc1ccc(COCc2ccc(Cl)cc2Cl)c(Cl)c1) is C14H10Cl4O. | |
Describe the ring structures in building block <BB_9220>. | 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_9220>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9220>. | **Token:** <BB_9220>
**SMILES:** Clc1ccc(COCc2ccc(Cl)cc2Cl)c(Cl)c1
**Molecular Formula:** C14H10Cl4O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9221>. | Cl.ClCc1ccccn1 | |
What is the building block token for the following molecule? | Cl.ClCc1ccccn1 | <BB_9221> |
What is the molecular formula for <BB_9221>? | The molecular formula for <BB_9221> (Cl.ClCc1ccccn1) is C6H7Cl2N. | |
Describe the ring structures in building block <BB_9221>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9221>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9221>. | **Token:** <BB_9221>
**SMILES:** Cl.ClCc1ccccn1
**Molecular Formula:** C6H7Cl2N
**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_9222>. | O=S(=O)(Cl)c1ccc(F)c(I)c1 | |
What is the building block token for the following molecule? | O=S(=O)(Cl)c1ccc(F)c(I)c1 | <BB_9222> |
What is the molecular formula for <BB_9222>? | The molecular formula for <BB_9222> (O=S(=O)(Cl)c1ccc(F)c(I)c1) is C6H3ClFIO2S. | |
Describe the ring structures in building block <BB_9222>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9222>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9222>. | **Token:** <BB_9222>
**SMILES:** O=S(=O)(Cl)c1ccc(F)c(I)c1
**Molecular Formula:** C6H3ClFIO2S
**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_9223>. | Cl.NC1CC2CCC(C1)C2 | |
What is the building block token for the following molecule? | Cl.NC1CC2CCC(C1)C2 | <BB_9223> |
What is the molecular formula for <BB_9223>? | The molecular formula for <BB_9223> (Cl.NC1CC2CCC(C1)C2) is C8H16ClN. | |
Describe the ring structures in building block <BB_9223>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9223>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9223>. | **Token:** <BB_9223>
**SMILES:** Cl.NC1CC2CCC(C1)C2
**Molecular Formula:** C8H16ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9224>. | CC(C)=C(F)CO | |
What is the building block token for the following molecule? | CC(C)=C(F)CO | <BB_9224> |
What is the molecular formula for <BB_9224>? | The molecular formula for <BB_9224> (CC(C)=C(F)CO) is C5H9FO. | |
Describe the ring structures in building block <BB_9224>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9224>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9224>. | **Token:** <BB_9224>
**SMILES:** CC(C)=C(F)CO
**Molecular Formula:** C5H9FO
**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_9225>. | Cl.Cl.NC(CO)CN1CCCCC1 | |
What is the building block token for the following molecule? | Cl.Cl.NC(CO)CN1CCCCC1 | <BB_9225> |
What is the molecular formula for <BB_9225>? | The molecular formula for <BB_9225> (Cl.Cl.NC(CO)CN1CCCCC1) is C8H20Cl2N2O. | |
Describe the ring structures in building block <BB_9225>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9225>. | The molecule contains the following groups: Amine, Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9225>. | **Token:** <BB_9225>
**SMILES:** Cl.Cl.NC(CO)CN1CCCCC1
**Molecular Formula:** C8H20Cl2N2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9226>. | CC(=O)O.CSc1cccc(F)c1C(C)N | |
What is the building block token for the following molecule? | CC(=O)O.CSc1cccc(F)c1C(C)N | <BB_9226> |
What is the molecular formula for <BB_9226>? | The molecular formula for <BB_9226> (CC(=O)O.CSc1cccc(F)c1C(C)N) is C11H16FNO2S. | |
Describe the ring structures in building block <BB_9226>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9226>. | The molecule contains the following groups: Carboxylic Acid, Amine, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9226>. | **Token:** <BB_9226>
**SMILES:** CC(=O)O.CSc1cccc(F)c1C(C)N
**Molecular Formula:** C11H16FNO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9227>. | CC(C)(C)OC(=O)N1CC2(CCN2)C1.Cl | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC2(CCN2)C1.Cl | <BB_9227> |
What is the molecular formula for <BB_9227>? | The molecular formula for <BB_9227> (CC(C)(C)OC(=O)N1CC2(CCN2)C1.Cl) is C10H19ClN2O2. | |
Describe the ring structures in building block <BB_9227>. | 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_9227>. | The molecule contains the following groups: Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9227>. | **Token:** <BB_9227>
**SMILES:** CC(C)(C)OC(=O)N1CC2(CCN2)C1.Cl
**Molecular Formula:** C10H19ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9228>. | O=C(Cc1ccsc1)NCCOCCO | |
What is the building block token for the following molecule? | O=C(Cc1ccsc1)NCCOCCO | <BB_9228> |
What is the molecular formula for <BB_9228>? | The molecular formula for <BB_9228> (O=C(Cc1ccsc1)NCCOCCO) is C10H15NO3S. | |
Describe the ring structures in building block <BB_9228>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9228>. | The molecule contains the following groups: Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9228>. | **Token:** <BB_9228>
**SMILES:** O=C(Cc1ccsc1)NCCOCCO
**Molecular Formula:** C10H15NO3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_9229>. | Brc1ccnc2ccnn12 | |
What is the building block token for the following molecule? | Brc1ccnc2ccnn12 | <BB_9229> |
What is the molecular formula for <BB_9229>? | The molecular formula for <BB_9229> (Brc1ccnc2ccnn12) is C6H4BrN3. | |
Describe the ring structures in building block <BB_9229>. | 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_9229>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9229>. | **Token:** <BB_9229>
**SMILES:** Brc1ccnc2ccnn12
**Molecular Formula:** C6H4BrN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9230>. | CC(=NO)c1sc(N)nc1C | |
What is the building block token for the following molecule? | CC(=NO)c1sc(N)nc1C | <BB_9230> |
What is the molecular formula for <BB_9230>? | The molecular formula for <BB_9230> (CC(=NO)c1sc(N)nc1C) is C6H9N3OS. | |
Describe the ring structures in building block <BB_9230>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9230>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9230>. | **Token:** <BB_9230>
**SMILES:** CC(=NO)c1sc(N)nc1C
**Molecular Formula:** C6H9N3OS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9231>. | CC1CCN(Cc2ccc(Br)cc2)CC1 | |
What is the building block token for the following molecule? | CC1CCN(Cc2ccc(Br)cc2)CC1 | <BB_9231> |
What is the molecular formula for <BB_9231>? | The molecular formula for <BB_9231> (CC1CCN(Cc2ccc(Br)cc2)CC1) is C13H18BrN. | |
Describe the ring structures in building block <BB_9231>. | 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_9231>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9231>. | **Token:** <BB_9231>
**SMILES:** CC1CCN(Cc2ccc(Br)cc2)CC1
**Molecular Formula:** C13H18BrN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9232>. | CCOc1cc(C#N)c(Br)cc1O | |
What is the building block token for the following molecule? | CCOc1cc(C#N)c(Br)cc1O | <BB_9232> |
What is the molecular formula for <BB_9232>? | The molecular formula for <BB_9232> (CCOc1cc(C#N)c(Br)cc1O) is C9H8BrNO2. | |
Describe the ring structures in building block <BB_9232>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9232>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9232>. | **Token:** <BB_9232>
**SMILES:** CCOc1cc(C#N)c(Br)cc1O
**Molecular Formula:** C9H8BrNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_9233>. | Cc1ncc(Br)c(C#N)n1 | |
What is the building block token for the following molecule? | Cc1ncc(Br)c(C#N)n1 | <BB_9233> |
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