instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_1900>. | CCCOCBr | |
What is the building block token for the following molecule? | CCCOCBr | <BB_1900> |
What is the molecular formula for <BB_1900>? | The molecular formula for <BB_1900> (CCCOCBr) is C4H9BrO. | |
Describe the ring structures in building block <BB_1900>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1900>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1900>. | **Token:** <BB_1900>
**SMILES:** CCCOCBr
**Molecular Formula:** C4H9BrO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1901>. | N#CC1(c2ccc(OC(F)F)cc2)CC2(COC2)C1 | |
What is the building block token for the following molecule? | N#CC1(c2ccc(OC(F)F)cc2)CC2(COC2)C1 | <BB_1901> |
What is the molecular formula for <BB_1901>? | The molecular formula for <BB_1901> (N#CC1(c2ccc(OC(F)F)cc2)CC2(COC2)C1) is C14H13F2NO2. | |
Describe the ring structures in building block <BB_1901>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1901>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1901>. | **Token:** <BB_1901>
**SMILES:** N#CC1(c2ccc(OC(F)F)cc2)CC2(COC2)C1
**Molecular Formula:** C14H13F2NO2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_1902>. | CC(C)(C)OC(=O)N1CC[C@]2(C(=O)O)C[C@H]12 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC[C@]2(C(=O)O)C[C@H]12 | <BB_1902> |
What is the molecular formula for <BB_1902>? | The molecular formula for <BB_1902> (CC(C)(C)OC(=O)N1CC[C@]2(C(=O)O)C[C@H]12) is C11H17NO4. | |
Describe the ring structures in building block <BB_1902>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1902>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1902>. | **Token:** <BB_1902>
**SMILES:** CC(C)(C)OC(=O)N1CC[C@]2(C(=O)O)C[C@H]12
**Molecular Formula:** C11H17NO4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1903>. | OC1C2CCC1C2 | |
What is the building block token for the following molecule? | OC1C2CCC1C2 | <BB_1903> |
What is the molecular formula for <BB_1903>? | The molecular formula for <BB_1903> (OC1C2CCC1C2) is C6H10O. | |
Describe the ring structures in building block <BB_1903>. | The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1903>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_1903>. | **Token:** <BB_1903>
**SMILES:** OC1C2CCC1C2
**Molecular Formula:** C6H10O
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_1904>. | Cl.OCC1(CCl)CCNCC1 | |
What is the building block token for the following molecule? | Cl.OCC1(CCl)CCNCC1 | <BB_1904> |
What is the molecular formula for <BB_1904>? | The molecular formula for <BB_1904> (Cl.OCC1(CCl)CCNCC1) is C7H15Cl2NO. | |
Describe the ring structures in building block <BB_1904>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1904>. | The molecule contains the following groups: Secondary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1904>. | **Token:** <BB_1904>
**SMILES:** Cl.OCC1(CCl)CCNCC1
**Molecular Formula:** C7H15Cl2NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1905>. | Cc1c(C)c(O)c(C=O)c(C)c1O | |
What is the building block token for the following molecule? | Cc1c(C)c(O)c(C=O)c(C)c1O | <BB_1905> |
What is the molecular formula for <BB_1905>? | The molecular formula for <BB_1905> (Cc1c(C)c(O)c(C=O)c(C)c1O) is C10H12O3. | |
Describe the ring structures in building block <BB_1905>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1905>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_1905>. | **Token:** <BB_1905>
**SMILES:** Cc1c(C)c(O)c(C=O)c(C)c1O
**Molecular Formula:** C10H12O3
**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_1906>. | CCOC(=O)CC(=O)c1ccc(Br)cn1 | |
What is the building block token for the following molecule? | CCOC(=O)CC(=O)c1ccc(Br)cn1 | <BB_1906> |
What is the molecular formula for <BB_1906>? | The molecular formula for <BB_1906> (CCOC(=O)CC(=O)c1ccc(Br)cn1) is C10H10BrNO3. | |
Describe the ring structures in building block <BB_1906>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1906>. | The molecule contains the following groups: Ester, Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1906>. | **Token:** <BB_1906>
**SMILES:** CCOC(=O)CC(=O)c1ccc(Br)cn1
**Molecular Formula:** C10H10BrNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1907>. | CSCC(N)c1ccccc1 | |
What is the building block token for the following molecule? | CSCC(N)c1ccccc1 | <BB_1907> |
What is the molecular formula for <BB_1907>? | The molecular formula for <BB_1907> (CSCC(N)c1ccccc1) is C9H13NS. | |
Describe the ring structures in building block <BB_1907>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1907>. | The molecule contains the following groups: Amine, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_1907>. | **Token:** <BB_1907>
**SMILES:** CSCC(N)c1ccccc1
**Molecular Formula:** C9H13NS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Sulfide | |
Provide the SMILES representation for the building block token <BB_1908>. | CCOC(=O)C(C)OC(=O)C(C)O | |
What is the building block token for the following molecule? | CCOC(=O)C(C)OC(=O)C(C)O | <BB_1908> |
What is the molecular formula for <BB_1908>? | The molecular formula for <BB_1908> (CCOC(=O)C(C)OC(=O)C(C)O) is C8H14O5. | |
Describe the ring structures in building block <BB_1908>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1908>. | The molecule contains the following groups: Ester, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1908>. | **Token:** <BB_1908>
**SMILES:** CCOC(=O)C(C)OC(=O)C(C)O
**Molecular Formula:** C8H14O5
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_1909>. | O=C(O)c1cccc(COC2CCOCC2)c1 | |
What is the building block token for the following molecule? | O=C(O)c1cccc(COC2CCOCC2)c1 | <BB_1909> |
What is the molecular formula for <BB_1909>? | The molecular formula for <BB_1909> (O=C(O)c1cccc(COC2CCOCC2)c1) is C13H16O4. | |
Describe the ring structures in building block <BB_1909>. | 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_1909>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1909>. | **Token:** <BB_1909>
**SMILES:** O=C(O)c1cccc(COC2CCOCC2)c1
**Molecular Formula:** C13H16O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_1910>. | CCOC(=O)C(=O)c1ccnn1C | |
What is the building block token for the following molecule? | CCOC(=O)C(=O)c1ccnn1C | <BB_1910> |
What is the molecular formula for <BB_1910>? | The molecular formula for <BB_1910> (CCOC(=O)C(=O)c1ccnn1C) is C8H10N2O3. | |
Describe the ring structures in building block <BB_1910>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1910>. | The molecule contains the following groups: Ester, Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1910>. | **Token:** <BB_1910>
**SMILES:** CCOC(=O)C(=O)c1ccnn1C
**Molecular Formula:** C8H10N2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_1911>. | Cl.NC1CCCC2(CNC(=O)C2)C1 | |
What is the building block token for the following molecule? | Cl.NC1CCCC2(CNC(=O)C2)C1 | <BB_1911> |
What is the molecular formula for <BB_1911>? | The molecular formula for <BB_1911> (Cl.NC1CCCC2(CNC(=O)C2)C1) is C9H17ClN2O. | |
Describe the ring structures in building block <BB_1911>. | 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_1911>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1911>. | **Token:** <BB_1911>
**SMILES:** Cl.NC1CCCC2(CNC(=O)C2)C1
**Molecular Formula:** C9H17ClN2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1912>. | O=C(O)c1sccc1SC(F)F | |
What is the building block token for the following molecule? | O=C(O)c1sccc1SC(F)F | <BB_1912> |
What is the molecular formula for <BB_1912>? | The molecular formula for <BB_1912> (O=C(O)c1sccc1SC(F)F) is C6H4F2O2S2. | |
Describe the ring structures in building block <BB_1912>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1912>. | The molecule contains the following groups: Carboxylic Acid, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1912>. | **Token:** <BB_1912>
**SMILES:** O=C(O)c1sccc1SC(F)F
**Molecular Formula:** C6H4F2O2S2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1913>. | O=C1CCOc2cc(Cl)c(Cl)cc21 | |
What is the building block token for the following molecule? | O=C1CCOc2cc(Cl)c(Cl)cc21 | <BB_1913> |
What is the molecular formula for <BB_1913>? | The molecular formula for <BB_1913> (O=C1CCOc2cc(Cl)c(Cl)cc21) is C9H6Cl2O2. | |
Describe the ring structures in building block <BB_1913>. | 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_1913>. | The molecule contains the following groups: Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1913>. | **Token:** <BB_1913>
**SMILES:** O=C1CCOc2cc(Cl)c(Cl)cc21
**Molecular Formula:** C9H6Cl2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, 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_1914>. | COCCCN1Cc2ccc(N)cc2C1 | |
What is the building block token for the following molecule? | COCCCN1Cc2ccc(N)cc2C1 | <BB_1914> |
What is the molecular formula for <BB_1914>? | The molecular formula for <BB_1914> (COCCCN1Cc2ccc(N)cc2C1) is C12H18N2O. | |
Describe the ring structures in building block <BB_1914>. | 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_1914>. | The molecule contains the following groups: Amine, Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1914>. | **Token:** <BB_1914>
**SMILES:** COCCCN1Cc2ccc(N)cc2C1
**Molecular Formula:** C12H18N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1915>. | Cl.N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 | |
What is the building block token for the following molecule? | Cl.N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 | <BB_1915> |
What is the molecular formula for <BB_1915>? | The molecular formula for <BB_1915> (Cl.N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1) is C12H15ClF3N. | |
Describe the ring structures in building block <BB_1915>. | 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_1915>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1915>. | **Token:** <BB_1915>
**SMILES:** Cl.N[C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1
**Molecular Formula:** C12H15ClF3N
**Ring System:** The molecule contains 2 ring(s): an aliphatic 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_1916>. | Cl.Nc1cccc(Nc2ccccc2)n1 | |
What is the building block token for the following molecule? | Cl.Nc1cccc(Nc2ccccc2)n1 | <BB_1916> |
What is the molecular formula for <BB_1916>? | The molecular formula for <BB_1916> (Cl.Nc1cccc(Nc2ccccc2)n1) is C11H12ClN3. | |
Describe the ring structures in building block <BB_1916>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6. |
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