instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_1800>. | COC(=O)C(O)C1CCCC1 | |
What is the building block token for the following molecule? | COC(=O)C(O)C1CCCC1 | <BB_1800> |
What is the molecular formula for <BB_1800>? | The molecular formula for <BB_1800> (COC(=O)C(O)C1CCCC1) is C8H14O3. | |
Describe the ring structures in building block <BB_1800>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1800>. | The molecule contains the following groups: Ester, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1800>. | **Token:** <BB_1800>
**SMILES:** COC(=O)C(O)C1CCCC1
**Molecular Formula:** C8H14O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Ester, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_1801>. | COC(=O)c1cc(CCCN)on1.Cl | |
What is the building block token for the following molecule? | COC(=O)c1cc(CCCN)on1.Cl | <BB_1801> |
What is the molecular formula for <BB_1801>? | The molecular formula for <BB_1801> (COC(=O)c1cc(CCCN)on1.Cl) is C8H13ClN2O3. | |
Describe the ring structures in building block <BB_1801>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1801>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1801>. | **Token:** <BB_1801>
**SMILES:** COC(=O)c1cc(CCCN)on1.Cl
**Molecular Formula:** C8H13ClN2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1802>. | Cc1nc(-n2cccc2)sc1C(=O)O | |
What is the building block token for the following molecule? | Cc1nc(-n2cccc2)sc1C(=O)O | <BB_1802> |
What is the molecular formula for <BB_1802>? | The molecular formula for <BB_1802> (Cc1nc(-n2cccc2)sc1C(=O)O) is C9H8N2O2S. | |
Describe the ring structures in building block <BB_1802>. | 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_1802>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1802>. | **Token:** <BB_1802>
**SMILES:** Cc1nc(-n2cccc2)sc1C(=O)O
**Molecular Formula:** C9H8N2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1803>. | O=[N+]([O-])c1cc[nH]c1Cl | |
What is the building block token for the following molecule? | O=[N+]([O-])c1cc[nH]c1Cl | <BB_1803> |
What is the molecular formula for <BB_1803>? | The molecular formula for <BB_1803> (O=[N+]([O-])c1cc[nH]c1Cl) is C4H3ClN2O2. | |
Describe the ring structures in building block <BB_1803>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1803>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1803>. | **Token:** <BB_1803>
**SMILES:** O=[N+]([O-])c1cc[nH]c1Cl
**Molecular Formula:** C4H3ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_1804>. | O=C(O)c1ccc(OC(F)F)c(Br)c1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc(OC(F)F)c(Br)c1 | <BB_1804> |
What is the molecular formula for <BB_1804>? | The molecular formula for <BB_1804> (O=C(O)c1ccc(OC(F)F)c(Br)c1) is C8H5BrF2O3. | |
Describe the ring structures in building block <BB_1804>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1804>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1804>. | **Token:** <BB_1804>
**SMILES:** O=C(O)c1ccc(OC(F)F)c(Br)c1
**Molecular Formula:** C8H5BrF2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1805>. | Cn1c(N)c(C(=O)CC#N)c(=O)n(C)c1=O | |
What is the building block token for the following molecule? | Cn1c(N)c(C(=O)CC#N)c(=O)n(C)c1=O | <BB_1805> |
What is the molecular formula for <BB_1805>? | The molecular formula for <BB_1805> (Cn1c(N)c(C(=O)CC#N)c(=O)n(C)c1=O) is C9H10N4O3. | |
Describe the ring structures in building block <BB_1805>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1805>. | The molecule contains the following groups: Amine, Ketone, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1805>. | **Token:** <BB_1805>
**SMILES:** Cn1c(N)c(C(=O)CC#N)c(=O)n(C)c1=O
**Molecular Formula:** C9H10N4O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ketone, Nitrile | |
Provide the SMILES representation for the building block token <BB_1806>. | Cl.Cl.N[C@H](Cc1cn[nH]n1)C(=O)O | |
What is the building block token for the following molecule? | Cl.Cl.N[C@H](Cc1cn[nH]n1)C(=O)O | <BB_1806> |
What is the molecular formula for <BB_1806>? | The molecular formula for <BB_1806> (Cl.Cl.N[C@H](Cc1cn[nH]n1)C(=O)O) is C5H10Cl2N4O2. | |
Describe the ring structures in building block <BB_1806>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1806>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1806>. | **Token:** <BB_1806>
**SMILES:** Cl.Cl.N[C@H](Cc1cn[nH]n1)C(=O)O
**Molecular Formula:** C5H10Cl2N4O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1807>. | Cc1ccc(-c2nc(CCl)co2)cc1 | |
What is the building block token for the following molecule? | Cc1ccc(-c2nc(CCl)co2)cc1 | <BB_1807> |
What is the molecular formula for <BB_1807>? | The molecular formula for <BB_1807> (Cc1ccc(-c2nc(CCl)co2)cc1) is C11H10ClNO. | |
Describe the ring structures in building block <BB_1807>. | 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_1807>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1807>. | **Token:** <BB_1807>
**SMILES:** Cc1ccc(-c2nc(CCl)co2)cc1
**Molecular Formula:** C11H10ClNO
**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_1808>. | Cc1nsc(N(C)CC(N)=O)c1C#N | |
What is the building block token for the following molecule? | Cc1nsc(N(C)CC(N)=O)c1C#N | <BB_1808> |
What is the molecular formula for <BB_1808>? | The molecular formula for <BB_1808> (Cc1nsc(N(C)CC(N)=O)c1C#N) is C8H10N4OS. | |
Describe the ring structures in building block <BB_1808>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1808>. | The molecule contains the following groups: Tertiary Amine, Amide, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1808>. | **Token:** <BB_1808>
**SMILES:** Cc1nsc(N(C)CC(N)=O)c1C#N
**Molecular Formula:** C8H10N4OS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Amide, Nitrile | |
Provide the SMILES representation for the building block token <BB_1809>. | CSc1ccc(N)cn1 | |
What is the building block token for the following molecule? | CSc1ccc(N)cn1 | <BB_1809> |
What is the molecular formula for <BB_1809>? | The molecular formula for <BB_1809> (CSc1ccc(N)cn1) is C6H8N2S. | |
Describe the ring structures in building block <BB_1809>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1809>. | The molecule contains the following groups: Amine, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_1809>. | **Token:** <BB_1809>
**SMILES:** CSc1ccc(N)cn1
**Molecular Formula:** C6H8N2S
**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_1810>. | CNC(c1ccccc1)c1ccc(F)cc1 | |
What is the building block token for the following molecule? | CNC(c1ccccc1)c1ccc(F)cc1 | <BB_1810> |
What is the molecular formula for <BB_1810>? | The molecular formula for <BB_1810> (CNC(c1ccccc1)c1ccc(F)cc1) is C14H14FN. | |
Describe the ring structures in building block <BB_1810>. | 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_1810>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1810>. | **Token:** <BB_1810>
**SMILES:** CNC(c1ccccc1)c1ccc(F)cc1
**Molecular Formula:** C14H14FN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1811>. | FC(F)c1ccc(Br)cc1OC(F)(F)F | |
What is the building block token for the following molecule? | FC(F)c1ccc(Br)cc1OC(F)(F)F | <BB_1811> |
What is the molecular formula for <BB_1811>? | The molecular formula for <BB_1811> (FC(F)c1ccc(Br)cc1OC(F)(F)F) is C8H4BrF5O. | |
Describe the ring structures in building block <BB_1811>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1811>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1811>. | **Token:** <BB_1811>
**SMILES:** FC(F)c1ccc(Br)cc1OC(F)(F)F
**Molecular Formula:** C8H4BrF5O
**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_1812>. | CC(C)CCOc1ccc(C(=O)O)cc1 | |
What is the building block token for the following molecule? | CC(C)CCOc1ccc(C(=O)O)cc1 | <BB_1812> |
What is the molecular formula for <BB_1812>? | The molecular formula for <BB_1812> (CC(C)CCOc1ccc(C(=O)O)cc1) is C12H16O3. | |
Describe the ring structures in building block <BB_1812>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1812>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1812>. | **Token:** <BB_1812>
**SMILES:** CC(C)CCOc1ccc(C(=O)O)cc1
**Molecular Formula:** C12H16O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_1813>. | CCc1nc2ccccn2c1C(=O)O | |
What is the building block token for the following molecule? | CCc1nc2ccccn2c1C(=O)O | <BB_1813> |
What is the molecular formula for <BB_1813>? | The molecular formula for <BB_1813> (CCc1nc2ccccn2c1C(=O)O) is C10H10N2O2. | |
Describe the ring structures in building block <BB_1813>. | 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_1813>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1813>. | **Token:** <BB_1813>
**SMILES:** CCc1nc2ccccn2c1C(=O)O
**Molecular Formula:** C10H10N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1814>. | O=C1CC(c2cccs2)CC(=O)O1 | |
What is the building block token for the following molecule? | O=C1CC(c2cccs2)CC(=O)O1 | <BB_1814> |
What is the molecular formula for <BB_1814>? | The molecular formula for <BB_1814> (O=C1CC(c2cccs2)CC(=O)O1) is C9H8O3S. | |
Describe the ring structures in building block <BB_1814>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1814>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1814>. | **Token:** <BB_1814>
**SMILES:** O=C1CC(c2cccs2)CC(=O)O1
**Molecular Formula:** C9H8O3S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1815>. | COC(=O)CC1(CC(=O)OC)CC1(F)Cl | |
What is the building block token for the following molecule? | COC(=O)CC1(CC(=O)OC)CC1(F)Cl | <BB_1815> |
What is the molecular formula for <BB_1815>? | The molecular formula for <BB_1815> (COC(=O)CC1(CC(=O)OC)CC1(F)Cl) is C9H12ClFO4. | |
Describe the ring structures in building block <BB_1815>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1815>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1815>. | **Token:** <BB_1815>
**SMILES:** COC(=O)CC1(CC(=O)OC)CC1(F)Cl
**Molecular Formula:** C9H12ClFO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1816>. | Cl.O=C(O)[C@H]1COCCCN1 | |
What is the building block token for the following molecule? | Cl.O=C(O)[C@H]1COCCCN1 | <BB_1816> |
What is the molecular formula for <BB_1816>? | The molecular formula for <BB_1816> (Cl.O=C(O)[C@H]1COCCCN1) is C6H12ClNO3. | |
Describe the ring structures in building block <BB_1816>. | The molecule contains 1 ring(s): an aliphatic ring of size 7. |
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