instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_1766>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1766>. | **Token:** <BB_1766>
**SMILES:** NC(C(=O)O)c1ccc(C(F)(F)F)cc1
**Molecular Formula:** C9H8F3NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1767>. | O=C(Cc1ccc(F)cc1)NO | |
What is the building block token for the following molecule? | O=C(Cc1ccc(F)cc1)NO | <BB_1767> |
What is the molecular formula for <BB_1767>? | The molecular formula for <BB_1767> (O=C(Cc1ccc(F)cc1)NO) is C8H8FNO2. | |
Describe the ring structures in building block <BB_1767>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1767>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1767>. | **Token:** <BB_1767>
**SMILES:** O=C(Cc1ccc(F)cc1)NO
**Molecular Formula:** C8H8FNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1768>. | O=[N+]([O-])c1cnc2ccc(C3CCC3)cc2c1Cl | |
What is the building block token for the following molecule? | O=[N+]([O-])c1cnc2ccc(C3CCC3)cc2c1Cl | <BB_1768> |
What is the molecular formula for <BB_1768>? | The molecular formula for <BB_1768> (O=[N+]([O-])c1cnc2ccc(C3CCC3)cc2c1Cl) is C13H11ClN2O2. | |
Describe the ring structures in building block <BB_1768>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1768>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1768>. | **Token:** <BB_1768>
**SMILES:** O=[N+]([O-])c1cnc2ccc(C3CCC3)cc2c1Cl
**Molecular Formula:** C13H11ClN2O2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_1769>. | CC(NC(=O)OC(C)(C)C)c1nc(C(=O)O)c(N)s1 | |
What is the building block token for the following molecule? | CC(NC(=O)OC(C)(C)C)c1nc(C(=O)O)c(N)s1 | <BB_1769> |
What is the molecular formula for <BB_1769>? | The molecular formula for <BB_1769> (CC(NC(=O)OC(C)(C)C)c1nc(C(=O)O)c(N)s1) is C11H17N3O4S. | |
Describe the ring structures in building block <BB_1769>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1769>. | The molecule contains the following groups: Carboxylic Acid, Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1769>. | **Token:** <BB_1769>
**SMILES:** CC(NC(=O)OC(C)(C)C)c1nc(C(=O)O)c(N)s1
**Molecular Formula:** C11H17N3O4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1770>. | CC=CC(=O)C1COCCN1.O=C(O)C(F)(F)F | |
What is the building block token for the following molecule? | CC=CC(=O)C1COCCN1.O=C(O)C(F)(F)F | <BB_1770> |
What is the molecular formula for <BB_1770>? | The molecular formula for <BB_1770> (CC=CC(=O)C1COCCN1.O=C(O)C(F)(F)F) is C10H14F3NO4. | |
Describe the ring structures in building block <BB_1770>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1770>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1770>. | **Token:** <BB_1770>
**SMILES:** CC=CC(=O)C1COCCN1.O=C(O)C(F)(F)F
**Molecular Formula:** C10H14F3NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1771>. | FC(F)(F)Sc1ncc(Br)cn1 | |
What is the building block token for the following molecule? | FC(F)(F)Sc1ncc(Br)cn1 | <BB_1771> |
What is the molecular formula for <BB_1771>? | The molecular formula for <BB_1771> (FC(F)(F)Sc1ncc(Br)cn1) is C5H2BrF3N2S. | |
Describe the ring structures in building block <BB_1771>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1771>. | The molecule contains the following groups: Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1771>. | **Token:** <BB_1771>
**SMILES:** FC(F)(F)Sc1ncc(Br)cn1
**Molecular Formula:** C5H2BrF3N2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1772>. | c1ccc2oc(-c3ncc[nH]3)cc2c1 | |
What is the building block token for the following molecule? | c1ccc2oc(-c3ncc[nH]3)cc2c1 | <BB_1772> |
What is the molecular formula for <BB_1772>? | The molecular formula for <BB_1772> (c1ccc2oc(-c3ncc[nH]3)cc2c1) is C11H8N2O. | |
Describe the ring structures in building block <BB_1772>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1772>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1772>. | **Token:** <BB_1772>
**SMILES:** c1ccc2oc(-c3ncc[nH]3)cc2c1
**Molecular Formula:** C11H8N2O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_1773>. | CC1(C)OB(CCC#N)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(CCC#N)OC1(C)C | <BB_1773> |
What is the molecular formula for <BB_1773>? | The molecular formula for <BB_1773> (CC1(C)OB(CCC#N)OC1(C)C) is C9H16BNO2. | |
Describe the ring structures in building block <BB_1773>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1773>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1773>. | **Token:** <BB_1773>
**SMILES:** CC1(C)OB(CCC#N)OC1(C)C
**Molecular Formula:** C9H16BNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_1774>. | C#CCOC(C)C(=O)O | |
What is the building block token for the following molecule? | C#CCOC(C)C(=O)O | <BB_1774> |
What is the molecular formula for <BB_1774>? | The molecular formula for <BB_1774> (C#CCOC(C)C(=O)O) is C6H8O3. | |
Describe the ring structures in building block <BB_1774>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1774>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1774>. | **Token:** <BB_1774>
**SMILES:** C#CCOC(C)C(=O)O
**Molecular Formula:** C6H8O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_1775>. | Nc1c(F)cccc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | Nc1c(F)cccc1[N+](=O)[O-] | <BB_1775> |
What is the molecular formula for <BB_1775>? | The molecular formula for <BB_1775> (Nc1c(F)cccc1[N+](=O)[O-]) is C6H5FN2O2. | |
Describe the ring structures in building block <BB_1775>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1775>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1775>. | **Token:** <BB_1775>
**SMILES:** Nc1c(F)cccc1[N+](=O)[O-]
**Molecular Formula:** C6H5FN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_1776>. | O=C1CC2(CC2)CN1 | |
What is the building block token for the following molecule? | O=C1CC2(CC2)CN1 | <BB_1776> |
What is the molecular formula for <BB_1776>? | The molecular formula for <BB_1776> (O=C1CC2(CC2)CN1) is C6H9NO. | |
Describe the ring structures in building block <BB_1776>. | 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_1776>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1776>. | **Token:** <BB_1776>
**SMILES:** O=C1CC2(CC2)CN1
**Molecular Formula:** C6H9NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_1777>. | CCc1noc(-c2ccc(C)c(N)c2)n1 | |
What is the building block token for the following molecule? | CCc1noc(-c2ccc(C)c(N)c2)n1 | <BB_1777> |
What is the molecular formula for <BB_1777>? | The molecular formula for <BB_1777> (CCc1noc(-c2ccc(C)c(N)c2)n1) is C11H13N3O. | |
Describe the ring structures in building block <BB_1777>. | 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_1777>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1777>. | **Token:** <BB_1777>
**SMILES:** CCc1noc(-c2ccc(C)c(N)c2)n1
**Molecular Formula:** C11H13N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_1778>. | Cc1ccc(NC2CCC2)cc1 | |
What is the building block token for the following molecule? | Cc1ccc(NC2CCC2)cc1 | <BB_1778> |
What is the molecular formula for <BB_1778>? | The molecular formula for <BB_1778> (Cc1ccc(NC2CCC2)cc1) is C11H15N. | |
Describe the ring structures in building block <BB_1778>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1778>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1778>. | **Token:** <BB_1778>
**SMILES:** Cc1ccc(NC2CCC2)cc1
**Molecular Formula:** C11H15N
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_1779>. | O=S(=O)(F)c1nccs1 | |
What is the building block token for the following molecule? | O=S(=O)(F)c1nccs1 | <BB_1779> |
What is the molecular formula for <BB_1779>? | The molecular formula for <BB_1779> (O=S(=O)(F)c1nccs1) is C3H2FNO2S2. | |
Describe the ring structures in building block <BB_1779>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1779>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1779>. | **Token:** <BB_1779>
**SMILES:** O=S(=O)(F)c1nccs1
**Molecular Formula:** C3H2FNO2S2
**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_1780>. | Fc1cc(Cl)cc(F)c1CBr | |
What is the building block token for the following molecule? | Fc1cc(Cl)cc(F)c1CBr | <BB_1780> |
What is the molecular formula for <BB_1780>? | The molecular formula for <BB_1780> (Fc1cc(Cl)cc(F)c1CBr) is C7H4BrClF2. | |
Describe the ring structures in building block <BB_1780>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1780>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1780>. | **Token:** <BB_1780>
**SMILES:** Fc1cc(Cl)cc(F)c1CBr
**Molecular Formula:** C7H4BrClF2
**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_1781>. | O=C(Nc1ccccc1)Nc1cncnc1 | |
What is the building block token for the following molecule? | O=C(Nc1ccccc1)Nc1cncnc1 | <BB_1781> |
What is the molecular formula for <BB_1781>? | The molecular formula for <BB_1781> (O=C(Nc1ccccc1)Nc1cncnc1) is C11H10N4O. | |
Describe the ring structures in building block <BB_1781>. | 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_1781>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1781>. | **Token:** <BB_1781>
**SMILES:** O=C(Nc1ccccc1)Nc1cncnc1
**Molecular Formula:** C11H10N4O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_1782>. | CC(=O)C(C)Oc1ccc2ccc(=O)oc2c1 | |
What is the building block token for the following molecule? | CC(=O)C(C)Oc1ccc2ccc(=O)oc2c1 | <BB_1782> |
What is the molecular formula for <BB_1782>? | The molecular formula for <BB_1782> (CC(=O)C(C)Oc1ccc2ccc(=O)oc2c1) is C13H12O4. | |
Describe the ring structures in building block <BB_1782>. | 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_1782>. | The molecule contains the following groups: Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1782>. | **Token:** <BB_1782>
**SMILES:** CC(=O)C(C)Oc1ccc2ccc(=O)oc2c1
**Molecular Formula:** C13H12O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_1783>. | CC(C)(C)OC(=O)N(CC(=O)O)c1cscn1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N(CC(=O)O)c1cscn1 | <BB_1783> |
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