instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_1783>? | The molecular formula for <BB_1783> (CC(C)(C)OC(=O)N(CC(=O)O)c1cscn1) is C10H14N2O4S. | |
Describe the ring structures in building block <BB_1783>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1783>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1783>. | **Token:** <BB_1783>
**SMILES:** CC(C)(C)OC(=O)N(CC(=O)O)c1cscn1
**Molecular Formula:** C10H14N2O4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1784>. | FC(F)(F)C1CCC2(CCN2)CC1 | |
What is the building block token for the following molecule? | FC(F)(F)C1CCC2(CCN2)CC1 | <BB_1784> |
What is the molecular formula for <BB_1784>? | The molecular formula for <BB_1784> (FC(F)(F)C1CCC2(CCN2)CC1) is C9H14F3N. | |
Describe the ring structures in building block <BB_1784>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1784>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1784>. | **Token:** <BB_1784>
**SMILES:** FC(F)(F)C1CCC2(CCN2)CC1
**Molecular Formula:** C9H14F3N
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1785>. | CCN(CC)CCCNC(=O)C1CCNCC1 | |
What is the building block token for the following molecule? | CCN(CC)CCCNC(=O)C1CCNCC1 | <BB_1785> |
What is the molecular formula for <BB_1785>? | The molecular formula for <BB_1785> (CCN(CC)CCCNC(=O)C1CCNCC1) is C13H27N3O. | |
Describe the ring structures in building block <BB_1785>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1785>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1785>. | **Token:** <BB_1785>
**SMILES:** CCN(CC)CCCNC(=O)C1CCNCC1
**Molecular Formula:** C13H27N3O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Amide | |
Provide the SMILES representation for the building block token <BB_1786>. | COc1c(N)cc(C(C)(C)C)cc1C(C)(C)C | |
What is the building block token for the following molecule? | COc1c(N)cc(C(C)(C)C)cc1C(C)(C)C | <BB_1786> |
What is the molecular formula for <BB_1786>? | The molecular formula for <BB_1786> (COc1c(N)cc(C(C)(C)C)cc1C(C)(C)C) is C15H25NO. | |
Describe the ring structures in building block <BB_1786>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1786>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1786>. | **Token:** <BB_1786>
**SMILES:** COc1c(N)cc(C(C)(C)C)cc1C(C)(C)C
**Molecular Formula:** C15H25NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1787>. | Cc1nn(-c2ccccc2)nc1C(=O)O | |
What is the building block token for the following molecule? | Cc1nn(-c2ccccc2)nc1C(=O)O | <BB_1787> |
What is the molecular formula for <BB_1787>? | The molecular formula for <BB_1787> (Cc1nn(-c2ccccc2)nc1C(=O)O) is C10H9N3O2. | |
Describe the ring structures in building block <BB_1787>. | 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_1787>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1787>. | **Token:** <BB_1787>
**SMILES:** Cc1nn(-c2ccccc2)nc1C(=O)O
**Molecular Formula:** C10H9N3O2
**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_1788>. | Cl.NCc1cccc(CCC(=O)O)c1 | |
What is the building block token for the following molecule? | Cl.NCc1cccc(CCC(=O)O)c1 | <BB_1788> |
What is the molecular formula for <BB_1788>? | The molecular formula for <BB_1788> (Cl.NCc1cccc(CCC(=O)O)c1) is C10H14ClNO2. | |
Describe the ring structures in building block <BB_1788>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1788>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1788>. | **Token:** <BB_1788>
**SMILES:** Cl.NCc1cccc(CCC(=O)O)c1
**Molecular Formula:** C10H14ClNO2
**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_1789>. | CCC(C)(C(N)=O)C(=O)O | |
What is the building block token for the following molecule? | CCC(C)(C(N)=O)C(=O)O | <BB_1789> |
What is the molecular formula for <BB_1789>? | The molecular formula for <BB_1789> (CCC(C)(C(N)=O)C(=O)O) is C6H11NO3. | |
Describe the ring structures in building block <BB_1789>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1789>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1789>. | **Token:** <BB_1789>
**SMILES:** CCC(C)(C(N)=O)C(=O)O
**Molecular Formula:** C6H11NO3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_1790>. | Cc1ccc(Cl)cc1 | |
What is the building block token for the following molecule? | Cc1ccc(Cl)cc1 | <BB_1790> |
What is the molecular formula for <BB_1790>? | The molecular formula for <BB_1790> (Cc1ccc(Cl)cc1) is C7H7Cl. | |
Describe the ring structures in building block <BB_1790>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1790>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1790>. | **Token:** <BB_1790>
**SMILES:** Cc1ccc(Cl)cc1
**Molecular Formula:** C7H7Cl
**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_1791>. | O=c1cc2c(c[nH]1)CCCC2 | |
What is the building block token for the following molecule? | O=c1cc2c(c[nH]1)CCCC2 | <BB_1791> |
What is the molecular formula for <BB_1791>? | The molecular formula for <BB_1791> (O=c1cc2c(c[nH]1)CCCC2) is C9H11NO. | |
Describe the ring structures in building block <BB_1791>. | 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_1791>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1791>. | **Token:** <BB_1791>
**SMILES:** O=c1cc2c(c[nH]1)CCCC2
**Molecular Formula:** C9H11NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_1792>. | Cc1ncc(CN)o1 | |
What is the building block token for the following molecule? | Cc1ncc(CN)o1 | <BB_1792> |
What is the molecular formula for <BB_1792>? | The molecular formula for <BB_1792> (Cc1ncc(CN)o1) is C5H8N2O. | |
Describe the ring structures in building block <BB_1792>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1792>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1792>. | **Token:** <BB_1792>
**SMILES:** Cc1ncc(CN)o1
**Molecular Formula:** C5H8N2O
**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_1793>. | C[Si](C)(C)c1ccccc1O | |
What is the building block token for the following molecule? | C[Si](C)(C)c1ccccc1O | <BB_1793> |
What is the molecular formula for <BB_1793>? | The molecular formula for <BB_1793> (C[Si](C)(C)c1ccccc1O) is C9H14OSi. | |
Describe the ring structures in building block <BB_1793>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1793>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1793>. | **Token:** <BB_1793>
**SMILES:** C[Si](C)(C)c1ccccc1O
**Molecular Formula:** C9H14OSi
**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_1794>. | Cl.Cl.Cn1ccnc1C(N)C1CC1 | |
What is the building block token for the following molecule? | Cl.Cl.Cn1ccnc1C(N)C1CC1 | <BB_1794> |
What is the molecular formula for <BB_1794>? | The molecular formula for <BB_1794> (Cl.Cl.Cn1ccnc1C(N)C1CC1) is C8H15Cl2N3. | |
Describe the ring structures in building block <BB_1794>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1794>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1794>. | **Token:** <BB_1794>
**SMILES:** Cl.Cl.Cn1ccnc1C(N)C1CC1
**Molecular Formula:** C8H15Cl2N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1795>. | C[C@@H](N=C=O)c1ccc(Br)cc1 | |
What is the building block token for the following molecule? | C[C@@H](N=C=O)c1ccc(Br)cc1 | <BB_1795> |
What is the molecular formula for <BB_1795>? | The molecular formula for <BB_1795> (C[C@@H](N=C=O)c1ccc(Br)cc1) is C9H8BrNO. | |
Describe the ring structures in building block <BB_1795>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1795>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1795>. | **Token:** <BB_1795>
**SMILES:** C[C@@H](N=C=O)c1ccc(Br)cc1
**Molecular Formula:** C9H8BrNO
**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_1796>. | N#Cc1cnc2c(F)cc(Cl)cc2c1Cl | |
What is the building block token for the following molecule? | N#Cc1cnc2c(F)cc(Cl)cc2c1Cl | <BB_1796> |
What is the molecular formula for <BB_1796>? | The molecular formula for <BB_1796> (N#Cc1cnc2c(F)cc(Cl)cc2c1Cl) is C10H3Cl2FN2. | |
Describe the ring structures in building block <BB_1796>. | 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_1796>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1796>. | **Token:** <BB_1796>
**SMILES:** N#Cc1cnc2c(F)cc(Cl)cc2c1Cl
**Molecular Formula:** C10H3Cl2FN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_1797>. | Cc1ccc(Cl)c(C(=O)O)c1C(F)F | |
What is the building block token for the following molecule? | Cc1ccc(Cl)c(C(=O)O)c1C(F)F | <BB_1797> |
What is the molecular formula for <BB_1797>? | The molecular formula for <BB_1797> (Cc1ccc(Cl)c(C(=O)O)c1C(F)F) is C9H7ClF2O2. | |
Describe the ring structures in building block <BB_1797>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1797>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1797>. | **Token:** <BB_1797>
**SMILES:** Cc1ccc(Cl)c(C(=O)O)c1C(F)F
**Molecular Formula:** C9H7ClF2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1798>. | CC(C)(C#N)/N=N/C(C)(C)C#N | |
What is the building block token for the following molecule? | CC(C)(C#N)/N=N/C(C)(C)C#N | <BB_1798> |
What is the molecular formula for <BB_1798>? | The molecular formula for <BB_1798> (CC(C)(C#N)/N=N/C(C)(C)C#N) is C8H12N4. | |
Describe the ring structures in building block <BB_1798>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1798>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1798>. | **Token:** <BB_1798>
**SMILES:** CC(C)(C#N)/N=N/C(C)(C)C#N
**Molecular Formula:** C8H12N4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_1799>. | COC(=O)c1cc(C(=O)O)cc(C(=O)O)c1 | |
What is the building block token for the following molecule? | COC(=O)c1cc(C(=O)O)cc(C(=O)O)c1 | <BB_1799> |
What is the molecular formula for <BB_1799>? | The molecular formula for <BB_1799> (COC(=O)c1cc(C(=O)O)cc(C(=O)O)c1) is C10H8O6. | |
Describe the ring structures in building block <BB_1799>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1799>. | The molecule contains the following groups: Carboxylic Acid, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1799>. | **Token:** <BB_1799>
**SMILES:** COC(=O)c1cc(C(=O)O)cc(C(=O)O)c1
**Molecular Formula:** C10H8O6
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ester, Ether |
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