instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_1816>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1816>. | **Token:** <BB_1816>
**SMILES:** Cl.O=C(O)[C@H]1COCCCN1
**Molecular Formula:** C6H12ClNO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1817>. | Cn1cc(C=O)c2ccnc(Cl)c21 | |
What is the building block token for the following molecule? | Cn1cc(C=O)c2ccnc(Cl)c21 | <BB_1817> |
What is the molecular formula for <BB_1817>? | The molecular formula for <BB_1817> (Cn1cc(C=O)c2ccnc(Cl)c21) is C9H7ClN2O. | |
Describe the ring structures in building block <BB_1817>. | 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_1817>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1817>. | **Token:** <BB_1817>
**SMILES:** Cn1cc(C=O)c2ccnc(Cl)c21
**Molecular Formula:** C9H7ClN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1818>. | CN[C@H]1CC[C@@H](O)CC1.Cl | |
What is the building block token for the following molecule? | CN[C@H]1CC[C@@H](O)CC1.Cl | <BB_1818> |
What is the molecular formula for <BB_1818>? | The molecular formula for <BB_1818> (CN[C@H]1CC[C@@H](O)CC1.Cl) is C7H16ClNO. | |
Describe the ring structures in building block <BB_1818>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1818>. | The molecule contains the following groups: Secondary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1818>. | **Token:** <BB_1818>
**SMILES:** CN[C@H]1CC[C@@H](O)CC1.Cl
**Molecular Formula:** C7H16ClNO
**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_1819>. | CC(C)C1(O)COC1 | |
What is the building block token for the following molecule? | CC(C)C1(O)COC1 | <BB_1819> |
What is the molecular formula for <BB_1819>? | The molecular formula for <BB_1819> (CC(C)C1(O)COC1) is C6H12O2. | |
Describe the ring structures in building block <BB_1819>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1819>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1819>. | **Token:** <BB_1819>
**SMILES:** CC(C)C1(O)COC1
**Molecular Formula:** C6H12O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_1820>. | Cl.Cl.NCCNC(=O)c1cnccn1 | |
What is the building block token for the following molecule? | Cl.Cl.NCCNC(=O)c1cnccn1 | <BB_1820> |
What is the molecular formula for <BB_1820>? | The molecular formula for <BB_1820> (Cl.Cl.NCCNC(=O)c1cnccn1) is C7H12Cl2N4O. | |
Describe the ring structures in building block <BB_1820>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1820>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1820>. | **Token:** <BB_1820>
**SMILES:** Cl.Cl.NCCNC(=O)c1cnccn1
**Molecular Formula:** C7H12Cl2N4O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1821>. | Cc1cccc2c(C=O)n[nH]c12 | |
What is the building block token for the following molecule? | Cc1cccc2c(C=O)n[nH]c12 | <BB_1821> |
What is the molecular formula for <BB_1821>? | The molecular formula for <BB_1821> (Cc1cccc2c(C=O)n[nH]c12) is C9H8N2O. | |
Describe the ring structures in building block <BB_1821>. | 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_1821>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_1821>. | **Token:** <BB_1821>
**SMILES:** Cc1cccc2c(C=O)n[nH]c12
**Molecular Formula:** C9H8N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_1822>. | Cl.Cl.Cn1cncc1[C@@H]1C[C@H]1N | |
What is the building block token for the following molecule? | Cl.Cl.Cn1cncc1[C@@H]1C[C@H]1N | <BB_1822> |
What is the molecular formula for <BB_1822>? | The molecular formula for <BB_1822> (Cl.Cl.Cn1cncc1[C@@H]1C[C@H]1N) is C7H13Cl2N3. | |
Describe the ring structures in building block <BB_1822>. | 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_1822>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1822>. | **Token:** <BB_1822>
**SMILES:** Cl.Cl.Cn1cncc1[C@@H]1C[C@H]1N
**Molecular Formula:** C7H13Cl2N3
**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_1823>. | COc1cccc(I)c1C=O | |
What is the building block token for the following molecule? | COc1cccc(I)c1C=O | <BB_1823> |
What is the molecular formula for <BB_1823>? | The molecular formula for <BB_1823> (COc1cccc(I)c1C=O) is C8H7IO2. | |
Describe the ring structures in building block <BB_1823>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1823>. | The molecule contains the following groups: Aldehyde, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1823>. | **Token:** <BB_1823>
**SMILES:** COc1cccc(I)c1C=O
**Molecular Formula:** C8H7IO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1824>. | CC1(C)CCC(=O)NC1 | |
What is the building block token for the following molecule? | CC1(C)CCC(=O)NC1 | <BB_1824> |
What is the molecular formula for <BB_1824>? | The molecular formula for <BB_1824> (CC1(C)CCC(=O)NC1) is C7H13NO. | |
Describe the ring structures in building block <BB_1824>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1824>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1824>. | **Token:** <BB_1824>
**SMILES:** CC1(C)CCC(=O)NC1
**Molecular Formula:** C7H13NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_1825>. | O=Cc1cccc(-n2cccn2)c1O | |
What is the building block token for the following molecule? | O=Cc1cccc(-n2cccn2)c1O | <BB_1825> |
What is the molecular formula for <BB_1825>? | The molecular formula for <BB_1825> (O=Cc1cccc(-n2cccn2)c1O) is C10H8N2O2. | |
Describe the ring structures in building block <BB_1825>. | 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_1825>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_1825>. | **Token:** <BB_1825>
**SMILES:** O=Cc1cccc(-n2cccn2)c1O
**Molecular Formula:** C10H8N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_1826>. | CC(C#N)c1cccs1 | |
What is the building block token for the following molecule? | CC(C#N)c1cccs1 | <BB_1826> |
What is the molecular formula for <BB_1826>? | The molecular formula for <BB_1826> (CC(C#N)c1cccs1) is C7H7NS. | |
Describe the ring structures in building block <BB_1826>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1826>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1826>. | **Token:** <BB_1826>
**SMILES:** CC(C#N)c1cccs1
**Molecular Formula:** C7H7NS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_1827>. | O=C(O)[C@]1(c2ccc(Cl)cc2)C[C@H](O)C1 | |
What is the building block token for the following molecule? | O=C(O)[C@]1(c2ccc(Cl)cc2)C[C@H](O)C1 | <BB_1827> |
What is the molecular formula for <BB_1827>? | The molecular formula for <BB_1827> (O=C(O)[C@]1(c2ccc(Cl)cc2)C[C@H](O)C1) is C11H11ClO3. | |
Describe the ring structures in building block <BB_1827>. | 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_1827>. | The molecule contains the following groups: Carboxylic Acid, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1827>. | **Token:** <BB_1827>
**SMILES:** O=C(O)[C@]1(c2ccc(Cl)cc2)C[C@H](O)C1
**Molecular Formula:** C11H11ClO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1828>. | C[C@@H]1C[C@]1(N)c1ccc(C(C)(C)C)cc1.Cl | |
What is the building block token for the following molecule? | C[C@@H]1C[C@]1(N)c1ccc(C(C)(C)C)cc1.Cl | <BB_1828> |
What is the molecular formula for <BB_1828>? | The molecular formula for <BB_1828> (C[C@@H]1C[C@]1(N)c1ccc(C(C)(C)C)cc1.Cl) is C14H22ClN. | |
Describe the ring structures in building block <BB_1828>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1828>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1828>. | **Token:** <BB_1828>
**SMILES:** C[C@@H]1C[C@]1(N)c1ccc(C(C)(C)C)cc1.Cl
**Molecular Formula:** C14H22ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1829>. | Cc1cc(CN)sn1 | |
What is the building block token for the following molecule? | Cc1cc(CN)sn1 | <BB_1829> |
What is the molecular formula for <BB_1829>? | The molecular formula for <BB_1829> (Cc1cc(CN)sn1) is C5H8N2S. | |
Describe the ring structures in building block <BB_1829>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1829>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1829>. | **Token:** <BB_1829>
**SMILES:** Cc1cc(CN)sn1
**Molecular Formula:** C5H8N2S
**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_1830>. | CC(C)(C)OC(=O)N1CCC(CCC=O)CC1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC(CCC=O)CC1 | <BB_1830> |
What is the molecular formula for <BB_1830>? | The molecular formula for <BB_1830> (CC(C)(C)OC(=O)N1CCC(CCC=O)CC1) is C13H23NO3. | |
Describe the ring structures in building block <BB_1830>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1830>. | The molecule contains the following groups: Amide, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1830>. | **Token:** <BB_1830>
**SMILES:** CC(C)(C)OC(=O)N1CCC(CCC=O)CC1
**Molecular Formula:** C13H23NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_1831>. | Cl.N=C(N)c1ccncc1 | |
What is the building block token for the following molecule? | Cl.N=C(N)c1ccncc1 | <BB_1831> |
What is the molecular formula for <BB_1831>? | The molecular formula for <BB_1831> (Cl.N=C(N)c1ccncc1) is C6H8ClN3. | |
Describe the ring structures in building block <BB_1831>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1831>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1831>. | **Token:** <BB_1831>
**SMILES:** Cl.N=C(N)c1ccncc1
**Molecular Formula:** C6H8ClN3
**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_1832>. | COC(=O)C1(N=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1 | |
What is the building block token for the following molecule? | COC(=O)C1(N=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1 | <BB_1832> |
What is the molecular formula for <BB_1832>? | The molecular formula for <BB_1832> (COC(=O)C1(N=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1) is C10H16N4O4. | |
Describe the ring structures in building block <BB_1832>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1832>. | The molecule contains the following groups: Amide, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1832>. | **Token:** <BB_1832>
**SMILES:** COC(=O)C1(N=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1
**Molecular Formula:** C10H16N4O4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amide, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1833>. | O=[N+]([O-])c1ccc(O)cc1Cl | |
What is the building block token for the following molecule? | O=[N+]([O-])c1ccc(O)cc1Cl | <BB_1833> |
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