instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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Provide the SMILES representation for the building block token <BB_300>. | NC1CCN(Cc2ccsc2)CC1 | |
What is the building block token for the following molecule? | NC1CCN(Cc2ccsc2)CC1 | <BB_300> |
What is the molecular formula for <BB_300>? | The molecular formula for <BB_300> (NC1CCN(Cc2ccsc2)CC1) is C10H16N2S. | |
Describe the ring structures in building block <BB_300>. | 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_300>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_300>. | **Token:** <BB_300>
**SMILES:** NC1CCN(Cc2ccsc2)CC1
**Molecular Formula:** C10H16N2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_301>. | N#CC(NC(=O)c1ccccc1)C1CC1 | |
What is the building block token for the following molecule? | N#CC(NC(=O)c1ccccc1)C1CC1 | <BB_301> |
What is the molecular formula for <BB_301>? | The molecular formula for <BB_301> (N#CC(NC(=O)c1ccccc1)C1CC1) is C12H12N2O. | |
Describe the ring structures in building block <BB_301>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_301>. | The molecule contains the following groups: Amide, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_301>. | **Token:** <BB_301>
**SMILES:** N#CC(NC(=O)c1ccccc1)C1CC1
**Molecular Formula:** C12H12N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amide, Nitrile | |
Provide the SMILES representation for the building block token <BB_302>. | Cc1nn(-c2ccc(C(=O)O)cc2)c(C)c1Br | |
What is the building block token for the following molecule? | Cc1nn(-c2ccc(C(=O)O)cc2)c(C)c1Br | <BB_302> |
What is the molecular formula for <BB_302>? | The molecular formula for <BB_302> (Cc1nn(-c2ccc(C(=O)O)cc2)c(C)c1Br) is C12H11BrN2O2. | |
Describe the ring structures in building block <BB_302>. | 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_302>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_302>. | **Token:** <BB_302>
**SMILES:** Cc1nn(-c2ccc(C(=O)O)cc2)c(C)c1Br
**Molecular Formula:** C12H11BrN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_303>. | CC(C)N(C(=O)CCl)C1CCCCC1 | |
What is the building block token for the following molecule? | CC(C)N(C(=O)CCl)C1CCCCC1 | <BB_303> |
What is the molecular formula for <BB_303>? | The molecular formula for <BB_303> (CC(C)N(C(=O)CCl)C1CCCCC1) is C11H20ClNO. | |
Describe the ring structures in building block <BB_303>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_303>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_303>. | **Token:** <BB_303>
**SMILES:** CC(C)N(C(=O)CCl)C1CCCCC1
**Molecular Formula:** C11H20ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_304>. | Nc1cccc(CN2CCCCC2)c1 | |
What is the building block token for the following molecule? | Nc1cccc(CN2CCCCC2)c1 | <BB_304> |
What is the molecular formula for <BB_304>? | The molecular formula for <BB_304> (Nc1cccc(CN2CCCCC2)c1) is C12H18N2. | |
Describe the ring structures in building block <BB_304>. | 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_304>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_304>. | **Token:** <BB_304>
**SMILES:** Nc1cccc(CN2CCCCC2)c1
**Molecular Formula:** C12H18N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_305>. | N#Cc1coc(C2CCC2)n1 | |
What is the building block token for the following molecule? | N#Cc1coc(C2CCC2)n1 | <BB_305> |
What is the molecular formula for <BB_305>? | The molecular formula for <BB_305> (N#Cc1coc(C2CCC2)n1) is C8H8N2O. | |
Describe the ring structures in building block <BB_305>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_305>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_305>. | **Token:** <BB_305>
**SMILES:** N#Cc1coc(C2CCC2)n1
**Molecular Formula:** C8H8N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_306>. | CCOCCc1c(C)nc2n(c1=O)CCCC2 | |
What is the building block token for the following molecule? | CCOCCc1c(C)nc2n(c1=O)CCCC2 | <BB_306> |
What is the molecular formula for <BB_306>? | The molecular formula for <BB_306> (CCOCCc1c(C)nc2n(c1=O)CCCC2) is C13H20N2O2. | |
Describe the ring structures in building block <BB_306>. | 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_306>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_306>. | **Token:** <BB_306>
**SMILES:** CCOCCc1c(C)nc2n(c1=O)CCCC2
**Molecular Formula:** C13H20N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_307>. | N#CC(C#N)c1cncnc1 | |
What is the building block token for the following molecule? | N#CC(C#N)c1cncnc1 | <BB_307> |
What is the molecular formula for <BB_307>? | The molecular formula for <BB_307> (N#CC(C#N)c1cncnc1) is C7H4N4. | |
Describe the ring structures in building block <BB_307>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_307>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_307>. | **Token:** <BB_307>
**SMILES:** N#CC(C#N)c1cncnc1
**Molecular Formula:** C7H4N4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_308>. | Cc1ccc(C2CCCCN2)cc1 | |
What is the building block token for the following molecule? | Cc1ccc(C2CCCCN2)cc1 | <BB_308> |
What is the molecular formula for <BB_308>? | The molecular formula for <BB_308> (Cc1ccc(C2CCCCN2)cc1) is C12H17N. | |
Describe the ring structures in building block <BB_308>. | 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_308>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_308>. | **Token:** <BB_308>
**SMILES:** Cc1ccc(C2CCCCN2)cc1
**Molecular Formula:** C12H17N
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_309>. | Cl.NC1(c2ccc(Cl)nc2)CC1 | |
What is the building block token for the following molecule? | Cl.NC1(c2ccc(Cl)nc2)CC1 | <BB_309> |
What is the molecular formula for <BB_309>? | The molecular formula for <BB_309> (Cl.NC1(c2ccc(Cl)nc2)CC1) is C8H10Cl2N2. | |
Describe the ring structures in building block <BB_309>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_309>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_309>. | **Token:** <BB_309>
**SMILES:** Cl.NC1(c2ccc(Cl)nc2)CC1
**Molecular Formula:** C8H10Cl2N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_310>. | N#Cc1ncsc1Br | |
What is the building block token for the following molecule? | N#Cc1ncsc1Br | <BB_310> |
What is the molecular formula for <BB_310>? | The molecular formula for <BB_310> (N#Cc1ncsc1Br) is C4HBrN2S. | |
Describe the ring structures in building block <BB_310>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_310>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_310>. | **Token:** <BB_310>
**SMILES:** N#Cc1ncsc1Br
**Molecular Formula:** C4HBrN2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_311>. | CC(Cl)C(=O)Nc1cc(Cl)ccc1Cl | |
What is the building block token for the following molecule? | CC(Cl)C(=O)Nc1cc(Cl)ccc1Cl | <BB_311> |
What is the molecular formula for <BB_311>? | The molecular formula for <BB_311> (CC(Cl)C(=O)Nc1cc(Cl)ccc1Cl) is C9H8Cl3NO. | |
Describe the ring structures in building block <BB_311>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_311>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_311>. | **Token:** <BB_311>
**SMILES:** CC(Cl)C(=O)Nc1cc(Cl)ccc1Cl
**Molecular Formula:** C9H8Cl3NO
**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_312>. | Cc1ccc(-c2nc(CCl)no2)cc1 | |
What is the building block token for the following molecule? | Cc1ccc(-c2nc(CCl)no2)cc1 | <BB_312> |
What is the molecular formula for <BB_312>? | The molecular formula for <BB_312> (Cc1ccc(-c2nc(CCl)no2)cc1) is C10H9ClN2O. | |
Describe the ring structures in building block <BB_312>. | 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_312>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_312>. | **Token:** <BB_312>
**SMILES:** Cc1ccc(-c2nc(CCl)no2)cc1
**Molecular Formula:** C10H9ClN2O
**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_313>. | O=Cc1cc2sccc2s1 | |
What is the building block token for the following molecule? | O=Cc1cc2sccc2s1 | <BB_313> |
What is the molecular formula for <BB_313>? | The molecular formula for <BB_313> (O=Cc1cc2sccc2s1) is C7H4OS2. | |
Describe the ring structures in building block <BB_313>. | 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_313>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_313>. | **Token:** <BB_313>
**SMILES:** O=Cc1cc2sccc2s1
**Molecular Formula:** C7H4OS2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_314>. | COC(=O)C(F)(F)CC(=O)O | |
What is the building block token for the following molecule? | COC(=O)C(F)(F)CC(=O)O | <BB_314> |
What is the molecular formula for <BB_314>? | The molecular formula for <BB_314> (COC(=O)C(F)(F)CC(=O)O) is C5H6F2O4. | |
Describe the ring structures in building block <BB_314>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_314>. | The molecule contains the following groups: Carboxylic Acid, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_314>. | **Token:** <BB_314>
**SMILES:** COC(=O)C(F)(F)CC(=O)O
**Molecular Formula:** C5H6F2O4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_315>. | O=c1[nH][nH]c(=O)c2c([N+](=O)[O-])cccc12 | |
What is the building block token for the following molecule? | O=c1[nH][nH]c(=O)c2c([N+](=O)[O-])cccc12 | <BB_315> |
What is the molecular formula for <BB_315>? | The molecular formula for <BB_315> (O=c1[nH][nH]c(=O)c2c([N+](=O)[O-])cccc12) is C8H5N3O4. | |
Describe the ring structures in building block <BB_315>. | 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_315>. | The molecule contains the following groups: Tertiary Amine, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_315>. | **Token:** <BB_315>
**SMILES:** O=c1[nH][nH]c(=O)c2c([N+](=O)[O-])cccc12
**Molecular Formula:** C8H5N3O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Nitro | |
Provide the SMILES representation for the building block token <BB_316>. | O=S([O-])c1cc(F)ccc1Br.[Na+] | |
What is the building block token for the following molecule? | O=S([O-])c1cc(F)ccc1Br.[Na+] | <BB_316> |
What is the molecular formula for <BB_316>? | The molecular formula for <BB_316> (O=S([O-])c1cc(F)ccc1Br.[Na+]) is C6H3BrFNaO2S. | |
Describe the ring structures in building block <BB_316>. | The molecule contains 1 ring(s): an aromatic ring of size 6. |
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