instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_316>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_316>. | **Token:** <BB_316>
**SMILES:** O=S([O-])c1cc(F)ccc1Br.[Na+]
**Molecular Formula:** C6H3BrFNaO2S
**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_317>. | c1ccc(-c2ccc(C3CCCCN3)cc2)cc1 | |
What is the building block token for the following molecule? | c1ccc(-c2ccc(C3CCCCN3)cc2)cc1 | <BB_317> |
What is the molecular formula for <BB_317>? | The molecular formula for <BB_317> (c1ccc(-c2ccc(C3CCCCN3)cc2)cc1) is C17H19N. | |
Describe the ring structures in building block <BB_317>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_317>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_317>. | **Token:** <BB_317>
**SMILES:** c1ccc(-c2ccc(C3CCCCN3)cc2)cc1
**Molecular Formula:** C17H19N
**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 6.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_318>. | CC1(CCN)CCCCC1.Cl | |
What is the building block token for the following molecule? | CC1(CCN)CCCCC1.Cl | <BB_318> |
What is the molecular formula for <BB_318>? | The molecular formula for <BB_318> (CC1(CCN)CCCCC1.Cl) is C9H20ClN. | |
Describe the ring structures in building block <BB_318>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_318>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_318>. | **Token:** <BB_318>
**SMILES:** CC1(CCN)CCCCC1.Cl
**Molecular Formula:** C9H20ClN
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_319>. | CCc1ccc(C=O)c(OC)c1 | |
What is the building block token for the following molecule? | CCc1ccc(C=O)c(OC)c1 | <BB_319> |
What is the molecular formula for <BB_319>? | The molecular formula for <BB_319> (CCc1ccc(C=O)c(OC)c1) is C10H12O2. | |
Describe the ring structures in building block <BB_319>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_319>. | The molecule contains the following groups: Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_319>. | **Token:** <BB_319>
**SMILES:** CCc1ccc(C=O)c(OC)c1
**Molecular Formula:** C10H12O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_320>. | COCCOCCOc1cc(N)ccc1Br | |
What is the building block token for the following molecule? | COCCOCCOc1cc(N)ccc1Br | <BB_320> |
What is the molecular formula for <BB_320>? | The molecular formula for <BB_320> (COCCOCCOc1cc(N)ccc1Br) is C11H16BrNO3. | |
Describe the ring structures in building block <BB_320>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_320>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_320>. | **Token:** <BB_320>
**SMILES:** COCCOCCOc1cc(N)ccc1Br
**Molecular Formula:** C11H16BrNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_321>. | O=C(O)Cc1csc(-c2cccc(Br)c2)n1 | |
What is the building block token for the following molecule? | O=C(O)Cc1csc(-c2cccc(Br)c2)n1 | <BB_321> |
What is the molecular formula for <BB_321>? | The molecular formula for <BB_321> (O=C(O)Cc1csc(-c2cccc(Br)c2)n1) is C11H8BrNO2S. | |
Describe the ring structures in building block <BB_321>. | 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_321>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_321>. | **Token:** <BB_321>
**SMILES:** O=C(O)Cc1csc(-c2cccc(Br)c2)n1
**Molecular Formula:** C11H8BrNO2S
**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_322>. | Oc1cccc(F)c1I | |
What is the building block token for the following molecule? | Oc1cccc(F)c1I | <BB_322> |
What is the molecular formula for <BB_322>? | The molecular formula for <BB_322> (Oc1cccc(F)c1I) is C6H4FIO. | |
Describe the ring structures in building block <BB_322>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_322>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_322>. | **Token:** <BB_322>
**SMILES:** Oc1cccc(F)c1I
**Molecular Formula:** C6H4FIO
**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_323>. | Cl.OC1CCN(Cc2ccc3c(c2)CCC3)C1 | |
What is the building block token for the following molecule? | Cl.OC1CCN(Cc2ccc3c(c2)CCC3)C1 | <BB_323> |
What is the molecular formula for <BB_323>? | The molecular formula for <BB_323> (Cl.OC1CCN(Cc2ccc3c(c2)CCC3)C1) is C14H20ClNO. | |
Describe the ring structures in building block <BB_323>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_323>. | The molecule contains the following groups: Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_323>. | **Token:** <BB_323>
**SMILES:** Cl.OC1CCN(Cc2ccc3c(c2)CCC3)C1
**Molecular Formula:** C14H20ClNO
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_324>. | C=C(CC#N)C(=O)OC | |
What is the building block token for the following molecule? | C=C(CC#N)C(=O)OC | <BB_324> |
What is the molecular formula for <BB_324>? | The molecular formula for <BB_324> (C=C(CC#N)C(=O)OC) is C6H7NO2. | |
Describe the ring structures in building block <BB_324>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_324>. | The molecule contains the following groups: Ester, Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_324>. | **Token:** <BB_324>
**SMILES:** C=C(CC#N)C(=O)OC
**Molecular Formula:** C6H7NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_325>. | Cl.NCc1cc2cc(Br)cnc2o1 | |
What is the building block token for the following molecule? | Cl.NCc1cc2cc(Br)cnc2o1 | <BB_325> |
What is the molecular formula for <BB_325>? | The molecular formula for <BB_325> (Cl.NCc1cc2cc(Br)cnc2o1) is C8H8BrClN2O. | |
Describe the ring structures in building block <BB_325>. | 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_325>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_325>. | **Token:** <BB_325>
**SMILES:** Cl.NCc1cc2cc(Br)cnc2o1
**Molecular Formula:** C8H8BrClN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_326>. | COC(=O)CC(C[N+](=O)[O-])C1CCOCC1 | |
What is the building block token for the following molecule? | COC(=O)CC(C[N+](=O)[O-])C1CCOCC1 | <BB_326> |
What is the molecular formula for <BB_326>? | The molecular formula for <BB_326> (COC(=O)CC(C[N+](=O)[O-])C1CCOCC1) is C10H17NO5. | |
Describe the ring structures in building block <BB_326>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_326>. | The molecule contains the following groups: Tertiary Amine, Ester, Ether, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_326>. | **Token:** <BB_326>
**SMILES:** COC(=O)CC(C[N+](=O)[O-])C1CCOCC1
**Molecular Formula:** C10H17NO5
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ester, Ether, Nitro | |
Provide the SMILES representation for the building block token <BB_327>. | CNCC1COCCO1.Cl | |
What is the building block token for the following molecule? | CNCC1COCCO1.Cl | <BB_327> |
What is the molecular formula for <BB_327>? | The molecular formula for <BB_327> (CNCC1COCCO1.Cl) is C6H14ClNO2. | |
Describe the ring structures in building block <BB_327>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_327>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_327>. | **Token:** <BB_327>
**SMILES:** CNCC1COCCO1.Cl
**Molecular Formula:** C6H14ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_328>. | Cc1cn(C2CCNCC2)nn1.Cl.Cl | |
What is the building block token for the following molecule? | Cc1cn(C2CCNCC2)nn1.Cl.Cl | <BB_328> |
What is the molecular formula for <BB_328>? | The molecular formula for <BB_328> (Cc1cn(C2CCNCC2)nn1.Cl.Cl) is C8H16Cl2N4. | |
Describe the ring structures in building block <BB_328>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_328>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_328>. | **Token:** <BB_328>
**SMILES:** Cc1cn(C2CCNCC2)nn1.Cl.Cl
**Molecular Formula:** C8H16Cl2N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_329>. | C=CC(=O)NCc1ccc2c(c1)CCS2(=O)=O | |
What is the building block token for the following molecule? | C=CC(=O)NCc1ccc2c(c1)CCS2(=O)=O | <BB_329> |
What is the molecular formula for <BB_329>? | The molecular formula for <BB_329> (C=CC(=O)NCc1ccc2c(c1)CCS2(=O)=O) is C12H13NO3S. | |
Describe the ring structures in building block <BB_329>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_329>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_329>. | **Token:** <BB_329>
**SMILES:** C=CC(=O)NCc1ccc2c(c1)CCS2(=O)=O
**Molecular Formula:** C12H13NO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_330>. | CNC1CCCN(CC(C)C(=O)O)C1.Cl.Cl | |
What is the building block token for the following molecule? | CNC1CCCN(CC(C)C(=O)O)C1.Cl.Cl | <BB_330> |
What is the molecular formula for <BB_330>? | The molecular formula for <BB_330> (CNC1CCCN(CC(C)C(=O)O)C1.Cl.Cl) is C10H22Cl2N2O2. | |
Describe the ring structures in building block <BB_330>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_330>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_330>. | **Token:** <BB_330>
**SMILES:** CNC1CCCN(CC(C)C(=O)O)C1.Cl.Cl
**Molecular Formula:** C10H22Cl2N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_331>. | CCOC(=O)c1noc(C(C)N)n1.Cl | |
What is the building block token for the following molecule? | CCOC(=O)c1noc(C(C)N)n1.Cl | <BB_331> |
What is the molecular formula for <BB_331>? | The molecular formula for <BB_331> (CCOC(=O)c1noc(C(C)N)n1.Cl) is C7H12ClN3O3. | |
Describe the ring structures in building block <BB_331>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_331>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_331>. | **Token:** <BB_331>
**SMILES:** CCOC(=O)c1noc(C(C)N)n1.Cl
**Molecular Formula:** C7H12ClN3O3
**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_332>. | CC(=O)C1(C(F)(F)F)CC1 | |
What is the building block token for the following molecule? | CC(=O)C1(C(F)(F)F)CC1 | <BB_332> |
What is the molecular formula for <BB_332>? | The molecular formula for <BB_332> (CC(=O)C1(C(F)(F)F)CC1) is C6H7F3O. | |
Describe the ring structures in building block <BB_332>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_332>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_332>. | **Token:** <BB_332>
**SMILES:** CC(=O)C1(C(F)(F)F)CC1
**Molecular Formula:** C6H7F3O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_333>. | C=CC1(CO)CCC1 | |
What is the building block token for the following molecule? | C=CC1(CO)CCC1 | <BB_333> |
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