instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_566>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_566>. | **Token:** <BB_566>
**SMILES:** C1CO[C@H]2CCCN[C@H]2C1.Cl
**Molecular Formula:** C8H16ClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, 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_567>. | CSCC(N)c1ccccc1.Cl | |
What is the building block token for the following molecule? | CSCC(N)c1ccccc1.Cl | <BB_567> |
What is the molecular formula for <BB_567>? | The molecular formula for <BB_567> (CSCC(N)c1ccccc1.Cl) is C9H14ClNS. | |
Describe the ring structures in building block <BB_567>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_567>. | The molecule contains the following groups: Amine, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_567>. | **Token:** <BB_567>
**SMILES:** CSCC(N)c1ccccc1.Cl
**Molecular Formula:** C9H14ClNS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_568>. | CCCCCCCCNCCCCCCCC.Cl | |
What is the building block token for the following molecule? | CCCCCCCCNCCCCCCCC.Cl | <BB_568> |
What is the molecular formula for <BB_568>? | The molecular formula for <BB_568> (CCCCCCCCNCCCCCCCC.Cl) is C16H36ClN. | |
Describe the ring structures in building block <BB_568>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_568>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_568>. | **Token:** <BB_568>
**SMILES:** CCCCCCCCNCCCCCCCC.Cl
**Molecular Formula:** C16H36ClN
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_569>. | Cn1nc(NN)c(=O)n(C)c1=O | |
What is the building block token for the following molecule? | Cn1nc(NN)c(=O)n(C)c1=O | <BB_569> |
What is the molecular formula for <BB_569>? | The molecular formula for <BB_569> (Cn1nc(NN)c(=O)n(C)c1=O) is C5H9N5O2. | |
Describe the ring structures in building block <BB_569>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_569>. | The molecule contains the following groups: Amine, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_569>. | **Token:** <BB_569>
**SMILES:** Cn1nc(NN)c(=O)n(C)c1=O
**Molecular Formula:** C5H9N5O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_570>. | O=C=NC1CC2(CCC2)C1 | |
What is the building block token for the following molecule? | O=C=NC1CC2(CCC2)C1 | <BB_570> |
What is the molecular formula for <BB_570>? | The molecular formula for <BB_570> (O=C=NC1CC2(CCC2)C1) is C8H11NO. | |
Describe the ring structures in building block <BB_570>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_570>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_570>. | **Token:** <BB_570>
**SMILES:** O=C=NC1CC2(CCC2)C1
**Molecular Formula:** C8H11NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_571>. | CCC(O)Cc1ccccc1 | |
What is the building block token for the following molecule? | CCC(O)Cc1ccccc1 | <BB_571> |
What is the molecular formula for <BB_571>? | The molecular formula for <BB_571> (CCC(O)Cc1ccccc1) is C10H14O. | |
Describe the ring structures in building block <BB_571>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_571>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_571>. | **Token:** <BB_571>
**SMILES:** CCC(O)Cc1ccccc1
**Molecular Formula:** C10H14O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_572>. | Cc1cc(Cl)ncc1B1OC(C)(C)C(C)(C)O1 | |
What is the building block token for the following molecule? | Cc1cc(Cl)ncc1B1OC(C)(C)C(C)(C)O1 | <BB_572> |
What is the molecular formula for <BB_572>? | The molecular formula for <BB_572> (Cc1cc(Cl)ncc1B1OC(C)(C)C(C)(C)O1) is C12H17BClNO2. | |
Describe the ring structures in building block <BB_572>. | 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_572>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_572>. | **Token:** <BB_572>
**SMILES:** Cc1cc(Cl)ncc1B1OC(C)(C)C(C)(C)O1
**Molecular Formula:** C12H17BClNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_573>. | CCC(=O)c1ccc(OC)cc1 | |
What is the building block token for the following molecule? | CCC(=O)c1ccc(OC)cc1 | <BB_573> |
What is the molecular formula for <BB_573>? | The molecular formula for <BB_573> (CCC(=O)c1ccc(OC)cc1) is C10H12O2. | |
Describe the ring structures in building block <BB_573>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_573>. | The molecule contains the following groups: Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_573>. | **Token:** <BB_573>
**SMILES:** CCC(=O)c1ccc(OC)cc1
**Molecular Formula:** C10H12O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_574>. | COc1ccc(B2OC(C)(C)C(C)(C)O2)s1 | |
What is the building block token for the following molecule? | COc1ccc(B2OC(C)(C)C(C)(C)O2)s1 | <BB_574> |
What is the molecular formula for <BB_574>? | The molecular formula for <BB_574> (COc1ccc(B2OC(C)(C)C(C)(C)O2)s1) is C11H17BO3S. | |
Describe the ring structures in building block <BB_574>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_574>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_574>. | **Token:** <BB_574>
**SMILES:** COc1ccc(B2OC(C)(C)C(C)(C)O2)s1
**Molecular Formula:** C11H17BO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_575>. | O=C(O)c1ccc(C(F)(F)Br)nc1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc(C(F)(F)Br)nc1 | <BB_575> |
What is the molecular formula for <BB_575>? | The molecular formula for <BB_575> (O=C(O)c1ccc(C(F)(F)Br)nc1) is C7H4BrF2NO2. | |
Describe the ring structures in building block <BB_575>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_575>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_575>. | **Token:** <BB_575>
**SMILES:** O=C(O)c1ccc(C(F)(F)Br)nc1
**Molecular Formula:** C7H4BrF2NO2
**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_576>. | O=C1CC(F)(F)CO1 | |
What is the building block token for the following molecule? | O=C1CC(F)(F)CO1 | <BB_576> |
What is the molecular formula for <BB_576>? | The molecular formula for <BB_576> (O=C1CC(F)(F)CO1) is C4H4F2O2. | |
Describe the ring structures in building block <BB_576>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_576>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_576>. | **Token:** <BB_576>
**SMILES:** O=C1CC(F)(F)CO1
**Molecular Formula:** C4H4F2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_577>. | O=Cc1cc(Cl)cc(Cl)c1Br | |
What is the building block token for the following molecule? | O=Cc1cc(Cl)cc(Cl)c1Br | <BB_577> |
What is the molecular formula for <BB_577>? | The molecular formula for <BB_577> (O=Cc1cc(Cl)cc(Cl)c1Br) is C7H3BrCl2O. | |
Describe the ring structures in building block <BB_577>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_577>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_577>. | **Token:** <BB_577>
**SMILES:** O=Cc1cc(Cl)cc(Cl)c1Br
**Molecular Formula:** C7H3BrCl2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_578>. | Fc1cc(Br)ccc1CCBr | |
What is the building block token for the following molecule? | Fc1cc(Br)ccc1CCBr | <BB_578> |
What is the molecular formula for <BB_578>? | The molecular formula for <BB_578> (Fc1cc(Br)ccc1CCBr) is C8H7Br2F. | |
Describe the ring structures in building block <BB_578>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_578>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_578>. | **Token:** <BB_578>
**SMILES:** Fc1cc(Br)ccc1CCBr
**Molecular Formula:** C8H7Br2F
**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_579>. | C=CCNCC(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | C=CCNCC(=O)OC(C)(C)C | <BB_579> |
What is the molecular formula for <BB_579>? | The molecular formula for <BB_579> (C=CCNCC(=O)OC(C)(C)C) is C9H17NO2. | |
Describe the ring structures in building block <BB_579>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_579>. | The molecule contains the following groups: Secondary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_579>. | **Token:** <BB_579>
**SMILES:** C=CCNCC(=O)OC(C)(C)C
**Molecular Formula:** C9H17NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_580>. | Cc1cccc2c(=O)[nH]ccc12 | |
What is the building block token for the following molecule? | Cc1cccc2c(=O)[nH]ccc12 | <BB_580> |
What is the molecular formula for <BB_580>? | The molecular formula for <BB_580> (Cc1cccc2c(=O)[nH]ccc12) is C10H9NO. | |
Describe the ring structures in building block <BB_580>. | 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_580>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_580>. | **Token:** <BB_580>
**SMILES:** Cc1cccc2c(=O)[nH]ccc12
**Molecular Formula:** C10H9NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_581>. | CC(C)(C)OC(=O)N1CCNC1=O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCNC1=O | <BB_581> |
What is the molecular formula for <BB_581>? | The molecular formula for <BB_581> (CC(C)(C)OC(=O)N1CCNC1=O) is C8H14N2O3. | |
Describe the ring structures in building block <BB_581>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_581>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_581>. | **Token:** <BB_581>
**SMILES:** CC(C)(C)OC(=O)N1CCNC1=O
**Molecular Formula:** C8H14N2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_582>. | CO[B-](OC)(OC)OC.[Na+] | |
What is the building block token for the following molecule? | CO[B-](OC)(OC)OC.[Na+] | <BB_582> |
What is the molecular formula for <BB_582>? | The molecular formula for <BB_582> (CO[B-](OC)(OC)OC.[Na+]) is C4H12BNaO4. | |
Describe the ring structures in building block <BB_582>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_582>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_582>. | **Token:** <BB_582>
**SMILES:** CO[B-](OC)(OC)OC.[Na+]
**Molecular Formula:** C4H12BNaO4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_583>. | Cn1ncc2nc3c(c(Cl)c21)CCCC3 | |
What is the building block token for the following molecule? | Cn1ncc2nc3c(c(Cl)c21)CCCC3 | <BB_583> |
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