instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_350>. | COC(=O)[C@@H]1CCCC[C@H]1N.Cl | |
What is the building block token for the following molecule? | COC(=O)[C@@H]1CCCC[C@H]1N.Cl | <BB_350> |
What is the molecular formula for <BB_350>? | The molecular formula for <BB_350> (COC(=O)[C@@H]1CCCC[C@H]1N.Cl) is C8H16ClNO2. | |
Describe the ring structures in building block <BB_350>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_350>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_350>. | **Token:** <BB_350>
**SMILES:** COC(=O)[C@@H]1CCCC[C@H]1N.Cl
**Molecular Formula:** C8H16ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_351>. | CC1(C)OB(c2c(F)cccc2C=O)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(c2c(F)cccc2C=O)OC1(C)C | <BB_351> |
What is the molecular formula for <BB_351>? | The molecular formula for <BB_351> (CC1(C)OB(c2c(F)cccc2C=O)OC1(C)C) is C13H16BFO3. | |
Describe the ring structures in building block <BB_351>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_351>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_351>. | **Token:** <BB_351>
**SMILES:** CC1(C)OB(c2c(F)cccc2C=O)OC1(C)C
**Molecular Formula:** C13H16BFO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic 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_352>. | O=C(O)c1ccc(S(=O)(=O)Cl)cc1C(F)(F)F | |
What is the building block token for the following molecule? | O=C(O)c1ccc(S(=O)(=O)Cl)cc1C(F)(F)F | <BB_352> |
What is the molecular formula for <BB_352>? | The molecular formula for <BB_352> (O=C(O)c1ccc(S(=O)(=O)Cl)cc1C(F)(F)F) is C8H4ClF3O4S. | |
Describe the ring structures in building block <BB_352>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_352>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_352>. | **Token:** <BB_352>
**SMILES:** O=C(O)c1ccc(S(=O)(=O)Cl)cc1C(F)(F)F
**Molecular Formula:** C8H4ClF3O4S
**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_353>. | COC(=O)C1CCCCC1Br | |
What is the building block token for the following molecule? | COC(=O)C1CCCCC1Br | <BB_353> |
What is the molecular formula for <BB_353>? | The molecular formula for <BB_353> (COC(=O)C1CCCCC1Br) is C8H13BrO2. | |
Describe the ring structures in building block <BB_353>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_353>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_353>. | **Token:** <BB_353>
**SMILES:** COC(=O)C1CCCCC1Br
**Molecular Formula:** C8H13BrO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_354>. | Fc1cnc(Br)cc1I | |
What is the building block token for the following molecule? | Fc1cnc(Br)cc1I | <BB_354> |
What is the molecular formula for <BB_354>? | The molecular formula for <BB_354> (Fc1cnc(Br)cc1I) is C5H2BrFIN. | |
Describe the ring structures in building block <BB_354>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_354>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_354>. | **Token:** <BB_354>
**SMILES:** Fc1cnc(Br)cc1I
**Molecular Formula:** C5H2BrFIN
**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_355>. | NC1CCOC2(CCCCC2)C1 | |
What is the building block token for the following molecule? | NC1CCOC2(CCCCC2)C1 | <BB_355> |
What is the molecular formula for <BB_355>? | The molecular formula for <BB_355> (NC1CCOC2(CCCCC2)C1) is C10H19NO. | |
Describe the ring structures in building block <BB_355>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_355>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_355>. | **Token:** <BB_355>
**SMILES:** NC1CCOC2(CCCCC2)C1
**Molecular Formula:** C10H19NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_356>. | CCOC(=O)C(Cc1ccccc1)C(=O)OCC | |
What is the building block token for the following molecule? | CCOC(=O)C(Cc1ccccc1)C(=O)OCC | <BB_356> |
What is the molecular formula for <BB_356>? | The molecular formula for <BB_356> (CCOC(=O)C(Cc1ccccc1)C(=O)OCC) is C14H18O4. | |
Describe the ring structures in building block <BB_356>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_356>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_356>. | **Token:** <BB_356>
**SMILES:** CCOC(=O)C(Cc1ccccc1)C(=O)OCC
**Molecular Formula:** C14H18O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_357>. | CC1(C)OB(c2ccc(C=O)c(Cl)c2)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(c2ccc(C=O)c(Cl)c2)OC1(C)C | <BB_357> |
What is the molecular formula for <BB_357>? | The molecular formula for <BB_357> (CC1(C)OB(c2ccc(C=O)c(Cl)c2)OC1(C)C) is C13H16BClO3. | |
Describe the ring structures in building block <BB_357>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_357>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_357>. | **Token:** <BB_357>
**SMILES:** CC1(C)OB(c2ccc(C=O)c(Cl)c2)OC1(C)C
**Molecular Formula:** C13H16BClO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic 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_358>. | CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CN=[N+]=[N-] | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CN=[N+]=[N-] | <BB_358> |
What is the molecular formula for <BB_358>? | The molecular formula for <BB_358> (CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CN=[N+]=[N-]) is C10H18N4O2. | |
Describe the ring structures in building block <BB_358>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_358>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_358>. | **Token:** <BB_358>
**SMILES:** CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CN=[N+]=[N-]
**Molecular Formula:** C10H18N4O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_359>. | CCOC(=O)c1[nH]c2ccc(C)cc2c1C=O | |
What is the building block token for the following molecule? | CCOC(=O)c1[nH]c2ccc(C)cc2c1C=O | <BB_359> |
What is the molecular formula for <BB_359>? | The molecular formula for <BB_359> (CCOC(=O)c1[nH]c2ccc(C)cc2c1C=O) is C13H13NO3. | |
Describe the ring structures in building block <BB_359>. | 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_359>. | The molecule contains the following groups: Ester, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_359>. | **Token:** <BB_359>
**SMILES:** CCOC(=O)c1[nH]c2ccc(C)cc2c1C=O
**Molecular Formula:** C13H13NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ester, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_360>. | Oc1cccc(I)c1O | |
What is the building block token for the following molecule? | Oc1cccc(I)c1O | <BB_360> |
What is the molecular formula for <BB_360>? | The molecular formula for <BB_360> (Oc1cccc(I)c1O) is C6H5IO2. | |
Describe the ring structures in building block <BB_360>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_360>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_360>. | **Token:** <BB_360>
**SMILES:** Oc1cccc(I)c1O
**Molecular Formula:** C6H5IO2
**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_361>. | Cn1cc(NC(=O)CCC(=O)O)cn1 | |
What is the building block token for the following molecule? | Cn1cc(NC(=O)CCC(=O)O)cn1 | <BB_361> |
What is the molecular formula for <BB_361>? | The molecular formula for <BB_361> (Cn1cc(NC(=O)CCC(=O)O)cn1) is C8H11N3O3. | |
Describe the ring structures in building block <BB_361>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_361>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_361>. | **Token:** <BB_361>
**SMILES:** Cn1cc(NC(=O)CCC(=O)O)cn1
**Molecular Formula:** C8H11N3O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_362>. | Cl.Nc1ccc(N2CCNCC2=O)cn1 | |
What is the building block token for the following molecule? | Cl.Nc1ccc(N2CCNCC2=O)cn1 | <BB_362> |
What is the molecular formula for <BB_362>? | The molecular formula for <BB_362> (Cl.Nc1ccc(N2CCNCC2=O)cn1) is C9H13ClN4O. | |
Describe the ring structures in building block <BB_362>. | 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_362>. | The molecule contains the following groups: Amine, Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_362>. | **Token:** <BB_362>
**SMILES:** Cl.Nc1ccc(N2CCNCC2=O)cn1
**Molecular Formula:** C9H13ClN4O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_363>. | CC(C)(C)c1csc(CC2CCNCC2)n1.Cl | |
What is the building block token for the following molecule? | CC(C)(C)c1csc(CC2CCNCC2)n1.Cl | <BB_363> |
What is the molecular formula for <BB_363>? | The molecular formula for <BB_363> (CC(C)(C)c1csc(CC2CCNCC2)n1.Cl) is C13H23ClN2S. | |
Describe the ring structures in building block <BB_363>. | 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_363>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_363>. | **Token:** <BB_363>
**SMILES:** CC(C)(C)c1csc(CC2CCNCC2)n1.Cl
**Molecular Formula:** C13H23ClN2S
**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_364>. | C[C@H](O)c1ccc(Cl)cc1Cl | |
What is the building block token for the following molecule? | C[C@H](O)c1ccc(Cl)cc1Cl | <BB_364> |
What is the molecular formula for <BB_364>? | The molecular formula for <BB_364> (C[C@H](O)c1ccc(Cl)cc1Cl) is C8H8Cl2O. | |
Describe the ring structures in building block <BB_364>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_364>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_364>. | **Token:** <BB_364>
**SMILES:** C[C@H](O)c1ccc(Cl)cc1Cl
**Molecular Formula:** C8H8Cl2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_365>. | O=C(O)CSCn1cc(Cl)cn1 | |
What is the building block token for the following molecule? | O=C(O)CSCn1cc(Cl)cn1 | <BB_365> |
What is the molecular formula for <BB_365>? | The molecular formula for <BB_365> (O=C(O)CSCn1cc(Cl)cn1) is C6H7ClN2O2S. | |
Describe the ring structures in building block <BB_365>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_365>. | The molecule contains the following groups: Carboxylic Acid, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_365>. | **Token:** <BB_365>
**SMILES:** O=C(O)CSCn1cc(Cl)cn1
**Molecular Formula:** C6H7ClN2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_366>. | Cl.O=C(c1ccccc1)C1CCCN1 | |
What is the building block token for the following molecule? | Cl.O=C(c1ccccc1)C1CCCN1 | <BB_366> |
What is the molecular formula for <BB_366>? | The molecular formula for <BB_366> (Cl.O=C(c1ccccc1)C1CCCN1) is C11H14ClNO. | |
Describe the ring structures in building block <BB_366>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5. |
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