instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_1550>. | COc1cc(C(=O)O)c(N)cn1 | |
What is the building block token for the following molecule? | COc1cc(C(=O)O)c(N)cn1 | <BB_1550> |
What is the molecular formula for <BB_1550>? | The molecular formula for <BB_1550> (COc1cc(C(=O)O)c(N)cn1) is C7H8N2O3. | |
Describe the ring structures in building block <BB_1550>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1550>. | The molecule contains the following groups: Carboxylic Acid, Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1550>. | **Token:** <BB_1550>
**SMILES:** COc1cc(C(=O)O)c(N)cn1
**Molecular Formula:** C7H8N2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1551>. | OCc1ncccc1F | |
What is the building block token for the following molecule? | OCc1ncccc1F | <BB_1551> |
What is the molecular formula for <BB_1551>? | The molecular formula for <BB_1551> (OCc1ncccc1F) is C6H6FNO. | |
Describe the ring structures in building block <BB_1551>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1551>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1551>. | **Token:** <BB_1551>
**SMILES:** OCc1ncccc1F
**Molecular Formula:** C6H6FNO
**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_1552>. | OCc1cc(Br)cnc1N1CCOCC1 | |
What is the building block token for the following molecule? | OCc1cc(Br)cnc1N1CCOCC1 | <BB_1552> |
What is the molecular formula for <BB_1552>? | The molecular formula for <BB_1552> (OCc1cc(Br)cnc1N1CCOCC1) is C10H13BrN2O2. | |
Describe the ring structures in building block <BB_1552>. | 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_1552>. | The molecule contains the following groups: Tertiary Amine, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1552>. | **Token:** <BB_1552>
**SMILES:** OCc1cc(Br)cnc1N1CCOCC1
**Molecular Formula:** C10H13BrN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1553>. | Clc1ccc([C@@H]2CO2)cc1 | |
What is the building block token for the following molecule? | Clc1ccc([C@@H]2CO2)cc1 | <BB_1553> |
What is the molecular formula for <BB_1553>? | The molecular formula for <BB_1553> (Clc1ccc([C@@H]2CO2)cc1) is C8H7ClO. | |
Describe the ring structures in building block <BB_1553>. | 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_1553>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1553>. | **Token:** <BB_1553>
**SMILES:** Clc1ccc([C@@H]2CO2)cc1
**Molecular Formula:** C8H7ClO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1554>. | Cl.O=C(O)c1ccc(N2CCOCC2)cc1Cl | |
What is the building block token for the following molecule? | Cl.O=C(O)c1ccc(N2CCOCC2)cc1Cl | <BB_1554> |
What is the molecular formula for <BB_1554>? | The molecular formula for <BB_1554> (Cl.O=C(O)c1ccc(N2CCOCC2)cc1Cl) is C11H13Cl2NO3. | |
Describe the ring structures in building block <BB_1554>. | 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_1554>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1554>. | **Token:** <BB_1554>
**SMILES:** Cl.O=C(O)c1ccc(N2CCOCC2)cc1Cl
**Molecular Formula:** C11H13Cl2NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1555>. | OB(O)c1cc2cccc(Cl)c2s1 | |
What is the building block token for the following molecule? | OB(O)c1cc2cccc(Cl)c2s1 | <BB_1555> |
What is the molecular formula for <BB_1555>? | The molecular formula for <BB_1555> (OB(O)c1cc2cccc(Cl)c2s1) is C8H6BClO2S. | |
Describe the ring structures in building block <BB_1555>. | 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_1555>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1555>. | **Token:** <BB_1555>
**SMILES:** OB(O)c1cc2cccc(Cl)c2s1
**Molecular Formula:** C8H6BClO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1556>. | COC(=O)C12CC(CBr)(C1)C2(F)F | |
What is the building block token for the following molecule? | COC(=O)C12CC(CBr)(C1)C2(F)F | <BB_1556> |
What is the molecular formula for <BB_1556>? | The molecular formula for <BB_1556> (COC(=O)C12CC(CBr)(C1)C2(F)F) is C8H9BrF2O2. | |
Describe the ring structures in building block <BB_1556>. | The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1556>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1556>. | **Token:** <BB_1556>
**SMILES:** COC(=O)C12CC(CBr)(C1)C2(F)F
**Molecular Formula:** C8H9BrF2O2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1557>. | CSc1ncc(C=O)c(Cl)n1 | |
What is the building block token for the following molecule? | CSc1ncc(C=O)c(Cl)n1 | <BB_1557> |
What is the molecular formula for <BB_1557>? | The molecular formula for <BB_1557> (CSc1ncc(C=O)c(Cl)n1) is C6H5ClN2OS. | |
Describe the ring structures in building block <BB_1557>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1557>. | The molecule contains the following groups: Aldehyde, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1557>. | **Token:** <BB_1557>
**SMILES:** CSc1ncc(C=O)c(Cl)n1
**Molecular Formula:** C6H5ClN2OS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1558>. | OB(O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 | |
What is the building block token for the following molecule? | OB(O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 | <BB_1558> |
What is the molecular formula for <BB_1558>? | The molecular formula for <BB_1558> (OB(O)[C@@H]1C[C@H]1c1ccc(Cl)cc1) is C9H10BClO2. | |
Describe the ring structures in building block <BB_1558>. | 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_1558>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1558>. | **Token:** <BB_1558>
**SMILES:** OB(O)[C@@H]1C[C@H]1c1ccc(Cl)cc1
**Molecular Formula:** C9H10BClO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1559>. | Clc1cnc(Br)c2[nH]ccc12 | |
What is the building block token for the following molecule? | Clc1cnc(Br)c2[nH]ccc12 | <BB_1559> |
What is the molecular formula for <BB_1559>? | The molecular formula for <BB_1559> (Clc1cnc(Br)c2[nH]ccc12) is C7H4BrClN2. | |
Describe the ring structures in building block <BB_1559>. | 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_1559>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1559>. | **Token:** <BB_1559>
**SMILES:** Clc1cnc(Br)c2[nH]ccc12
**Molecular Formula:** C7H4BrClN2
**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_1560>. | CC(C)(C)OC(=O)NC1CCCC(CC(=O)O)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC1CCCC(CC(=O)O)C1 | <BB_1560> |
What is the molecular formula for <BB_1560>? | The molecular formula for <BB_1560> (CC(C)(C)OC(=O)NC1CCCC(CC(=O)O)C1) is C13H23NO4. | |
Describe the ring structures in building block <BB_1560>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1560>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1560>. | **Token:** <BB_1560>
**SMILES:** CC(C)(C)OC(=O)NC1CCCC(CC(=O)O)C1
**Molecular Formula:** C13H23NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1561>. | CSCC(=O)NOCC(N)=O | |
What is the building block token for the following molecule? | CSCC(=O)NOCC(N)=O | <BB_1561> |
What is the molecular formula for <BB_1561>? | The molecular formula for <BB_1561> (CSCC(=O)NOCC(N)=O) is C5H10N2O3S. | |
Describe the ring structures in building block <BB_1561>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1561>. | The molecule contains the following groups: Amide, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_1561>. | **Token:** <BB_1561>
**SMILES:** CSCC(=O)NOCC(N)=O
**Molecular Formula:** C5H10N2O3S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Sulfide | |
Provide the SMILES representation for the building block token <BB_1562>. | CC1(C)CC(=O)c2c([nH]c3ccc(F)cc23)C1 | |
What is the building block token for the following molecule? | CC1(C)CC(=O)c2c([nH]c3ccc(F)cc23)C1 | <BB_1562> |
What is the molecular formula for <BB_1562>? | The molecular formula for <BB_1562> (CC1(C)CC(=O)c2c([nH]c3ccc(F)cc23)C1) is C14H14FNO. | |
Describe the ring structures in building block <BB_1562>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1562>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1562>. | **Token:** <BB_1562>
**SMILES:** CC1(C)CC(=O)c2c([nH]c3ccc(F)cc23)C1
**Molecular Formula:** C14H14FNO
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1563>. | Clc1ccc(OC[C@H]2CO2)cc1 | |
What is the building block token for the following molecule? | Clc1ccc(OC[C@H]2CO2)cc1 | <BB_1563> |
What is the molecular formula for <BB_1563>? | The molecular formula for <BB_1563> (Clc1ccc(OC[C@H]2CO2)cc1) is C9H9ClO2. | |
Describe the ring structures in building block <BB_1563>. | 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_1563>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1563>. | **Token:** <BB_1563>
**SMILES:** Clc1ccc(OC[C@H]2CO2)cc1
**Molecular Formula:** C9H9ClO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1564>. | Fc1cc(CCl)cnc1Cl | |
What is the building block token for the following molecule? | Fc1cc(CCl)cnc1Cl | <BB_1564> |
What is the molecular formula for <BB_1564>? | The molecular formula for <BB_1564> (Fc1cc(CCl)cnc1Cl) is C6H4Cl2FN. | |
Describe the ring structures in building block <BB_1564>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1564>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1564>. | **Token:** <BB_1564>
**SMILES:** Fc1cc(CCl)cnc1Cl
**Molecular Formula:** C6H4Cl2FN
**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_1565>. | Cl.N#CC=CCN | |
What is the building block token for the following molecule? | Cl.N#CC=CCN | <BB_1565> |
What is the molecular formula for <BB_1565>? | The molecular formula for <BB_1565> (Cl.N#CC=CCN) is C4H7ClN2. | |
Describe the ring structures in building block <BB_1565>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1565>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1565>. | **Token:** <BB_1565>
**SMILES:** Cl.N#CC=CCN
**Molecular Formula:** C4H7ClN2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_1566>. | OCC(F)(F)c1ccc(Br)nc1 | |
What is the building block token for the following molecule? | OCC(F)(F)c1ccc(Br)nc1 | <BB_1566> |
What is the molecular formula for <BB_1566>? | The molecular formula for <BB_1566> (OCC(F)(F)c1ccc(Br)nc1) is C7H6BrF2NO. | |
Describe the ring structures in building block <BB_1566>. | The molecule contains 1 ring(s): an aromatic ring of size 6. |
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