instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_1533>? | The molecular formula for <BB_1533> (C1CSCN1) is C3H7NS. | |
Describe the ring structures in building block <BB_1533>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1533>. | The molecule contains the following groups: Secondary Amine, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_1533>. | **Token:** <BB_1533>
**SMILES:** C1CSCN1
**Molecular Formula:** C3H7NS
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Sulfide | |
Provide the SMILES representation for the building block token <BB_1534>. | CCOC(=O)C=C(C)N1CCCC1 | |
What is the building block token for the following molecule? | CCOC(=O)C=C(C)N1CCCC1 | <BB_1534> |
What is the molecular formula for <BB_1534>? | The molecular formula for <BB_1534> (CCOC(=O)C=C(C)N1CCCC1) is C10H17NO2. | |
Describe the ring structures in building block <BB_1534>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1534>. | The molecule contains the following groups: Tertiary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1534>. | **Token:** <BB_1534>
**SMILES:** CCOC(=O)C=C(C)N1CCCC1
**Molecular Formula:** C10H17NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Tertiary Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1535>. | CC(Cl)OC(=O)Cl | |
What is the building block token for the following molecule? | CC(Cl)OC(=O)Cl | <BB_1535> |
What is the molecular formula for <BB_1535>? | The molecular formula for <BB_1535> (CC(Cl)OC(=O)Cl) is C3H4Cl2O2. | |
Describe the ring structures in building block <BB_1535>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1535>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1535>. | **Token:** <BB_1535>
**SMILES:** CC(Cl)OC(=O)Cl
**Molecular Formula:** C3H4Cl2O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1536>. | CC(C)c1nc(C(=O)O)cs1 | |
What is the building block token for the following molecule? | CC(C)c1nc(C(=O)O)cs1 | <BB_1536> |
What is the molecular formula for <BB_1536>? | The molecular formula for <BB_1536> (CC(C)c1nc(C(=O)O)cs1) is C7H9NO2S. | |
Describe the ring structures in building block <BB_1536>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1536>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1536>. | **Token:** <BB_1536>
**SMILES:** CC(C)c1nc(C(=O)O)cs1
**Molecular Formula:** C7H9NO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1537>. | CCC1CCCC(C=O)C1 | |
What is the building block token for the following molecule? | CCC1CCCC(C=O)C1 | <BB_1537> |
What is the molecular formula for <BB_1537>? | The molecular formula for <BB_1537> (CCC1CCCC(C=O)C1) is C9H16O. | |
Describe the ring structures in building block <BB_1537>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1537>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_1537>. | **Token:** <BB_1537>
**SMILES:** CCC1CCCC(C=O)C1
**Molecular Formula:** C9H16O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_1538>. | CC1(C)CC(C=O)CC(C)(C)C1 | |
What is the building block token for the following molecule? | CC1(C)CC(C=O)CC(C)(C)C1 | <BB_1538> |
What is the molecular formula for <BB_1538>? | The molecular formula for <BB_1538> (CC1(C)CC(C=O)CC(C)(C)C1) is C11H20O. | |
Describe the ring structures in building block <BB_1538>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1538>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_1538>. | **Token:** <BB_1538>
**SMILES:** CC1(C)CC(C=O)CC(C)(C)C1
**Molecular Formula:** C11H20O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_1539>. | Cn1nccc1C1=CC2CCC(C1)N2 | |
What is the building block token for the following molecule? | Cn1nccc1C1=CC2CCC(C1)N2 | <BB_1539> |
What is the molecular formula for <BB_1539>? | The molecular formula for <BB_1539> (Cn1nccc1C1=CC2CCC(C1)N2) is C11H15N3. | |
Describe the ring structures in building block <BB_1539>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1539>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1539>. | **Token:** <BB_1539>
**SMILES:** Cn1nccc1C1=CC2CCC(C1)N2
**Molecular Formula:** C11H15N3
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_1540>. | COC(=O)c1ccc(CO)cc1C | |
What is the building block token for the following molecule? | COC(=O)c1ccc(CO)cc1C | <BB_1540> |
What is the molecular formula for <BB_1540>? | The molecular formula for <BB_1540> (COC(=O)c1ccc(CO)cc1C) is C10H12O3. | |
Describe the ring structures in building block <BB_1540>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1540>. | The molecule contains the following groups: Ester, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1540>. | **Token:** <BB_1540>
**SMILES:** COC(=O)c1ccc(CO)cc1C
**Molecular Formula:** C10H12O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_1541>. | O=C(O)[C@H]1C[C@H]1c1nc(C(F)(F)F)no1 | |
What is the building block token for the following molecule? | O=C(O)[C@H]1C[C@H]1c1nc(C(F)(F)F)no1 | <BB_1541> |
What is the molecular formula for <BB_1541>? | The molecular formula for <BB_1541> (O=C(O)[C@H]1C[C@H]1c1nc(C(F)(F)F)no1) is C7H5F3N2O3. | |
Describe the ring structures in building block <BB_1541>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1541>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1541>. | **Token:** <BB_1541>
**SMILES:** O=C(O)[C@H]1C[C@H]1c1nc(C(F)(F)F)no1
**Molecular Formula:** C7H5F3N2O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1542>. | O=C(O)c1cccc(-n2cnnn2)c1 | |
What is the building block token for the following molecule? | O=C(O)c1cccc(-n2cnnn2)c1 | <BB_1542> |
What is the molecular formula for <BB_1542>? | The molecular formula for <BB_1542> (O=C(O)c1cccc(-n2cnnn2)c1) is C8H6N4O2. | |
Describe the ring structures in building block <BB_1542>. | 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_1542>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1542>. | **Token:** <BB_1542>
**SMILES:** O=C(O)c1cccc(-n2cnnn2)c1
**Molecular Formula:** C8H6N4O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1543>. | COC(=O)CCCOc1ccc(CN)cc1.Cl | |
What is the building block token for the following molecule? | COC(=O)CCCOc1ccc(CN)cc1.Cl | <BB_1543> |
What is the molecular formula for <BB_1543>? | The molecular formula for <BB_1543> (COC(=O)CCCOc1ccc(CN)cc1.Cl) is C12H18ClNO3. | |
Describe the ring structures in building block <BB_1543>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1543>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1543>. | **Token:** <BB_1543>
**SMILES:** COC(=O)CCCOc1ccc(CN)cc1.Cl
**Molecular Formula:** C12H18ClNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1544>. | Cc1cc(C(=O)O)c2cnn(C(C)C)c2n1 | |
What is the building block token for the following molecule? | Cc1cc(C(=O)O)c2cnn(C(C)C)c2n1 | <BB_1544> |
What is the molecular formula for <BB_1544>? | The molecular formula for <BB_1544> (Cc1cc(C(=O)O)c2cnn(C(C)C)c2n1) is C11H13N3O2. | |
Describe the ring structures in building block <BB_1544>. | 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_1544>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1544>. | **Token:** <BB_1544>
**SMILES:** Cc1cc(C(=O)O)c2cnn(C(C)C)c2n1
**Molecular Formula:** C11H13N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1545>. | O=C(O)C1(n2cncn2)CC1 | |
What is the building block token for the following molecule? | O=C(O)C1(n2cncn2)CC1 | <BB_1545> |
What is the molecular formula for <BB_1545>? | The molecular formula for <BB_1545> (O=C(O)C1(n2cncn2)CC1) is C6H7N3O2. | |
Describe the ring structures in building block <BB_1545>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1545>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1545>. | **Token:** <BB_1545>
**SMILES:** O=C(O)C1(n2cncn2)CC1
**Molecular Formula:** C6H7N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1546>. | CSCCCN | |
What is the building block token for the following molecule? | CSCCCN | <BB_1546> |
What is the molecular formula for <BB_1546>? | The molecular formula for <BB_1546> (CSCCCN) is C4H11NS. | |
Describe the ring structures in building block <BB_1546>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1546>. | The molecule contains the following groups: Amine, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_1546>. | **Token:** <BB_1546>
**SMILES:** CSCCCN
**Molecular Formula:** C4H11NS
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Sulfide | |
Provide the SMILES representation for the building block token <BB_1547>. | Cc1ccc(-c2nnn[nH]2)cc1N | |
What is the building block token for the following molecule? | Cc1ccc(-c2nnn[nH]2)cc1N | <BB_1547> |
What is the molecular formula for <BB_1547>? | The molecular formula for <BB_1547> (Cc1ccc(-c2nnn[nH]2)cc1N) is C8H9N5. | |
Describe the ring structures in building block <BB_1547>. | 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_1547>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1547>. | **Token:** <BB_1547>
**SMILES:** Cc1ccc(-c2nnn[nH]2)cc1N
**Molecular Formula:** C8H9N5
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_1548>. | CC(C)c1noc(CN2CCNCC2)n1.Cl.Cl | |
What is the building block token for the following molecule? | CC(C)c1noc(CN2CCNCC2)n1.Cl.Cl | <BB_1548> |
What is the molecular formula for <BB_1548>? | The molecular formula for <BB_1548> (CC(C)c1noc(CN2CCNCC2)n1.Cl.Cl) is C10H20Cl2N4O. | |
Describe the ring structures in building block <BB_1548>. | 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_1548>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1548>. | **Token:** <BB_1548>
**SMILES:** CC(C)c1noc(CN2CCNCC2)n1.Cl.Cl
**Molecular Formula:** C10H20Cl2N4O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1549>. | CNCC(O)COC | |
What is the building block token for the following molecule? | CNCC(O)COC | <BB_1549> |
What is the molecular formula for <BB_1549>? | The molecular formula for <BB_1549> (CNCC(O)COC) is C5H13NO2. | |
Describe the ring structures in building block <BB_1549>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1549>. | The molecule contains the following groups: Secondary Amine, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1549>. | **Token:** <BB_1549>
**SMILES:** CNCC(O)COC
**Molecular Formula:** C5H13NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Alcohol, Ether |
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