instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_1583>? | The molecular formula for <BB_1583> (O=CC1(n2cc(Br)cn2)CC1) is C7H7BrN2O. | |
Describe the ring structures in building block <BB_1583>. | 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_1583>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1583>. | **Token:** <BB_1583>
**SMILES:** O=CC1(n2cc(Br)cn2)CC1
**Molecular Formula:** C7H7BrN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1584>. | O=C(O)C12CCCC(C(=O)O)(C1)C2 | |
What is the building block token for the following molecule? | O=C(O)C12CCCC(C(=O)O)(C1)C2 | <BB_1584> |
What is the molecular formula for <BB_1584>? | The molecular formula for <BB_1584> (O=C(O)C12CCCC(C(=O)O)(C1)C2) is C9H12O4. | |
Describe the ring structures in building block <BB_1584>. | The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1584>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1584>. | **Token:** <BB_1584>
**SMILES:** O=C(O)C12CCCC(C(=O)O)(C1)C2
**Molecular Formula:** C9H12O4
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1585>. | CCCCOc1ccc(CCS)cc1 | |
What is the building block token for the following molecule? | CCCCOc1ccc(CCS)cc1 | <BB_1585> |
What is the molecular formula for <BB_1585>? | The molecular formula for <BB_1585> (CCCCOc1ccc(CCS)cc1) is C12H18OS. | |
Describe the ring structures in building block <BB_1585>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1585>. | The molecule contains the following groups: Ether, Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_1585>. | **Token:** <BB_1585>
**SMILES:** CCCCOc1ccc(CCS)cc1
**Molecular Formula:** C12H18OS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Thiol | |
Provide the SMILES representation for the building block token <BB_1586>. | C#CCN1CCCCCC1=O | |
What is the building block token for the following molecule? | C#CCN1CCCCCC1=O | <BB_1586> |
What is the molecular formula for <BB_1586>? | The molecular formula for <BB_1586> (C#CCN1CCCCCC1=O) is C9H13NO. | |
Describe the ring structures in building block <BB_1586>. | The molecule contains 1 ring(s): an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_1586>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1586>. | **Token:** <BB_1586>
**SMILES:** C#CCN1CCCCCC1=O
**Molecular Formula:** C9H13NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_1587>. | Cl.O=C1CC2CCC(CN1)N2 | |
What is the building block token for the following molecule? | Cl.O=C1CC2CCC(CN1)N2 | <BB_1587> |
What is the molecular formula for <BB_1587>? | The molecular formula for <BB_1587> (Cl.O=C1CC2CCC(CN1)N2) is C7H13ClN2O. | |
Describe the ring structures in building block <BB_1587>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1587>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1587>. | **Token:** <BB_1587>
**SMILES:** Cl.O=C1CC2CCC(CN1)N2
**Molecular Formula:** C7H13ClN2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1588>. | Cl.NCCS(=O)(=O)N1CCOCC1 | |
What is the building block token for the following molecule? | Cl.NCCS(=O)(=O)N1CCOCC1 | <BB_1588> |
What is the molecular formula for <BB_1588>? | The molecular formula for <BB_1588> (Cl.NCCS(=O)(=O)N1CCOCC1) is C6H15ClN2O3S. | |
Describe the ring structures in building block <BB_1588>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1588>. | The molecule contains the following groups: Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1588>. | **Token:** <BB_1588>
**SMILES:** Cl.NCCS(=O)(=O)N1CCOCC1
**Molecular Formula:** C6H15ClN2O3S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1589>. | CC(C)c1ccc(CC(=O)O)cc1F | |
What is the building block token for the following molecule? | CC(C)c1ccc(CC(=O)O)cc1F | <BB_1589> |
What is the molecular formula for <BB_1589>? | The molecular formula for <BB_1589> (CC(C)c1ccc(CC(=O)O)cc1F) is C11H13FO2. | |
Describe the ring structures in building block <BB_1589>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1589>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1589>. | **Token:** <BB_1589>
**SMILES:** CC(C)c1ccc(CC(=O)O)cc1F
**Molecular Formula:** C11H13FO2
**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_1590>. | Cc1cc(C(F)(F)F)cnc1C#N | |
What is the building block token for the following molecule? | Cc1cc(C(F)(F)F)cnc1C#N | <BB_1590> |
What is the molecular formula for <BB_1590>? | The molecular formula for <BB_1590> (Cc1cc(C(F)(F)F)cnc1C#N) is C8H5F3N2. | |
Describe the ring structures in building block <BB_1590>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1590>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1590>. | **Token:** <BB_1590>
**SMILES:** Cc1cc(C(F)(F)F)cnc1C#N
**Molecular Formula:** C8H5F3N2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_1591>. | O=C(O)c1oncc1Br | |
What is the building block token for the following molecule? | O=C(O)c1oncc1Br | <BB_1591> |
What is the molecular formula for <BB_1591>? | The molecular formula for <BB_1591> (O=C(O)c1oncc1Br) is C4H2BrNO3. | |
Describe the ring structures in building block <BB_1591>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1591>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1591>. | **Token:** <BB_1591>
**SMILES:** O=C(O)c1oncc1Br
**Molecular Formula:** C4H2BrNO3
**Ring System:** The molecule contains 1 ring(s): 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_1592>. | CCc1c[nH]c2cc(Br)ccc12 | |
What is the building block token for the following molecule? | CCc1c[nH]c2cc(Br)ccc12 | <BB_1592> |
What is the molecular formula for <BB_1592>? | The molecular formula for <BB_1592> (CCc1c[nH]c2cc(Br)ccc12) is C10H10BrN. | |
Describe the ring structures in building block <BB_1592>. | 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_1592>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1592>. | **Token:** <BB_1592>
**SMILES:** CCc1c[nH]c2cc(Br)ccc12
**Molecular Formula:** C10H10BrN
**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_1593>. | O=C(O)Cc1ccccc1C(F)(F)F | |
What is the building block token for the following molecule? | O=C(O)Cc1ccccc1C(F)(F)F | <BB_1593> |
What is the molecular formula for <BB_1593>? | The molecular formula for <BB_1593> (O=C(O)Cc1ccccc1C(F)(F)F) is C9H7F3O2. | |
Describe the ring structures in building block <BB_1593>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1593>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1593>. | **Token:** <BB_1593>
**SMILES:** O=C(O)Cc1ccccc1C(F)(F)F
**Molecular Formula:** C9H7F3O2
**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_1594>. | CC1CC(C)CN(Cc2ccc(CN)cc2)C1 | |
What is the building block token for the following molecule? | CC1CC(C)CN(Cc2ccc(CN)cc2)C1 | <BB_1594> |
What is the molecular formula for <BB_1594>? | The molecular formula for <BB_1594> (CC1CC(C)CN(Cc2ccc(CN)cc2)C1) is C15H24N2. | |
Describe the ring structures in building block <BB_1594>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1594>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1594>. | **Token:** <BB_1594>
**SMILES:** CC1CC(C)CN(Cc2ccc(CN)cc2)C1
**Molecular Formula:** C15H24N2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_1595>. | ClCc1noc(N2CCOCC2)n1 | |
What is the building block token for the following molecule? | ClCc1noc(N2CCOCC2)n1 | <BB_1595> |
What is the molecular formula for <BB_1595>? | The molecular formula for <BB_1595> (ClCc1noc(N2CCOCC2)n1) is C7H10ClN3O2. | |
Describe the ring structures in building block <BB_1595>. | 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_1595>. | The molecule contains the following groups: Tertiary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1595>. | **Token:** <BB_1595>
**SMILES:** ClCc1noc(N2CCOCC2)n1
**Molecular Formula:** C7H10ClN3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1596>. | O=C(O)c1cccc(CN2C(=O)CSC2=O)c1 | |
What is the building block token for the following molecule? | O=C(O)c1cccc(CN2C(=O)CSC2=O)c1 | <BB_1596> |
What is the molecular formula for <BB_1596>? | The molecular formula for <BB_1596> (O=C(O)c1cccc(CN2C(=O)CSC2=O)c1) is C11H9NO4S. | |
Describe the ring structures in building block <BB_1596>. | 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_1596>. | The molecule contains the following groups: Carboxylic Acid, Amide, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_1596>. | **Token:** <BB_1596>
**SMILES:** O=C(O)c1cccc(CN2C(=O)CSC2=O)c1
**Molecular Formula:** C11H9NO4S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Sulfide | |
Provide the SMILES representation for the building block token <BB_1597>. | O=C(O)COc1cc([N+](=O)[O-])ccc1F | |
What is the building block token for the following molecule? | O=C(O)COc1cc([N+](=O)[O-])ccc1F | <BB_1597> |
What is the molecular formula for <BB_1597>? | The molecular formula for <BB_1597> (O=C(O)COc1cc([N+](=O)[O-])ccc1F) is C8H6FNO5. | |
Describe the ring structures in building block <BB_1597>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1597>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1597>. | **Token:** <BB_1597>
**SMILES:** O=C(O)COc1cc([N+](=O)[O-])ccc1F
**Molecular Formula:** C8H6FNO5
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_1598>. | Nc1ncccc1F | |
What is the building block token for the following molecule? | Nc1ncccc1F | <BB_1598> |
What is the molecular formula for <BB_1598>? | The molecular formula for <BB_1598> (Nc1ncccc1F) is C5H5FN2. | |
Describe the ring structures in building block <BB_1598>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1598>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1598>. | **Token:** <BB_1598>
**SMILES:** Nc1ncccc1F
**Molecular Formula:** C5H5FN2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1599>. | Cc1cc(N2CCCC(N)C2=O)ccc1Br | |
What is the building block token for the following molecule? | Cc1cc(N2CCCC(N)C2=O)ccc1Br | <BB_1599> |
What is the molecular formula for <BB_1599>? | The molecular formula for <BB_1599> (Cc1cc(N2CCCC(N)C2=O)ccc1Br) is C12H15BrN2O. | |
Describe the ring structures in building block <BB_1599>. | 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_1599>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1599>. | **Token:** <BB_1599>
**SMILES:** Cc1cc(N2CCCC(N)C2=O)ccc1Br
**Molecular Formula:** C12H15BrN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) |
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