instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_1700>. | O=C1OCc2cccc(CO)c21 | |
What is the building block token for the following molecule? | O=C1OCc2cccc(CO)c21 | <BB_1700> |
What is the molecular formula for <BB_1700>? | The molecular formula for <BB_1700> (O=C1OCc2cccc(CO)c21) is C9H8O3. | |
Describe the ring structures in building block <BB_1700>. | 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_1700>. | The molecule contains the following groups: Ester, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1700>. | **Token:** <BB_1700>
**SMILES:** O=C1OCc2cccc(CO)c21
**Molecular Formula:** C9H8O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ester, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_1701>. | Cn1nc(-c2cccnc2)cc1C(=O)O | |
What is the building block token for the following molecule? | Cn1nc(-c2cccnc2)cc1C(=O)O | <BB_1701> |
What is the molecular formula for <BB_1701>? | The molecular formula for <BB_1701> (Cn1nc(-c2cccnc2)cc1C(=O)O) is C10H9N3O2. | |
Describe the ring structures in building block <BB_1701>. | 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_1701>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1701>. | **Token:** <BB_1701>
**SMILES:** Cn1nc(-c2cccnc2)cc1C(=O)O
**Molecular Formula:** C10H9N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1702>. | C=C=Cc1cccc(Br)c1 | |
What is the building block token for the following molecule? | C=C=Cc1cccc(Br)c1 | <BB_1702> |
What is the molecular formula for <BB_1702>? | The molecular formula for <BB_1702> (C=C=Cc1cccc(Br)c1) is C9H7Br. | |
Describe the ring structures in building block <BB_1702>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1702>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1702>. | **Token:** <BB_1702>
**SMILES:** C=C=Cc1cccc(Br)c1
**Molecular Formula:** C9H7Br
**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_1703>. | Cl.NCC(F)Cl | |
What is the building block token for the following molecule? | Cl.NCC(F)Cl | <BB_1703> |
What is the molecular formula for <BB_1703>? | The molecular formula for <BB_1703> (Cl.NCC(F)Cl) is C2H6Cl2FN. | |
Describe the ring structures in building block <BB_1703>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1703>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1703>. | **Token:** <BB_1703>
**SMILES:** Cl.NCC(F)Cl
**Molecular Formula:** C2H6Cl2FN
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1704>. | Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)O | |
What is the building block token for the following molecule? | Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)O | <BB_1704> |
What is the molecular formula for <BB_1704>? | The molecular formula for <BB_1704> (Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)O) is C8H8BrF3N2O2. | |
Describe the ring structures in building block <BB_1704>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1704>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1704>. | **Token:** <BB_1704>
**SMILES:** Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)O
**Molecular Formula:** C8H8BrF3N2O2
**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_1705>. | COc1ccc(C=O)c(O)c1 | |
What is the building block token for the following molecule? | COc1ccc(C=O)c(O)c1 | <BB_1705> |
What is the molecular formula for <BB_1705>? | The molecular formula for <BB_1705> (COc1ccc(C=O)c(O)c1) is C8H8O3. | |
Describe the ring structures in building block <BB_1705>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1705>. | The molecule contains the following groups: Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1705>. | **Token:** <BB_1705>
**SMILES:** COc1ccc(C=O)c(O)c1
**Molecular Formula:** C8H8O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_1706>. | C[Si](C)(C)C#CC(=O)CCl | |
What is the building block token for the following molecule? | C[Si](C)(C)C#CC(=O)CCl | <BB_1706> |
What is the molecular formula for <BB_1706>? | The molecular formula for <BB_1706> (C[Si](C)(C)C#CC(=O)CCl) is C7H11ClOSi. | |
Describe the ring structures in building block <BB_1706>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1706>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1706>. | **Token:** <BB_1706>
**SMILES:** C[Si](C)(C)C#CC(=O)CCl
**Molecular Formula:** C7H11ClOSi
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1707>. | O=S(=O)(Cl)CC1CC(C2CC2)C1 | |
What is the building block token for the following molecule? | O=S(=O)(Cl)CC1CC(C2CC2)C1 | <BB_1707> |
What is the molecular formula for <BB_1707>? | The molecular formula for <BB_1707> (O=S(=O)(Cl)CC1CC(C2CC2)C1) is C8H13ClO2S. | |
Describe the ring structures in building block <BB_1707>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1707>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1707>. | **Token:** <BB_1707>
**SMILES:** O=S(=O)(Cl)CC1CC(C2CC2)C1
**Molecular Formula:** C8H13ClO2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 3.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1708>. | O=C(O)CC1CCC(C(F)(F)F)CC1 | |
What is the building block token for the following molecule? | O=C(O)CC1CCC(C(F)(F)F)CC1 | <BB_1708> |
What is the molecular formula for <BB_1708>? | The molecular formula for <BB_1708> (O=C(O)CC1CCC(C(F)(F)F)CC1) is C9H13F3O2. | |
Describe the ring structures in building block <BB_1708>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1708>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1708>. | **Token:** <BB_1708>
**SMILES:** O=C(O)CC1CCC(C(F)(F)F)CC1
**Molecular Formula:** C9H13F3O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1709>. | CC1CCN(CC2CCNCC2)CC1 | |
What is the building block token for the following molecule? | CC1CCN(CC2CCNCC2)CC1 | <BB_1709> |
What is the molecular formula for <BB_1709>? | The molecular formula for <BB_1709> (CC1CCN(CC2CCNCC2)CC1) is C12H24N2. | |
Describe the ring structures in building block <BB_1709>. | 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_1709>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1709>. | **Token:** <BB_1709>
**SMILES:** CC1CCN(CC2CCNCC2)CC1
**Molecular Formula:** C12H24N2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_1710>. | COC(=O)c1c(O)cccc1O | |
What is the building block token for the following molecule? | COC(=O)c1c(O)cccc1O | <BB_1710> |
What is the molecular formula for <BB_1710>? | The molecular formula for <BB_1710> (COC(=O)c1c(O)cccc1O) is C8H8O4. | |
Describe the ring structures in building block <BB_1710>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1710>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1710>. | **Token:** <BB_1710>
**SMILES:** COC(=O)c1c(O)cccc1O
**Molecular Formula:** C8H8O4
**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_1711>. | O=C1CCCC1c1ccccc1 | |
What is the building block token for the following molecule? | O=C1CCCC1c1ccccc1 | <BB_1711> |
What is the molecular formula for <BB_1711>? | The molecular formula for <BB_1711> (O=C1CCCC1c1ccccc1) is C11H12O. | |
Describe the ring structures in building block <BB_1711>. | 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_1711>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_1711>. | **Token:** <BB_1711>
**SMILES:** O=C1CCCC1c1ccccc1
**Molecular Formula:** C11H12O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_1712>. | CC1NCCCO1 | |
What is the building block token for the following molecule? | CC1NCCCO1 | <BB_1712> |
What is the molecular formula for <BB_1712>? | The molecular formula for <BB_1712> (CC1NCCCO1) is C5H11NO. | |
Describe the ring structures in building block <BB_1712>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1712>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1712>. | **Token:** <BB_1712>
**SMILES:** CC1NCCCO1
**Molecular Formula:** C5H11NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1713>. | Cl.O=C(O)c1cc(Br)c2c(c1)CCN2 | |
What is the building block token for the following molecule? | Cl.O=C(O)c1cc(Br)c2c(c1)CCN2 | <BB_1713> |
What is the molecular formula for <BB_1713>? | The molecular formula for <BB_1713> (Cl.O=C(O)c1cc(Br)c2c(c1)CCN2) is C9H9BrClNO2. | |
Describe the ring structures in building block <BB_1713>. | 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_1713>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1713>. | **Token:** <BB_1713>
**SMILES:** Cl.O=C(O)c1cc(Br)c2c(c1)CCN2
**Molecular Formula:** C9H9BrClNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1714>. | COCc1ccc(C(C)=O)cc1 | |
What is the building block token for the following molecule? | COCc1ccc(C(C)=O)cc1 | <BB_1714> |
What is the molecular formula for <BB_1714>? | The molecular formula for <BB_1714> (COCc1ccc(C(C)=O)cc1) is C10H12O2. | |
Describe the ring structures in building block <BB_1714>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1714>. | The molecule contains the following groups: Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1714>. | **Token:** <BB_1714>
**SMILES:** COCc1ccc(C(C)=O)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_1715>. | Cc1c(CC(=O)O)c(Br)nn1C | |
What is the building block token for the following molecule? | Cc1c(CC(=O)O)c(Br)nn1C | <BB_1715> |
What is the molecular formula for <BB_1715>? | The molecular formula for <BB_1715> (Cc1c(CC(=O)O)c(Br)nn1C) is C7H9BrN2O2. | |
Describe the ring structures in building block <BB_1715>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1715>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1715>. | **Token:** <BB_1715>
**SMILES:** Cc1c(CC(=O)O)c(Br)nn1C
**Molecular Formula:** C7H9BrN2O2
**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_1716>. | O=C1CC(c2ccccc2Br)NC(=O)N1 | |
What is the building block token for the following molecule? | O=C1CC(c2ccccc2Br)NC(=O)N1 | <BB_1716> |
What is the molecular formula for <BB_1716>? | The molecular formula for <BB_1716> (O=C1CC(c2ccccc2Br)NC(=O)N1) is C10H9BrN2O2. | |
Describe the ring structures in building block <BB_1716>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6. |
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