instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_1666>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1666>. | **Token:** <BB_1666>
**SMILES:** CCO/C=C/C(=O)OCC
**Molecular Formula:** C7H12O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1667>. | CCNCC(O)CC | |
What is the building block token for the following molecule? | CCNCC(O)CC | <BB_1667> |
What is the molecular formula for <BB_1667>? | The molecular formula for <BB_1667> (CCNCC(O)CC) is C6H15NO. | |
Describe the ring structures in building block <BB_1667>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1667>. | The molecule contains the following groups: Secondary Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_1667>. | **Token:** <BB_1667>
**SMILES:** CCNCC(O)CC
**Molecular Formula:** C6H15NO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_1668>. | CCCNC(=O)CCl | |
What is the building block token for the following molecule? | CCCNC(=O)CCl | <BB_1668> |
What is the molecular formula for <BB_1668>? | The molecular formula for <BB_1668> (CCCNC(=O)CCl) is C5H10ClNO. | |
Describe the ring structures in building block <BB_1668>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1668>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1668>. | **Token:** <BB_1668>
**SMILES:** CCCNC(=O)CCl
**Molecular Formula:** C5H10ClNO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1669>. | CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCl)cc1 | |
What is the building block token for the following molecule? | CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCl)cc1 | <BB_1669> |
What is the molecular formula for <BB_1669>? | The molecular formula for <BB_1669> (CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCl)cc1) is C12H17ClN2O3S. | |
Describe the ring structures in building block <BB_1669>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1669>. | The molecule contains the following groups: Tertiary Amine, Amide, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1669>. | **Token:** <BB_1669>
**SMILES:** CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCl)cc1
**Molecular Formula:** C12H17ClN2O3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1670>. | COc1ccc(NC(=O)OCC(F)(F)F)cc1Cl | |
What is the building block token for the following molecule? | COc1ccc(NC(=O)OCC(F)(F)F)cc1Cl | <BB_1670> |
What is the molecular formula for <BB_1670>? | The molecular formula for <BB_1670> (COc1ccc(NC(=O)OCC(F)(F)F)cc1Cl) is C10H9ClF3NO3. | |
Describe the ring structures in building block <BB_1670>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1670>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1670>. | **Token:** <BB_1670>
**SMILES:** COc1ccc(NC(=O)OCC(F)(F)F)cc1Cl
**Molecular Formula:** C10H9ClF3NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1671>. | O=C(O)c1cc(-c2cccs2)no1 | |
What is the building block token for the following molecule? | O=C(O)c1cc(-c2cccs2)no1 | <BB_1671> |
What is the molecular formula for <BB_1671>? | The molecular formula for <BB_1671> (O=C(O)c1cc(-c2cccs2)no1) is C8H5NO3S. | |
Describe the ring structures in building block <BB_1671>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1671>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1671>. | **Token:** <BB_1671>
**SMILES:** O=C(O)c1cc(-c2cccs2)no1
**Molecular Formula:** C8H5NO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1672>. | O=C1CN(C(=O)OCC(F)(F)F)C1 | |
What is the building block token for the following molecule? | O=C1CN(C(=O)OCC(F)(F)F)C1 | <BB_1672> |
What is the molecular formula for <BB_1672>? | The molecular formula for <BB_1672> (O=C1CN(C(=O)OCC(F)(F)F)C1) is C6H6F3NO3. | |
Describe the ring structures in building block <BB_1672>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1672>. | The molecule contains the following groups: Amide, Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1672>. | **Token:** <BB_1672>
**SMILES:** O=C1CN(C(=O)OCC(F)(F)F)C1
**Molecular Formula:** C6H6F3NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amide, Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1673>. | COC1(C(F)(F)F)CCNC1.Cl | |
What is the building block token for the following molecule? | COC1(C(F)(F)F)CCNC1.Cl | <BB_1673> |
What is the molecular formula for <BB_1673>? | The molecular formula for <BB_1673> (COC1(C(F)(F)F)CCNC1.Cl) is C6H11ClF3NO. | |
Describe the ring structures in building block <BB_1673>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1673>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1673>. | **Token:** <BB_1673>
**SMILES:** COC1(C(F)(F)F)CCNC1.Cl
**Molecular Formula:** C6H11ClF3NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1674>. | Cc1cccc(NCC(C)(C)C)n1 | |
What is the building block token for the following molecule? | Cc1cccc(NCC(C)(C)C)n1 | <BB_1674> |
What is the molecular formula for <BB_1674>? | The molecular formula for <BB_1674> (Cc1cccc(NCC(C)(C)C)n1) is C11H18N2. | |
Describe the ring structures in building block <BB_1674>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1674>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1674>. | **Token:** <BB_1674>
**SMILES:** Cc1cccc(NCC(C)(C)C)n1
**Molecular Formula:** C11H18N2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_1675>. | Cc1cccc(C(=O)c2ccccn2)c1 | |
What is the building block token for the following molecule? | Cc1cccc(C(=O)c2ccccn2)c1 | <BB_1675> |
What is the molecular formula for <BB_1675>? | The molecular formula for <BB_1675> (Cc1cccc(C(=O)c2ccccn2)c1) is C13H11NO. | |
Describe the ring structures in building block <BB_1675>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1675>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_1675>. | **Token:** <BB_1675>
**SMILES:** Cc1cccc(C(=O)c2ccccn2)c1
**Molecular Formula:** C13H11NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_1676>. | OCc1c(Cl)nc(C2CC2)nc1Cl | |
What is the building block token for the following molecule? | OCc1c(Cl)nc(C2CC2)nc1Cl | <BB_1676> |
What is the molecular formula for <BB_1676>? | The molecular formula for <BB_1676> (OCc1c(Cl)nc(C2CC2)nc1Cl) is C8H8Cl2N2O. | |
Describe the ring structures in building block <BB_1676>. | 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_1676>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1676>. | **Token:** <BB_1676>
**SMILES:** OCc1c(Cl)nc(C2CC2)nc1Cl
**Molecular Formula:** C8H8Cl2N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1677>. | CNC(=O)C(C)(C)C(=O)O | |
What is the building block token for the following molecule? | CNC(=O)C(C)(C)C(=O)O | <BB_1677> |
What is the molecular formula for <BB_1677>? | The molecular formula for <BB_1677> (CNC(=O)C(C)(C)C(=O)O) is C6H11NO3. | |
Describe the ring structures in building block <BB_1677>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1677>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1677>. | **Token:** <BB_1677>
**SMILES:** CNC(=O)C(C)(C)C(=O)O
**Molecular Formula:** C6H11NO3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_1678>. | COC(=O)c1cc(C)c(I)s1 | |
What is the building block token for the following molecule? | COC(=O)c1cc(C)c(I)s1 | <BB_1678> |
What is the molecular formula for <BB_1678>? | The molecular formula for <BB_1678> (COC(=O)c1cc(C)c(I)s1) is C7H7IO2S. | |
Describe the ring structures in building block <BB_1678>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1678>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1678>. | **Token:** <BB_1678>
**SMILES:** COC(=O)c1cc(C)c(I)s1
**Molecular Formula:** C7H7IO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1679>. | Cc1cccc(C)c1NC(=O)CNC(=O)C(C)Cl | |
What is the building block token for the following molecule? | Cc1cccc(C)c1NC(=O)CNC(=O)C(C)Cl | <BB_1679> |
What is the molecular formula for <BB_1679>? | The molecular formula for <BB_1679> (Cc1cccc(C)c1NC(=O)CNC(=O)C(C)Cl) is C13H17ClN2O2. | |
Describe the ring structures in building block <BB_1679>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1679>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1679>. | **Token:** <BB_1679>
**SMILES:** Cc1cccc(C)c1NC(=O)CNC(=O)C(C)Cl
**Molecular Formula:** C13H17ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1680>. | ICCCC1CC1 | |
What is the building block token for the following molecule? | ICCCC1CC1 | <BB_1680> |
What is the molecular formula for <BB_1680>? | The molecular formula for <BB_1680> (ICCCC1CC1) is C6H11I. | |
Describe the ring structures in building block <BB_1680>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1680>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1680>. | **Token:** <BB_1680>
**SMILES:** ICCCC1CC1
**Molecular Formula:** C6H11I
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1681>. | CCc1ccc(C=O)c(O)c1 | |
What is the building block token for the following molecule? | CCc1ccc(C=O)c(O)c1 | <BB_1681> |
What is the molecular formula for <BB_1681>? | The molecular formula for <BB_1681> (CCc1ccc(C=O)c(O)c1) is C9H10O2. | |
Describe the ring structures in building block <BB_1681>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1681>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_1681>. | **Token:** <BB_1681>
**SMILES:** CCc1ccc(C=O)c(O)c1
**Molecular Formula:** C9H10O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_1682>. | C=CC(C)(O)CC1CC2CCC1C2 | |
What is the building block token for the following molecule? | C=CC(C)(O)CC1CC2CCC1C2 | <BB_1682> |
What is the molecular formula for <BB_1682>? | The molecular formula for <BB_1682> (C=CC(C)(O)CC1CC2CCC1C2) is C12H20O. | |
Describe the ring structures in building block <BB_1682>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1682>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_1682>. | **Token:** <BB_1682>
**SMILES:** C=CC(C)(O)CC1CC2CCC1C2
**Molecular Formula:** C12H20O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_1683>. | O=C(O)c1ccc(CN2CCCC2=O)cc1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc(CN2CCCC2=O)cc1 | <BB_1683> |
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