instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_1716>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1716>. | **Token:** <BB_1716>
**SMILES:** O=C1CC(c2ccccc2Br)NC(=O)N1
**Molecular Formula:** C10H9BrN2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1717>. | CC(C)c1nn(C)c(Cl)c1C=O | |
What is the building block token for the following molecule? | CC(C)c1nn(C)c(Cl)c1C=O | <BB_1717> |
What is the molecular formula for <BB_1717>? | The molecular formula for <BB_1717> (CC(C)c1nn(C)c(Cl)c1C=O) is C8H11ClN2O. | |
Describe the ring structures in building block <BB_1717>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1717>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1717>. | **Token:** <BB_1717>
**SMILES:** CC(C)c1nn(C)c(Cl)c1C=O
**Molecular Formula:** C8H11ClN2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1718>. | C=CCN1CCN(C(=O)OC(C)(C)C)C(C)C1=O | |
What is the building block token for the following molecule? | C=CCN1CCN(C(=O)OC(C)(C)C)C(C)C1=O | <BB_1718> |
What is the molecular formula for <BB_1718>? | The molecular formula for <BB_1718> (C=CCN1CCN(C(=O)OC(C)(C)C)C(C)C1=O) is C13H22N2O3. | |
Describe the ring structures in building block <BB_1718>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1718>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1718>. | **Token:** <BB_1718>
**SMILES:** C=CCN1CCN(C(=O)OC(C)(C)C)C(C)C1=O
**Molecular Formula:** C13H22N2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1719>. | Cc1nc(-c2ccc(C(=O)O)cc2)cs1 | |
What is the building block token for the following molecule? | Cc1nc(-c2ccc(C(=O)O)cc2)cs1 | <BB_1719> |
What is the molecular formula for <BB_1719>? | The molecular formula for <BB_1719> (Cc1nc(-c2ccc(C(=O)O)cc2)cs1) is C11H9NO2S. | |
Describe the ring structures in building block <BB_1719>. | 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_1719>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1719>. | **Token:** <BB_1719>
**SMILES:** Cc1nc(-c2ccc(C(=O)O)cc2)cs1
**Molecular Formula:** C11H9NO2S
**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_1720>. | FC1(F)CCC2(CC1)CC(Br)C2 | |
What is the building block token for the following molecule? | FC1(F)CCC2(CC1)CC(Br)C2 | <BB_1720> |
What is the molecular formula for <BB_1720>? | The molecular formula for <BB_1720> (FC1(F)CCC2(CC1)CC(Br)C2) is C9H13BrF2. | |
Describe the ring structures in building block <BB_1720>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1720>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1720>. | **Token:** <BB_1720>
**SMILES:** FC1(F)CCC2(CC1)CC(Br)C2
**Molecular Formula:** C9H13BrF2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1721>. | Brc1ccccc1-c1noc(C2CCCN2)n1 | |
What is the building block token for the following molecule? | Brc1ccccc1-c1noc(C2CCCN2)n1 | <BB_1721> |
What is the molecular formula for <BB_1721>? | The molecular formula for <BB_1721> (Brc1ccccc1-c1noc(C2CCCN2)n1) is C12H12BrN3O. | |
Describe the ring structures in building block <BB_1721>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1721>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1721>. | **Token:** <BB_1721>
**SMILES:** Brc1ccccc1-c1noc(C2CCCN2)n1
**Molecular Formula:** C12H12BrN3O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1722>. | O=S([O-])c1cnc(Cl)nc1Cl.[Li+] | |
What is the building block token for the following molecule? | O=S([O-])c1cnc(Cl)nc1Cl.[Li+] | <BB_1722> |
What is the molecular formula for <BB_1722>? | The molecular formula for <BB_1722> (O=S([O-])c1cnc(Cl)nc1Cl.[Li+]) is C4HCl2LiN2O2S. | |
Describe the ring structures in building block <BB_1722>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1722>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1722>. | **Token:** <BB_1722>
**SMILES:** O=S([O-])c1cnc(Cl)nc1Cl.[Li+]
**Molecular Formula:** C4HCl2LiN2O2S
**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_1723>. | Cl.Cl.Fc1ccc(C2CCNCC2)nc1 | |
What is the building block token for the following molecule? | Cl.Cl.Fc1ccc(C2CCNCC2)nc1 | <BB_1723> |
What is the molecular formula for <BB_1723>? | The molecular formula for <BB_1723> (Cl.Cl.Fc1ccc(C2CCNCC2)nc1) is C10H15Cl2FN2. | |
Describe the ring structures in building block <BB_1723>. | 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_1723>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1723>. | **Token:** <BB_1723>
**SMILES:** Cl.Cl.Fc1ccc(C2CCNCC2)nc1
**Molecular Formula:** C10H15Cl2FN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1724>. | CCn1ccc(CCl)n1 | |
What is the building block token for the following molecule? | CCn1ccc(CCl)n1 | <BB_1724> |
What is the molecular formula for <BB_1724>? | The molecular formula for <BB_1724> (CCn1ccc(CCl)n1) is C6H9ClN2. | |
Describe the ring structures in building block <BB_1724>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1724>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1724>. | **Token:** <BB_1724>
**SMILES:** CCn1ccc(CCl)n1
**Molecular Formula:** C6H9ClN2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1725>. | Cl.NNc1ccc(F)cc1F | |
What is the building block token for the following molecule? | Cl.NNc1ccc(F)cc1F | <BB_1725> |
What is the molecular formula for <BB_1725>? | The molecular formula for <BB_1725> (Cl.NNc1ccc(F)cc1F) is C6H7ClF2N2. | |
Describe the ring structures in building block <BB_1725>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1725>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1725>. | **Token:** <BB_1725>
**SMILES:** Cl.NNc1ccc(F)cc1F
**Molecular Formula:** C6H7ClF2N2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1726>. | COc1ccc(C(=O)O)c(C#N)c1 | |
What is the building block token for the following molecule? | COc1ccc(C(=O)O)c(C#N)c1 | <BB_1726> |
What is the molecular formula for <BB_1726>? | The molecular formula for <BB_1726> (COc1ccc(C(=O)O)c(C#N)c1) is C9H7NO3. | |
Describe the ring structures in building block <BB_1726>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1726>. | The molecule contains the following groups: Carboxylic Acid, Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1726>. | **Token:** <BB_1726>
**SMILES:** COc1ccc(C(=O)O)c(C#N)c1
**Molecular Formula:** C9H7NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_1727>. | Cl.O=C(O)c1ccc2cnccc2c1 | |
What is the building block token for the following molecule? | Cl.O=C(O)c1ccc2cnccc2c1 | <BB_1727> |
What is the molecular formula for <BB_1727>? | The molecular formula for <BB_1727> (Cl.O=C(O)c1ccc2cnccc2c1) is C10H8ClNO2. | |
Describe the ring structures in building block <BB_1727>. | 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_1727>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1727>. | **Token:** <BB_1727>
**SMILES:** Cl.O=C(O)c1ccc2cnccc2c1
**Molecular Formula:** C10H8ClNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, 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_1728>. | Oc1ccc(C=Cc2ccncc2)cc1 | |
What is the building block token for the following molecule? | Oc1ccc(C=Cc2ccncc2)cc1 | <BB_1728> |
What is the molecular formula for <BB_1728>? | The molecular formula for <BB_1728> (Oc1ccc(C=Cc2ccncc2)cc1) is C13H11NO. | |
Describe the ring structures in building block <BB_1728>. | 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_1728>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1728>. | **Token:** <BB_1728>
**SMILES:** Oc1ccc(C=Cc2ccncc2)cc1
**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:** None specific | |
Provide the SMILES representation for the building block token <BB_1729>. | C#CCn1c(SC)nc(C)cc1=O | |
What is the building block token for the following molecule? | C#CCn1c(SC)nc(C)cc1=O | <BB_1729> |
What is the molecular formula for <BB_1729>? | The molecular formula for <BB_1729> (C#CCn1c(SC)nc(C)cc1=O) is C9H10N2OS. | |
Describe the ring structures in building block <BB_1729>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1729>. | The molecule contains the following groups: Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_1729>. | **Token:** <BB_1729>
**SMILES:** C#CCn1c(SC)nc(C)cc1=O
**Molecular Formula:** C9H10N2OS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Sulfide | |
Provide the SMILES representation for the building block token <BB_1730>. | CC(C)(C)OC(=O)Nc1cnc(F)nc1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)Nc1cnc(F)nc1 | <BB_1730> |
What is the molecular formula for <BB_1730>? | The molecular formula for <BB_1730> (CC(C)(C)OC(=O)Nc1cnc(F)nc1) is C9H12FN3O2. | |
Describe the ring structures in building block <BB_1730>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1730>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1730>. | **Token:** <BB_1730>
**SMILES:** CC(C)(C)OC(=O)Nc1cnc(F)nc1
**Molecular Formula:** C9H12FN3O2
**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_1731>. | CN(C)/C=C1\CCC1=O | |
What is the building block token for the following molecule? | CN(C)/C=C1\CCC1=O | <BB_1731> |
What is the molecular formula for <BB_1731>? | The molecular formula for <BB_1731> (CN(C)/C=C1\CCC1=O) is C7H11NO. | |
Describe the ring structures in building block <BB_1731>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1731>. | The molecule contains the following groups: Tertiary Amine, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_1731>. | **Token:** <BB_1731>
**SMILES:** CN(C)/C=C1\CCC1=O
**Molecular Formula:** C7H11NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Tertiary Amine, Ketone | |
Provide the SMILES representation for the building block token <BB_1732>. | CN(C)S(=O)(=N[Si](C)(C)C(C)(C)C)n1ccnc1 | |
What is the building block token for the following molecule? | CN(C)S(=O)(=N[Si](C)(C)C(C)(C)C)n1ccnc1 | <BB_1732> |
What is the molecular formula for <BB_1732>? | The molecular formula for <BB_1732> (CN(C)S(=O)(=N[Si](C)(C)C(C)(C)C)n1ccnc1) is C11H24N4OSSi. | |
Describe the ring structures in building block <BB_1732>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1732>. | The molecule contains the following groups: Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1732>. | **Token:** <BB_1732>
**SMILES:** CN(C)S(=O)(=N[Si](C)(C)C(C)(C)C)n1ccnc1
**Molecular Formula:** C11H24N4OSSi
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_1733>. | Cl.NC[C@@H]1CC[C@H]1CO | |
What is the building block token for the following molecule? | Cl.NC[C@@H]1CC[C@H]1CO | <BB_1733> |
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