instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_616>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_616>. | **Token:** <BB_616>
**SMILES:** Cl.Nc1cccc(F)c1OC(F)(F)F
**Molecular Formula:** C7H6ClF4NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_617>. | Cl.NCCCl | |
What is the building block token for the following molecule? | Cl.NCCCl | <BB_617> |
What is the molecular formula for <BB_617>? | The molecular formula for <BB_617> (Cl.NCCCl) is C2H7Cl2N. | |
Describe the ring structures in building block <BB_617>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_617>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_617>. | **Token:** <BB_617>
**SMILES:** Cl.NCCCl
**Molecular Formula:** C2H7Cl2N
**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_618>. | Cc1cc(N)c(N)c(F)c1.Cl.Cl | |
What is the building block token for the following molecule? | Cc1cc(N)c(N)c(F)c1.Cl.Cl | <BB_618> |
What is the molecular formula for <BB_618>? | The molecular formula for <BB_618> (Cc1cc(N)c(N)c(F)c1.Cl.Cl) is C7H11Cl2FN2. | |
Describe the ring structures in building block <BB_618>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_618>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_618>. | **Token:** <BB_618>
**SMILES:** Cc1cc(N)c(N)c(F)c1.Cl.Cl
**Molecular Formula:** C7H11Cl2FN2
**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_619>. | COc1ccccc1CC(=O)C(=O)O | |
What is the building block token for the following molecule? | COc1ccccc1CC(=O)C(=O)O | <BB_619> |
What is the molecular formula for <BB_619>? | The molecular formula for <BB_619> (COc1ccccc1CC(=O)C(=O)O) is C10H10O4. | |
Describe the ring structures in building block <BB_619>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_619>. | The molecule contains the following groups: Carboxylic Acid, Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_619>. | **Token:** <BB_619>
**SMILES:** COc1ccccc1CC(=O)C(=O)O
**Molecular Formula:** C10H10O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_620>. | CC1(N)CCN(c2ccc(F)cc2)C1.Cl.Cl | |
What is the building block token for the following molecule? | CC1(N)CCN(c2ccc(F)cc2)C1.Cl.Cl | <BB_620> |
What is the molecular formula for <BB_620>? | The molecular formula for <BB_620> (CC1(N)CCN(c2ccc(F)cc2)C1.Cl.Cl) is C11H17Cl2FN2. | |
Describe the ring structures in building block <BB_620>. | 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_620>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_620>. | **Token:** <BB_620>
**SMILES:** CC1(N)CCN(c2ccc(F)cc2)C1.Cl.Cl
**Molecular Formula:** C11H17Cl2FN2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_621>. | O=C(O)C1CC12CCCCCC2 | |
What is the building block token for the following molecule? | O=C(O)C1CC12CCCCCC2 | <BB_621> |
What is the molecular formula for <BB_621>? | The molecular formula for <BB_621> (O=C(O)C1CC12CCCCCC2) is C10H16O2. | |
Describe the ring structures in building block <BB_621>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_621>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_621>. | **Token:** <BB_621>
**SMILES:** O=C(O)C1CC12CCCCCC2
**Molecular Formula:** C10H16O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 7.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_622>. | CSc1cccc(C(N)=O)c1N | |
What is the building block token for the following molecule? | CSc1cccc(C(N)=O)c1N | <BB_622> |
What is the molecular formula for <BB_622>? | The molecular formula for <BB_622> (CSc1cccc(C(N)=O)c1N) is C8H10N2OS. | |
Describe the ring structures in building block <BB_622>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_622>. | The molecule contains the following groups: Amine, Amide, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_622>. | **Token:** <BB_622>
**SMILES:** CSc1cccc(C(N)=O)c1N
**Molecular Formula:** C8H10N2OS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Sulfide | |
Provide the SMILES representation for the building block token <BB_623>. | O=C(O)C12CC1CCNC2=O | |
What is the building block token for the following molecule? | O=C(O)C12CC1CCNC2=O | <BB_623> |
What is the molecular formula for <BB_623>? | The molecular formula for <BB_623> (O=C(O)C12CC1CCNC2=O) is C7H9NO3. | |
Describe the ring structures in building block <BB_623>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_623>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_623>. | **Token:** <BB_623>
**SMILES:** O=C(O)C12CC1CCNC2=O
**Molecular Formula:** C7H9NO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_624>. | OCC1CCCC2(CC2)C1 | |
What is the building block token for the following molecule? | OCC1CCCC2(CC2)C1 | <BB_624> |
What is the molecular formula for <BB_624>? | The molecular formula for <BB_624> (OCC1CCCC2(CC2)C1) is C9H16O. | |
Describe the ring structures in building block <BB_624>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_624>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_624>. | **Token:** <BB_624>
**SMILES:** OCC1CCCC2(CC2)C1
**Molecular Formula:** C9H16O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_625>. | N#CCn1cccc(Br)c1=O | |
What is the building block token for the following molecule? | N#CCn1cccc(Br)c1=O | <BB_625> |
What is the molecular formula for <BB_625>? | The molecular formula for <BB_625> (N#CCn1cccc(Br)c1=O) is C7H5BrN2O. | |
Describe the ring structures in building block <BB_625>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_625>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_625>. | **Token:** <BB_625>
**SMILES:** N#CCn1cccc(Br)c1=O
**Molecular Formula:** C7H5BrN2O
**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_626>. | CN(C)C(=O)Sc1ccc2c(c1)CCCC2=O | |
What is the building block token for the following molecule? | CN(C)C(=O)Sc1ccc2c(c1)CCCC2=O | <BB_626> |
What is the molecular formula for <BB_626>? | The molecular formula for <BB_626> (CN(C)C(=O)Sc1ccc2c(c1)CCCC2=O) is C13H15NO2S. | |
Describe the ring structures in building block <BB_626>. | 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_626>. | The molecule contains the following groups: Amide, Ketone, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_626>. | **Token:** <BB_626>
**SMILES:** CN(C)C(=O)Sc1ccc2c(c1)CCCC2=O
**Molecular Formula:** C13H15NO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amide, Ketone, Sulfide | |
Provide the SMILES representation for the building block token <BB_627>. | O=C(O)c1ccccc1-c1nc2ccccc2s1 | |
What is the building block token for the following molecule? | O=C(O)c1ccccc1-c1nc2ccccc2s1 | <BB_627> |
What is the molecular formula for <BB_627>? | The molecular formula for <BB_627> (O=C(O)c1ccccc1-c1nc2ccccc2s1) is C14H9NO2S. | |
Describe the ring structures in building block <BB_627>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_627>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_627>. | **Token:** <BB_627>
**SMILES:** O=C(O)c1ccccc1-c1nc2ccccc2s1
**Molecular Formula:** C14H9NO2S
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, 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_628>. | CC(C)(O)/C=C/B1OC(C)(C)C(C)(C)O1 | |
What is the building block token for the following molecule? | CC(C)(O)/C=C/B1OC(C)(C)C(C)(C)O1 | <BB_628> |
What is the molecular formula for <BB_628>? | The molecular formula for <BB_628> (CC(C)(O)/C=C/B1OC(C)(C)C(C)(C)O1) is C11H21BO3. | |
Describe the ring structures in building block <BB_628>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_628>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_628>. | **Token:** <BB_628>
**SMILES:** CC(C)(O)/C=C/B1OC(C)(C)C(C)(C)O1
**Molecular Formula:** C11H21BO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_629>. | Cc1nc2sccn2c1C#N | |
What is the building block token for the following molecule? | Cc1nc2sccn2c1C#N | <BB_629> |
What is the molecular formula for <BB_629>? | The molecular formula for <BB_629> (Cc1nc2sccn2c1C#N) is C7H5N3S. | |
Describe the ring structures in building block <BB_629>. | 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_629>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_629>. | **Token:** <BB_629>
**SMILES:** Cc1nc2sccn2c1C#N
**Molecular Formula:** C7H5N3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_630>. | CC(C)n1ncc2c(=O)[nH]cnc21 | |
What is the building block token for the following molecule? | CC(C)n1ncc2c(=O)[nH]cnc21 | <BB_630> |
What is the molecular formula for <BB_630>? | The molecular formula for <BB_630> (CC(C)n1ncc2c(=O)[nH]cnc21) is C8H10N4O. | |
Describe the ring structures in building block <BB_630>. | 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_630>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_630>. | **Token:** <BB_630>
**SMILES:** CC(C)n1ncc2c(=O)[nH]cnc21
**Molecular Formula:** C8H10N4O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_631>. | Brc1cncc(C2OCCO2)c1 | |
What is the building block token for the following molecule? | Brc1cncc(C2OCCO2)c1 | <BB_631> |
What is the molecular formula for <BB_631>? | The molecular formula for <BB_631> (Brc1cncc(C2OCCO2)c1) is C8H8BrNO2. | |
Describe the ring structures in building block <BB_631>. | 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_631>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_631>. | **Token:** <BB_631>
**SMILES:** Brc1cncc(C2OCCO2)c1
**Molecular Formula:** C8H8BrNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_632>. | Nc1ccc2c(C(=O)O)n[nH]c2c1 | |
What is the building block token for the following molecule? | Nc1ccc2c(C(=O)O)n[nH]c2c1 | <BB_632> |
What is the molecular formula for <BB_632>? | The molecular formula for <BB_632> (Nc1ccc2c(C(=O)O)n[nH]c2c1) is C8H7N3O2. | |
Describe the ring structures in building block <BB_632>. | 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_632>. | The molecule contains the following groups: Carboxylic Acid, Amine. | |
Provide a comprehensive chemical profile for the building block <BB_632>. | **Token:** <BB_632>
**SMILES:** Nc1ccc2c(C(=O)O)n[nH]c2c1
**Molecular Formula:** C8H7N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amine | |
Provide the SMILES representation for the building block token <BB_633>. | O=S(=O)(Cl)c1cc2c(Br)cncc2s1 | |
What is the building block token for the following molecule? | O=S(=O)(Cl)c1cc2c(Br)cncc2s1 | <BB_633> |
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