instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_9150>. | COC(=O)C1CCC(=O)C(F)C1 | |
What is the building block token for the following molecule? | COC(=O)C1CCC(=O)C(F)C1 | <BB_9150> |
What is the molecular formula for <BB_9150>? | The molecular formula for <BB_9150> (COC(=O)C1CCC(=O)C(F)C1) is C8H11FO3. | |
Describe the ring structures in building block <BB_9150>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9150>. | The molecule contains the following groups: Ester, Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9150>. | **Token:** <BB_9150>
**SMILES:** COC(=O)C1CCC(=O)C(F)C1
**Molecular Formula:** C8H11FO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Ester, Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9151>. | Cn1cc(C=O)c(-c2ccccc2Br)n1 | |
What is the building block token for the following molecule? | Cn1cc(C=O)c(-c2ccccc2Br)n1 | <BB_9151> |
What is the molecular formula for <BB_9151>? | The molecular formula for <BB_9151> (Cn1cc(C=O)c(-c2ccccc2Br)n1) is C11H9BrN2O. | |
Describe the ring structures in building block <BB_9151>. | 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_9151>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9151>. | **Token:** <BB_9151>
**SMILES:** Cn1cc(C=O)c(-c2ccccc2Br)n1
**Molecular Formula:** C11H9BrN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9152>. | COc1cc(CCN)cc(C)n1 | |
What is the building block token for the following molecule? | COc1cc(CCN)cc(C)n1 | <BB_9152> |
What is the molecular formula for <BB_9152>? | The molecular formula for <BB_9152> (COc1cc(CCN)cc(C)n1) is C9H14N2O. | |
Describe the ring structures in building block <BB_9152>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9152>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9152>. | **Token:** <BB_9152>
**SMILES:** COc1cc(CCN)cc(C)n1
**Molecular Formula:** C9H14N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9153>. | O=C(O)c1cc2cc(Cl)ccc2s1 | |
What is the building block token for the following molecule? | O=C(O)c1cc2cc(Cl)ccc2s1 | <BB_9153> |
What is the molecular formula for <BB_9153>? | The molecular formula for <BB_9153> (O=C(O)c1cc2cc(Cl)ccc2s1) is C9H5ClO2S. | |
Describe the ring structures in building block <BB_9153>. | 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_9153>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9153>. | **Token:** <BB_9153>
**SMILES:** O=C(O)c1cc2cc(Cl)ccc2s1
**Molecular Formula:** C9H5ClO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_9154>. | CCC(=O)c1ccccn1 | |
What is the building block token for the following molecule? | CCC(=O)c1ccccn1 | <BB_9154> |
What is the molecular formula for <BB_9154>? | The molecular formula for <BB_9154> (CCC(=O)c1ccccn1) is C8H9NO. | |
Describe the ring structures in building block <BB_9154>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9154>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_9154>. | **Token:** <BB_9154>
**SMILES:** CCC(=O)c1ccccn1
**Molecular Formula:** C8H9NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_9155>. | Cl.Cl.NNc1ccc(NN)cc1 | |
What is the building block token for the following molecule? | Cl.Cl.NNc1ccc(NN)cc1 | <BB_9155> |
What is the molecular formula for <BB_9155>? | The molecular formula for <BB_9155> (Cl.Cl.NNc1ccc(NN)cc1) is C6H12Cl2N4. | |
Describe the ring structures in building block <BB_9155>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9155>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9155>. | **Token:** <BB_9155>
**SMILES:** Cl.Cl.NNc1ccc(NN)cc1
**Molecular Formula:** C6H12Cl2N4
**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_9156>. | Brc1ccn2c(Br)ncc2c1 | |
What is the building block token for the following molecule? | Brc1ccn2c(Br)ncc2c1 | <BB_9156> |
What is the molecular formula for <BB_9156>? | The molecular formula for <BB_9156> (Brc1ccn2c(Br)ncc2c1) is C7H4Br2N2. | |
Describe the ring structures in building block <BB_9156>. | 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_9156>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9156>. | **Token:** <BB_9156>
**SMILES:** Brc1ccn2c(Br)ncc2c1
**Molecular Formula:** C7H4Br2N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9157>. | CC(C)Cc1nc(CCl)cs1.Cl | |
What is the building block token for the following molecule? | CC(C)Cc1nc(CCl)cs1.Cl | <BB_9157> |
What is the molecular formula for <BB_9157>? | The molecular formula for <BB_9157> (CC(C)Cc1nc(CCl)cs1.Cl) is C8H13Cl2NS. | |
Describe the ring structures in building block <BB_9157>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9157>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9157>. | **Token:** <BB_9157>
**SMILES:** CC(C)Cc1nc(CCl)cs1.Cl
**Molecular Formula:** C8H13Cl2NS
**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_9158>. | NCC(F)(F)C1(O)CCOCC1 | |
What is the building block token for the following molecule? | NCC(F)(F)C1(O)CCOCC1 | <BB_9158> |
What is the molecular formula for <BB_9158>? | The molecular formula for <BB_9158> (NCC(F)(F)C1(O)CCOCC1) is C7H13F2NO2. | |
Describe the ring structures in building block <BB_9158>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9158>. | The molecule contains the following groups: Amine, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9158>. | **Token:** <BB_9158>
**SMILES:** NCC(F)(F)C1(O)CCOCC1
**Molecular Formula:** C7H13F2NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9159>. | O=C(c1ccc(Cl)cc1)c1cncnc1 | |
What is the building block token for the following molecule? | O=C(c1ccc(Cl)cc1)c1cncnc1 | <BB_9159> |
What is the molecular formula for <BB_9159>? | The molecular formula for <BB_9159> (O=C(c1ccc(Cl)cc1)c1cncnc1) is C11H7ClN2O. | |
Describe the ring structures in building block <BB_9159>. | 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_9159>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9159>. | **Token:** <BB_9159>
**SMILES:** O=C(c1ccc(Cl)cc1)c1cncnc1
**Molecular Formula:** C11H7ClN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9160>. | CNc1c(N)cnc2ccc(Br)cc12 | |
What is the building block token for the following molecule? | CNc1c(N)cnc2ccc(Br)cc12 | <BB_9160> |
What is the molecular formula for <BB_9160>? | The molecular formula for <BB_9160> (CNc1c(N)cnc2ccc(Br)cc12) is C10H10BrN3. | |
Describe the ring structures in building block <BB_9160>. | 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_9160>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9160>. | **Token:** <BB_9160>
**SMILES:** CNc1c(N)cnc2ccc(Br)cc12
**Molecular Formula:** C10H10BrN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, 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_9161>. | Cl.OCC12CCC(CC1)N2 | |
What is the building block token for the following molecule? | Cl.OCC12CCC(CC1)N2 | <BB_9161> |
What is the molecular formula for <BB_9161>? | The molecular formula for <BB_9161> (Cl.OCC12CCC(CC1)N2) is C7H14ClNO. | |
Describe the ring structures in building block <BB_9161>. | 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_9161>. | The molecule contains the following groups: Secondary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9161>. | **Token:** <BB_9161>
**SMILES:** Cl.OCC12CCC(CC1)N2
**Molecular Formula:** C7H14ClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9162>. | N#Cc1cc([N+](=O)[O-])cnc1O | |
What is the building block token for the following molecule? | N#Cc1cc([N+](=O)[O-])cnc1O | <BB_9162> |
What is the molecular formula for <BB_9162>? | The molecular formula for <BB_9162> (N#Cc1cc([N+](=O)[O-])cnc1O) is C6H3N3O3. | |
Describe the ring structures in building block <BB_9162>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9162>. | The molecule contains the following groups: Tertiary Amine, Nitrile, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9162>. | **Token:** <BB_9162>
**SMILES:** N#Cc1cc([N+](=O)[O-])cnc1O
**Molecular Formula:** C6H3N3O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Nitrile, Nitro | |
Provide the SMILES representation for the building block token <BB_9163>. | C#CCCCn1cc(N)cn1.Cl.Cl | |
What is the building block token for the following molecule? | C#CCCCn1cc(N)cn1.Cl.Cl | <BB_9163> |
What is the molecular formula for <BB_9163>? | The molecular formula for <BB_9163> (C#CCCCn1cc(N)cn1.Cl.Cl) is C8H13Cl2N3. | |
Describe the ring structures in building block <BB_9163>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9163>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9163>. | **Token:** <BB_9163>
**SMILES:** C#CCCCn1cc(N)cn1.Cl.Cl
**Molecular Formula:** C8H13Cl2N3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9164>. | O=[N+]([O-])c1ccc(F)c2nsnc12 | |
What is the building block token for the following molecule? | O=[N+]([O-])c1ccc(F)c2nsnc12 | <BB_9164> |
What is the molecular formula for <BB_9164>? | The molecular formula for <BB_9164> (O=[N+]([O-])c1ccc(F)c2nsnc12) is C6H2FN3O2S. | |
Describe the ring structures in building block <BB_9164>. | 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_9164>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9164>. | **Token:** <BB_9164>
**SMILES:** O=[N+]([O-])c1ccc(F)c2nsnc12
**Molecular Formula:** C6H2FN3O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_9165>. | CN1CCc2c(sc(N)c2C#N)C1 | |
What is the building block token for the following molecule? | CN1CCc2c(sc(N)c2C#N)C1 | <BB_9165> |
What is the molecular formula for <BB_9165>? | The molecular formula for <BB_9165> (CN1CCc2c(sc(N)c2C#N)C1) is C9H11N3S. | |
Describe the ring structures in building block <BB_9165>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9165>. | The molecule contains the following groups: Amine, Tertiary Amine, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9165>. | **Token:** <BB_9165>
**SMILES:** CN1CCc2c(sc(N)c2C#N)C1
**Molecular Formula:** C9H11N3S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Tertiary Amine, Nitrile | |
Provide the SMILES representation for the building block token <BB_9166>. | Cc1c(Br)cnn1C(F)F | |
What is the building block token for the following molecule? | Cc1c(Br)cnn1C(F)F | <BB_9166> |
What is the molecular formula for <BB_9166>? | The molecular formula for <BB_9166> (Cc1c(Br)cnn1C(F)F) is C5H5BrF2N2. | |
Describe the ring structures in building block <BB_9166>. | The molecule contains 1 ring(s): an aromatic ring of size 5. |
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