instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_16>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_16>. | **Token:** <BB_16>
**SMILES:** Fc1ccc(CCN2CCNCC2)cc1
**Molecular Formula:** C12H17FN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_17>. | CCOC(=O)c1nc(CN)c2n1CCCC2.Cl.Cl | |
What is the building block token for the following molecule? | CCOC(=O)c1nc(CN)c2n1CCCC2.Cl.Cl | <BB_17> |
What is the molecular formula for <BB_17>? | The molecular formula for <BB_17> (CCOC(=O)c1nc(CN)c2n1CCCC2.Cl.Cl) is C11H19Cl2N3O2. | |
Describe the ring structures in building block <BB_17>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_17>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_17>. | **Token:** <BB_17>
**SMILES:** CCOC(=O)c1nc(CN)c2n1CCCC2.Cl.Cl
**Molecular Formula:** C11H19Cl2N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_18>. | Cc1nn(C(F)(F)F)c(C)c1C(=O)O | |
What is the building block token for the following molecule? | Cc1nn(C(F)(F)F)c(C)c1C(=O)O | <BB_18> |
What is the molecular formula for <BB_18>? | The molecular formula for <BB_18> (Cc1nn(C(F)(F)F)c(C)c1C(=O)O) is C7H7F3N2O2. | |
Describe the ring structures in building block <BB_18>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_18>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_18>. | **Token:** <BB_18>
**SMILES:** Cc1nn(C(F)(F)F)c(C)c1C(=O)O
**Molecular Formula:** C7H7F3N2O2
**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_19>. | NC(=O)c1ccnnc1 | |
What is the building block token for the following molecule? | NC(=O)c1ccnnc1 | <BB_19> |
What is the molecular formula for <BB_19>? | The molecular formula for <BB_19> (NC(=O)c1ccnnc1) is C5H5N3O. | |
Describe the ring structures in building block <BB_19>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_19>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_19>. | **Token:** <BB_19>
**SMILES:** NC(=O)c1ccnnc1
**Molecular Formula:** C5H5N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_20>. | CC(=O)c1ccc(C#N)cc1 | |
What is the building block token for the following molecule? | CC(=O)c1ccc(C#N)cc1 | <BB_20> |
What is the molecular formula for <BB_20>? | The molecular formula for <BB_20> (CC(=O)c1ccc(C#N)cc1) is C9H7NO. | |
Describe the ring structures in building block <BB_20>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_20>. | The molecule contains the following groups: Ketone, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_20>. | **Token:** <BB_20>
**SMILES:** CC(=O)c1ccc(C#N)cc1
**Molecular Formula:** C9H7NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Nitrile | |
Provide the SMILES representation for the building block token <BB_21>. | Brc1ccc(CC2CNCCN2)cc1.Cl.Cl | |
What is the building block token for the following molecule? | Brc1ccc(CC2CNCCN2)cc1.Cl.Cl | <BB_21> |
What is the molecular formula for <BB_21>? | The molecular formula for <BB_21> (Brc1ccc(CC2CNCCN2)cc1.Cl.Cl) is C11H17BrCl2N2. | |
Describe the ring structures in building block <BB_21>. | 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_21>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_21>. | **Token:** <BB_21>
**SMILES:** Brc1ccc(CC2CNCCN2)cc1.Cl.Cl
**Molecular Formula:** C11H17BrCl2N2
**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_22>. | C[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O | |
What is the building block token for the following molecule? | C[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O | <BB_22> |
What is the molecular formula for <BB_22>? | The molecular formula for <BB_22> (C[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O) is C11H9NO4. | |
Describe the ring structures in building block <BB_22>. | 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_22>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_22>. | **Token:** <BB_22>
**SMILES:** C[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O
**Molecular Formula:** C11H9NO4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_23>. | Cc1cc(C)cc(C(C)(C)N)c1.Cl | |
What is the building block token for the following molecule? | Cc1cc(C)cc(C(C)(C)N)c1.Cl | <BB_23> |
What is the molecular formula for <BB_23>? | The molecular formula for <BB_23> (Cc1cc(C)cc(C(C)(C)N)c1.Cl) is C11H18ClN. | |
Describe the ring structures in building block <BB_23>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_23>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_23>. | **Token:** <BB_23>
**SMILES:** Cc1cc(C)cc(C(C)(C)N)c1.Cl
**Molecular Formula:** C11H18ClN
**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_24>. | O=C(NO)c1cccc(C(F)(F)F)c1 | |
What is the building block token for the following molecule? | O=C(NO)c1cccc(C(F)(F)F)c1 | <BB_24> |
What is the molecular formula for <BB_24>? | The molecular formula for <BB_24> (O=C(NO)c1cccc(C(F)(F)F)c1) is C8H6F3NO2. | |
Describe the ring structures in building block <BB_24>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_24>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_24>. | **Token:** <BB_24>
**SMILES:** O=C(NO)c1cccc(C(F)(F)F)c1
**Molecular Formula:** C8H6F3NO2
**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_25>. | CC1(C(=O)O)COC(c2ccccc2)OC1 | |
What is the building block token for the following molecule? | CC1(C(=O)O)COC(c2ccccc2)OC1 | <BB_25> |
What is the molecular formula for <BB_25>? | The molecular formula for <BB_25> (CC1(C(=O)O)COC(c2ccccc2)OC1) is C12H14O4. | |
Describe the ring structures in building block <BB_25>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_25>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_25>. | **Token:** <BB_25>
**SMILES:** CC1(C(=O)O)COC(c2ccccc2)OC1
**Molecular Formula:** C12H14O4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_26>. | Cl.Cl.NCCC[C@@H](N)CC(=O)O | |
What is the building block token for the following molecule? | Cl.Cl.NCCC[C@@H](N)CC(=O)O | <BB_26> |
What is the molecular formula for <BB_26>? | The molecular formula for <BB_26> (Cl.Cl.NCCC[C@@H](N)CC(=O)O) is C6H16Cl2N2O2. | |
Describe the ring structures in building block <BB_26>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_26>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_26>. | **Token:** <BB_26>
**SMILES:** Cl.Cl.NCCC[C@@H](N)CC(=O)O
**Molecular Formula:** C6H16Cl2N2O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_27>. | CCOC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1 | |
What is the building block token for the following molecule? | CCOC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1 | <BB_27> |
What is the molecular formula for <BB_27>? | The molecular formula for <BB_27> (CCOC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1) is C9H9N5O5. | |
Describe the ring structures in building block <BB_27>. | 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_27>. | The molecule contains the following groups: Tertiary Amine, Ester, Ether, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_27>. | **Token:** <BB_27>
**SMILES:** CCOC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1
**Molecular Formula:** C9H9N5O5
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Ester, Ether, Nitro | |
Provide the SMILES representation for the building block token <BB_28>. | Cn1cc(Cl)c(C(=O)NCCN)n1 | |
What is the building block token for the following molecule? | Cn1cc(Cl)c(C(=O)NCCN)n1 | <BB_28> |
What is the molecular formula for <BB_28>? | The molecular formula for <BB_28> (Cn1cc(Cl)c(C(=O)NCCN)n1) is C7H11ClN4O. | |
Describe the ring structures in building block <BB_28>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_28>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_28>. | **Token:** <BB_28>
**SMILES:** Cn1cc(Cl)c(C(=O)NCCN)n1
**Molecular Formula:** C7H11ClN4O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_29>. | Cc1cccc(N(C(=O)CCl)C2C=CS(=O)(=O)C2)c1 | |
What is the building block token for the following molecule? | Cc1cccc(N(C(=O)CCl)C2C=CS(=O)(=O)C2)c1 | <BB_29> |
What is the molecular formula for <BB_29>? | The molecular formula for <BB_29> (Cc1cccc(N(C(=O)CCl)C2C=CS(=O)(=O)C2)c1) is C13H14ClNO3S. | |
Describe the ring structures in building block <BB_29>. | 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_29>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_29>. | **Token:** <BB_29>
**SMILES:** Cc1cccc(N(C(=O)CCl)C2C=CS(=O)(=O)C2)c1
**Molecular Formula:** C13H14ClNO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_30>. | CC1(C)CC2(CCO1)CC2C(=O)O | |
What is the building block token for the following molecule? | CC1(C)CC2(CCO1)CC2C(=O)O | <BB_30> |
What is the molecular formula for <BB_30>? | The molecular formula for <BB_30> (CC1(C)CC2(CCO1)CC2C(=O)O) is C10H16O3. | |
Describe the ring structures in building block <BB_30>. | 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_30>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_30>. | **Token:** <BB_30>
**SMILES:** CC1(C)CC2(CCO1)CC2C(=O)O
**Molecular Formula:** C10H16O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_31>. | CC(C)[Si](C#CC=O)(C(C)C)C(C)C | |
What is the building block token for the following molecule? | CC(C)[Si](C#CC=O)(C(C)C)C(C)C | <BB_31> |
What is the molecular formula for <BB_31>? | The molecular formula for <BB_31> (CC(C)[Si](C#CC=O)(C(C)C)C(C)C) is C12H22OSi. | |
Describe the ring structures in building block <BB_31>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_31>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_31>. | **Token:** <BB_31>
**SMILES:** CC(C)[Si](C#CC=O)(C(C)C)C(C)C
**Molecular Formula:** C12H22OSi
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_32>. | Cc1nn(CCC#N)c(C)c1Br | |
What is the building block token for the following molecule? | Cc1nn(CCC#N)c(C)c1Br | <BB_32> |
What is the molecular formula for <BB_32>? | The molecular formula for <BB_32> (Cc1nn(CCC#N)c(C)c1Br) is C8H10BrN3. | |
Describe the ring structures in building block <BB_32>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_32>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_32>. | **Token:** <BB_32>
**SMILES:** Cc1nn(CCC#N)c(C)c1Br
**Molecular Formula:** C8H10BrN3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_33>. | CC1(C)CC(=O)CCN(C(=O)OC(C)(C)C)C1 | |
What is the building block token for the following molecule? | CC1(C)CC(=O)CCN(C(=O)OC(C)(C)C)C1 | <BB_33> |
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