instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_2850>. | FC(F)(F)c1cccc(Cl)c1I | |
What is the building block token for the following molecule? | FC(F)(F)c1cccc(Cl)c1I | <BB_2850> |
What is the molecular formula for <BB_2850>? | The molecular formula for <BB_2850> (FC(F)(F)c1cccc(Cl)c1I) is C7H3ClF3I. | |
Describe the ring structures in building block <BB_2850>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2850>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2850>. | **Token:** <BB_2850>
**SMILES:** FC(F)(F)c1cccc(Cl)c1I
**Molecular Formula:** C7H3ClF3I
**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_2851>. | C=C1CC(F)(COS(C)(=O)=O)C1 | |
What is the building block token for the following molecule? | C=C1CC(F)(COS(C)(=O)=O)C1 | <BB_2851> |
What is the molecular formula for <BB_2851>? | The molecular formula for <BB_2851> (C=C1CC(F)(COS(C)(=O)=O)C1) is C7H11FO3S. | |
Describe the ring structures in building block <BB_2851>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2851>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2851>. | **Token:** <BB_2851>
**SMILES:** C=C1CC(F)(COS(C)(=O)=O)C1
**Molecular Formula:** C7H11FO3S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2852>. | OC1COC2CC1C2 | |
What is the building block token for the following molecule? | OC1COC2CC1C2 | <BB_2852> |
What is the molecular formula for <BB_2852>? | The molecular formula for <BB_2852> (OC1COC2CC1C2) is C6H10O2. | |
Describe the ring structures in building block <BB_2852>. | The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2852>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2852>. | **Token:** <BB_2852>
**SMILES:** OC1COC2CC1C2
**Molecular Formula:** C6H10O2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2853>. | CC(C)(C)OC(=O)NC1(C(=O)O)CCOC(C)(C)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC1(C(=O)O)CCOC(C)(C)C1 | <BB_2853> |
What is the molecular formula for <BB_2853>? | The molecular formula for <BB_2853> (CC(C)(C)OC(=O)NC1(C(=O)O)CCOC(C)(C)C1) is C13H23NO5. | |
Describe the ring structures in building block <BB_2853>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2853>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2853>. | **Token:** <BB_2853>
**SMILES:** CC(C)(C)OC(=O)NC1(C(=O)O)CCOC(C)(C)C1
**Molecular Formula:** C13H23NO5
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2854>. | CC1CCC(C(=O)O)CC1N | |
What is the building block token for the following molecule? | CC1CCC(C(=O)O)CC1N | <BB_2854> |
What is the molecular formula for <BB_2854>? | The molecular formula for <BB_2854> (CC1CCC(C(=O)O)CC1N) is C8H15NO2. | |
Describe the ring structures in building block <BB_2854>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2854>. | The molecule contains the following groups: Carboxylic Acid, Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2854>. | **Token:** <BB_2854>
**SMILES:** CC1CCC(C(=O)O)CC1N
**Molecular Formula:** C8H15NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine | |
Provide the SMILES representation for the building block token <BB_2855>. | Fc1cccc2ccncc12 | |
What is the building block token for the following molecule? | Fc1cccc2ccncc12 | <BB_2855> |
What is the molecular formula for <BB_2855>? | The molecular formula for <BB_2855> (Fc1cccc2ccncc12) is C9H6FN. | |
Describe the ring structures in building block <BB_2855>. | 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_2855>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2855>. | **Token:** <BB_2855>
**SMILES:** Fc1cccc2ccncc12
**Molecular Formula:** C9H6FN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2856>. | Cc1ccc(CCCBr)cc1 | |
What is the building block token for the following molecule? | Cc1ccc(CCCBr)cc1 | <BB_2856> |
What is the molecular formula for <BB_2856>? | The molecular formula for <BB_2856> (Cc1ccc(CCCBr)cc1) is C10H13Br. | |
Describe the ring structures in building block <BB_2856>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2856>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2856>. | **Token:** <BB_2856>
**SMILES:** Cc1ccc(CCCBr)cc1
**Molecular Formula:** C10H13Br
**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_2857>. | CC(C)(C)OC(=O)NC(C)(C)C(F)F | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC(C)(C)C(F)F | <BB_2857> |
What is the molecular formula for <BB_2857>? | The molecular formula for <BB_2857> (CC(C)(C)OC(=O)NC(C)(C)C(F)F) is C9H17F2NO2. | |
Describe the ring structures in building block <BB_2857>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2857>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2857>. | **Token:** <BB_2857>
**SMILES:** CC(C)(C)OC(=O)NC(C)(C)C(F)F
**Molecular Formula:** C9H17F2NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2858>. | Cc1ccnc(C(=O)O)n1.Cl | |
What is the building block token for the following molecule? | Cc1ccnc(C(=O)O)n1.Cl | <BB_2858> |
What is the molecular formula for <BB_2858>? | The molecular formula for <BB_2858> (Cc1ccnc(C(=O)O)n1.Cl) is C6H7ClN2O2. | |
Describe the ring structures in building block <BB_2858>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2858>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2858>. | **Token:** <BB_2858>
**SMILES:** Cc1ccnc(C(=O)O)n1.Cl
**Molecular Formula:** C6H7ClN2O2
**Ring System:** The molecule contains 1 ring(s): 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_2859>. | Cl.N[C@@H](CC(=O)O)C1CCCCC1 | |
What is the building block token for the following molecule? | Cl.N[C@@H](CC(=O)O)C1CCCCC1 | <BB_2859> |
What is the molecular formula for <BB_2859>? | The molecular formula for <BB_2859> (Cl.N[C@@H](CC(=O)O)C1CCCCC1) is C9H18ClNO2. | |
Describe the ring structures in building block <BB_2859>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2859>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2859>. | **Token:** <BB_2859>
**SMILES:** Cl.N[C@@H](CC(=O)O)C1CCCCC1
**Molecular Formula:** C9H18ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2860>. | NNc1cccnc1C(F)(F)F | |
What is the building block token for the following molecule? | NNc1cccnc1C(F)(F)F | <BB_2860> |
What is the molecular formula for <BB_2860>? | The molecular formula for <BB_2860> (NNc1cccnc1C(F)(F)F) is C6H6F3N3. | |
Describe the ring structures in building block <BB_2860>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2860>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2860>. | **Token:** <BB_2860>
**SMILES:** NNc1cccnc1C(F)(F)F
**Molecular Formula:** C6H6F3N3
**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_2861>. | OCc1cc(Cl)ncc1Br | |
What is the building block token for the following molecule? | OCc1cc(Cl)ncc1Br | <BB_2861> |
What is the molecular formula for <BB_2861>? | The molecular formula for <BB_2861> (OCc1cc(Cl)ncc1Br) is C6H5BrClNO. | |
Describe the ring structures in building block <BB_2861>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2861>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2861>. | **Token:** <BB_2861>
**SMILES:** OCc1cc(Cl)ncc1Br
**Molecular Formula:** C6H5BrClNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2862>. | Cl.Fc1ccc(F)c(OC2CCNCC2)c1 | |
What is the building block token for the following molecule? | Cl.Fc1ccc(F)c(OC2CCNCC2)c1 | <BB_2862> |
What is the molecular formula for <BB_2862>? | The molecular formula for <BB_2862> (Cl.Fc1ccc(F)c(OC2CCNCC2)c1) is C11H14ClF2NO. | |
Describe the ring structures in building block <BB_2862>. | 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_2862>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2862>. | **Token:** <BB_2862>
**SMILES:** Cl.Fc1ccc(F)c(OC2CCNCC2)c1
**Molecular Formula:** C11H14ClF2NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2863>. | CC(C)OCC(=O)CCl | |
What is the building block token for the following molecule? | CC(C)OCC(=O)CCl | <BB_2863> |
What is the molecular formula for <BB_2863>? | The molecular formula for <BB_2863> (CC(C)OCC(=O)CCl) is C6H11ClO2. | |
Describe the ring structures in building block <BB_2863>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2863>. | The molecule contains the following groups: Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2863>. | **Token:** <BB_2863>
**SMILES:** CC(C)OCC(=O)CCl
**Molecular Formula:** C6H11ClO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2864>. | COc1ccccc1Nc1ccc([N+](=O)[O-])cc1N | |
What is the building block token for the following molecule? | COc1ccccc1Nc1ccc([N+](=O)[O-])cc1N | <BB_2864> |
What is the molecular formula for <BB_2864>? | The molecular formula for <BB_2864> (COc1ccccc1Nc1ccc([N+](=O)[O-])cc1N) is C13H13N3O3. | |
Describe the ring structures in building block <BB_2864>. | 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_2864>. | The molecule contains the following groups: Amine, Secondary Amine, Tertiary Amine, Ether, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_2864>. | **Token:** <BB_2864>
**SMILES:** COc1ccccc1Nc1ccc([N+](=O)[O-])cc1N
**Molecular Formula:** C13H13N3O3
**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, Tertiary Amine, Ether, Nitro | |
Provide the SMILES representation for the building block token <BB_2865>. | CC(C)C(Oc1ccccc1Br)C(=O)O | |
What is the building block token for the following molecule? | CC(C)C(Oc1ccccc1Br)C(=O)O | <BB_2865> |
What is the molecular formula for <BB_2865>? | The molecular formula for <BB_2865> (CC(C)C(Oc1ccccc1Br)C(=O)O) is C11H13BrO3. | |
Describe the ring structures in building block <BB_2865>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2865>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2865>. | **Token:** <BB_2865>
**SMILES:** CC(C)C(Oc1ccccc1Br)C(=O)O
**Molecular Formula:** C11H13BrO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2866>. | Nc1cc(CC2CCCCC2)n[nH]1 | |
What is the building block token for the following molecule? | Nc1cc(CC2CCCCC2)n[nH]1 | <BB_2866> |
What is the molecular formula for <BB_2866>? | The molecular formula for <BB_2866> (Nc1cc(CC2CCCCC2)n[nH]1) is C10H17N3. | |
Describe the ring structures in building block <BB_2866>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. |
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