instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_2750>. | Clc1ccc2scnc2n1 | |
What is the building block token for the following molecule? | Clc1ccc2scnc2n1 | <BB_2750> |
What is the molecular formula for <BB_2750>? | The molecular formula for <BB_2750> (Clc1ccc2scnc2n1) is C6H3ClN2S. | |
Describe the ring structures in building block <BB_2750>. | 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_2750>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2750>. | **Token:** <BB_2750>
**SMILES:** Clc1ccc2scnc2n1
**Molecular Formula:** C6H3ClN2S
**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_2751>. | NS(=O)(=O)C1CCN(CCF)CC1 | |
What is the building block token for the following molecule? | NS(=O)(=O)C1CCN(CCF)CC1 | <BB_2751> |
What is the molecular formula for <BB_2751>? | The molecular formula for <BB_2751> (NS(=O)(=O)C1CCN(CCF)CC1) is C7H15FN2O2S. | |
Describe the ring structures in building block <BB_2751>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2751>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2751>. | **Token:** <BB_2751>
**SMILES:** NS(=O)(=O)C1CCN(CCF)CC1
**Molecular Formula:** C7H15FN2O2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2752>. | O=[N+]([O-])c1cnc2ccccc2c1Cl | |
What is the building block token for the following molecule? | O=[N+]([O-])c1cnc2ccccc2c1Cl | <BB_2752> |
What is the molecular formula for <BB_2752>? | The molecular formula for <BB_2752> (O=[N+]([O-])c1cnc2ccccc2c1Cl) is C9H5ClN2O2. | |
Describe the ring structures in building block <BB_2752>. | 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_2752>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_2752>. | **Token:** <BB_2752>
**SMILES:** O=[N+]([O-])c1cnc2ccccc2c1Cl
**Molecular Formula:** C9H5ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_2753>. | O=C([O-])C1CCC2(COC2)NC1.[Na+] | |
What is the building block token for the following molecule? | O=C([O-])C1CCC2(COC2)NC1.[Na+] | <BB_2753> |
What is the molecular formula for <BB_2753>? | The molecular formula for <BB_2753> (O=C([O-])C1CCC2(COC2)NC1.[Na+]) is C8H12NNaO3. | |
Describe the ring structures in building block <BB_2753>. | 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_2753>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2753>. | **Token:** <BB_2753>
**SMILES:** O=C([O-])C1CCC2(COC2)NC1.[Na+]
**Molecular Formula:** C8H12NNaO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2754>. | Cl.NCC#CC(F)F | |
What is the building block token for the following molecule? | Cl.NCC#CC(F)F | <BB_2754> |
What is the molecular formula for <BB_2754>? | The molecular formula for <BB_2754> (Cl.NCC#CC(F)F) is C4H6ClF2N. | |
Describe the ring structures in building block <BB_2754>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2754>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2754>. | **Token:** <BB_2754>
**SMILES:** Cl.NCC#CC(F)F
**Molecular Formula:** C4H6ClF2N
**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_2755>. | O=[N+]([O-])c1c(Br)nc2ccccn12 | |
What is the building block token for the following molecule? | O=[N+]([O-])c1c(Br)nc2ccccn12 | <BB_2755> |
What is the molecular formula for <BB_2755>? | The molecular formula for <BB_2755> (O=[N+]([O-])c1c(Br)nc2ccccn12) is C7H4BrN3O2. | |
Describe the ring structures in building block <BB_2755>. | 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_2755>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_2755>. | **Token:** <BB_2755>
**SMILES:** O=[N+]([O-])c1c(Br)nc2ccccn12
**Molecular Formula:** C7H4BrN3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_2756>. | Cl.Cn1c(N)nc2c1CCOC2 | |
What is the building block token for the following molecule? | Cl.Cn1c(N)nc2c1CCOC2 | <BB_2756> |
What is the molecular formula for <BB_2756>? | The molecular formula for <BB_2756> (Cl.Cn1c(N)nc2c1CCOC2) is C7H12ClN3O. | |
Describe the ring structures in building block <BB_2756>. | 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_2756>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2756>. | **Token:** <BB_2756>
**SMILES:** Cl.Cn1c(N)nc2c1CCOC2
**Molecular Formula:** C7H12ClN3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2757>. | CC[C@H](NC(=O)OC(C)(C)C)C(=O)O | |
What is the building block token for the following molecule? | CC[C@H](NC(=O)OC(C)(C)C)C(=O)O | <BB_2757> |
What is the molecular formula for <BB_2757>? | The molecular formula for <BB_2757> (CC[C@H](NC(=O)OC(C)(C)C)C(=O)O) is C9H17NO4. | |
Describe the ring structures in building block <BB_2757>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2757>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2757>. | **Token:** <BB_2757>
**SMILES:** CC[C@H](NC(=O)OC(C)(C)C)C(=O)O
**Molecular Formula:** C9H17NO4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2758>. | O=C(O)c1ccc(C2CC2)c(C(F)(F)F)c1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc(C2CC2)c(C(F)(F)F)c1 | <BB_2758> |
What is the molecular formula for <BB_2758>? | The molecular formula for <BB_2758> (O=C(O)c1ccc(C2CC2)c(C(F)(F)F)c1) is C11H9F3O2. | |
Describe the ring structures in building block <BB_2758>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2758>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2758>. | **Token:** <BB_2758>
**SMILES:** O=C(O)c1ccc(C2CC2)c(C(F)(F)F)c1
**Molecular Formula:** C11H9F3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2759>. | [C-]#[N+]CCCN(C)C | |
What is the building block token for the following molecule? | [C-]#[N+]CCCN(C)C | <BB_2759> |
What is the molecular formula for <BB_2759>? | The molecular formula for <BB_2759> ([C-]#[N+]CCCN(C)C) is C6H12N2. | |
Describe the ring structures in building block <BB_2759>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2759>. | The molecule contains the following groups: Tertiary Amine, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2759>. | **Token:** <BB_2759>
**SMILES:** [C-]#[N+]CCCN(C)C
**Molecular Formula:** C6H12N2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Tertiary Amine, Nitrile | |
Provide the SMILES representation for the building block token <BB_2760>. | Nc1cc(O)nn1-c1ccc(C(F)(F)F)cn1 | |
What is the building block token for the following molecule? | Nc1cc(O)nn1-c1ccc(C(F)(F)F)cn1 | <BB_2760> |
What is the molecular formula for <BB_2760>? | The molecular formula for <BB_2760> (Nc1cc(O)nn1-c1ccc(C(F)(F)F)cn1) is C9H7F3N4O. | |
Describe the ring structures in building block <BB_2760>. | 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_2760>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2760>. | **Token:** <BB_2760>
**SMILES:** Nc1cc(O)nn1-c1ccc(C(F)(F)F)cn1
**Molecular Formula:** C9H7F3N4O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2761>. | CC(=O)c1ncnn1-c1ccccc1 | |
What is the building block token for the following molecule? | CC(=O)c1ncnn1-c1ccccc1 | <BB_2761> |
What is the molecular formula for <BB_2761>? | The molecular formula for <BB_2761> (CC(=O)c1ncnn1-c1ccccc1) is C10H9N3O. | |
Describe the ring structures in building block <BB_2761>. | 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_2761>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_2761>. | **Token:** <BB_2761>
**SMILES:** CC(=O)c1ncnn1-c1ccccc1
**Molecular Formula:** C10H9N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_2762>. | O=S(=O)(/C=C/c1ccccc1)NCc1ccccc1 | |
What is the building block token for the following molecule? | O=S(=O)(/C=C/c1ccccc1)NCc1ccccc1 | <BB_2762> |
What is the molecular formula for <BB_2762>? | The molecular formula for <BB_2762> (O=S(=O)(/C=C/c1ccccc1)NCc1ccccc1) is C15H15NO2S. | |
Describe the ring structures in building block <BB_2762>. | 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_2762>. | The molecule contains the following groups: Secondary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2762>. | **Token:** <BB_2762>
**SMILES:** O=S(=O)(/C=C/c1ccccc1)NCc1ccccc1
**Molecular Formula:** C15H15NO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2763>. | OCc1ccsc1Cl | |
What is the building block token for the following molecule? | OCc1ccsc1Cl | <BB_2763> |
What is the molecular formula for <BB_2763>? | The molecular formula for <BB_2763> (OCc1ccsc1Cl) is C5H5ClOS. | |
Describe the ring structures in building block <BB_2763>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2763>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2763>. | **Token:** <BB_2763>
**SMILES:** OCc1ccsc1Cl
**Molecular Formula:** C5H5ClOS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2764>. | O=S(=O)(F)c1cccc(S(=O)(=O)Cl)c1 | |
What is the building block token for the following molecule? | O=S(=O)(F)c1cccc(S(=O)(=O)Cl)c1 | <BB_2764> |
What is the molecular formula for <BB_2764>? | The molecular formula for <BB_2764> (O=S(=O)(F)c1cccc(S(=O)(=O)Cl)c1) is C6H4ClFO4S2. | |
Describe the ring structures in building block <BB_2764>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2764>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2764>. | **Token:** <BB_2764>
**SMILES:** O=S(=O)(F)c1cccc(S(=O)(=O)Cl)c1
**Molecular Formula:** C6H4ClFO4S2
**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_2765>. | C1CCCC2CNCC2CC1.Cl | |
What is the building block token for the following molecule? | C1CCCC2CNCC2CC1.Cl | <BB_2765> |
What is the molecular formula for <BB_2765>? | The molecular formula for <BB_2765> (C1CCCC2CNCC2CC1.Cl) is C10H20ClN. | |
Describe the ring structures in building block <BB_2765>. | The molecule contains 2 ring(s): an aliphatic ring of size 8, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2765>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2765>. | **Token:** <BB_2765>
**SMILES:** C1CCCC2CNCC2CC1.Cl
**Molecular Formula:** C10H20ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 8, 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_2766>. | C#CCn1cc(I)c2c(Cl)nc(Cl)nc21 | |
What is the building block token for the following molecule? | C#CCn1cc(I)c2c(Cl)nc(Cl)nc21 | <BB_2766> |
What is the molecular formula for <BB_2766>? | The molecular formula for <BB_2766> (C#CCn1cc(I)c2c(Cl)nc(Cl)nc21) is C9H4Cl2IN3. | |
Describe the ring structures in building block <BB_2766>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6. |
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