instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_8950>. | O=C(O)c1ccc2ncc(Br)n2c1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc2ncc(Br)n2c1 | <BB_8950> |
What is the molecular formula for <BB_8950>? | The molecular formula for <BB_8950> (O=C(O)c1ccc2ncc(Br)n2c1) is C8H5BrN2O2. | |
Describe the ring structures in building block <BB_8950>. | 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_8950>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8950>. | **Token:** <BB_8950>
**SMILES:** O=C(O)c1ccc2ncc(Br)n2c1
**Molecular Formula:** C8H5BrN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, 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_8951>. | C#Cc1cccnc1F | |
What is the building block token for the following molecule? | C#Cc1cccnc1F | <BB_8951> |
What is the molecular formula for <BB_8951>? | The molecular formula for <BB_8951> (C#Cc1cccnc1F) is C7H4FN. | |
Describe the ring structures in building block <BB_8951>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_8951>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8951>. | **Token:** <BB_8951>
**SMILES:** C#Cc1cccnc1F
**Molecular Formula:** C7H4FN
**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_8952>. | O=S(=O)(Cl)Cc1ccn(CC(F)(F)F)n1 | |
What is the building block token for the following molecule? | O=S(=O)(Cl)Cc1ccn(CC(F)(F)F)n1 | <BB_8952> |
What is the molecular formula for <BB_8952>? | The molecular formula for <BB_8952> (O=S(=O)(Cl)Cc1ccn(CC(F)(F)F)n1) is C6H6ClF3N2O2S. | |
Describe the ring structures in building block <BB_8952>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_8952>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8952>. | **Token:** <BB_8952>
**SMILES:** O=S(=O)(Cl)Cc1ccn(CC(F)(F)F)n1
**Molecular Formula:** C6H6ClF3N2O2S
**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_8953>. | CN(C[C@H]1C[C@@H](O)C1)C(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | CN(C[C@H]1C[C@@H](O)C1)C(=O)OC(C)(C)C | <BB_8953> |
What is the molecular formula for <BB_8953>? | The molecular formula for <BB_8953> (CN(C[C@H]1C[C@@H](O)C1)C(=O)OC(C)(C)C) is C11H21NO3. | |
Describe the ring structures in building block <BB_8953>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_8953>. | The molecule contains the following groups: Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_8953>. | **Token:** <BB_8953>
**SMILES:** CN(C[C@H]1C[C@@H](O)C1)C(=O)OC(C)(C)C
**Molecular Formula:** C11H21NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_8954>. | Cl.Cn1ncc(N)c1C(F)F | |
What is the building block token for the following molecule? | Cl.Cn1ncc(N)c1C(F)F | <BB_8954> |
What is the molecular formula for <BB_8954>? | The molecular formula for <BB_8954> (Cl.Cn1ncc(N)c1C(F)F) is C5H8ClF2N3. | |
Describe the ring structures in building block <BB_8954>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_8954>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8954>. | **Token:** <BB_8954>
**SMILES:** Cl.Cn1ncc(N)c1C(F)F
**Molecular Formula:** C5H8ClF2N3
**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_8955>. | Nc1ccccc1I | |
What is the building block token for the following molecule? | Nc1ccccc1I | <BB_8955> |
What is the molecular formula for <BB_8955>? | The molecular formula for <BB_8955> (Nc1ccccc1I) is C6H6IN. | |
Describe the ring structures in building block <BB_8955>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_8955>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8955>. | **Token:** <BB_8955>
**SMILES:** Nc1ccccc1I
**Molecular Formula:** C6H6IN
**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_8956>. | COC(=O)c1ccc(Br)c2c1OCO2 | |
What is the building block token for the following molecule? | COC(=O)c1ccc(Br)c2c1OCO2 | <BB_8956> |
What is the molecular formula for <BB_8956>? | The molecular formula for <BB_8956> (COC(=O)c1ccc(Br)c2c1OCO2) is C9H7BrO4. | |
Describe the ring structures in building block <BB_8956>. | 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_8956>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8956>. | **Token:** <BB_8956>
**SMILES:** COC(=O)c1ccc(Br)c2c1OCO2
**Molecular Formula:** C9H7BrO4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_8957>. | Cl.O=C(O)[C@H]1CO[C@@H](C(F)(F)F)CN1 | |
What is the building block token for the following molecule? | Cl.O=C(O)[C@H]1CO[C@@H](C(F)(F)F)CN1 | <BB_8957> |
What is the molecular formula for <BB_8957>? | The molecular formula for <BB_8957> (Cl.O=C(O)[C@H]1CO[C@@H](C(F)(F)F)CN1) is C6H9ClF3NO3. | |
Describe the ring structures in building block <BB_8957>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_8957>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8957>. | **Token:** <BB_8957>
**SMILES:** Cl.O=C(O)[C@H]1CO[C@@H](C(F)(F)F)CN1
**Molecular Formula:** C6H9ClF3NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_8958>. | NNC(=O)c1ccc(COc2ccccc2)cc1 | |
What is the building block token for the following molecule? | NNC(=O)c1ccc(COc2ccccc2)cc1 | <BB_8958> |
What is the molecular formula for <BB_8958>? | The molecular formula for <BB_8958> (NNC(=O)c1ccc(COc2ccccc2)cc1) is C14H14N2O2. | |
Describe the ring structures in building block <BB_8958>. | 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_8958>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_8958>. | **Token:** <BB_8958>
**SMILES:** NNC(=O)c1ccc(COc2ccccc2)cc1
**Molecular Formula:** C14H14N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_8959>. | CC1CCc2[nH]c(=O)c(C#N)cc2C1 | |
What is the building block token for the following molecule? | CC1CCc2[nH]c(=O)c(C#N)cc2C1 | <BB_8959> |
What is the molecular formula for <BB_8959>? | The molecular formula for <BB_8959> (CC1CCc2[nH]c(=O)c(C#N)cc2C1) is C11H12N2O. | |
Describe the ring structures in building block <BB_8959>. | 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_8959>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_8959>. | **Token:** <BB_8959>
**SMILES:** CC1CCc2[nH]c(=O)c(C#N)cc2C1
**Molecular Formula:** C11H12N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_8960>. | COc1ccc2sc(C)nc2c1 | |
What is the building block token for the following molecule? | COc1ccc2sc(C)nc2c1 | <BB_8960> |
What is the molecular formula for <BB_8960>? | The molecular formula for <BB_8960> (COc1ccc2sc(C)nc2c1) is C9H9NOS. | |
Describe the ring structures in building block <BB_8960>. | 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_8960>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_8960>. | **Token:** <BB_8960>
**SMILES:** COc1ccc2sc(C)nc2c1
**Molecular Formula:** C9H9NOS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_8961>. | C=CC(=O)c1ccc(F)cc1 | |
What is the building block token for the following molecule? | C=CC(=O)c1ccc(F)cc1 | <BB_8961> |
What is the molecular formula for <BB_8961>? | The molecular formula for <BB_8961> (C=CC(=O)c1ccc(F)cc1) is C9H7FO. | |
Describe the ring structures in building block <BB_8961>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_8961>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8961>. | **Token:** <BB_8961>
**SMILES:** C=CC(=O)c1ccc(F)cc1
**Molecular Formula:** C9H7FO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_8962>. | Nc1ncccc1OCC1CC(F)(F)C1 | |
What is the building block token for the following molecule? | Nc1ncccc1OCC1CC(F)(F)C1 | <BB_8962> |
What is the molecular formula for <BB_8962>? | The molecular formula for <BB_8962> (Nc1ncccc1OCC1CC(F)(F)C1) is C10H12F2N2O. | |
Describe the ring structures in building block <BB_8962>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_8962>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8962>. | **Token:** <BB_8962>
**SMILES:** Nc1ncccc1OCC1CC(F)(F)C1
**Molecular Formula:** C10H12F2N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_8963>. | Fc1c(Br)c(Cl)cc2c(Cl)nc(Cl)nc12 | |
What is the building block token for the following molecule? | Fc1c(Br)c(Cl)cc2c(Cl)nc(Cl)nc12 | <BB_8963> |
What is the molecular formula for <BB_8963>? | The molecular formula for <BB_8963> (Fc1c(Br)c(Cl)cc2c(Cl)nc(Cl)nc12) is C8HBrCl3FN2. | |
Describe the ring structures in building block <BB_8963>. | 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_8963>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8963>. | **Token:** <BB_8963>
**SMILES:** Fc1c(Br)c(Cl)cc2c(Cl)nc(Cl)nc12
**Molecular Formula:** C8HBrCl3FN2
**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_8964>. | COC(=O)c1ccc(O)c(C(C)=O)c1 | |
What is the building block token for the following molecule? | COC(=O)c1ccc(O)c(C(C)=O)c1 | <BB_8964> |
What is the molecular formula for <BB_8964>? | The molecular formula for <BB_8964> (COC(=O)c1ccc(O)c(C(C)=O)c1) is C10H10O4. | |
Describe the ring structures in building block <BB_8964>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_8964>. | The molecule contains the following groups: Ester, Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_8964>. | **Token:** <BB_8964>
**SMILES:** COC(=O)c1ccc(O)c(C(C)=O)c1
**Molecular Formula:** C10H10O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_8965>. | COC(=O)C1CC(C(=O)O)N1.Cl | |
What is the building block token for the following molecule? | COC(=O)C1CC(C(=O)O)N1.Cl | <BB_8965> |
What is the molecular formula for <BB_8965>? | The molecular formula for <BB_8965> (COC(=O)C1CC(C(=O)O)N1.Cl) is C6H10ClNO4. | |
Describe the ring structures in building block <BB_8965>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_8965>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8965>. | **Token:** <BB_8965>
**SMILES:** COC(=O)C1CC(C(=O)O)N1.Cl
**Molecular Formula:** C6H10ClNO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_8966>. | Cn1nc(C=O)c2c1CCC(C)(C)C2 | |
What is the building block token for the following molecule? | Cn1nc(C=O)c2c1CCC(C)(C)C2 | <BB_8966> |
What is the molecular formula for <BB_8966>? | The molecular formula for <BB_8966> (Cn1nc(C=O)c2c1CCC(C)(C)C2) is C11H16N2O. | |
Describe the ring structures in building block <BB_8966>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. |
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