instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_1450>. | Cl.NS(=O)(=O)c1cccc(C2CCNCC2)c1 | |
What is the building block token for the following molecule? | Cl.NS(=O)(=O)c1cccc(C2CCNCC2)c1 | <BB_1450> |
What is the molecular formula for <BB_1450>? | The molecular formula for <BB_1450> (Cl.NS(=O)(=O)c1cccc(C2CCNCC2)c1) is C11H17ClN2O2S. | |
Describe the ring structures in building block <BB_1450>. | 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_1450>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1450>. | **Token:** <BB_1450>
**SMILES:** Cl.NS(=O)(=O)c1cccc(C2CCNCC2)c1
**Molecular Formula:** C11H17ClN2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1451>. | Cn1cc(C(N)=O)cn1 | |
What is the building block token for the following molecule? | Cn1cc(C(N)=O)cn1 | <BB_1451> |
What is the molecular formula for <BB_1451>? | The molecular formula for <BB_1451> (Cn1cc(C(N)=O)cn1) is C5H7N3O. | |
Describe the ring structures in building block <BB_1451>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1451>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1451>. | **Token:** <BB_1451>
**SMILES:** Cn1cc(C(N)=O)cn1
**Molecular Formula:** C5H7N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_1452>. | 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_1452> |
What is the molecular formula for <BB_1452>? | The molecular formula for <BB_1452> (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_1452>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1452>. | The molecule contains the following groups: Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1452>. | **Token:** <BB_1452>
**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_1453>. | Cl.Cl.O=C(O)c1ccn(C2CCNCC2)n1 | |
What is the building block token for the following molecule? | Cl.Cl.O=C(O)c1ccn(C2CCNCC2)n1 | <BB_1453> |
What is the molecular formula for <BB_1453>? | The molecular formula for <BB_1453> (Cl.Cl.O=C(O)c1ccn(C2CCNCC2)n1) is C9H15Cl2N3O2. | |
Describe the ring structures in building block <BB_1453>. | 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_1453>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1453>. | **Token:** <BB_1453>
**SMILES:** Cl.Cl.O=C(O)c1ccn(C2CCNCC2)n1
**Molecular Formula:** C9H15Cl2N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1454>. | CNCc1ccc2c(c1)OCO2 | |
What is the building block token for the following molecule? | CNCc1ccc2c(c1)OCO2 | <BB_1454> |
What is the molecular formula for <BB_1454>? | The molecular formula for <BB_1454> (CNCc1ccc2c(c1)OCO2) is C9H11NO2. | |
Describe the ring structures in building block <BB_1454>. | 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_1454>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1454>. | **Token:** <BB_1454>
**SMILES:** CNCc1ccc2c(c1)OCO2
**Molecular Formula:** C9H11NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1455>. | O=C(CCl)Cc1ccccc1F | |
What is the building block token for the following molecule? | O=C(CCl)Cc1ccccc1F | <BB_1455> |
What is the molecular formula for <BB_1455>? | The molecular formula for <BB_1455> (O=C(CCl)Cc1ccccc1F) is C9H8ClFO. | |
Describe the ring structures in building block <BB_1455>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1455>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1455>. | **Token:** <BB_1455>
**SMILES:** O=C(CCl)Cc1ccccc1F
**Molecular Formula:** C9H8ClFO
**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_1456>. | O=C(O)c1ccc(Cl)cc1Br | |
What is the building block token for the following molecule? | O=C(O)c1ccc(Cl)cc1Br | <BB_1456> |
What is the molecular formula for <BB_1456>? | The molecular formula for <BB_1456> (O=C(O)c1ccc(Cl)cc1Br) is C7H4BrClO2. | |
Describe the ring structures in building block <BB_1456>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1456>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1456>. | **Token:** <BB_1456>
**SMILES:** O=C(O)c1ccc(Cl)cc1Br
**Molecular Formula:** C7H4BrClO2
**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_1457>. | CC(C)(C)COC(=O)Cl | |
What is the building block token for the following molecule? | CC(C)(C)COC(=O)Cl | <BB_1457> |
What is the molecular formula for <BB_1457>? | The molecular formula for <BB_1457> (CC(C)(C)COC(=O)Cl) is C6H11ClO2. | |
Describe the ring structures in building block <BB_1457>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1457>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1457>. | **Token:** <BB_1457>
**SMILES:** CC(C)(C)COC(=O)Cl
**Molecular Formula:** C6H11ClO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1458>. | Cl.NCc1cc(C(F)(F)F)c(=O)[nH]n1 | |
What is the building block token for the following molecule? | Cl.NCc1cc(C(F)(F)F)c(=O)[nH]n1 | <BB_1458> |
What is the molecular formula for <BB_1458>? | The molecular formula for <BB_1458> (Cl.NCc1cc(C(F)(F)F)c(=O)[nH]n1) is C6H7ClF3N3O. | |
Describe the ring structures in building block <BB_1458>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1458>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1458>. | **Token:** <BB_1458>
**SMILES:** Cl.NCc1cc(C(F)(F)F)c(=O)[nH]n1
**Molecular Formula:** C6H7ClF3N3O
**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_1459>. | O=C(C(F)F)C(Cl)C(=O)C1CC1 | |
What is the building block token for the following molecule? | O=C(C(F)F)C(Cl)C(=O)C1CC1 | <BB_1459> |
What is the molecular formula for <BB_1459>? | The molecular formula for <BB_1459> (O=C(C(F)F)C(Cl)C(=O)C1CC1) is C7H7ClF2O2. | |
Describe the ring structures in building block <BB_1459>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1459>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1459>. | **Token:** <BB_1459>
**SMILES:** O=C(C(F)F)C(Cl)C(=O)C1CC1
**Molecular Formula:** C7H7ClF2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1460>. | CCOC(=O)c1c(Br)cccc1CBr | |
What is the building block token for the following molecule? | CCOC(=O)c1c(Br)cccc1CBr | <BB_1460> |
What is the molecular formula for <BB_1460>? | The molecular formula for <BB_1460> (CCOC(=O)c1c(Br)cccc1CBr) is C10H10Br2O2. | |
Describe the ring structures in building block <BB_1460>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1460>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1460>. | **Token:** <BB_1460>
**SMILES:** CCOC(=O)c1c(Br)cccc1CBr
**Molecular Formula:** C10H10Br2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1461>. | CCC1(CC)C(O)CC1OC | |
What is the building block token for the following molecule? | CCC1(CC)C(O)CC1OC | <BB_1461> |
What is the molecular formula for <BB_1461>? | The molecular formula for <BB_1461> (CCC1(CC)C(O)CC1OC) is C9H18O2. | |
Describe the ring structures in building block <BB_1461>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1461>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1461>. | **Token:** <BB_1461>
**SMILES:** CCC1(CC)C(O)CC1OC
**Molecular Formula:** C9H18O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_1462>. | C[Si](C)(C)C#Cc1cc(Cl)nnc1Cl | |
What is the building block token for the following molecule? | C[Si](C)(C)C#Cc1cc(Cl)nnc1Cl | <BB_1462> |
What is the molecular formula for <BB_1462>? | The molecular formula for <BB_1462> (C[Si](C)(C)C#Cc1cc(Cl)nnc1Cl) is C9H10Cl2N2Si. | |
Describe the ring structures in building block <BB_1462>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1462>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1462>. | **Token:** <BB_1462>
**SMILES:** C[Si](C)(C)C#Cc1cc(Cl)nnc1Cl
**Molecular Formula:** C9H10Cl2N2Si
**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_1463>. | O=C1CC(CCl)(CCl)C12CCC2 | |
What is the building block token for the following molecule? | O=C1CC(CCl)(CCl)C12CCC2 | <BB_1463> |
What is the molecular formula for <BB_1463>? | The molecular formula for <BB_1463> (O=C1CC(CCl)(CCl)C12CCC2) is C9H12Cl2O. | |
Describe the ring structures in building block <BB_1463>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1463>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1463>. | **Token:** <BB_1463>
**SMILES:** O=C1CC(CCl)(CCl)C12CCC2
**Molecular Formula:** C9H12Cl2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1464>. | O=C(c1ccccc1Cl)C(F)F | |
What is the building block token for the following molecule? | O=C(c1ccccc1Cl)C(F)F | <BB_1464> |
What is the molecular formula for <BB_1464>? | The molecular formula for <BB_1464> (O=C(c1ccccc1Cl)C(F)F) is C8H5ClF2O. | |
Describe the ring structures in building block <BB_1464>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1464>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1464>. | **Token:** <BB_1464>
**SMILES:** O=C(c1ccccc1Cl)C(F)F
**Molecular Formula:** C8H5ClF2O
**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_1465>. | O=C[C@@H]1C[C@H]1c1ccccc1 | |
What is the building block token for the following molecule? | O=C[C@@H]1C[C@H]1c1ccccc1 | <BB_1465> |
What is the molecular formula for <BB_1465>? | The molecular formula for <BB_1465> (O=C[C@@H]1C[C@H]1c1ccccc1) is C10H10O. | |
Describe the ring structures in building block <BB_1465>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1465>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_1465>. | **Token:** <BB_1465>
**SMILES:** O=C[C@@H]1C[C@H]1c1ccccc1
**Molecular Formula:** C10H10O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_1466>. | CC1(C)OB(C=C2CCSC2)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(C=C2CCSC2)OC1(C)C | <BB_1466> |
What is the molecular formula for <BB_1466>? | The molecular formula for <BB_1466> (CC1(C)OB(C=C2CCSC2)OC1(C)C) is C11H19BO2S. | |
Describe the ring structures in building block <BB_1466>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5. |
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