instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_2566>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2566>. | **Token:** <BB_2566>
**SMILES:** Cl.Cl.O=C1CCCN1CC1CCCCN1
**Molecular Formula:** C10H20Cl2N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2567>. | Cc1cnc(NN)cn1.Cl.Cl | |
What is the building block token for the following molecule? | Cc1cnc(NN)cn1.Cl.Cl | <BB_2567> |
What is the molecular formula for <BB_2567>? | The molecular formula for <BB_2567> (Cc1cnc(NN)cn1.Cl.Cl) is C5H10Cl2N4. | |
Describe the ring structures in building block <BB_2567>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2567>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2567>. | **Token:** <BB_2567>
**SMILES:** Cc1cnc(NN)cn1.Cl.Cl
**Molecular Formula:** C5H10Cl2N4
**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_2568>. | CNC1CCc2c(Cl)cccc21 | |
What is the building block token for the following molecule? | CNC1CCc2c(Cl)cccc21 | <BB_2568> |
What is the molecular formula for <BB_2568>? | The molecular formula for <BB_2568> (CNC1CCc2c(Cl)cccc21) is C10H12ClN. | |
Describe the ring structures in building block <BB_2568>. | 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_2568>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2568>. | **Token:** <BB_2568>
**SMILES:** CNC1CCc2c(Cl)cccc21
**Molecular Formula:** C10H12ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2569>. | COC(=O)C1CC([B-](F)(F)F)C1.[K+] | |
What is the building block token for the following molecule? | COC(=O)C1CC([B-](F)(F)F)C1.[K+] | <BB_2569> |
What is the molecular formula for <BB_2569>? | The molecular formula for <BB_2569> (COC(=O)C1CC([B-](F)(F)F)C1.[K+]) is C6H9BF3KO2. | |
Describe the ring structures in building block <BB_2569>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2569>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2569>. | **Token:** <BB_2569>
**SMILES:** COC(=O)C1CC([B-](F)(F)F)C1.[K+]
**Molecular Formula:** C6H9BF3KO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2570>. | CN(C)C(=O)COc1cccc(N)c1 | |
What is the building block token for the following molecule? | CN(C)C(=O)COc1cccc(N)c1 | <BB_2570> |
What is the molecular formula for <BB_2570>? | The molecular formula for <BB_2570> (CN(C)C(=O)COc1cccc(N)c1) is C10H14N2O2. | |
Describe the ring structures in building block <BB_2570>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2570>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2570>. | **Token:** <BB_2570>
**SMILES:** CN(C)C(=O)COc1cccc(N)c1
**Molecular Formula:** C10H14N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2571>. | COc1ccc(NCc2ccccc2)cc1OC | |
What is the building block token for the following molecule? | COc1ccc(NCc2ccccc2)cc1OC | <BB_2571> |
What is the molecular formula for <BB_2571>? | The molecular formula for <BB_2571> (COc1ccc(NCc2ccccc2)cc1OC) is C15H17NO2. | |
Describe the ring structures in building block <BB_2571>. | 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_2571>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2571>. | **Token:** <BB_2571>
**SMILES:** COc1ccc(NCc2ccccc2)cc1OC
**Molecular Formula:** C15H17NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2572>. | Cn1ccnc1C(=O)C(F)F | |
What is the building block token for the following molecule? | Cn1ccnc1C(=O)C(F)F | <BB_2572> |
What is the molecular formula for <BB_2572>? | The molecular formula for <BB_2572> (Cn1ccnc1C(=O)C(F)F) is C6H6F2N2O. | |
Describe the ring structures in building block <BB_2572>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2572>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2572>. | **Token:** <BB_2572>
**SMILES:** Cn1ccnc1C(=O)C(F)F
**Molecular Formula:** C6H6F2N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2573>. | C=CCNCCCCl.Cl | |
What is the building block token for the following molecule? | C=CCNCCCCl.Cl | <BB_2573> |
What is the molecular formula for <BB_2573>? | The molecular formula for <BB_2573> (C=CCNCCCCl.Cl) is C6H13Cl2N. | |
Describe the ring structures in building block <BB_2573>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2573>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2573>. | **Token:** <BB_2573>
**SMILES:** C=CCNCCCCl.Cl
**Molecular Formula:** C6H13Cl2N
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2574>. | ClCc1nnnn1C1CC1 | |
What is the building block token for the following molecule? | ClCc1nnnn1C1CC1 | <BB_2574> |
What is the molecular formula for <BB_2574>? | The molecular formula for <BB_2574> (ClCc1nnnn1C1CC1) is C5H7ClN4. | |
Describe the ring structures in building block <BB_2574>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2574>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2574>. | **Token:** <BB_2574>
**SMILES:** ClCc1nnnn1C1CC1
**Molecular Formula:** C5H7ClN4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2575>. | CC(C)[C@@H](N=[N+]=[N-])C(=O)O | |
What is the building block token for the following molecule? | CC(C)[C@@H](N=[N+]=[N-])C(=O)O | <BB_2575> |
What is the molecular formula for <BB_2575>? | The molecular formula for <BB_2575> (CC(C)[C@@H](N=[N+]=[N-])C(=O)O) is C5H9N3O2. | |
Describe the ring structures in building block <BB_2575>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2575>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2575>. | **Token:** <BB_2575>
**SMILES:** CC(C)[C@@H](N=[N+]=[N-])C(=O)O
**Molecular Formula:** C5H9N3O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2576>. | CC(C)(C)c1nsc(Oc2ccc(N)cc2Cl)n1 | |
What is the building block token for the following molecule? | CC(C)(C)c1nsc(Oc2ccc(N)cc2Cl)n1 | <BB_2576> |
What is the molecular formula for <BB_2576>? | The molecular formula for <BB_2576> (CC(C)(C)c1nsc(Oc2ccc(N)cc2Cl)n1) is C12H14ClN3OS. | |
Describe the ring structures in building block <BB_2576>. | 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_2576>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2576>. | **Token:** <BB_2576>
**SMILES:** CC(C)(C)c1nsc(Oc2ccc(N)cc2Cl)n1
**Molecular Formula:** C12H14ClN3OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2577>. | COC(=O)C12CC3CC1(CO)CC3C2 | |
What is the building block token for the following molecule? | COC(=O)C12CC3CC1(CO)CC3C2 | <BB_2577> |
What is the molecular formula for <BB_2577>? | The molecular formula for <BB_2577> (COC(=O)C12CC3CC1(CO)CC3C2) is C11H16O3. | |
Describe the ring structures in building block <BB_2577>. | The molecule contains 4 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2577>. | The molecule contains the following groups: Ester, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2577>. | **Token:** <BB_2577>
**SMILES:** COC(=O)C12CC3CC1(CO)CC3C2
**Molecular Formula:** C11H16O3
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Ester, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2578>. | NCc1nnn[nH]1 | |
What is the building block token for the following molecule? | NCc1nnn[nH]1 | <BB_2578> |
What is the molecular formula for <BB_2578>? | The molecular formula for <BB_2578> (NCc1nnn[nH]1) is C2H5N5. | |
Describe the ring structures in building block <BB_2578>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2578>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2578>. | **Token:** <BB_2578>
**SMILES:** NCc1nnn[nH]1
**Molecular Formula:** C2H5N5
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_2579>. | O=C(O)CSc1nnc(NC2CCCCC2)s1 | |
What is the building block token for the following molecule? | O=C(O)CSc1nnc(NC2CCCCC2)s1 | <BB_2579> |
What is the molecular formula for <BB_2579>? | The molecular formula for <BB_2579> (O=C(O)CSc1nnc(NC2CCCCC2)s1) is C10H15N3O2S2. | |
Describe the ring structures in building block <BB_2579>. | 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_2579>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_2579>. | **Token:** <BB_2579>
**SMILES:** O=C(O)CSc1nnc(NC2CCCCC2)s1
**Molecular Formula:** C10H15N3O2S2
**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, Sulfide | |
Provide the SMILES representation for the building block token <BB_2580>. | CN(Cc1cccc(N)c1)C(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | CN(Cc1cccc(N)c1)C(=O)OC(C)(C)C | <BB_2580> |
What is the molecular formula for <BB_2580>? | The molecular formula for <BB_2580> (CN(Cc1cccc(N)c1)C(=O)OC(C)(C)C) is C13H20N2O2. | |
Describe the ring structures in building block <BB_2580>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2580>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2580>. | **Token:** <BB_2580>
**SMILES:** CN(Cc1cccc(N)c1)C(=O)OC(C)(C)C
**Molecular Formula:** C13H20N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2581>. | Cl.Cl.NCCN1CCS(=O)CC1 | |
What is the building block token for the following molecule? | Cl.Cl.NCCN1CCS(=O)CC1 | <BB_2581> |
What is the molecular formula for <BB_2581>? | The molecular formula for <BB_2581> (Cl.Cl.NCCN1CCS(=O)CC1) is C6H16Cl2N2OS. | |
Describe the ring structures in building block <BB_2581>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2581>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2581>. | **Token:** <BB_2581>
**SMILES:** Cl.Cl.NCCN1CCS(=O)CC1
**Molecular Formula:** C6H16Cl2N2OS
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2582>. | C#CCOC(C)C(OC)OC | |
What is the building block token for the following molecule? | C#CCOC(C)C(OC)OC | <BB_2582> |
What is the molecular formula for <BB_2582>? | The molecular formula for <BB_2582> (C#CCOC(C)C(OC)OC) is C8H14O3. | |
Describe the ring structures in building block <BB_2582>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2582>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2582>. | **Token:** <BB_2582>
**SMILES:** C#CCOC(C)C(OC)OC
**Molecular Formula:** C8H14O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_2583>. | N#CCOc1ccc(F)c(Cl)c1 | |
What is the building block token for the following molecule? | N#CCOc1ccc(F)c(Cl)c1 | <BB_2583> |
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