instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_2616>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2616>. | **Token:** <BB_2616>
**SMILES:** CN1CCC2(CCN(C(N)=O)CC2)C1=O
**Molecular Formula:** C10H17N3O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_2617>. | C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O | |
What is the building block token for the following molecule? | C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O | <BB_2617> |
What is the molecular formula for <BB_2617>? | The molecular formula for <BB_2617> (C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O) is C10H18N2O3. | |
Describe the ring structures in building block <BB_2617>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2617>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2617>. | **Token:** <BB_2617>
**SMILES:** C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O
**Molecular Formula:** C10H18N2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_2618>. | CC(C)c1nccc(C2CCNCC2)n1.Cl.Cl | |
What is the building block token for the following molecule? | CC(C)c1nccc(C2CCNCC2)n1.Cl.Cl | <BB_2618> |
What is the molecular formula for <BB_2618>? | The molecular formula for <BB_2618> (CC(C)c1nccc(C2CCNCC2)n1.Cl.Cl) is C12H21Cl2N3. | |
Describe the ring structures in building block <BB_2618>. | 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_2618>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2618>. | **Token:** <BB_2618>
**SMILES:** CC(C)c1nccc(C2CCNCC2)n1.Cl.Cl
**Molecular Formula:** C12H21Cl2N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2619>. | NC(CCl)=NO | |
What is the building block token for the following molecule? | NC(CCl)=NO | <BB_2619> |
What is the molecular formula for <BB_2619>? | The molecular formula for <BB_2619> (NC(CCl)=NO) is C2H5ClN2O. | |
Describe the ring structures in building block <BB_2619>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2619>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2619>. | **Token:** <BB_2619>
**SMILES:** NC(CCl)=NO
**Molecular Formula:** C2H5ClN2O
**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_2620>. | Cl.Cl.NNCCc1csc(Cl)n1 | |
What is the building block token for the following molecule? | Cl.Cl.NNCCc1csc(Cl)n1 | <BB_2620> |
What is the molecular formula for <BB_2620>? | The molecular formula for <BB_2620> (Cl.Cl.NNCCc1csc(Cl)n1) is C5H10Cl3N3S. | |
Describe the ring structures in building block <BB_2620>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2620>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2620>. | **Token:** <BB_2620>
**SMILES:** Cl.Cl.NNCCc1csc(Cl)n1
**Molecular Formula:** C5H10Cl3N3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2621>. | Cc1cc2cccnc2n1CCN.Cl | |
What is the building block token for the following molecule? | Cc1cc2cccnc2n1CCN.Cl | <BB_2621> |
What is the molecular formula for <BB_2621>? | The molecular formula for <BB_2621> (Cc1cc2cccnc2n1CCN.Cl) is C10H14ClN3. | |
Describe the ring structures in building block <BB_2621>. | 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_2621>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2621>. | **Token:** <BB_2621>
**SMILES:** Cc1cc2cccnc2n1CCN.Cl
**Molecular Formula:** C10H14ClN3
**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_2622>. | CC1(C)OB(C23CC(CN=[N+]=[N-])(C2)C3)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(C23CC(CN=[N+]=[N-])(C2)C3)OC1(C)C | <BB_2622> |
What is the molecular formula for <BB_2622>? | The molecular formula for <BB_2622> (CC1(C)OB(C23CC(CN=[N+]=[N-])(C2)C3)OC1(C)C) is C12H20BN3O2. | |
Describe the ring structures in building block <BB_2622>. | The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2622>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2622>. | **Token:** <BB_2622>
**SMILES:** CC1(C)OB(C23CC(CN=[N+]=[N-])(C2)C3)OC1(C)C
**Molecular Formula:** C12H20BN3O2
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2623>. | CS(=O)(=O)N1CCCc2cc(C(=O)CCl)ccc21 | |
What is the building block token for the following molecule? | CS(=O)(=O)N1CCCc2cc(C(=O)CCl)ccc21 | <BB_2623> |
What is the molecular formula for <BB_2623>? | The molecular formula for <BB_2623> (CS(=O)(=O)N1CCCc2cc(C(=O)CCl)ccc21) is C12H14ClNO3S. | |
Describe the ring structures in building block <BB_2623>. | 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_2623>. | The molecule contains the following groups: Tertiary Amine, Ketone, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2623>. | **Token:** <BB_2623>
**SMILES:** CS(=O)(=O)N1CCCc2cc(C(=O)CCl)ccc21
**Molecular Formula:** C12H14ClNO3S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ketone, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2624>. | CC(C)(C)OC(=O)Nc1ccc(CCCN)cc1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)Nc1ccc(CCCN)cc1 | <BB_2624> |
What is the molecular formula for <BB_2624>? | The molecular formula for <BB_2624> (CC(C)(C)OC(=O)Nc1ccc(CCCN)cc1) is C14H22N2O2. | |
Describe the ring structures in building block <BB_2624>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2624>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2624>. | **Token:** <BB_2624>
**SMILES:** CC(C)(C)OC(=O)Nc1ccc(CCCN)cc1
**Molecular Formula:** C14H22N2O2
**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_2625>. | CC(C)(C)OC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 | <BB_2625> |
What is the molecular formula for <BB_2625>? | The molecular formula for <BB_2625> (CC(C)(C)OC(=O)Nc1ccc(N)c([N+](=O)[O-])c1) is C11H15N3O4. | |
Describe the ring structures in building block <BB_2625>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2625>. | The molecule contains the following groups: Amine, Tertiary Amine, Amide, Ether, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_2625>. | **Token:** <BB_2625>
**SMILES:** CC(C)(C)OC(=O)Nc1ccc(N)c([N+](=O)[O-])c1
**Molecular Formula:** C11H15N3O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Amide, Ether, Nitro | |
Provide the SMILES representation for the building block token <BB_2626>. | N#CCC1CCCCO1 | |
What is the building block token for the following molecule? | N#CCC1CCCCO1 | <BB_2626> |
What is the molecular formula for <BB_2626>? | The molecular formula for <BB_2626> (N#CCC1CCCCO1) is C7H11NO. | |
Describe the ring structures in building block <BB_2626>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2626>. | The molecule contains the following groups: Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2626>. | **Token:** <BB_2626>
**SMILES:** N#CCC1CCCCO1
**Molecular Formula:** C7H11NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_2627>. | N=S(=O)(c1ccc(C(=O)O)cc1)C(F)F | |
What is the building block token for the following molecule? | N=S(=O)(c1ccc(C(=O)O)cc1)C(F)F | <BB_2627> |
What is the molecular formula for <BB_2627>? | The molecular formula for <BB_2627> (N=S(=O)(c1ccc(C(=O)O)cc1)C(F)F) is C8H7F2NO3S. | |
Describe the ring structures in building block <BB_2627>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2627>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2627>. | **Token:** <BB_2627>
**SMILES:** N=S(=O)(c1ccc(C(=O)O)cc1)C(F)F
**Molecular Formula:** C8H7F2NO3S
**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_2628>. | C[Si](Cl)(Cl)c1ccc(F)cc1 | |
What is the building block token for the following molecule? | C[Si](Cl)(Cl)c1ccc(F)cc1 | <BB_2628> |
What is the molecular formula for <BB_2628>? | The molecular formula for <BB_2628> (C[Si](Cl)(Cl)c1ccc(F)cc1) is C7H7Cl2FSi. | |
Describe the ring structures in building block <BB_2628>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2628>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2628>. | **Token:** <BB_2628>
**SMILES:** C[Si](Cl)(Cl)c1ccc(F)cc1
**Molecular Formula:** C7H7Cl2FSi
**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_2629>. | O=C(O)C(F)(F)F.c1cc(CNC2COC2)ccn1 | |
What is the building block token for the following molecule? | O=C(O)C(F)(F)F.c1cc(CNC2COC2)ccn1 | <BB_2629> |
What is the molecular formula for <BB_2629>? | The molecular formula for <BB_2629> (O=C(O)C(F)(F)F.c1cc(CNC2COC2)ccn1) is C11H13F3N2O3. | |
Describe the ring structures in building block <BB_2629>. | 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_2629>. | 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_2629>. | **Token:** <BB_2629>
**SMILES:** O=C(O)C(F)(F)F.c1cc(CNC2COC2)ccn1
**Molecular Formula:** C11H13F3N2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2630>. | C(=C/C1CCCN1)\c1ccccc1 | |
What is the building block token for the following molecule? | C(=C/C1CCCN1)\c1ccccc1 | <BB_2630> |
What is the molecular formula for <BB_2630>? | The molecular formula for <BB_2630> (C(=C/C1CCCN1)\c1ccccc1) is C12H15N. | |
Describe the ring structures in building block <BB_2630>. | 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_2630>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2630>. | **Token:** <BB_2630>
**SMILES:** C(=C/C1CCCN1)\c1ccccc1
**Molecular Formula:** C12H15N
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_2631>. | CSc1nc(C#N)ncc1Cl | |
What is the building block token for the following molecule? | CSc1nc(C#N)ncc1Cl | <BB_2631> |
What is the molecular formula for <BB_2631>? | The molecular formula for <BB_2631> (CSc1nc(C#N)ncc1Cl) is C6H4ClN3S. | |
Describe the ring structures in building block <BB_2631>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2631>. | The molecule contains the following groups: Sulfide, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2631>. | **Token:** <BB_2631>
**SMILES:** CSc1nc(C#N)ncc1Cl
**Molecular Formula:** C6H4ClN3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Sulfide, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_2632>. | CCOC(=O)c1nc(=O)ss1 | |
What is the building block token for the following molecule? | CCOC(=O)c1nc(=O)ss1 | <BB_2632> |
What is the molecular formula for <BB_2632>? | The molecular formula for <BB_2632> (CCOC(=O)c1nc(=O)ss1) is C5H5NO3S2. | |
Describe the ring structures in building block <BB_2632>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2632>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2632>. | **Token:** <BB_2632>
**SMILES:** CCOC(=O)c1nc(=O)ss1
**Molecular Formula:** C5H5NO3S2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2633>. | O=C([O-])Cc1nnc(-c2ccncc2)[nH]1.[Na+] | |
What is the building block token for the following molecule? | O=C([O-])Cc1nnc(-c2ccncc2)[nH]1.[Na+] | <BB_2633> |
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