instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_3116>. | The molecule contains the following groups: Amine, Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3116>. | **Token:** <BB_3116>
**SMILES:** NNc1cc(Cl)nc(C2CCOCC2)n1
**Molecular Formula:** C9H13ClN4O
**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, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3117>. | COc1ccc2c(c1)OCCNC2=O | |
What is the building block token for the following molecule? | COc1ccc2c(c1)OCCNC2=O | <BB_3117> |
What is the molecular formula for <BB_3117>? | The molecular formula for <BB_3117> (COc1ccc2c(c1)OCCNC2=O) is C10H11NO3. | |
Describe the ring structures in building block <BB_3117>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_3117>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3117>. | **Token:** <BB_3117>
**SMILES:** COc1ccc2c(c1)OCCNC2=O
**Molecular Formula:** C10H11NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 7.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_3118>. | CC(C)(C)OC(=O)N1CCC(CO)(C(F)(F)F)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC(CO)(C(F)(F)F)C1 | <BB_3118> |
What is the molecular formula for <BB_3118>? | The molecular formula for <BB_3118> (CC(C)(C)OC(=O)N1CCC(CO)(C(F)(F)F)C1) is C11H18F3NO3. | |
Describe the ring structures in building block <BB_3118>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_3118>. | The molecule contains the following groups: Amide, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3118>. | **Token:** <BB_3118>
**SMILES:** CC(C)(C)OC(=O)N1CCC(CO)(C(F)(F)F)C1
**Molecular Formula:** C11H18F3NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3119>. | FC1(c2csc(Br)n2)CC1 | |
What is the building block token for the following molecule? | FC1(c2csc(Br)n2)CC1 | <BB_3119> |
What is the molecular formula for <BB_3119>? | The molecular formula for <BB_3119> (FC1(c2csc(Br)n2)CC1) is C6H5BrFNS. | |
Describe the ring structures in building block <BB_3119>. | 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_3119>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3119>. | **Token:** <BB_3119>
**SMILES:** FC1(c2csc(Br)n2)CC1
**Molecular Formula:** C6H5BrFNS
**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_3120>. | Cc1ccc(C(=O)OC(C)(C)C)s1 | |
What is the building block token for the following molecule? | Cc1ccc(C(=O)OC(C)(C)C)s1 | <BB_3120> |
What is the molecular formula for <BB_3120>? | The molecular formula for <BB_3120> (Cc1ccc(C(=O)OC(C)(C)C)s1) is C10H14O2S. | |
Describe the ring structures in building block <BB_3120>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3120>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3120>. | **Token:** <BB_3120>
**SMILES:** Cc1ccc(C(=O)OC(C)(C)C)s1
**Molecular Formula:** C10H14O2S
**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_3121>. | Cl.OC[C@@H]1CC(F)(F)CN1 | |
What is the building block token for the following molecule? | Cl.OC[C@@H]1CC(F)(F)CN1 | <BB_3121> |
What is the molecular formula for <BB_3121>? | The molecular formula for <BB_3121> (Cl.OC[C@@H]1CC(F)(F)CN1) is C5H10ClF2NO. | |
Describe the ring structures in building block <BB_3121>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_3121>. | The molecule contains the following groups: Secondary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3121>. | **Token:** <BB_3121>
**SMILES:** Cl.OC[C@@H]1CC(F)(F)CN1
**Molecular Formula:** C5H10ClF2NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3122>. | Nc1ncc(Br)cc1C(F)F | |
What is the building block token for the following molecule? | Nc1ncc(Br)cc1C(F)F | <BB_3122> |
What is the molecular formula for <BB_3122>? | The molecular formula for <BB_3122> (Nc1ncc(Br)cc1C(F)F) is C6H5BrF2N2. | |
Describe the ring structures in building block <BB_3122>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3122>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3122>. | **Token:** <BB_3122>
**SMILES:** Nc1ncc(Br)cc1C(F)F
**Molecular Formula:** C6H5BrF2N2
**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_3123>. | CS(=O)(=O)c1ccc(C2(C#N)CC2)cc1 | |
What is the building block token for the following molecule? | CS(=O)(=O)c1ccc(C2(C#N)CC2)cc1 | <BB_3123> |
What is the molecular formula for <BB_3123>? | The molecular formula for <BB_3123> (CS(=O)(=O)c1ccc(C2(C#N)CC2)cc1) is C11H11NO2S. | |
Describe the ring structures in building block <BB_3123>. | 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_3123>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_3123>. | **Token:** <BB_3123>
**SMILES:** CS(=O)(=O)c1ccc(C2(C#N)CC2)cc1
**Molecular Formula:** C11H11NO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_3124>. | Brc1cc2cnoc2cn1 | |
What is the building block token for the following molecule? | Brc1cc2cnoc2cn1 | <BB_3124> |
What is the molecular formula for <BB_3124>? | The molecular formula for <BB_3124> (Brc1cc2cnoc2cn1) is C6H3BrN2O. | |
Describe the ring structures in building block <BB_3124>. | 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_3124>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3124>. | **Token:** <BB_3124>
**SMILES:** Brc1cc2cnoc2cn1
**Molecular Formula:** C6H3BrN2O
**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_3125>. | Fc1cc(CBr)cc(F)c1Br | |
What is the building block token for the following molecule? | Fc1cc(CBr)cc(F)c1Br | <BB_3125> |
What is the molecular formula for <BB_3125>? | The molecular formula for <BB_3125> (Fc1cc(CBr)cc(F)c1Br) is C7H4Br2F2. | |
Describe the ring structures in building block <BB_3125>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3125>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3125>. | **Token:** <BB_3125>
**SMILES:** Fc1cc(CBr)cc(F)c1Br
**Molecular Formula:** C7H4Br2F2
**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_3126>. | CC(C)(C)NC(=O)CN1CCN(C(=O)CCl)CC1 | |
What is the building block token for the following molecule? | CC(C)(C)NC(=O)CN1CCN(C(=O)CCl)CC1 | <BB_3126> |
What is the molecular formula for <BB_3126>? | The molecular formula for <BB_3126> (CC(C)(C)NC(=O)CN1CCN(C(=O)CCl)CC1) is C12H22ClN3O2. | |
Describe the ring structures in building block <BB_3126>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_3126>. | The molecule contains the following groups: Tertiary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3126>. | **Token:** <BB_3126>
**SMILES:** CC(C)(C)NC(=O)CN1CCN(C(=O)CCl)CC1
**Molecular Formula:** C12H22ClN3O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3127>. | Clc1ccc(-c2n[nH]cc2Br)cc1 | |
What is the building block token for the following molecule? | Clc1ccc(-c2n[nH]cc2Br)cc1 | <BB_3127> |
What is the molecular formula for <BB_3127>? | The molecular formula for <BB_3127> (Clc1ccc(-c2n[nH]cc2Br)cc1) is C9H6BrClN2. | |
Describe the ring structures in building block <BB_3127>. | 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_3127>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3127>. | **Token:** <BB_3127>
**SMILES:** Clc1ccc(-c2n[nH]cc2Br)cc1
**Molecular Formula:** C9H6BrClN2
**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_3128>. | NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2 | |
What is the building block token for the following molecule? | NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2 | <BB_3128> |
What is the molecular formula for <BB_3128>? | The molecular formula for <BB_3128> (NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2) is C11H19NO2S. | |
Describe the ring structures in building block <BB_3128>. | The molecule contains 4 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_3128>. | The molecule contains the following groups: Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_3128>. | **Token:** <BB_3128>
**SMILES:** NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2
**Molecular Formula:** C11H19NO2S
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_3129>. | CC1(C)O[C@H]2[C@@H](O)CC[C@H]2O1 | |
What is the building block token for the following molecule? | CC1(C)O[C@H]2[C@@H](O)CC[C@H]2O1 | <BB_3129> |
What is the molecular formula for <BB_3129>? | The molecular formula for <BB_3129> (CC1(C)O[C@H]2[C@@H](O)CC[C@H]2O1) is C8H14O3. | |
Describe the ring structures in building block <BB_3129>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_3129>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3129>. | **Token:** <BB_3129>
**SMILES:** CC1(C)O[C@H]2[C@@H](O)CC[C@H]2O1
**Molecular Formula:** C8H14O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_3130>. | N#Cc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 | |
What is the building block token for the following molecule? | N#Cc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 | <BB_3130> |
What is the molecular formula for <BB_3130>? | The molecular formula for <BB_3130> (N#Cc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1) is C13H8N2O3. | |
Describe the ring structures in building block <BB_3130>. | 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_3130>. | The molecule contains the following groups: Tertiary Amine, Ether, Nitrile, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_3130>. | **Token:** <BB_3130>
**SMILES:** N#Cc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1
**Molecular Formula:** C13H8N2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ether, Nitrile, Nitro | |
Provide the SMILES representation for the building block token <BB_3131>. | COC(=O)C(C)(N)Cc1ccc(F)cc1.Cl | |
What is the building block token for the following molecule? | COC(=O)C(C)(N)Cc1ccc(F)cc1.Cl | <BB_3131> |
What is the molecular formula for <BB_3131>? | The molecular formula for <BB_3131> (COC(=O)C(C)(N)Cc1ccc(F)cc1.Cl) is C11H15ClFNO2. | |
Describe the ring structures in building block <BB_3131>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3131>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3131>. | **Token:** <BB_3131>
**SMILES:** COC(=O)C(C)(N)Cc1ccc(F)cc1.Cl
**Molecular Formula:** C11H15ClFNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3132>. | Cc1ccc(C2CC(C(F)(F)F)n3nccc3N2)s1 | |
What is the building block token for the following molecule? | Cc1ccc(C2CC(C(F)(F)F)n3nccc3N2)s1 | <BB_3132> |
What is the molecular formula for <BB_3132>? | The molecular formula for <BB_3132> (Cc1ccc(C2CC(C(F)(F)F)n3nccc3N2)s1) is C12H12F3N3S. | |
Describe the ring structures in building block <BB_3132>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3132>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3132>. | **Token:** <BB_3132>
**SMILES:** Cc1ccc(C2CC(C(F)(F)F)n3nccc3N2)s1
**Molecular Formula:** C12H12F3N3S
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3133>. | Fc1nccc(Cl)c1I | |
What is the building block token for the following molecule? | Fc1nccc(Cl)c1I | <BB_3133> |
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