instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_2966>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2966>. | **Token:** <BB_2966>
**SMILES:** CC(C)(C)OC(=O)N1CCC(n2ccc(N)n2)C1
**Molecular Formula:** C12H20N4O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2967>. | CC(C)(C)OC(=O)N1C[C@H](N)C[C@H]1c1ccccc1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1C[C@H](N)C[C@H]1c1ccccc1 | <BB_2967> |
What is the molecular formula for <BB_2967>? | The molecular formula for <BB_2967> (CC(C)(C)OC(=O)N1C[C@H](N)C[C@H]1c1ccccc1) is C15H22N2O2. | |
Describe the ring structures in building block <BB_2967>. | 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_2967>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2967>. | **Token:** <BB_2967>
**SMILES:** CC(C)(C)OC(=O)N1C[C@H](N)C[C@H]1c1ccccc1
**Molecular Formula:** C15H22N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2968>. | Cl.c1ccc2c(c1)CC(C1CCNC1)C2 | |
What is the building block token for the following molecule? | Cl.c1ccc2c(c1)CC(C1CCNC1)C2 | <BB_2968> |
What is the molecular formula for <BB_2968>? | The molecular formula for <BB_2968> (Cl.c1ccc2c(c1)CC(C1CCNC1)C2) is C13H18ClN. | |
Describe the ring structures in building block <BB_2968>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2968>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2968>. | **Token:** <BB_2968>
**SMILES:** Cl.c1ccc2c(c1)CC(C1CCNC1)C2
**Molecular Formula:** C13H18ClN
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2969>. | OC(c1ncc[nH]1)C1CCCCC1 | |
What is the building block token for the following molecule? | OC(c1ncc[nH]1)C1CCCCC1 | <BB_2969> |
What is the molecular formula for <BB_2969>? | The molecular formula for <BB_2969> (OC(c1ncc[nH]1)C1CCCCC1) is C10H16N2O. | |
Describe the ring structures in building block <BB_2969>. | 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_2969>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2969>. | **Token:** <BB_2969>
**SMILES:** OC(c1ncc[nH]1)C1CCCCC1
**Molecular Formula:** C10H16N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_2970>. | Nc1nc(Cl)cc(Cl)c1[N+](=O)[O-] | |
What is the building block token for the following molecule? | Nc1nc(Cl)cc(Cl)c1[N+](=O)[O-] | <BB_2970> |
What is the molecular formula for <BB_2970>? | The molecular formula for <BB_2970> (Nc1nc(Cl)cc(Cl)c1[N+](=O)[O-]) is C5H3Cl2N3O2. | |
Describe the ring structures in building block <BB_2970>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2970>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_2970>. | **Token:** <BB_2970>
**SMILES:** Nc1nc(Cl)cc(Cl)c1[N+](=O)[O-]
**Molecular Formula:** C5H3Cl2N3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_2971>. | COc1ccc(CSc2nnc(S)s2)cc1 | |
What is the building block token for the following molecule? | COc1ccc(CSc2nnc(S)s2)cc1 | <BB_2971> |
What is the molecular formula for <BB_2971>? | The molecular formula for <BB_2971> (COc1ccc(CSc2nnc(S)s2)cc1) is C10H10N2OS3. | |
Describe the ring structures in building block <BB_2971>. | 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_2971>. | The molecule contains the following groups: Ether, Thiol, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_2971>. | **Token:** <BB_2971>
**SMILES:** COc1ccc(CSc2nnc(S)s2)cc1
**Molecular Formula:** C10H10N2OS3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ether, Thiol, Sulfide | |
Provide the SMILES representation for the building block token <BB_2972>. | CCC(Br)C(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | CCC(Br)C(=O)OC(C)(C)C | <BB_2972> |
What is the molecular formula for <BB_2972>? | The molecular formula for <BB_2972> (CCC(Br)C(=O)OC(C)(C)C) is C8H15BrO2. | |
Describe the ring structures in building block <BB_2972>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2972>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2972>. | **Token:** <BB_2972>
**SMILES:** CCC(Br)C(=O)OC(C)(C)C
**Molecular Formula:** C8H15BrO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2973>. | O=C(O)c1cc(-n2cnnc2)ccn1 | |
What is the building block token for the following molecule? | O=C(O)c1cc(-n2cnnc2)ccn1 | <BB_2973> |
What is the molecular formula for <BB_2973>? | The molecular formula for <BB_2973> (O=C(O)c1cc(-n2cnnc2)ccn1) is C8H6N4O2. | |
Describe the ring structures in building block <BB_2973>. | 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_2973>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2973>. | **Token:** <BB_2973>
**SMILES:** O=C(O)c1cc(-n2cnnc2)ccn1
**Molecular Formula:** C8H6N4O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2974>. | CC1(C)OB(C2CNCC23CCC3)OC1(C)C.Cl | |
What is the building block token for the following molecule? | CC1(C)OB(C2CNCC23CCC3)OC1(C)C.Cl | <BB_2974> |
What is the molecular formula for <BB_2974>? | The molecular formula for <BB_2974> (CC1(C)OB(C2CNCC23CCC3)OC1(C)C.Cl) is C13H25BClNO2. | |
Describe the ring structures in building block <BB_2974>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2974>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2974>. | **Token:** <BB_2974>
**SMILES:** CC1(C)OB(C2CNCC23CCC3)OC1(C)C.Cl
**Molecular Formula:** C13H25BClNO2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2975>. | CC1Cc2ccc(F)cc2C1N.Cl | |
What is the building block token for the following molecule? | CC1Cc2ccc(F)cc2C1N.Cl | <BB_2975> |
What is the molecular formula for <BB_2975>? | The molecular formula for <BB_2975> (CC1Cc2ccc(F)cc2C1N.Cl) is C10H13ClFN. | |
Describe the ring structures in building block <BB_2975>. | 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_2975>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2975>. | **Token:** <BB_2975>
**SMILES:** CC1Cc2ccc(F)cc2C1N.Cl
**Molecular Formula:** C10H13ClFN
**Ring System:** The molecule contains 2 ring(s): an aliphatic 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_2976>. | Cl.O=C(O)C(F)(F)CNCc1cc(Cl)sc1Cl | |
What is the building block token for the following molecule? | Cl.O=C(O)C(F)(F)CNCc1cc(Cl)sc1Cl | <BB_2976> |
What is the molecular formula for <BB_2976>? | The molecular formula for <BB_2976> (Cl.O=C(O)C(F)(F)CNCc1cc(Cl)sc1Cl) is C8H8Cl3F2NO2S. | |
Describe the ring structures in building block <BB_2976>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2976>. | 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_2976>. | **Token:** <BB_2976>
**SMILES:** Cl.O=C(O)C(F)(F)CNCc1cc(Cl)sc1Cl
**Molecular Formula:** C8H8Cl3F2NO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2977>. | COc1ccn2nc(N)nc2c1 | |
What is the building block token for the following molecule? | COc1ccn2nc(N)nc2c1 | <BB_2977> |
What is the molecular formula for <BB_2977>? | The molecular formula for <BB_2977> (COc1ccn2nc(N)nc2c1) is C7H8N4O. | |
Describe the ring structures in building block <BB_2977>. | 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_2977>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2977>. | **Token:** <BB_2977>
**SMILES:** COc1ccn2nc(N)nc2c1
**Molecular Formula:** C7H8N4O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2978>. | Cl.Nc1ncc(Cc2ccc(F)cc2F)s1 | |
What is the building block token for the following molecule? | Cl.Nc1ncc(Cc2ccc(F)cc2F)s1 | <BB_2978> |
What is the molecular formula for <BB_2978>? | The molecular formula for <BB_2978> (Cl.Nc1ncc(Cc2ccc(F)cc2F)s1) is C10H9ClF2N2S. | |
Describe the ring structures in building block <BB_2978>. | 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_2978>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2978>. | **Token:** <BB_2978>
**SMILES:** Cl.Nc1ncc(Cc2ccc(F)cc2F)s1
**Molecular Formula:** C10H9ClF2N2S
**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_2979>. | CC(C)(C)OC(=O)CC(O)C(=O)O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)CC(O)C(=O)O | <BB_2979> |
What is the molecular formula for <BB_2979>? | The molecular formula for <BB_2979> (CC(C)(C)OC(=O)CC(O)C(=O)O) is C8H14O5. | |
Describe the ring structures in building block <BB_2979>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2979>. | The molecule contains the following groups: Carboxylic Acid, Ester, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2979>. | **Token:** <BB_2979>
**SMILES:** CC(C)(C)OC(=O)CC(O)C(=O)O
**Molecular Formula:** C8H14O5
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Ester, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2980>. | CN(C)C(OC(C)(C)C)N(C)C | |
What is the building block token for the following molecule? | CN(C)C(OC(C)(C)C)N(C)C | <BB_2980> |
What is the molecular formula for <BB_2980>? | The molecular formula for <BB_2980> (CN(C)C(OC(C)(C)C)N(C)C) is C9H22N2O. | |
Describe the ring structures in building block <BB_2980>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2980>. | The molecule contains the following groups: Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2980>. | **Token:** <BB_2980>
**SMILES:** CN(C)C(OC(C)(C)C)N(C)C
**Molecular Formula:** C9H22N2O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2981>. | Cc1c(N)cccc1C(=O)Nc1ccccc1 | |
What is the building block token for the following molecule? | Cc1c(N)cccc1C(=O)Nc1ccccc1 | <BB_2981> |
What is the molecular formula for <BB_2981>? | The molecular formula for <BB_2981> (Cc1c(N)cccc1C(=O)Nc1ccccc1) is C14H14N2O. | |
Describe the ring structures in building block <BB_2981>. | 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_2981>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2981>. | **Token:** <BB_2981>
**SMILES:** Cc1c(N)cccc1C(=O)Nc1ccccc1
**Molecular Formula:** C14H14N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_2982>. | Cl.Nc1cc(OC2CC2)ccc1F | |
What is the building block token for the following molecule? | Cl.Nc1cc(OC2CC2)ccc1F | <BB_2982> |
What is the molecular formula for <BB_2982>? | The molecular formula for <BB_2982> (Cl.Nc1cc(OC2CC2)ccc1F) is C9H11ClFNO. | |
Describe the ring structures in building block <BB_2982>. | 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_2982>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2982>. | **Token:** <BB_2982>
**SMILES:** Cl.Nc1cc(OC2CC2)ccc1F
**Molecular Formula:** C9H11ClFNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2983>. | O=C(O)C(F)(F)F.O=S(=O)(F)CCC1CNC1 | |
What is the building block token for the following molecule? | O=C(O)C(F)(F)F.O=S(=O)(F)CCC1CNC1 | <BB_2983> |
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