instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_2066>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2066>. | **Token:** <BB_2066>
**SMILES:** O=C(O)CCn1cc(Br)c(C(F)(F)F)n1
**Molecular Formula:** C7H6BrF3N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2067>. | NC(=S)C1CN(C(=O)OCc2ccccc2)CCO1 | |
What is the building block token for the following molecule? | NC(=S)C1CN(C(=O)OCc2ccccc2)CCO1 | <BB_2067> |
What is the molecular formula for <BB_2067>? | The molecular formula for <BB_2067> (NC(=S)C1CN(C(=O)OCc2ccccc2)CCO1) is C13H16N2O3S. | |
Describe the ring structures in building block <BB_2067>. | 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_2067>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2067>. | **Token:** <BB_2067>
**SMILES:** NC(=S)C1CN(C(=O)OCc2ccccc2)CCO1
**Molecular Formula:** C13H16N2O3S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2068>. | CS(=O)(=O)N1CCCC(C=O)C1 | |
What is the building block token for the following molecule? | CS(=O)(=O)N1CCCC(C=O)C1 | <BB_2068> |
What is the molecular formula for <BB_2068>? | The molecular formula for <BB_2068> (CS(=O)(=O)N1CCCC(C=O)C1) is C7H13NO3S. | |
Describe the ring structures in building block <BB_2068>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2068>. | The molecule contains the following groups: Tertiary Amine, Aldehyde, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2068>. | **Token:** <BB_2068>
**SMILES:** CS(=O)(=O)N1CCCC(C=O)C1
**Molecular Formula:** C7H13NO3S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Aldehyde, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2069>. | Cn1c(=O)oc2cc(CN)ccc21 | |
What is the building block token for the following molecule? | Cn1c(=O)oc2cc(CN)ccc21 | <BB_2069> |
What is the molecular formula for <BB_2069>? | The molecular formula for <BB_2069> (Cn1c(=O)oc2cc(CN)ccc21) is C9H10N2O2. | |
Describe the ring structures in building block <BB_2069>. | 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_2069>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2069>. | **Token:** <BB_2069>
**SMILES:** Cn1c(=O)oc2cc(CN)ccc21
**Molecular Formula:** C9H10N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_2070>. | c1ccc2c3c([nH]c2c1)CCC3 | |
What is the building block token for the following molecule? | c1ccc2c3c([nH]c2c1)CCC3 | <BB_2070> |
What is the molecular formula for <BB_2070>? | The molecular formula for <BB_2070> (c1ccc2c3c([nH]c2c1)CCC3) is C11H11N. | |
Describe the ring structures in building block <BB_2070>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2070>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2070>. | **Token:** <BB_2070>
**SMILES:** c1ccc2c3c([nH]c2c1)CCC3
**Molecular Formula:** C11H11N
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2071>. | OCCc1ccc(O)c(O)c1 | |
What is the building block token for the following molecule? | OCCc1ccc(O)c(O)c1 | <BB_2071> |
What is the molecular formula for <BB_2071>? | The molecular formula for <BB_2071> (OCCc1ccc(O)c(O)c1) is C8H10O3. | |
Describe the ring structures in building block <BB_2071>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2071>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2071>. | **Token:** <BB_2071>
**SMILES:** OCCc1ccc(O)c(O)c1
**Molecular Formula:** C8H10O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_2072>. | CC(C)(CS(=O)(=O)Cl)NC(=O)OCc1ccccc1 | |
What is the building block token for the following molecule? | CC(C)(CS(=O)(=O)Cl)NC(=O)OCc1ccccc1 | <BB_2072> |
What is the molecular formula for <BB_2072>? | The molecular formula for <BB_2072> (CC(C)(CS(=O)(=O)Cl)NC(=O)OCc1ccccc1) is C12H16ClNO4S. | |
Describe the ring structures in building block <BB_2072>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2072>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2072>. | **Token:** <BB_2072>
**SMILES:** CC(C)(CS(=O)(=O)Cl)NC(=O)OCc1ccccc1
**Molecular Formula:** C12H16ClNO4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2073>. | CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C#N)CC1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C#N)CC1 | <BB_2073> |
What is the molecular formula for <BB_2073>? | The molecular formula for <BB_2073> (CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C#N)CC1) is C12H20N2O2. | |
Describe the ring structures in building block <BB_2073>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2073>. | The molecule contains the following groups: Amide, Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2073>. | **Token:** <BB_2073>
**SMILES:** CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C#N)CC1
**Molecular Formula:** C12H20N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_2074>. | CC(C)c1nc(CC(=O)O)n(C)n1 | |
What is the building block token for the following molecule? | CC(C)c1nc(CC(=O)O)n(C)n1 | <BB_2074> |
What is the molecular formula for <BB_2074>? | The molecular formula for <BB_2074> (CC(C)c1nc(CC(=O)O)n(C)n1) is C8H13N3O2. | |
Describe the ring structures in building block <BB_2074>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2074>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2074>. | **Token:** <BB_2074>
**SMILES:** CC(C)c1nc(CC(=O)O)n(C)n1
**Molecular Formula:** C8H13N3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2075>. | Cc1scc(C(=O)O)c1C | |
What is the building block token for the following molecule? | Cc1scc(C(=O)O)c1C | <BB_2075> |
What is the molecular formula for <BB_2075>? | The molecular formula for <BB_2075> (Cc1scc(C(=O)O)c1C) is C7H8O2S. | |
Describe the ring structures in building block <BB_2075>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2075>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2075>. | **Token:** <BB_2075>
**SMILES:** Cc1scc(C(=O)O)c1C
**Molecular Formula:** C7H8O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2076>. | CCCCOc1ccc(Br)cc1C=O | |
What is the building block token for the following molecule? | CCCCOc1ccc(Br)cc1C=O | <BB_2076> |
What is the molecular formula for <BB_2076>? | The molecular formula for <BB_2076> (CCCCOc1ccc(Br)cc1C=O) is C11H13BrO2. | |
Describe the ring structures in building block <BB_2076>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2076>. | The molecule contains the following groups: Aldehyde, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2076>. | **Token:** <BB_2076>
**SMILES:** CCCCOc1ccc(Br)cc1C=O
**Molecular Formula:** C11H13BrO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2077>. | O=C(Cc1ccccn1)c1ccc(Br)cc1 | |
What is the building block token for the following molecule? | O=C(Cc1ccccn1)c1ccc(Br)cc1 | <BB_2077> |
What is the molecular formula for <BB_2077>? | The molecular formula for <BB_2077> (O=C(Cc1ccccn1)c1ccc(Br)cc1) is C13H10BrNO. | |
Describe the ring structures in building block <BB_2077>. | 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_2077>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2077>. | **Token:** <BB_2077>
**SMILES:** O=C(Cc1ccccn1)c1ccc(Br)cc1
**Molecular Formula:** C13H10BrNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2078>. | OC[C@@H]1CC[C@H]1C(F)(F)F | |
What is the building block token for the following molecule? | OC[C@@H]1CC[C@H]1C(F)(F)F | <BB_2078> |
What is the molecular formula for <BB_2078>? | The molecular formula for <BB_2078> (OC[C@@H]1CC[C@H]1C(F)(F)F) is C6H9F3O. | |
Describe the ring structures in building block <BB_2078>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2078>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2078>. | **Token:** <BB_2078>
**SMILES:** OC[C@@H]1CC[C@H]1C(F)(F)F
**Molecular Formula:** C6H9F3O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2079>. | COc1cc(C#N)ccc1O | |
What is the building block token for the following molecule? | COc1cc(C#N)ccc1O | <BB_2079> |
What is the molecular formula for <BB_2079>? | The molecular formula for <BB_2079> (COc1cc(C#N)ccc1O) is C8H7NO2. | |
Describe the ring structures in building block <BB_2079>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2079>. | The molecule contains the following groups: Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2079>. | **Token:** <BB_2079>
**SMILES:** COc1cc(C#N)ccc1O
**Molecular Formula:** C8H7NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_2080>. | CNC1CCCC1C#N | |
What is the building block token for the following molecule? | CNC1CCCC1C#N | <BB_2080> |
What is the molecular formula for <BB_2080>? | The molecular formula for <BB_2080> (CNC1CCCC1C#N) is C7H12N2. | |
Describe the ring structures in building block <BB_2080>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2080>. | The molecule contains the following groups: Secondary Amine, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2080>. | **Token:** <BB_2080>
**SMILES:** CNC1CCCC1C#N
**Molecular Formula:** C7H12N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Nitrile | |
Provide the SMILES representation for the building block token <BB_2081>. | CC(C)(C)OC(=O)N1CC2CCC1(C(=O)O)CC2 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC2CCC1(C(=O)O)CC2 | <BB_2081> |
What is the molecular formula for <BB_2081>? | The molecular formula for <BB_2081> (CC(C)(C)OC(=O)N1CC2CCC1(C(=O)O)CC2) is C13H21NO4. | |
Describe the ring structures in building block <BB_2081>. | The molecule contains 3 ring(s): 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_2081>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2081>. | **Token:** <BB_2081>
**SMILES:** CC(C)(C)OC(=O)N1CC2CCC1(C(=O)O)CC2
**Molecular Formula:** C13H21NO4
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2082>. | CCCC1CCCNC1.Cl | |
What is the building block token for the following molecule? | CCCC1CCCNC1.Cl | <BB_2082> |
What is the molecular formula for <BB_2082>? | The molecular formula for <BB_2082> (CCCC1CCCNC1.Cl) is C8H18ClN. | |
Describe the ring structures in building block <BB_2082>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2082>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2082>. | **Token:** <BB_2082>
**SMILES:** CCCC1CCCNC1.Cl
**Molecular Formula:** C8H18ClN
**Ring System:** The molecule contains 1 ring(s): 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_2083>. | O=C(O)c1coc(-c2cccs2)n1 | |
What is the building block token for the following molecule? | O=C(O)c1coc(-c2cccs2)n1 | <BB_2083> |
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