instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_2150>. | O=Cc1ccc(CC(F)(F)F)cc1F | |
What is the building block token for the following molecule? | O=Cc1ccc(CC(F)(F)F)cc1F | <BB_2150> |
What is the molecular formula for <BB_2150>? | The molecular formula for <BB_2150> (O=Cc1ccc(CC(F)(F)F)cc1F) is C9H6F4O. | |
Describe the ring structures in building block <BB_2150>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2150>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2150>. | **Token:** <BB_2150>
**SMILES:** O=Cc1ccc(CC(F)(F)F)cc1F
**Molecular Formula:** C9H6F4O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2151>. | Cc1conc1CS | |
What is the building block token for the following molecule? | Cc1conc1CS | <BB_2151> |
What is the molecular formula for <BB_2151>? | The molecular formula for <BB_2151> (Cc1conc1CS) is C5H7NOS. | |
Describe the ring structures in building block <BB_2151>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2151>. | The molecule contains the following groups: Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_2151>. | **Token:** <BB_2151>
**SMILES:** Cc1conc1CS
**Molecular Formula:** C5H7NOS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Thiol | |
Provide the SMILES representation for the building block token <BB_2152>. | CNCc1ccc(-c2ccc(F)cc2)o1 | |
What is the building block token for the following molecule? | CNCc1ccc(-c2ccc(F)cc2)o1 | <BB_2152> |
What is the molecular formula for <BB_2152>? | The molecular formula for <BB_2152> (CNCc1ccc(-c2ccc(F)cc2)o1) is C12H12FNO. | |
Describe the ring structures in building block <BB_2152>. | 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_2152>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2152>. | **Token:** <BB_2152>
**SMILES:** CNCc1ccc(-c2ccc(F)cc2)o1
**Molecular Formula:** C12H12FNO
**Ring System:** The molecule contains 2 ring(s): an aromatic 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_2153>. | O=C([O-])C(O)c1ncccn1.[Li+] | |
What is the building block token for the following molecule? | O=C([O-])C(O)c1ncccn1.[Li+] | <BB_2153> |
What is the molecular formula for <BB_2153>? | The molecular formula for <BB_2153> (O=C([O-])C(O)c1ncccn1.[Li+]) is C6H5LiN2O3. | |
Describe the ring structures in building block <BB_2153>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2153>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2153>. | **Token:** <BB_2153>
**SMILES:** O=C([O-])C(O)c1ncccn1.[Li+]
**Molecular Formula:** C6H5LiN2O3
**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_2154>. | O=C([O-])CSc1cc(Cl)ccc1Cl.[K+] | |
What is the building block token for the following molecule? | O=C([O-])CSc1cc(Cl)ccc1Cl.[K+] | <BB_2154> |
What is the molecular formula for <BB_2154>? | The molecular formula for <BB_2154> (O=C([O-])CSc1cc(Cl)ccc1Cl.[K+]) is C8H5Cl2KO2S. | |
Describe the ring structures in building block <BB_2154>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2154>. | The molecule contains the following groups: Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2154>. | **Token:** <BB_2154>
**SMILES:** O=C([O-])CSc1cc(Cl)ccc1Cl.[K+]
**Molecular Formula:** C8H5Cl2KO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2155>. | O=C(O)CC1(c2ccccc2)CCOCC1 | |
What is the building block token for the following molecule? | O=C(O)CC1(c2ccccc2)CCOCC1 | <BB_2155> |
What is the molecular formula for <BB_2155>? | The molecular formula for <BB_2155> (O=C(O)CC1(c2ccccc2)CCOCC1) is C13H16O3. | |
Describe the ring structures in building block <BB_2155>. | 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_2155>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2155>. | **Token:** <BB_2155>
**SMILES:** O=C(O)CC1(c2ccccc2)CCOCC1
**Molecular Formula:** C13H16O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_2156>. | COc1cc(C(C)(C)C)c2oc(C(=O)O)c(C)c2c1 | |
What is the building block token for the following molecule? | COc1cc(C(C)(C)C)c2oc(C(=O)O)c(C)c2c1 | <BB_2156> |
What is the molecular formula for <BB_2156>? | The molecular formula for <BB_2156> (COc1cc(C(C)(C)C)c2oc(C(=O)O)c(C)c2c1) is C15H18O4. | |
Describe the ring structures in building block <BB_2156>. | 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_2156>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2156>. | **Token:** <BB_2156>
**SMILES:** COc1cc(C(C)(C)C)c2oc(C(=O)O)c(C)c2c1
**Molecular Formula:** C15H18O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_2157>. | Cc1cnnn1CC(=O)O | |
What is the building block token for the following molecule? | Cc1cnnn1CC(=O)O | <BB_2157> |
What is the molecular formula for <BB_2157>? | The molecular formula for <BB_2157> (Cc1cnnn1CC(=O)O) is C5H7N3O2. | |
Describe the ring structures in building block <BB_2157>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2157>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2157>. | **Token:** <BB_2157>
**SMILES:** Cc1cnnn1CC(=O)O
**Molecular Formula:** C5H7N3O2
**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_2158>. | FC1(F)COCC1CBr | |
What is the building block token for the following molecule? | FC1(F)COCC1CBr | <BB_2158> |
What is the molecular formula for <BB_2158>? | The molecular formula for <BB_2158> (FC1(F)COCC1CBr) is C5H7BrF2O. | |
Describe the ring structures in building block <BB_2158>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2158>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2158>. | **Token:** <BB_2158>
**SMILES:** FC1(F)COCC1CBr
**Molecular Formula:** C5H7BrF2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2159>. | CC(C)(C)OC(=O)[C@@H]1CC[C@H](N)C1.Cl | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)[C@@H]1CC[C@H](N)C1.Cl | <BB_2159> |
What is the molecular formula for <BB_2159>? | The molecular formula for <BB_2159> (CC(C)(C)OC(=O)[C@@H]1CC[C@H](N)C1.Cl) is C10H20ClNO2. | |
Describe the ring structures in building block <BB_2159>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2159>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2159>. | **Token:** <BB_2159>
**SMILES:** CC(C)(C)OC(=O)[C@@H]1CC[C@H](N)C1.Cl
**Molecular Formula:** C10H20ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2160>. | CN(CCC(F)(F)F)c1ccc(N)nc1 | |
What is the building block token for the following molecule? | CN(CCC(F)(F)F)c1ccc(N)nc1 | <BB_2160> |
What is the molecular formula for <BB_2160>? | The molecular formula for <BB_2160> (CN(CCC(F)(F)F)c1ccc(N)nc1) is C9H12F3N3. | |
Describe the ring structures in building block <BB_2160>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2160>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2160>. | **Token:** <BB_2160>
**SMILES:** CN(CCC(F)(F)F)c1ccc(N)nc1
**Molecular Formula:** C9H12F3N3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2161>. | O=C(O)CS(=O)(=O)c1ccc(F)cc1 | |
What is the building block token for the following molecule? | O=C(O)CS(=O)(=O)c1ccc(F)cc1 | <BB_2161> |
What is the molecular formula for <BB_2161>? | The molecular formula for <BB_2161> (O=C(O)CS(=O)(=O)c1ccc(F)cc1) is C8H7FO4S. | |
Describe the ring structures in building block <BB_2161>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2161>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2161>. | **Token:** <BB_2161>
**SMILES:** O=C(O)CS(=O)(=O)c1ccc(F)cc1
**Molecular Formula:** C8H7FO4S
**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_2162>. | O=S(=O)(Cl)c1cc(F)c(Br)c(F)c1 | |
What is the building block token for the following molecule? | O=S(=O)(Cl)c1cc(F)c(Br)c(F)c1 | <BB_2162> |
What is the molecular formula for <BB_2162>? | The molecular formula for <BB_2162> (O=S(=O)(Cl)c1cc(F)c(Br)c(F)c1) is C6H2BrClF2O2S. | |
Describe the ring structures in building block <BB_2162>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2162>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2162>. | **Token:** <BB_2162>
**SMILES:** O=S(=O)(Cl)c1cc(F)c(Br)c(F)c1
**Molecular Formula:** C6H2BrClF2O2S
**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_2163>. | CC(C)[C@@H]1NS(=O)(=O)NC1=O | |
What is the building block token for the following molecule? | CC(C)[C@@H]1NS(=O)(=O)NC1=O | <BB_2163> |
What is the molecular formula for <BB_2163>? | The molecular formula for <BB_2163> (CC(C)[C@@H]1NS(=O)(=O)NC1=O) is C5H10N2O3S. | |
Describe the ring structures in building block <BB_2163>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2163>. | The molecule contains the following groups: Secondary Amine, Amide, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2163>. | **Token:** <BB_2163>
**SMILES:** CC(C)[C@@H]1NS(=O)(=O)NC1=O
**Molecular Formula:** C5H10N2O3S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Amide, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2164>. | Nc1cc2n(n1)CCCN(Cc1ccccc1)C2 | |
What is the building block token for the following molecule? | Nc1cc2n(n1)CCCN(Cc1ccccc1)C2 | <BB_2164> |
What is the molecular formula for <BB_2164>? | The molecular formula for <BB_2164> (Nc1cc2n(n1)CCCN(Cc1ccccc1)C2) is C14H18N4. | |
Describe the ring structures in building block <BB_2164>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 7, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2164>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2164>. | **Token:** <BB_2164>
**SMILES:** Nc1cc2n(n1)CCCN(Cc1ccccc1)C2
**Molecular Formula:** C14H18N4
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 7, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_2165>. | COc1cc(OC)cc(C(N)c2nccn2C)c1 | |
What is the building block token for the following molecule? | COc1cc(OC)cc(C(N)c2nccn2C)c1 | <BB_2165> |
What is the molecular formula for <BB_2165>? | The molecular formula for <BB_2165> (COc1cc(OC)cc(C(N)c2nccn2C)c1) is C13H17N3O2. | |
Describe the ring structures in building block <BB_2165>. | 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_2165>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2165>. | **Token:** <BB_2165>
**SMILES:** COc1cc(OC)cc(C(N)c2nccn2C)c1
**Molecular Formula:** C13H17N3O2
**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_2166>. | CC(C)(C)OC(=O)N1CC2(C1)C(N)CC21CCC1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC2(C1)C(N)CC21CCC1 | <BB_2166> |
What is the molecular formula for <BB_2166>? | The molecular formula for <BB_2166> (CC(C)(C)OC(=O)N1CC2(C1)C(N)CC21CCC1) is C14H24N2O2. | |
Describe the ring structures in building block <BB_2166>. | The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 4. |
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