instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_2250>. | NC1CCc2nc(-c3ccc(F)cc3F)cn2C1 | |
What is the building block token for the following molecule? | NC1CCc2nc(-c3ccc(F)cc3F)cn2C1 | <BB_2250> |
What is the molecular formula for <BB_2250>? | The molecular formula for <BB_2250> (NC1CCc2nc(-c3ccc(F)cc3F)cn2C1) is C13H13F2N3. | |
Describe the ring structures in building block <BB_2250>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2250>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2250>. | **Token:** <BB_2250>
**SMILES:** NC1CCc2nc(-c3ccc(F)cc3F)cn2C1
**Molecular Formula:** C13H13F2N3
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, 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_2251>. | CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1 | <BB_2251> |
What is the molecular formula for <BB_2251>? | The molecular formula for <BB_2251> (CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1) is C12H14F3NO3. | |
Describe the ring structures in building block <BB_2251>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2251>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2251>. | **Token:** <BB_2251>
**SMILES:** CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1
**Molecular Formula:** C12H14F3NO3
**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_2252>. | CC1(C)COC(CO)CO1 | |
What is the building block token for the following molecule? | CC1(C)COC(CO)CO1 | <BB_2252> |
What is the molecular formula for <BB_2252>? | The molecular formula for <BB_2252> (CC1(C)COC(CO)CO1) is C7H14O3. | |
Describe the ring structures in building block <BB_2252>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2252>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2252>. | **Token:** <BB_2252>
**SMILES:** CC1(C)COC(CO)CO1
**Molecular Formula:** C7H14O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2253>. | Oc1c(Cl)cnc2c(Br)cccc12 | |
What is the building block token for the following molecule? | Oc1c(Cl)cnc2c(Br)cccc12 | <BB_2253> |
What is the molecular formula for <BB_2253>? | The molecular formula for <BB_2253> (Oc1c(Cl)cnc2c(Br)cccc12) is C9H5BrClNO. | |
Describe the ring structures in building block <BB_2253>. | 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_2253>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2253>. | **Token:** <BB_2253>
**SMILES:** Oc1c(Cl)cnc2c(Br)cccc12
**Molecular Formula:** C9H5BrClNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2254>. | C[C@H]1[C@@H](C(=O)O)CCN1C.Cl | |
What is the building block token for the following molecule? | C[C@H]1[C@@H](C(=O)O)CCN1C.Cl | <BB_2254> |
What is the molecular formula for <BB_2254>? | The molecular formula for <BB_2254> (C[C@H]1[C@@H](C(=O)O)CCN1C.Cl) is C7H14ClNO2. | |
Describe the ring structures in building block <BB_2254>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2254>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2254>. | **Token:** <BB_2254>
**SMILES:** C[C@H]1[C@@H](C(=O)O)CCN1C.Cl
**Molecular Formula:** C7H14ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2255>. | O=c1[nH]cc(I)c2cccnc12 | |
What is the building block token for the following molecule? | O=c1[nH]cc(I)c2cccnc12 | <BB_2255> |
What is the molecular formula for <BB_2255>? | The molecular formula for <BB_2255> (O=c1[nH]cc(I)c2cccnc12) is C8H5IN2O. | |
Describe the ring structures in building block <BB_2255>. | 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_2255>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2255>. | **Token:** <BB_2255>
**SMILES:** O=c1[nH]cc(I)c2cccnc12
**Molecular Formula:** C8H5IN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2256>. | Cl.NCc1ccc(Cn2ccccc2=O)cc1 | |
What is the building block token for the following molecule? | Cl.NCc1ccc(Cn2ccccc2=O)cc1 | <BB_2256> |
What is the molecular formula for <BB_2256>? | The molecular formula for <BB_2256> (Cl.NCc1ccc(Cn2ccccc2=O)cc1) is C13H15ClN2O. | |
Describe the ring structures in building block <BB_2256>. | 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_2256>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2256>. | **Token:** <BB_2256>
**SMILES:** Cl.NCc1ccc(Cn2ccccc2=O)cc1
**Molecular Formula:** C13H15ClN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2257>. | NS(=O)(=O)c1cncc2ccccc12 | |
What is the building block token for the following molecule? | NS(=O)(=O)c1cncc2ccccc12 | <BB_2257> |
What is the molecular formula for <BB_2257>? | The molecular formula for <BB_2257> (NS(=O)(=O)c1cncc2ccccc12) is C9H8N2O2S. | |
Describe the ring structures in building block <BB_2257>. | 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_2257>. | The molecule contains the following groups: Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2257>. | **Token:** <BB_2257>
**SMILES:** NS(=O)(=O)c1cncc2ccccc12
**Molecular Formula:** C9H8N2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2258>. | Cl.NCC1CCC2COCCC2O1 | |
What is the building block token for the following molecule? | Cl.NCC1CCC2COCCC2O1 | <BB_2258> |
What is the molecular formula for <BB_2258>? | The molecular formula for <BB_2258> (Cl.NCC1CCC2COCCC2O1) is C9H18ClNO2. | |
Describe the ring structures in building block <BB_2258>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2258>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2258>. | **Token:** <BB_2258>
**SMILES:** Cl.NCC1CCC2COCCC2O1
**Molecular Formula:** C9H18ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2259>. | [N-]=[N+]=NCC1=NO[C@@H]2CCCC[C@H]12 | |
What is the building block token for the following molecule? | [N-]=[N+]=NCC1=NO[C@@H]2CCCC[C@H]12 | <BB_2259> |
What is the molecular formula for <BB_2259>? | The molecular formula for <BB_2259> ([N-]=[N+]=NCC1=NO[C@@H]2CCCC[C@H]12) is C8H12N4O. | |
Describe the ring structures in building block <BB_2259>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2259>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2259>. | **Token:** <BB_2259>
**SMILES:** [N-]=[N+]=NCC1=NO[C@@H]2CCCC[C@H]12
**Molecular Formula:** C8H12N4O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2260>. | CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1CC(=O)O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1CC(=O)O | <BB_2260> |
What is the molecular formula for <BB_2260>? | The molecular formula for <BB_2260> (CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1CC(=O)O) is C11H19NO5. | |
Describe the ring structures in building block <BB_2260>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2260>. | The molecule contains the following groups: Carboxylic Acid, Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2260>. | **Token:** <BB_2260>
**SMILES:** CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1CC(=O)O
**Molecular Formula:** C11H19NO5
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2261>. | Cc1c(I)sc2nc[nH]c(=O)c12 | |
What is the building block token for the following molecule? | Cc1c(I)sc2nc[nH]c(=O)c12 | <BB_2261> |
What is the molecular formula for <BB_2261>? | The molecular formula for <BB_2261> (Cc1c(I)sc2nc[nH]c(=O)c12) is C7H5IN2OS. | |
Describe the ring structures in building block <BB_2261>. | 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_2261>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2261>. | **Token:** <BB_2261>
**SMILES:** Cc1c(I)sc2nc[nH]c(=O)c12
**Molecular Formula:** C7H5IN2OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2262>. | Cc1nccc2ccccc12 | |
What is the building block token for the following molecule? | Cc1nccc2ccccc12 | <BB_2262> |
What is the molecular formula for <BB_2262>? | The molecular formula for <BB_2262> (Cc1nccc2ccccc12) is C10H9N. | |
Describe the ring structures in building block <BB_2262>. | 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_2262>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2262>. | **Token:** <BB_2262>
**SMILES:** Cc1nccc2ccccc12
**Molecular Formula:** C10H9N
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2263>. | Cl.NCCC1CCC(=O)O1 | |
What is the building block token for the following molecule? | Cl.NCCC1CCC(=O)O1 | <BB_2263> |
What is the molecular formula for <BB_2263>? | The molecular formula for <BB_2263> (Cl.NCCC1CCC(=O)O1) is C6H12ClNO2. | |
Describe the ring structures in building block <BB_2263>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2263>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2263>. | **Token:** <BB_2263>
**SMILES:** Cl.NCCC1CCC(=O)O1
**Molecular Formula:** C6H12ClNO2
**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_2264>. | C[C@@H]1C[C@H](CS(=O)(=O)Cl)C[C@H](C)O1 | |
What is the building block token for the following molecule? | C[C@@H]1C[C@H](CS(=O)(=O)Cl)C[C@H](C)O1 | <BB_2264> |
What is the molecular formula for <BB_2264>? | The molecular formula for <BB_2264> (C[C@@H]1C[C@H](CS(=O)(=O)Cl)C[C@H](C)O1) is C8H15ClO3S. | |
Describe the ring structures in building block <BB_2264>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2264>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2264>. | **Token:** <BB_2264>
**SMILES:** C[C@@H]1C[C@H](CS(=O)(=O)Cl)C[C@H](C)O1
**Molecular Formula:** C8H15ClO3S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2265>. | Cl.O=c1[nH]ccnc1NCCN1CCOCC1 | |
What is the building block token for the following molecule? | Cl.O=c1[nH]ccnc1NCCN1CCOCC1 | <BB_2265> |
What is the molecular formula for <BB_2265>? | The molecular formula for <BB_2265> (Cl.O=c1[nH]ccnc1NCCN1CCOCC1) is C10H17ClN4O2. | |
Describe the ring structures in building block <BB_2265>. | 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_2265>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2265>. | **Token:** <BB_2265>
**SMILES:** Cl.O=c1[nH]ccnc1NCCN1CCOCC1
**Molecular Formula:** C10H17ClN4O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2266>. | COc1ccc(C=O)cc1CO | |
What is the building block token for the following molecule? | COc1ccc(C=O)cc1CO | <BB_2266> |
What is the molecular formula for <BB_2266>? | The molecular formula for <BB_2266> (COc1ccc(C=O)cc1CO) is C9H10O3. | |
Describe the ring structures in building block <BB_2266>. | The molecule contains 1 ring(s): an aromatic ring of size 6. |
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