instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_3183>? | The molecular formula for <BB_3183> (O=C(O)Cc1ccsc1) is C6H6O2S. | |
Describe the ring structures in building block <BB_3183>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3183>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_3183>. | **Token:** <BB_3183>
**SMILES:** O=C(O)Cc1ccsc1
**Molecular Formula:** C6H6O2S
**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_3184>. | CSC1(SC)C(=O)NC12CCOCC2 | |
What is the building block token for the following molecule? | CSC1(SC)C(=O)NC12CCOCC2 | <BB_3184> |
What is the molecular formula for <BB_3184>? | The molecular formula for <BB_3184> (CSC1(SC)C(=O)NC12CCOCC2) is C9H15NO2S2. | |
Describe the ring structures in building block <BB_3184>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_3184>. | The molecule contains the following groups: Amide, Ether, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_3184>. | **Token:** <BB_3184>
**SMILES:** CSC1(SC)C(=O)NC12CCOCC2
**Molecular Formula:** C9H15NO2S2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6.
**Functional Groups:** Amide, Ether, Sulfide | |
Provide the SMILES representation for the building block token <BB_3185>. | Cl.FC1CNCC1(F)F | |
What is the building block token for the following molecule? | Cl.FC1CNCC1(F)F | <BB_3185> |
What is the molecular formula for <BB_3185>? | The molecular formula for <BB_3185> (Cl.FC1CNCC1(F)F) is C4H7ClF3N. | |
Describe the ring structures in building block <BB_3185>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_3185>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3185>. | **Token:** <BB_3185>
**SMILES:** Cl.FC1CNCC1(F)F
**Molecular Formula:** C4H7ClF3N
**Ring System:** The molecule contains 1 ring(s): 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_3186>. | CC(C)(C)OC(=O)NCc1ccc(CN)cc1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NCc1ccc(CN)cc1 | <BB_3186> |
What is the molecular formula for <BB_3186>? | The molecular formula for <BB_3186> (CC(C)(C)OC(=O)NCc1ccc(CN)cc1) is C13H20N2O2. | |
Describe the ring structures in building block <BB_3186>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3186>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3186>. | **Token:** <BB_3186>
**SMILES:** CC(C)(C)OC(=O)NCc1ccc(CN)cc1
**Molecular Formula:** C13H20N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_3187>. | Cn1ccc(C(=O)O)c1C1CCC1 | |
What is the building block token for the following molecule? | Cn1ccc(C(=O)O)c1C1CCC1 | <BB_3187> |
What is the molecular formula for <BB_3187>? | The molecular formula for <BB_3187> (Cn1ccc(C(=O)O)c1C1CCC1) is C10H13NO2. | |
Describe the ring structures in building block <BB_3187>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_3187>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_3187>. | **Token:** <BB_3187>
**SMILES:** Cn1ccc(C(=O)O)c1C1CCC1
**Molecular Formula:** C10H13NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_3188>. | Cl.NC(CF)c1ccc(F)cc1 | |
What is the building block token for the following molecule? | Cl.NC(CF)c1ccc(F)cc1 | <BB_3188> |
What is the molecular formula for <BB_3188>? | The molecular formula for <BB_3188> (Cl.NC(CF)c1ccc(F)cc1) is C8H10ClF2N. | |
Describe the ring structures in building block <BB_3188>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3188>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3188>. | **Token:** <BB_3188>
**SMILES:** Cl.NC(CF)c1ccc(F)cc1
**Molecular Formula:** C8H10ClF2N
**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_3189>. | [N-]=[N+]=NCc1cc(Br)cc2c1OCC2 | |
What is the building block token for the following molecule? | [N-]=[N+]=NCc1cc(Br)cc2c1OCC2 | <BB_3189> |
What is the molecular formula for <BB_3189>? | The molecular formula for <BB_3189> ([N-]=[N+]=NCc1cc(Br)cc2c1OCC2) is C9H8BrN3O. | |
Describe the ring structures in building block <BB_3189>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_3189>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3189>. | **Token:** <BB_3189>
**SMILES:** [N-]=[N+]=NCc1cc(Br)cc2c1OCC2
**Molecular Formula:** C9H8BrN3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3190>. | Cl.NC(c1ccc(F)cc1)C1CCOCC1 | |
What is the building block token for the following molecule? | Cl.NC(c1ccc(F)cc1)C1CCOCC1 | <BB_3190> |
What is the molecular formula for <BB_3190>? | The molecular formula for <BB_3190> (Cl.NC(c1ccc(F)cc1)C1CCOCC1) is C12H17ClFNO. | |
Describe the ring structures in building block <BB_3190>. | 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_3190>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3190>. | **Token:** <BB_3190>
**SMILES:** Cl.NC(c1ccc(F)cc1)C1CCOCC1
**Molecular Formula:** C12H17ClFNO
**Ring System:** The molecule contains 2 ring(s): an aromatic 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_3191>. | CC1CNc2cc(Cl)ccc2O1 | |
What is the building block token for the following molecule? | CC1CNc2cc(Cl)ccc2O1 | <BB_3191> |
What is the molecular formula for <BB_3191>? | The molecular formula for <BB_3191> (CC1CNc2cc(Cl)ccc2O1) is C9H10ClNO. | |
Describe the ring structures in building block <BB_3191>. | 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_3191>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3191>. | **Token:** <BB_3191>
**SMILES:** CC1CNc2cc(Cl)ccc2O1
**Molecular Formula:** C9H10ClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3192>. | Nc1cc(F)c(OC(F)F)cc1-n1cncn1 | |
What is the building block token for the following molecule? | Nc1cc(F)c(OC(F)F)cc1-n1cncn1 | <BB_3192> |
What is the molecular formula for <BB_3192>? | The molecular formula for <BB_3192> (Nc1cc(F)c(OC(F)F)cc1-n1cncn1) is C9H7F3N4O. | |
Describe the ring structures in building block <BB_3192>. | 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_3192>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3192>. | **Token:** <BB_3192>
**SMILES:** Nc1cc(F)c(OC(F)F)cc1-n1cncn1
**Molecular Formula:** C9H7F3N4O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3193>. | CC(C)(C)OC(=O)N1CCCCC1CO | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCCCC1CO | <BB_3193> |
What is the molecular formula for <BB_3193>? | The molecular formula for <BB_3193> (CC(C)(C)OC(=O)N1CCCCC1CO) is C11H21NO3. | |
Describe the ring structures in building block <BB_3193>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_3193>. | The molecule contains the following groups: Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3193>. | **Token:** <BB_3193>
**SMILES:** CC(C)(C)OC(=O)N1CCCCC1CO
**Molecular Formula:** C11H21NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_3194>. | C#CCNC1CCOc2ccc(Br)cc21 | |
What is the building block token for the following molecule? | C#CCNC1CCOc2ccc(Br)cc21 | <BB_3194> |
What is the molecular formula for <BB_3194>? | The molecular formula for <BB_3194> (C#CCNC1CCOc2ccc(Br)cc21) is C12H12BrNO. | |
Describe the ring structures in building block <BB_3194>. | 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_3194>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3194>. | **Token:** <BB_3194>
**SMILES:** C#CCNC1CCOc2ccc(Br)cc21
**Molecular Formula:** C12H12BrNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3195>. | O=Cc1csc(C(F)(F)F)n1 | |
What is the building block token for the following molecule? | O=Cc1csc(C(F)(F)F)n1 | <BB_3195> |
What is the molecular formula for <BB_3195>? | The molecular formula for <BB_3195> (O=Cc1csc(C(F)(F)F)n1) is C5H2F3NOS. | |
Describe the ring structures in building block <BB_3195>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3195>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3195>. | **Token:** <BB_3195>
**SMILES:** O=Cc1csc(C(F)(F)F)n1
**Molecular Formula:** C5H2F3NOS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3196>. | CSc1nnc(CN)s1 | |
What is the building block token for the following molecule? | CSc1nnc(CN)s1 | <BB_3196> |
What is the molecular formula for <BB_3196>? | The molecular formula for <BB_3196> (CSc1nnc(CN)s1) is C4H7N3S2. | |
Describe the ring structures in building block <BB_3196>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3196>. | The molecule contains the following groups: Amine, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_3196>. | **Token:** <BB_3196>
**SMILES:** CSc1nnc(CN)s1
**Molecular Formula:** C4H7N3S2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Sulfide | |
Provide the SMILES representation for the building block token <BB_3197>. | CC1(c2ccccc2)CCC1=O | |
What is the building block token for the following molecule? | CC1(c2ccccc2)CCC1=O | <BB_3197> |
What is the molecular formula for <BB_3197>? | The molecular formula for <BB_3197> (CC1(c2ccccc2)CCC1=O) is C11H12O. | |
Describe the ring structures in building block <BB_3197>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_3197>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_3197>. | **Token:** <BB_3197>
**SMILES:** CC1(c2ccccc2)CCC1=O
**Molecular Formula:** C11H12O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_3198>. | COC(=O)C(CN)C(F)(F)F.Cl | |
What is the building block token for the following molecule? | COC(=O)C(CN)C(F)(F)F.Cl | <BB_3198> |
What is the molecular formula for <BB_3198>? | The molecular formula for <BB_3198> (COC(=O)C(CN)C(F)(F)F.Cl) is C5H9ClF3NO2. | |
Describe the ring structures in building block <BB_3198>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_3198>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3198>. | **Token:** <BB_3198>
**SMILES:** COC(=O)C(CN)C(F)(F)F.Cl
**Molecular Formula:** C5H9ClF3NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3199>. | O=C(O)CCc1cnoc1 | |
What is the building block token for the following molecule? | O=C(O)CCc1cnoc1 | <BB_3199> |
What is the molecular formula for <BB_3199>? | The molecular formula for <BB_3199> (O=C(O)CCc1cnoc1) is C6H7NO3. | |
Describe the ring structures in building block <BB_3199>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3199>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_3199>. | **Token:** <BB_3199>
**SMILES:** O=C(O)CCc1cnoc1
**Molecular Formula:** C6H7NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid |
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