instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_9016>. | The molecule contains the following groups: Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9016>. | **Token:** <BB_9016>
**SMILES:** Nc1ccc2c(S(N)(=O)=O)cccc2c1
**Molecular Formula:** C10H10N2O2S
**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_9017>. | C=C(CO)c1ccc(Br)cc1 | |
What is the building block token for the following molecule? | C=C(CO)c1ccc(Br)cc1 | <BB_9017> |
What is the molecular formula for <BB_9017>? | The molecular formula for <BB_9017> (C=C(CO)c1ccc(Br)cc1) is C9H9BrO. | |
Describe the ring structures in building block <BB_9017>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9017>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9017>. | **Token:** <BB_9017>
**SMILES:** C=C(CO)c1ccc(Br)cc1
**Molecular Formula:** C9H9BrO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9018>. | O=c1[nH]ccc2occc12 | |
What is the building block token for the following molecule? | O=c1[nH]ccc2occc12 | <BB_9018> |
What is the molecular formula for <BB_9018>? | The molecular formula for <BB_9018> (O=c1[nH]ccc2occc12) is C7H5NO2. | |
Describe the ring structures in building block <BB_9018>. | 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_9018>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9018>. | **Token:** <BB_9018>
**SMILES:** O=c1[nH]ccc2occc12
**Molecular Formula:** C7H5NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9019>. | CC(C)(C)OC(=O)CCC1(N)CCC1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)CCC1(N)CCC1 | <BB_9019> |
What is the molecular formula for <BB_9019>? | The molecular formula for <BB_9019> (CC(C)(C)OC(=O)CCC1(N)CCC1) is C11H21NO2. | |
Describe the ring structures in building block <BB_9019>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9019>. | The molecule contains the following groups: Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9019>. | **Token:** <BB_9019>
**SMILES:** CC(C)(C)OC(=O)CCC1(N)CCC1
**Molecular Formula:** C11H21NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_9020>. | COCCCC(N)C(=O)N(C)C.Cl | |
What is the building block token for the following molecule? | COCCCC(N)C(=O)N(C)C.Cl | <BB_9020> |
What is the molecular formula for <BB_9020>? | The molecular formula for <BB_9020> (COCCCC(N)C(=O)N(C)C.Cl) is C8H19ClN2O2. | |
Describe the ring structures in building block <BB_9020>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9020>. | The molecule contains the following groups: Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9020>. | **Token:** <BB_9020>
**SMILES:** COCCCC(N)C(=O)N(C)C.Cl
**Molecular Formula:** C8H19ClN2O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9021>. | Cl.N#Cc1ccccc1CNC1CCCC1 | |
What is the building block token for the following molecule? | Cl.N#Cc1ccccc1CNC1CCCC1 | <BB_9021> |
What is the molecular formula for <BB_9021>? | The molecular formula for <BB_9021> (Cl.N#Cc1ccccc1CNC1CCCC1) is C13H17ClN2. | |
Describe the ring structures in building block <BB_9021>. | 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_9021>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9021>. | **Token:** <BB_9021>
**SMILES:** Cl.N#Cc1ccccc1CNC1CCCC1
**Molecular Formula:** C13H17ClN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_9022>. | CCN1CCc2c(Cl)cccc2C1C | |
What is the building block token for the following molecule? | CCN1CCc2c(Cl)cccc2C1C | <BB_9022> |
What is the molecular formula for <BB_9022>? | The molecular formula for <BB_9022> (CCN1CCc2c(Cl)cccc2C1C) is C12H16ClN. | |
Describe the ring structures in building block <BB_9022>. | 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_9022>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9022>. | **Token:** <BB_9022>
**SMILES:** CCN1CCc2c(Cl)cccc2C1C
**Molecular Formula:** C12H16ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9023>. | O=C(Cl)CCN1C(=O)C=CC1=O | |
What is the building block token for the following molecule? | O=C(Cl)CCN1C(=O)C=CC1=O | <BB_9023> |
What is the molecular formula for <BB_9023>? | The molecular formula for <BB_9023> (O=C(Cl)CCN1C(=O)C=CC1=O) is C7H6ClNO3. | |
Describe the ring structures in building block <BB_9023>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9023>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9023>. | **Token:** <BB_9023>
**SMILES:** O=C(Cl)CCN1C(=O)C=CC1=O
**Molecular Formula:** C7H6ClNO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9024>. | O=C(O)c1cnc2[nH]c(=O)[nH]c2n1 | |
What is the building block token for the following molecule? | O=C(O)c1cnc2[nH]c(=O)[nH]c2n1 | <BB_9024> |
What is the molecular formula for <BB_9024>? | The molecular formula for <BB_9024> (O=C(O)c1cnc2[nH]c(=O)[nH]c2n1) is C6H4N4O3. | |
Describe the ring structures in building block <BB_9024>. | 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_9024>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_9024>. | **Token:** <BB_9024>
**SMILES:** O=C(O)c1cnc2[nH]c(=O)[nH]c2n1
**Molecular Formula:** C6H4N4O3
**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_9025>. | FC(F)(F)C1NCCOc2ccccc21 | |
What is the building block token for the following molecule? | FC(F)(F)C1NCCOc2ccccc21 | <BB_9025> |
What is the molecular formula for <BB_9025>? | The molecular formula for <BB_9025> (FC(F)(F)C1NCCOc2ccccc21) is C10H10F3NO. | |
Describe the ring structures in building block <BB_9025>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9025>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9025>. | **Token:** <BB_9025>
**SMILES:** FC(F)(F)C1NCCOc2ccccc21
**Molecular Formula:** C10H10F3NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, 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_9026>. | CC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 | |
What is the building block token for the following molecule? | CC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 | <BB_9026> |
What is the molecular formula for <BB_9026>? | The molecular formula for <BB_9026> (CC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1) is C11H19NO4. | |
Describe the ring structures in building block <BB_9026>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9026>. | The molecule contains the following groups: Amide, Ketone, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9026>. | **Token:** <BB_9026>
**SMILES:** CC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1
**Molecular Formula:** C11H19NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amide, Ketone, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_9027>. | NCc1ccc(S(=O)(=O)c2cccc(Cl)c2)cc1 | |
What is the building block token for the following molecule? | NCc1ccc(S(=O)(=O)c2cccc(Cl)c2)cc1 | <BB_9027> |
What is the molecular formula for <BB_9027>? | The molecular formula for <BB_9027> (NCc1ccc(S(=O)(=O)c2cccc(Cl)c2)cc1) is C13H12ClNO2S. | |
Describe the ring structures in building block <BB_9027>. | 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_9027>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9027>. | **Token:** <BB_9027>
**SMILES:** NCc1ccc(S(=O)(=O)c2cccc(Cl)c2)cc1
**Molecular Formula:** C13H12ClNO2S
**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_9028>. | Cc1n[nH]c(C)c1CC(C)N | |
What is the building block token for the following molecule? | Cc1n[nH]c(C)c1CC(C)N | <BB_9028> |
What is the molecular formula for <BB_9028>? | The molecular formula for <BB_9028> (Cc1n[nH]c(C)c1CC(C)N) is C8H15N3. | |
Describe the ring structures in building block <BB_9028>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9028>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9028>. | **Token:** <BB_9028>
**SMILES:** Cc1n[nH]c(C)c1CC(C)N
**Molecular Formula:** C8H15N3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9029>. | CC(C)(C)OC(=O)N1CC=CC(C(=O)O)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC=CC(C(=O)O)C1 | <BB_9029> |
What is the molecular formula for <BB_9029>? | The molecular formula for <BB_9029> (CC(C)(C)OC(=O)N1CC=CC(C(=O)O)C1) is C11H17NO4. | |
Describe the ring structures in building block <BB_9029>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9029>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9029>. | **Token:** <BB_9029>
**SMILES:** CC(C)(C)OC(=O)N1CC=CC(C(=O)O)C1
**Molecular Formula:** C11H17NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9030>. | COC(=O)c1cc2c(s1)CNC2.Cl | |
What is the building block token for the following molecule? | COC(=O)c1cc2c(s1)CNC2.Cl | <BB_9030> |
What is the molecular formula for <BB_9030>? | The molecular formula for <BB_9030> (COC(=O)c1cc2c(s1)CNC2.Cl) is C8H10ClNO2S. | |
Describe the ring structures in building block <BB_9030>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9030>. | The molecule contains the following groups: Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9030>. | **Token:** <BB_9030>
**SMILES:** COC(=O)c1cc2c(s1)CNC2.Cl
**Molecular Formula:** C8H10ClNO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9031>. | Cc1occc1-c1cc(N)n(CCO)n1 | |
What is the building block token for the following molecule? | Cc1occc1-c1cc(N)n(CCO)n1 | <BB_9031> |
What is the molecular formula for <BB_9031>? | The molecular formula for <BB_9031> (Cc1occc1-c1cc(N)n(CCO)n1) is C10H13N3O2. | |
Describe the ring structures in building block <BB_9031>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9031>. | The molecule contains the following groups: Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9031>. | **Token:** <BB_9031>
**SMILES:** Cc1occc1-c1cc(N)n(CCO)n1
**Molecular Formula:** C10H13N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_9032>. | Cl.NCCNC(=O)c1ccc(-c2ccccc2)cc1 | |
What is the building block token for the following molecule? | Cl.NCCNC(=O)c1ccc(-c2ccccc2)cc1 | <BB_9032> |
What is the molecular formula for <BB_9032>? | The molecular formula for <BB_9032> (Cl.NCCNC(=O)c1ccc(-c2ccccc2)cc1) is C15H17ClN2O. | |
Describe the ring structures in building block <BB_9032>. | 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_9032>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9032>. | **Token:** <BB_9032>
**SMILES:** Cl.NCCNC(=O)c1ccc(-c2ccccc2)cc1
**Molecular Formula:** C15H17ClN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9033>. | O=Cc1c(F)c(Br)cc(Br)c1F | |
What is the building block token for the following molecule? | O=Cc1c(F)c(Br)cc(Br)c1F | <BB_9033> |
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