instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_1016>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1016>. | **Token:** <BB_1016>
**SMILES:** CC(C)N1CCC(=O)NC1=O
**Molecular Formula:** C7H12N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_1017>. | CC(CN)CN1CCOC1=O.O=C(O)C(F)(F)F | |
What is the building block token for the following molecule? | CC(CN)CN1CCOC1=O.O=C(O)C(F)(F)F | <BB_1017> |
What is the molecular formula for <BB_1017>? | The molecular formula for <BB_1017> (CC(CN)CN1CCOC1=O.O=C(O)C(F)(F)F) is C9H15F3N2O4. | |
Describe the ring structures in building block <BB_1017>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1017>. | The molecule contains the following groups: Carboxylic Acid, Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1017>. | **Token:** <BB_1017>
**SMILES:** CC(CN)CN1CCOC1=O.O=C(O)C(F)(F)F
**Molecular Formula:** C9H15F3N2O4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1018>. | COC(=O)c1cc(OC)ccc1CBr | |
What is the building block token for the following molecule? | COC(=O)c1cc(OC)ccc1CBr | <BB_1018> |
What is the molecular formula for <BB_1018>? | The molecular formula for <BB_1018> (COC(=O)c1cc(OC)ccc1CBr) is C10H11BrO3. | |
Describe the ring structures in building block <BB_1018>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1018>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1018>. | **Token:** <BB_1018>
**SMILES:** COC(=O)c1cc(OC)ccc1CBr
**Molecular Formula:** C10H11BrO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1019>. | CNCCc1ccc(O)c(Br)c1.Cl | |
What is the building block token for the following molecule? | CNCCc1ccc(O)c(Br)c1.Cl | <BB_1019> |
What is the molecular formula for <BB_1019>? | The molecular formula for <BB_1019> (CNCCc1ccc(O)c(Br)c1.Cl) is C9H13BrClNO. | |
Describe the ring structures in building block <BB_1019>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1019>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1019>. | **Token:** <BB_1019>
**SMILES:** CNCCc1ccc(O)c(Br)c1.Cl
**Molecular Formula:** C9H13BrClNO
**Ring System:** The molecule contains 1 ring(s): 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_1020>. | O=C1CCC2(CC1)N=N2 | |
What is the building block token for the following molecule? | O=C1CCC2(CC1)N=N2 | <BB_1020> |
What is the molecular formula for <BB_1020>? | The molecular formula for <BB_1020> (O=C1CCC2(CC1)N=N2) is C6H8N2O. | |
Describe the ring structures in building block <BB_1020>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1020>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_1020>. | **Token:** <BB_1020>
**SMILES:** O=C1CCC2(CC1)N=N2
**Molecular Formula:** C6H8N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_1021>. | O=c1ccn(-c2cccc(Br)c2)[nH]1 | |
What is the building block token for the following molecule? | O=c1ccn(-c2cccc(Br)c2)[nH]1 | <BB_1021> |
What is the molecular formula for <BB_1021>? | The molecular formula for <BB_1021> (O=c1ccn(-c2cccc(Br)c2)[nH]1) is C9H7BrN2O. | |
Describe the ring structures in building block <BB_1021>. | 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_1021>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1021>. | **Token:** <BB_1021>
**SMILES:** O=c1ccn(-c2cccc(Br)c2)[nH]1
**Molecular Formula:** C9H7BrN2O
**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_1022>. | Cl.NCCCSC(F)F | |
What is the building block token for the following molecule? | Cl.NCCCSC(F)F | <BB_1022> |
What is the molecular formula for <BB_1022>? | The molecular formula for <BB_1022> (Cl.NCCCSC(F)F) is C4H10ClF2NS. | |
Describe the ring structures in building block <BB_1022>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1022>. | The molecule contains the following groups: Amine, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1022>. | **Token:** <BB_1022>
**SMILES:** Cl.NCCCSC(F)F
**Molecular Formula:** C4H10ClF2NS
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1023>. | C[C@@H]1CC[C@H](CCCN)O1 | |
What is the building block token for the following molecule? | C[C@@H]1CC[C@H](CCCN)O1 | <BB_1023> |
What is the molecular formula for <BB_1023>? | The molecular formula for <BB_1023> (C[C@@H]1CC[C@H](CCCN)O1) is C8H17NO. | |
Describe the ring structures in building block <BB_1023>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1023>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1023>. | **Token:** <BB_1023>
**SMILES:** C[C@@H]1CC[C@H](CCCN)O1
**Molecular Formula:** C8H17NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1024>. | COc1cccc(-c2nc(CC(=O)[O-])cs2)c1.[Na+] | |
What is the building block token for the following molecule? | COc1cccc(-c2nc(CC(=O)[O-])cs2)c1.[Na+] | <BB_1024> |
What is the molecular formula for <BB_1024>? | The molecular formula for <BB_1024> (COc1cccc(-c2nc(CC(=O)[O-])cs2)c1.[Na+]) is C12H10NNaO3S. | |
Describe the ring structures in building block <BB_1024>. | 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_1024>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1024>. | **Token:** <BB_1024>
**SMILES:** COc1cccc(-c2nc(CC(=O)[O-])cs2)c1.[Na+]
**Molecular Formula:** C12H10NNaO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_1025>. | CCC(NC(C)=O)C(=O)O | |
What is the building block token for the following molecule? | CCC(NC(C)=O)C(=O)O | <BB_1025> |
What is the molecular formula for <BB_1025>? | The molecular formula for <BB_1025> (CCC(NC(C)=O)C(=O)O) is C6H11NO3. | |
Describe the ring structures in building block <BB_1025>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1025>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1025>. | **Token:** <BB_1025>
**SMILES:** CCC(NC(C)=O)C(=O)O
**Molecular Formula:** C6H11NO3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_1026>. | O=C(O)C1C[C@]2(c3cccc(C(F)(F)F)c3)C[C@H]1C2 | |
What is the building block token for the following molecule? | O=C(O)C1C[C@]2(c3cccc(C(F)(F)F)c3)C[C@H]1C2 | <BB_1026> |
What is the molecular formula for <BB_1026>? | The molecular formula for <BB_1026> (O=C(O)C1C[C@]2(c3cccc(C(F)(F)F)c3)C[C@H]1C2) is C14H13F3O2. | |
Describe the ring structures in building block <BB_1026>. | The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1026>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1026>. | **Token:** <BB_1026>
**SMILES:** O=C(O)C1C[C@]2(c3cccc(C(F)(F)F)c3)C[C@H]1C2
**Molecular Formula:** C14H13F3O2
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1027>. | O=C(O)c1nc(F)ccc1Br | |
What is the building block token for the following molecule? | O=C(O)c1nc(F)ccc1Br | <BB_1027> |
What is the molecular formula for <BB_1027>? | The molecular formula for <BB_1027> (O=C(O)c1nc(F)ccc1Br) is C6H3BrFNO2. | |
Describe the ring structures in building block <BB_1027>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1027>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1027>. | **Token:** <BB_1027>
**SMILES:** O=C(O)c1nc(F)ccc1Br
**Molecular Formula:** C6H3BrFNO2
**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_1028>. | C1CCC(c2nc(C3CNCCO3)no2)C1.Cl | |
What is the building block token for the following molecule? | C1CCC(c2nc(C3CNCCO3)no2)C1.Cl | <BB_1028> |
What is the molecular formula for <BB_1028>? | The molecular formula for <BB_1028> (C1CCC(c2nc(C3CNCCO3)no2)C1.Cl) is C11H18ClN3O2. | |
Describe the ring structures in building block <BB_1028>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1028>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1028>. | **Token:** <BB_1028>
**SMILES:** C1CCC(c2nc(C3CNCCO3)no2)C1.Cl
**Molecular Formula:** C11H18ClN3O2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1029>. | O=c1c(Cl)c(Cl)cnn1C1CCS(=O)(=O)C1 | |
What is the building block token for the following molecule? | O=c1c(Cl)c(Cl)cnn1C1CCS(=O)(=O)C1 | <BB_1029> |
What is the molecular formula for <BB_1029>? | The molecular formula for <BB_1029> (O=c1c(Cl)c(Cl)cnn1C1CCS(=O)(=O)C1) is C8H8Cl2N2O3S. | |
Describe the ring structures in building block <BB_1029>. | 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_1029>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1029>. | **Token:** <BB_1029>
**SMILES:** O=c1c(Cl)c(Cl)cnn1C1CCS(=O)(=O)C1
**Molecular Formula:** C8H8Cl2N2O3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1030>. | Cc1cc(NC(=O)CCl)n(-c2ccccc2F)n1 | |
What is the building block token for the following molecule? | Cc1cc(NC(=O)CCl)n(-c2ccccc2F)n1 | <BB_1030> |
What is the molecular formula for <BB_1030>? | The molecular formula for <BB_1030> (Cc1cc(NC(=O)CCl)n(-c2ccccc2F)n1) is C12H11ClFN3O. | |
Describe the ring structures in building block <BB_1030>. | 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_1030>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1030>. | **Token:** <BB_1030>
**SMILES:** Cc1cc(NC(=O)CCl)n(-c2ccccc2F)n1
**Molecular Formula:** C12H11ClFN3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1031>. | COC(=O)C(N)c1ccc2c(c1)OCCO2.Cl | |
What is the building block token for the following molecule? | COC(=O)C(N)c1ccc2c(c1)OCCO2.Cl | <BB_1031> |
What is the molecular formula for <BB_1031>? | The molecular formula for <BB_1031> (COC(=O)C(N)c1ccc2c(c1)OCCO2.Cl) is C11H14ClNO4. | |
Describe the ring structures in building block <BB_1031>. | 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_1031>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1031>. | **Token:** <BB_1031>
**SMILES:** COC(=O)C(N)c1ccc2c(c1)OCCO2.Cl
**Molecular Formula:** C11H14ClNO4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1032>. | CCOC(=O)C(F)(Br)C1CCC1 | |
What is the building block token for the following molecule? | CCOC(=O)C(F)(Br)C1CCC1 | <BB_1032> |
What is the molecular formula for <BB_1032>? | The molecular formula for <BB_1032> (CCOC(=O)C(F)(Br)C1CCC1) is C8H12BrFO2. | |
Describe the ring structures in building block <BB_1032>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1032>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1032>. | **Token:** <BB_1032>
**SMILES:** CCOC(=O)C(F)(Br)C1CCC1
**Molecular Formula:** C8H12BrFO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1033>. | CCOC(C)CN.Cl | |
What is the building block token for the following molecule? | CCOC(C)CN.Cl | <BB_1033> |
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