instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_9666>. | The molecule contains the following groups: Tertiary Amine, Ester, Ether, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9666>. | **Token:** <BB_9666>
**SMILES:** COC(=O)/C=C/[N+](=O)[O-]
**Molecular Formula:** C4H5NO4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Tertiary Amine, Ester, Ether, Nitro | |
Provide the SMILES representation for the building block token <BB_9667>. | COC(=O)C1CC2C=CC1O2 | |
What is the building block token for the following molecule? | COC(=O)C1CC2C=CC1O2 | <BB_9667> |
What is the molecular formula for <BB_9667>? | The molecular formula for <BB_9667> (COC(=O)C1CC2C=CC1O2) is C8H10O3. | |
Describe the ring structures in building block <BB_9667>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9667>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9667>. | **Token:** <BB_9667>
**SMILES:** COC(=O)C1CC2C=CC1O2
**Molecular Formula:** C8H10O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_9668>. | CNC(C(=O)OC)C1CCOCC1.Cl | |
What is the building block token for the following molecule? | CNC(C(=O)OC)C1CCOCC1.Cl | <BB_9668> |
What is the molecular formula for <BB_9668>? | The molecular formula for <BB_9668> (CNC(C(=O)OC)C1CCOCC1.Cl) is C9H18ClNO3. | |
Describe the ring structures in building block <BB_9668>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9668>. | 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_9668>. | **Token:** <BB_9668>
**SMILES:** CNC(C(=O)OC)C1CCOCC1.Cl
**Molecular Formula:** C9H18ClNO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9669>. | N#CC1(c2ccc(O)cc2)CCCCC1 | |
What is the building block token for the following molecule? | N#CC1(c2ccc(O)cc2)CCCCC1 | <BB_9669> |
What is the molecular formula for <BB_9669>? | The molecular formula for <BB_9669> (N#CC1(c2ccc(O)cc2)CCCCC1) is C13H15NO. | |
Describe the ring structures in building block <BB_9669>. | 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_9669>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9669>. | **Token:** <BB_9669>
**SMILES:** N#CC1(c2ccc(O)cc2)CCCCC1
**Molecular Formula:** C13H15NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_9670>. | CC(=O)c1cccc(NC(=O)N2CCOCC2)c1 | |
What is the building block token for the following molecule? | CC(=O)c1cccc(NC(=O)N2CCOCC2)c1 | <BB_9670> |
What is the molecular formula for <BB_9670>? | The molecular formula for <BB_9670> (CC(=O)c1cccc(NC(=O)N2CCOCC2)c1) is C13H16N2O3. | |
Describe the ring structures in building block <BB_9670>. | 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_9670>. | The molecule contains the following groups: Amide, Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9670>. | **Token:** <BB_9670>
**SMILES:** CC(=O)c1cccc(NC(=O)N2CCOCC2)c1
**Molecular Formula:** C13H16N2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amide, Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_9671>. | Cl.Cl.Fc1cccc(N2CCCNCC2)c1F | |
What is the building block token for the following molecule? | Cl.Cl.Fc1cccc(N2CCCNCC2)c1F | <BB_9671> |
What is the molecular formula for <BB_9671>? | The molecular formula for <BB_9671> (Cl.Cl.Fc1cccc(N2CCCNCC2)c1F) is C11H16Cl2F2N2. | |
Describe the ring structures in building block <BB_9671>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_9671>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9671>. | **Token:** <BB_9671>
**SMILES:** Cl.Cl.Fc1cccc(N2CCCNCC2)c1F
**Molecular Formula:** C11H16Cl2F2N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 7.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9672>. | COC(=O)C(N)C(C)C.Cl | |
What is the building block token for the following molecule? | COC(=O)C(N)C(C)C.Cl | <BB_9672> |
What is the molecular formula for <BB_9672>? | The molecular formula for <BB_9672> (COC(=O)C(N)C(C)C.Cl) is C6H14ClNO2. | |
Describe the ring structures in building block <BB_9672>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9672>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9672>. | **Token:** <BB_9672>
**SMILES:** COC(=O)C(N)C(C)C.Cl
**Molecular Formula:** C6H14ClNO2
**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_9673>. | CC(C)n1cc(Br)c(C(=O)O)n1 | |
What is the building block token for the following molecule? | CC(C)n1cc(Br)c(C(=O)O)n1 | <BB_9673> |
What is the molecular formula for <BB_9673>? | The molecular formula for <BB_9673> (CC(C)n1cc(Br)c(C(=O)O)n1) is C7H9BrN2O2. | |
Describe the ring structures in building block <BB_9673>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9673>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9673>. | **Token:** <BB_9673>
**SMILES:** CC(C)n1cc(Br)c(C(=O)O)n1
**Molecular Formula:** C7H9BrN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9674>. | CCOC1(C(=O)NN)CCOC1 | |
What is the building block token for the following molecule? | CCOC1(C(=O)NN)CCOC1 | <BB_9674> |
What is the molecular formula for <BB_9674>? | The molecular formula for <BB_9674> (CCOC1(C(=O)NN)CCOC1) is C7H14N2O3. | |
Describe the ring structures in building block <BB_9674>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9674>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9674>. | **Token:** <BB_9674>
**SMILES:** CCOC1(C(=O)NN)CCOC1
**Molecular Formula:** C7H14N2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9675>. | Cl.Cl.NC1CNCC1(F)F | |
What is the building block token for the following molecule? | Cl.Cl.NC1CNCC1(F)F | <BB_9675> |
What is the molecular formula for <BB_9675>? | The molecular formula for <BB_9675> (Cl.Cl.NC1CNCC1(F)F) is C4H10Cl2F2N2. | |
Describe the ring structures in building block <BB_9675>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9675>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9675>. | **Token:** <BB_9675>
**SMILES:** Cl.Cl.NC1CNCC1(F)F
**Molecular Formula:** C4H10Cl2F2N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9676>. | Nc1ccc(OCC2CCC2)cc1 | |
What is the building block token for the following molecule? | Nc1ccc(OCC2CCC2)cc1 | <BB_9676> |
What is the molecular formula for <BB_9676>? | The molecular formula for <BB_9676> (Nc1ccc(OCC2CCC2)cc1) is C11H15NO. | |
Describe the ring structures in building block <BB_9676>. | 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_9676>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9676>. | **Token:** <BB_9676>
**SMILES:** Nc1ccc(OCC2CCC2)cc1
**Molecular Formula:** C11H15NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9677>. | Cc1ccc(S/C=C\C(=O)O)cc1 | |
What is the building block token for the following molecule? | Cc1ccc(S/C=C\C(=O)O)cc1 | <BB_9677> |
What is the molecular formula for <BB_9677>? | The molecular formula for <BB_9677> (Cc1ccc(S/C=C\C(=O)O)cc1) is C10H10O2S. | |
Describe the ring structures in building block <BB_9677>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9677>. | The molecule contains the following groups: Carboxylic Acid, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_9677>. | **Token:** <BB_9677>
**SMILES:** Cc1ccc(S/C=C\C(=O)O)cc1
**Molecular Formula:** C10H10O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Sulfide | |
Provide the SMILES representation for the building block token <BB_9678>. | Cl.O=C(O)c1ccc(CN2CCCC2)cc1 | |
What is the building block token for the following molecule? | Cl.O=C(O)c1ccc(CN2CCCC2)cc1 | <BB_9678> |
What is the molecular formula for <BB_9678>? | The molecular formula for <BB_9678> (Cl.O=C(O)c1ccc(CN2CCCC2)cc1) is C12H16ClNO2. | |
Describe the ring structures in building block <BB_9678>. | 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_9678>. | 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_9678>. | **Token:** <BB_9678>
**SMILES:** Cl.O=C(O)c1ccc(CN2CCCC2)cc1
**Molecular Formula:** C12H16ClNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, 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_9679>. | COc1cc(C)cc(OC)c1 | |
What is the building block token for the following molecule? | COc1cc(C)cc(OC)c1 | <BB_9679> |
What is the molecular formula for <BB_9679>? | The molecular formula for <BB_9679> (COc1cc(C)cc(OC)c1) is C9H12O2. | |
Describe the ring structures in building block <BB_9679>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9679>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9679>. | **Token:** <BB_9679>
**SMILES:** COc1cc(C)cc(OC)c1
**Molecular Formula:** C9H12O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_9680>. | Cc1cc(N)nn1Cn1nc(C(F)(F)F)cc1C | |
What is the building block token for the following molecule? | Cc1cc(N)nn1Cn1nc(C(F)(F)F)cc1C | <BB_9680> |
What is the molecular formula for <BB_9680>? | The molecular formula for <BB_9680> (Cc1cc(N)nn1Cn1nc(C(F)(F)F)cc1C) is C10H12F3N5. | |
Describe the ring structures in building block <BB_9680>. | 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_9680>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9680>. | **Token:** <BB_9680>
**SMILES:** Cc1cc(N)nn1Cn1nc(C(F)(F)F)cc1C
**Molecular Formula:** C10H12F3N5
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9681>. | Cc1ncccc1O | |
What is the building block token for the following molecule? | Cc1ncccc1O | <BB_9681> |
What is the molecular formula for <BB_9681>? | The molecular formula for <BB_9681> (Cc1ncccc1O) is C6H7NO. | |
Describe the ring structures in building block <BB_9681>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9681>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9681>. | **Token:** <BB_9681>
**SMILES:** Cc1ncccc1O
**Molecular Formula:** C6H7NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9682>. | CCC1Cn2cc(Br)cc2C(=O)N1 | |
What is the building block token for the following molecule? | CCC1Cn2cc(Br)cc2C(=O)N1 | <BB_9682> |
What is the molecular formula for <BB_9682>? | The molecular formula for <BB_9682> (CCC1Cn2cc(Br)cc2C(=O)N1) is C9H11BrN2O. | |
Describe the ring structures in building block <BB_9682>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9682>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9682>. | **Token:** <BB_9682>
**SMILES:** CCC1Cn2cc(Br)cc2C(=O)N1
**Molecular Formula:** C9H11BrN2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9683>. | CC(C)(C)OC(=O)N1C2C(CC[C@H]1CN)C2(F)F | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1C2C(CC[C@H]1CN)C2(F)F | <BB_9683> |
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