instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_50>. | CC(C)(C)OC(=O)N1CCC(CN)CC12CCC2 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC(CN)CC12CCC2 | <BB_50> |
What is the molecular formula for <BB_50>? | The molecular formula for <BB_50> (CC(C)(C)OC(=O)N1CCC(CN)CC12CCC2) is C14H26N2O2. | |
Describe the ring structures in building block <BB_50>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_50>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_50>. | **Token:** <BB_50>
**SMILES:** CC(C)(C)OC(=O)N1CCC(CN)CC12CCC2
**Molecular Formula:** C14H26N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_51>. | Clc1ccc2ncc(I)n2n1 | |
What is the building block token for the following molecule? | Clc1ccc2ncc(I)n2n1 | <BB_51> |
What is the molecular formula for <BB_51>? | The molecular formula for <BB_51> (Clc1ccc2ncc(I)n2n1) is C6H3ClIN3. | |
Describe the ring structures in building block <BB_51>. | 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_51>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_51>. | **Token:** <BB_51>
**SMILES:** Clc1ccc2ncc(I)n2n1
**Molecular Formula:** C6H3ClIN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_52>. | COc1cccc2c1CCCNC2=O | |
What is the building block token for the following molecule? | COc1cccc2c1CCCNC2=O | <BB_52> |
What is the molecular formula for <BB_52>? | The molecular formula for <BB_52> (COc1cccc2c1CCCNC2=O) is C11H13NO2. | |
Describe the ring structures in building block <BB_52>. | 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_52>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_52>. | **Token:** <BB_52>
**SMILES:** COc1cccc2c1CCCNC2=O
**Molecular Formula:** C11H13NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 7.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_53>. | CC(C)(C(=O)O)c1c(F)cccc1Cl | |
What is the building block token for the following molecule? | CC(C)(C(=O)O)c1c(F)cccc1Cl | <BB_53> |
What is the molecular formula for <BB_53>? | The molecular formula for <BB_53> (CC(C)(C(=O)O)c1c(F)cccc1Cl) is C10H10ClFO2. | |
Describe the ring structures in building block <BB_53>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_53>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_53>. | **Token:** <BB_53>
**SMILES:** CC(C)(C(=O)O)c1c(F)cccc1Cl
**Molecular Formula:** C10H10ClFO2
**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_54>. | CC(C)C[C@@H](N)C(=O)OC(C)(C)C.Cl | |
What is the building block token for the following molecule? | CC(C)C[C@@H](N)C(=O)OC(C)(C)C.Cl | <BB_54> |
What is the molecular formula for <BB_54>? | The molecular formula for <BB_54> (CC(C)C[C@@H](N)C(=O)OC(C)(C)C.Cl) is C10H22ClNO2. | |
Describe the ring structures in building block <BB_54>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_54>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_54>. | **Token:** <BB_54>
**SMILES:** CC(C)C[C@@H](N)C(=O)OC(C)(C)C.Cl
**Molecular Formula:** C10H22ClNO2
**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_55>. | Cc1cccnc1CCCN | |
What is the building block token for the following molecule? | Cc1cccnc1CCCN | <BB_55> |
What is the molecular formula for <BB_55>? | The molecular formula for <BB_55> (Cc1cccnc1CCCN) is C9H14N2. | |
Describe the ring structures in building block <BB_55>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_55>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_55>. | **Token:** <BB_55>
**SMILES:** Cc1cccnc1CCCN
**Molecular Formula:** C9H14N2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_56>. | CC1(C)CNCC2(CCCOC2)O1 | |
What is the building block token for the following molecule? | CC1(C)CNCC2(CCCOC2)O1 | <BB_56> |
What is the molecular formula for <BB_56>? | The molecular formula for <BB_56> (CC1(C)CNCC2(CCCOC2)O1) is C10H19NO2. | |
Describe the ring structures in building block <BB_56>. | 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_56>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_56>. | **Token:** <BB_56>
**SMILES:** CC1(C)CNCC2(CCCOC2)O1
**Molecular Formula:** C10H19NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_57>. | COC(=O)C1(C(=O)OC)CCN1C(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | COC(=O)C1(C(=O)OC)CCN1C(=O)OC(C)(C)C | <BB_57> |
What is the molecular formula for <BB_57>? | The molecular formula for <BB_57> (COC(=O)C1(C(=O)OC)CCN1C(=O)OC(C)(C)C) is C12H19NO6. | |
Describe the ring structures in building block <BB_57>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_57>. | The molecule contains the following groups: Amide, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_57>. | **Token:** <BB_57>
**SMILES:** COC(=O)C1(C(=O)OC)CCN1C(=O)OC(C)(C)C
**Molecular Formula:** C12H19NO6
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amide, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_58>. | O=C(O)c1cc(OCc2ccccc2)cs1 | |
What is the building block token for the following molecule? | O=C(O)c1cc(OCc2ccccc2)cs1 | <BB_58> |
What is the molecular formula for <BB_58>? | The molecular formula for <BB_58> (O=C(O)c1cc(OCc2ccccc2)cs1) is C12H10O3S. | |
Describe the ring structures in building block <BB_58>. | 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_58>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_58>. | **Token:** <BB_58>
**SMILES:** O=C(O)c1cc(OCc2ccccc2)cs1
**Molecular Formula:** C12H10O3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_59>. | COC(=O)c1cnc(OC)c(CN)c1.Cl | |
What is the building block token for the following molecule? | COC(=O)c1cnc(OC)c(CN)c1.Cl | <BB_59> |
What is the molecular formula for <BB_59>? | The molecular formula for <BB_59> (COC(=O)c1cnc(OC)c(CN)c1.Cl) is C9H13ClN2O3. | |
Describe the ring structures in building block <BB_59>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_59>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_59>. | **Token:** <BB_59>
**SMILES:** COC(=O)c1cnc(OC)c(CN)c1.Cl
**Molecular Formula:** C9H13ClN2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_60>. | CCOc1ccc(-n2nnc3cnc(Cl)nc32)cc1 | |
What is the building block token for the following molecule? | CCOc1ccc(-n2nnc3cnc(Cl)nc32)cc1 | <BB_60> |
What is the molecular formula for <BB_60>? | The molecular formula for <BB_60> (CCOc1ccc(-n2nnc3cnc(Cl)nc32)cc1) is C12H10ClN5O. | |
Describe the ring structures in building block <BB_60>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_60>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_60>. | **Token:** <BB_60>
**SMILES:** CCOc1ccc(-n2nnc3cnc(Cl)nc32)cc1
**Molecular Formula:** C12H10ClN5O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_61>. | CC12CC3(C)CC(C)(C1)CC(CN)(C2)C3.Cl | |
What is the building block token for the following molecule? | CC12CC3(C)CC(C)(C1)CC(CN)(C2)C3.Cl | <BB_61> |
What is the molecular formula for <BB_61>? | The molecular formula for <BB_61> (CC12CC3(C)CC(C)(C1)CC(CN)(C2)C3.Cl) is C14H26ClN. | |
Describe the ring structures in building block <BB_61>. | The molecule contains 4 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_61>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_61>. | **Token:** <BB_61>
**SMILES:** CC12CC3(C)CC(C)(C1)CC(CN)(C2)C3.Cl
**Molecular Formula:** C14H26ClN
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_62>. | O=Cc1cc(C(F)(F)F)c(F)cc1Br | |
What is the building block token for the following molecule? | O=Cc1cc(C(F)(F)F)c(F)cc1Br | <BB_62> |
What is the molecular formula for <BB_62>? | The molecular formula for <BB_62> (O=Cc1cc(C(F)(F)F)c(F)cc1Br) is C8H3BrF4O. | |
Describe the ring structures in building block <BB_62>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_62>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_62>. | **Token:** <BB_62>
**SMILES:** O=Cc1cc(C(F)(F)F)c(F)cc1Br
**Molecular Formula:** C8H3BrF4O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_63>. | COC(=O)c1cnc(O)c2c1NCCC2 | |
What is the building block token for the following molecule? | COC(=O)c1cnc(O)c2c1NCCC2 | <BB_63> |
What is the molecular formula for <BB_63>? | The molecular formula for <BB_63> (COC(=O)c1cnc(O)c2c1NCCC2) is C10H12N2O3. | |
Describe the ring structures in building block <BB_63>. | 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_63>. | The molecule contains the following groups: Secondary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_63>. | **Token:** <BB_63>
**SMILES:** COC(=O)c1cnc(O)c2c1NCCC2
**Molecular Formula:** C10H12N2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_64>. | CN(C)Cc1cccc(C(=O)O)c1.Cl | |
What is the building block token for the following molecule? | CN(C)Cc1cccc(C(=O)O)c1.Cl | <BB_64> |
What is the molecular formula for <BB_64>? | The molecular formula for <BB_64> (CN(C)Cc1cccc(C(=O)O)c1.Cl) is C10H14ClNO2. | |
Describe the ring structures in building block <BB_64>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_64>. | 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_64>. | **Token:** <BB_64>
**SMILES:** CN(C)Cc1cccc(C(=O)O)c1.Cl
**Molecular Formula:** C10H14ClNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_65>. | Oc1cc(F)c2[nH]ccc2c1 | |
What is the building block token for the following molecule? | Oc1cc(F)c2[nH]ccc2c1 | <BB_65> |
What is the molecular formula for <BB_65>? | The molecular formula for <BB_65> (Oc1cc(F)c2[nH]ccc2c1) is C8H6FNO. | |
Describe the ring structures in building block <BB_65>. | 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_65>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_65>. | **Token:** <BB_65>
**SMILES:** Oc1cc(F)c2[nH]ccc2c1
**Molecular Formula:** C8H6FNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_66>. | Cn1c(I)c(C#N)c(=O)n(C)c1=O | |
What is the building block token for the following molecule? | Cn1c(I)c(C#N)c(=O)n(C)c1=O | <BB_66> |
What is the molecular formula for <BB_66>? | The molecular formula for <BB_66> (Cn1c(I)c(C#N)c(=O)n(C)c1=O) is C7H6IN3O2. | |
Describe the ring structures in building block <BB_66>. | The molecule contains 1 ring(s): an aromatic ring of size 6. |
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