instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_1966>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1966>. | **Token:** <BB_1966>
**SMILES:** Cc1ccc(CBr)cc1Br
**Molecular Formula:** C8H8Br2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1967>. | C1COC(CC2CCOCC2)CN1.Cl | |
What is the building block token for the following molecule? | C1COC(CC2CCOCC2)CN1.Cl | <BB_1967> |
What is the molecular formula for <BB_1967>? | The molecular formula for <BB_1967> (C1COC(CC2CCOCC2)CN1.Cl) is C10H20ClNO2. | |
Describe the ring structures in building block <BB_1967>. | 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_1967>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1967>. | **Token:** <BB_1967>
**SMILES:** C1COC(CC2CCOCC2)CN1.Cl
**Molecular Formula:** C10H20ClNO2
**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, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1968>. | O=C(CCc1ccccc1)C(F)(F)F | |
What is the building block token for the following molecule? | O=C(CCc1ccccc1)C(F)(F)F | <BB_1968> |
What is the molecular formula for <BB_1968>? | The molecular formula for <BB_1968> (O=C(CCc1ccccc1)C(F)(F)F) is C10H9F3O. | |
Describe the ring structures in building block <BB_1968>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1968>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1968>. | **Token:** <BB_1968>
**SMILES:** O=C(CCc1ccccc1)C(F)(F)F
**Molecular Formula:** C10H9F3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1969>. | CCNC(=O)c1c(N)cnn1C.Cl | |
What is the building block token for the following molecule? | CCNC(=O)c1c(N)cnn1C.Cl | <BB_1969> |
What is the molecular formula for <BB_1969>? | The molecular formula for <BB_1969> (CCNC(=O)c1c(N)cnn1C.Cl) is C7H13ClN4O. | |
Describe the ring structures in building block <BB_1969>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1969>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1969>. | **Token:** <BB_1969>
**SMILES:** CCNC(=O)c1c(N)cnn1C.Cl
**Molecular Formula:** C7H13ClN4O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1970>. | CCOC(=O)c1cn(C2CCNC2)nc1C(F)(F)F | |
What is the building block token for the following molecule? | CCOC(=O)c1cn(C2CCNC2)nc1C(F)(F)F | <BB_1970> |
What is the molecular formula for <BB_1970>? | The molecular formula for <BB_1970> (CCOC(=O)c1cn(C2CCNC2)nc1C(F)(F)F) is C11H14F3N3O2. | |
Describe the ring structures in building block <BB_1970>. | 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_1970>. | 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_1970>. | **Token:** <BB_1970>
**SMILES:** CCOC(=O)c1cn(C2CCNC2)nc1C(F)(F)F
**Molecular Formula:** C11H14F3N3O2
**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_1971>. | COC(=O)c1ccc(Br)cc1C(=O)OC | |
What is the building block token for the following molecule? | COC(=O)c1ccc(Br)cc1C(=O)OC | <BB_1971> |
What is the molecular formula for <BB_1971>? | The molecular formula for <BB_1971> (COC(=O)c1ccc(Br)cc1C(=O)OC) is C10H9BrO4. | |
Describe the ring structures in building block <BB_1971>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1971>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1971>. | **Token:** <BB_1971>
**SMILES:** COC(=O)c1ccc(Br)cc1C(=O)OC
**Molecular Formula:** C10H9BrO4
**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_1972>. | O=[N+]([O-])c1ccc2scc(Br)c2c1 | |
What is the building block token for the following molecule? | O=[N+]([O-])c1ccc2scc(Br)c2c1 | <BB_1972> |
What is the molecular formula for <BB_1972>? | The molecular formula for <BB_1972> (O=[N+]([O-])c1ccc2scc(Br)c2c1) is C8H4BrNO2S. | |
Describe the ring structures in building block <BB_1972>. | 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_1972>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1972>. | **Token:** <BB_1972>
**SMILES:** O=[N+]([O-])c1ccc2scc(Br)c2c1
**Molecular Formula:** C8H4BrNO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_1973>. | Cc1cnoc1 | |
What is the building block token for the following molecule? | Cc1cnoc1 | <BB_1973> |
What is the molecular formula for <BB_1973>? | The molecular formula for <BB_1973> (Cc1cnoc1) is C4H5NO. | |
Describe the ring structures in building block <BB_1973>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1973>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1973>. | **Token:** <BB_1973>
**SMILES:** Cc1cnoc1
**Molecular Formula:** C4H5NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_1974>. | N#Cc1cn(C2CCCC2)c(=O)[nH]c1=O | |
What is the building block token for the following molecule? | N#Cc1cn(C2CCCC2)c(=O)[nH]c1=O | <BB_1974> |
What is the molecular formula for <BB_1974>? | The molecular formula for <BB_1974> (N#Cc1cn(C2CCCC2)c(=O)[nH]c1=O) is C10H11N3O2. | |
Describe the ring structures in building block <BB_1974>. | 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_1974>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1974>. | **Token:** <BB_1974>
**SMILES:** N#Cc1cn(C2CCCC2)c(=O)[nH]c1=O
**Molecular Formula:** C10H11N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_1975>. | Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 | |
What is the building block token for the following molecule? | Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 | <BB_1975> |
What is the molecular formula for <BB_1975>? | The molecular formula for <BB_1975> (Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1) is C12H10ClN3O. | |
Describe the ring structures in building block <BB_1975>. | 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_1975>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1975>. | **Token:** <BB_1975>
**SMILES:** Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1
**Molecular Formula:** C12H10ClN3O
**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_1976>. | COC(=O)C1CCC2(CCCCC2)NC1 | |
What is the building block token for the following molecule? | COC(=O)C1CCC2(CCCCC2)NC1 | <BB_1976> |
What is the molecular formula for <BB_1976>? | The molecular formula for <BB_1976> (COC(=O)C1CCC2(CCCCC2)NC1) is C12H21NO2. | |
Describe the ring structures in building block <BB_1976>. | 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_1976>. | The molecule contains the following groups: Secondary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1976>. | **Token:** <BB_1976>
**SMILES:** COC(=O)C1CCC2(CCCCC2)NC1
**Molecular Formula:** C12H21NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic 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_1977>. | Cn1nccc1C(=O)c1ccnn1C | |
What is the building block token for the following molecule? | Cn1nccc1C(=O)c1ccnn1C | <BB_1977> |
What is the molecular formula for <BB_1977>? | The molecular formula for <BB_1977> (Cn1nccc1C(=O)c1ccnn1C) is C9H10N4O. | |
Describe the ring structures in building block <BB_1977>. | 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_1977>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_1977>. | **Token:** <BB_1977>
**SMILES:** Cn1nccc1C(=O)c1ccnn1C
**Molecular Formula:** C9H10N4O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_1978>. | Cl.O=C(O)C1(Cc2c[nH]nn2)CCCC1 | |
What is the building block token for the following molecule? | Cl.O=C(O)C1(Cc2c[nH]nn2)CCCC1 | <BB_1978> |
What is the molecular formula for <BB_1978>? | The molecular formula for <BB_1978> (Cl.O=C(O)C1(Cc2c[nH]nn2)CCCC1) is C9H14ClN3O2. | |
Describe the ring structures in building block <BB_1978>. | 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_1978>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1978>. | **Token:** <BB_1978>
**SMILES:** Cl.O=C(O)C1(Cc2c[nH]nn2)CCCC1
**Molecular Formula:** C9H14ClN3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_1979>. | CC(=O)c1cc(Cl)c(N)c(Cl)c1 | |
What is the building block token for the following molecule? | CC(=O)c1cc(Cl)c(N)c(Cl)c1 | <BB_1979> |
What is the molecular formula for <BB_1979>? | The molecular formula for <BB_1979> (CC(=O)c1cc(Cl)c(N)c(Cl)c1) is C8H7Cl2NO. | |
Describe the ring structures in building block <BB_1979>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1979>. | The molecule contains the following groups: Amine, Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1979>. | **Token:** <BB_1979>
**SMILES:** CC(=O)c1cc(Cl)c(N)c(Cl)c1
**Molecular Formula:** C8H7Cl2NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1980>. | Brc1ccc(-c2ccon2)cc1 | |
What is the building block token for the following molecule? | Brc1ccc(-c2ccon2)cc1 | <BB_1980> |
What is the molecular formula for <BB_1980>? | The molecular formula for <BB_1980> (Brc1ccc(-c2ccon2)cc1) is C9H6BrNO. | |
Describe the ring structures in building block <BB_1980>. | 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_1980>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1980>. | **Token:** <BB_1980>
**SMILES:** Brc1ccc(-c2ccon2)cc1
**Molecular Formula:** C9H6BrNO
**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_1981>. | Cl.O=C(O)C12CC=CCN1CCC2 | |
What is the building block token for the following molecule? | Cl.O=C(O)C12CC=CCN1CCC2 | <BB_1981> |
What is the molecular formula for <BB_1981>? | The molecular formula for <BB_1981> (Cl.O=C(O)C12CC=CCN1CCC2) is C9H14ClNO2. | |
Describe the ring structures in building block <BB_1981>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1981>. | 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_1981>. | **Token:** <BB_1981>
**SMILES:** Cl.O=C(O)C12CC=CCN1CCC2
**Molecular Formula:** C9H14ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic 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_1982>. | O=C(O)c1ccnc(-n2cnnn2)c1 | |
What is the building block token for the following molecule? | O=C(O)c1ccnc(-n2cnnn2)c1 | <BB_1982> |
What is the molecular formula for <BB_1982>? | The molecular formula for <BB_1982> (O=C(O)c1ccnc(-n2cnnn2)c1) is C7H5N5O2. | |
Describe the ring structures in building block <BB_1982>. | 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_1982>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1982>. | **Token:** <BB_1982>
**SMILES:** O=C(O)c1ccnc(-n2cnnn2)c1
**Molecular Formula:** C7H5N5O2
**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_1983>. | C1COCCOCCOCCOCCO1 | |
What is the building block token for the following molecule? | C1COCCOCCOCCOCCO1 | <BB_1983> |
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