instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_1950>. | C#CC(N)Cc1cccc(F)c1.Cl | |
What is the building block token for the following molecule? | C#CC(N)Cc1cccc(F)c1.Cl | <BB_1950> |
What is the molecular formula for <BB_1950>? | The molecular formula for <BB_1950> (C#CC(N)Cc1cccc(F)c1.Cl) is C10H11ClFN. | |
Describe the ring structures in building block <BB_1950>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1950>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1950>. | **Token:** <BB_1950>
**SMILES:** C#CC(N)Cc1cccc(F)c1.Cl
**Molecular Formula:** C10H11ClFN
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1951>. | CCOC(=O)c1ncn(C)c1C=O | |
What is the building block token for the following molecule? | CCOC(=O)c1ncn(C)c1C=O | <BB_1951> |
What is the molecular formula for <BB_1951>? | The molecular formula for <BB_1951> (CCOC(=O)c1ncn(C)c1C=O) is C8H10N2O3. | |
Describe the ring structures in building block <BB_1951>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1951>. | The molecule contains the following groups: Ester, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1951>. | **Token:** <BB_1951>
**SMILES:** CCOC(=O)c1ncn(C)c1C=O
**Molecular Formula:** C8H10N2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_1952>. | CC(Br)C(N)=O | |
What is the building block token for the following molecule? | CC(Br)C(N)=O | <BB_1952> |
What is the molecular formula for <BB_1952>? | The molecular formula for <BB_1952> (CC(Br)C(N)=O) is C3H6BrNO. | |
Describe the ring structures in building block <BB_1952>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1952>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1952>. | **Token:** <BB_1952>
**SMILES:** CC(Br)C(N)=O
**Molecular Formula:** C3H6BrNO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1953>. | CC(C)(C)OC(=O)NC(CO)C(F)(F)F | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC(CO)C(F)(F)F | <BB_1953> |
What is the molecular formula for <BB_1953>? | The molecular formula for <BB_1953> (CC(C)(C)OC(=O)NC(CO)C(F)(F)F) is C8H14F3NO3. | |
Describe the ring structures in building block <BB_1953>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1953>. | The molecule contains the following groups: Amide, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1953>. | **Token:** <BB_1953>
**SMILES:** CC(C)(C)OC(=O)NC(CO)C(F)(F)F
**Molecular Formula:** C8H14F3NO3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1954>. | Br.Nc1nc2cc(Cl)c(Br)cc2[nH]1 | |
What is the building block token for the following molecule? | Br.Nc1nc2cc(Cl)c(Br)cc2[nH]1 | <BB_1954> |
What is the molecular formula for <BB_1954>? | The molecular formula for <BB_1954> (Br.Nc1nc2cc(Cl)c(Br)cc2[nH]1) is C7H6Br2ClN3. | |
Describe the ring structures in building block <BB_1954>. | 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_1954>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1954>. | **Token:** <BB_1954>
**SMILES:** Br.Nc1nc2cc(Cl)c(Br)cc2[nH]1
**Molecular Formula:** C7H6Br2ClN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1955>. | Nc1c(I)cncc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | Nc1c(I)cncc1[N+](=O)[O-] | <BB_1955> |
What is the molecular formula for <BB_1955>? | The molecular formula for <BB_1955> (Nc1c(I)cncc1[N+](=O)[O-]) is C5H4IN3O2. | |
Describe the ring structures in building block <BB_1955>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1955>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1955>. | **Token:** <BB_1955>
**SMILES:** Nc1c(I)cncc1[N+](=O)[O-]
**Molecular Formula:** C5H4IN3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_1956>. | C[C@H](NC(=O)c1ccccc1)C(=O)O | |
What is the building block token for the following molecule? | C[C@H](NC(=O)c1ccccc1)C(=O)O | <BB_1956> |
What is the molecular formula for <BB_1956>? | The molecular formula for <BB_1956> (C[C@H](NC(=O)c1ccccc1)C(=O)O) is C10H11NO3. | |
Describe the ring structures in building block <BB_1956>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1956>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1956>. | **Token:** <BB_1956>
**SMILES:** C[C@H](NC(=O)c1ccccc1)C(=O)O
**Molecular Formula:** C10H11NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_1957>. | CC(C)C(Br)C(=O)N1CCc2sccc2C1 | |
What is the building block token for the following molecule? | CC(C)C(Br)C(=O)N1CCc2sccc2C1 | <BB_1957> |
What is the molecular formula for <BB_1957>? | The molecular formula for <BB_1957> (CC(C)C(Br)C(=O)N1CCc2sccc2C1) is C12H16BrNOS. | |
Describe the ring structures in building block <BB_1957>. | 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_1957>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1957>. | **Token:** <BB_1957>
**SMILES:** CC(C)C(Br)C(=O)N1CCc2sccc2C1
**Molecular Formula:** C12H16BrNOS
**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_1958>. | CC(C)NCc1ccccn1 | |
What is the building block token for the following molecule? | CC(C)NCc1ccccn1 | <BB_1958> |
What is the molecular formula for <BB_1958>? | The molecular formula for <BB_1958> (CC(C)NCc1ccccn1) is C9H14N2. | |
Describe the ring structures in building block <BB_1958>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1958>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1958>. | **Token:** <BB_1958>
**SMILES:** CC(C)NCc1ccccn1
**Molecular Formula:** C9H14N2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_1959>. | O=C(O)c1cc(Cl)ccc1Sc1ccc(Cl)cc1 | |
What is the building block token for the following molecule? | O=C(O)c1cc(Cl)ccc1Sc1ccc(Cl)cc1 | <BB_1959> |
What is the molecular formula for <BB_1959>? | The molecular formula for <BB_1959> (O=C(O)c1cc(Cl)ccc1Sc1ccc(Cl)cc1) is C13H8Cl2O2S. | |
Describe the ring structures in building block <BB_1959>. | 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_1959>. | The molecule contains the following groups: Carboxylic Acid, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1959>. | **Token:** <BB_1959>
**SMILES:** O=C(O)c1cc(Cl)ccc1Sc1ccc(Cl)cc1
**Molecular Formula:** C13H8Cl2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1960>. | COc1cc2c(cc1OC)CN(S(N)(=O)=O)CC2 | |
What is the building block token for the following molecule? | COc1cc2c(cc1OC)CN(S(N)(=O)=O)CC2 | <BB_1960> |
What is the molecular formula for <BB_1960>? | The molecular formula for <BB_1960> (COc1cc2c(cc1OC)CN(S(N)(=O)=O)CC2) is C11H16N2O4S. | |
Describe the ring structures in building block <BB_1960>. | 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_1960>. | The molecule contains the following groups: Amine, Tertiary Amine, Ether, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1960>. | **Token:** <BB_1960>
**SMILES:** COc1cc2c(cc1OC)CN(S(N)(=O)=O)CC2
**Molecular Formula:** C11H16N2O4S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Ether, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1961>. | CCCC1CN(C(=O)OC(C)(C)C)CCN1 | |
What is the building block token for the following molecule? | CCCC1CN(C(=O)OC(C)(C)C)CCN1 | <BB_1961> |
What is the molecular formula for <BB_1961>? | The molecular formula for <BB_1961> (CCCC1CN(C(=O)OC(C)(C)C)CCN1) is C12H24N2O2. | |
Describe the ring structures in building block <BB_1961>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1961>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1961>. | **Token:** <BB_1961>
**SMILES:** CCCC1CN(C(=O)OC(C)(C)C)CCN1
**Molecular Formula:** C12H24N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1962>. | O=C(O)C1CCCC2(C1)CC2(F)F | |
What is the building block token for the following molecule? | O=C(O)C1CCCC2(C1)CC2(F)F | <BB_1962> |
What is the molecular formula for <BB_1962>? | The molecular formula for <BB_1962> (O=C(O)C1CCCC2(C1)CC2(F)F) is C9H12F2O2. | |
Describe the ring structures in building block <BB_1962>. | 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_1962>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1962>. | **Token:** <BB_1962>
**SMILES:** O=C(O)C1CCCC2(C1)CC2(F)F
**Molecular Formula:** C9H12F2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1963>. | Cc1nc(Cl)nc2c1CCC2 | |
What is the building block token for the following molecule? | Cc1nc(Cl)nc2c1CCC2 | <BB_1963> |
What is the molecular formula for <BB_1963>? | The molecular formula for <BB_1963> (Cc1nc(Cl)nc2c1CCC2) is C8H9ClN2. | |
Describe the ring structures in building block <BB_1963>. | 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_1963>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1963>. | **Token:** <BB_1963>
**SMILES:** Cc1nc(Cl)nc2c1CCC2
**Molecular Formula:** C8H9ClN2
**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_1964>. | CN(C)C(=O)COc1ccccc1C=O | |
What is the building block token for the following molecule? | CN(C)C(=O)COc1ccccc1C=O | <BB_1964> |
What is the molecular formula for <BB_1964>? | The molecular formula for <BB_1964> (CN(C)C(=O)COc1ccccc1C=O) is C11H13NO3. | |
Describe the ring structures in building block <BB_1964>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1964>. | The molecule contains the following groups: Amide, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1964>. | **Token:** <BB_1964>
**SMILES:** CN(C)C(=O)COc1ccccc1C=O
**Molecular Formula:** C11H13NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_1965>. | COCC(=O)c1cccc(Cl)c1 | |
What is the building block token for the following molecule? | COCC(=O)c1cccc(Cl)c1 | <BB_1965> |
What is the molecular formula for <BB_1965>? | The molecular formula for <BB_1965> (COCC(=O)c1cccc(Cl)c1) is C9H9ClO2. | |
Describe the ring structures in building block <BB_1965>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1965>. | The molecule contains the following groups: Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1965>. | **Token:** <BB_1965>
**SMILES:** COCC(=O)c1cccc(Cl)c1
**Molecular Formula:** C9H9ClO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1966>. | Cc1ccc(CBr)cc1Br | |
What is the building block token for the following molecule? | Cc1ccc(CBr)cc1Br | <BB_1966> |
What is the molecular formula for <BB_1966>? | The molecular formula for <BB_1966> (Cc1ccc(CBr)cc1Br) is C8H8Br2. | |
Describe the ring structures in building block <BB_1966>. | The molecule contains 1 ring(s): an aromatic ring of size 6. |
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