instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_950>. | Br.BrCCCc1nc[nH]n1 | |
What is the building block token for the following molecule? | Br.BrCCCc1nc[nH]n1 | <BB_950> |
What is the molecular formula for <BB_950>? | The molecular formula for <BB_950> (Br.BrCCCc1nc[nH]n1) is C5H9Br2N3. | |
Describe the ring structures in building block <BB_950>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_950>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_950>. | **Token:** <BB_950>
**SMILES:** Br.BrCCCc1nc[nH]n1
**Molecular Formula:** C5H9Br2N3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_951>. | Cc1oc(C=O)cc1Br | |
What is the building block token for the following molecule? | Cc1oc(C=O)cc1Br | <BB_951> |
What is the molecular formula for <BB_951>? | The molecular formula for <BB_951> (Cc1oc(C=O)cc1Br) is C6H5BrO2. | |
Describe the ring structures in building block <BB_951>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_951>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_951>. | **Token:** <BB_951>
**SMILES:** Cc1oc(C=O)cc1Br
**Molecular Formula:** C6H5BrO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_952>. | O=C(O)c1ccc(C2CCOC2)s1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc(C2CCOC2)s1 | <BB_952> |
What is the molecular formula for <BB_952>? | The molecular formula for <BB_952> (O=C(O)c1ccc(C2CCOC2)s1) is C9H10O3S. | |
Describe the ring structures in building block <BB_952>. | 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_952>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_952>. | **Token:** <BB_952>
**SMILES:** O=C(O)c1ccc(C2CCOC2)s1
**Molecular Formula:** C9H10O3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_953>. | O=C([O-])CC(O)CCO.[Li+] | |
What is the building block token for the following molecule? | O=C([O-])CC(O)CCO.[Li+] | <BB_953> |
What is the molecular formula for <BB_953>? | The molecular formula for <BB_953> (O=C([O-])CC(O)CCO.[Li+]) is C5H9LiO4. | |
Describe the ring structures in building block <BB_953>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_953>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_953>. | **Token:** <BB_953>
**SMILES:** O=C([O-])CC(O)CCO.[Li+]
**Molecular Formula:** C5H9LiO4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_954>. | CC(CO)N1CCCCC1.Cl | |
What is the building block token for the following molecule? | CC(CO)N1CCCCC1.Cl | <BB_954> |
What is the molecular formula for <BB_954>? | The molecular formula for <BB_954> (CC(CO)N1CCCCC1.Cl) is C8H18ClNO. | |
Describe the ring structures in building block <BB_954>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_954>. | The molecule contains the following groups: Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_954>. | **Token:** <BB_954>
**SMILES:** CC(CO)N1CCCCC1.Cl
**Molecular Formula:** C8H18ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_955>. | COC12CC(CN=[N+]=[N-])(C1)C2 | |
What is the building block token for the following molecule? | COC12CC(CN=[N+]=[N-])(C1)C2 | <BB_955> |
What is the molecular formula for <BB_955>? | The molecular formula for <BB_955> (COC12CC(CN=[N+]=[N-])(C1)C2) is C7H11N3O. | |
Describe the ring structures in building block <BB_955>. | The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_955>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_955>. | **Token:** <BB_955>
**SMILES:** COC12CC(CN=[N+]=[N-])(C1)C2
**Molecular Formula:** C7H11N3O
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_956>. | CCOC(=O)c1cc([N+](=O)[O-])c(OCC)cc1C | |
What is the building block token for the following molecule? | CCOC(=O)c1cc([N+](=O)[O-])c(OCC)cc1C | <BB_956> |
What is the molecular formula for <BB_956>? | The molecular formula for <BB_956> (CCOC(=O)c1cc([N+](=O)[O-])c(OCC)cc1C) is C12H15NO5. | |
Describe the ring structures in building block <BB_956>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_956>. | The molecule contains the following groups: Tertiary Amine, Ester, Ether, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_956>. | **Token:** <BB_956>
**SMILES:** CCOC(=O)c1cc([N+](=O)[O-])c(OCC)cc1C
**Molecular Formula:** C12H15NO5
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ester, Ether, Nitro | |
Provide the SMILES representation for the building block token <BB_957>. | CN(C)C(=O)CCCCCl | |
What is the building block token for the following molecule? | CN(C)C(=O)CCCCCl | <BB_957> |
What is the molecular formula for <BB_957>? | The molecular formula for <BB_957> (CN(C)C(=O)CCCCCl) is C7H14ClNO. | |
Describe the ring structures in building block <BB_957>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_957>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_957>. | **Token:** <BB_957>
**SMILES:** CN(C)C(=O)CCCCCl
**Molecular Formula:** C7H14ClNO
**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_958>. | COC1CC(C)CCC1=O | |
What is the building block token for the following molecule? | COC1CC(C)CCC1=O | <BB_958> |
What is the molecular formula for <BB_958>? | The molecular formula for <BB_958> (COC1CC(C)CCC1=O) is C8H14O2. | |
Describe the ring structures in building block <BB_958>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_958>. | The molecule contains the following groups: Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_958>. | **Token:** <BB_958>
**SMILES:** COC1CC(C)CCC1=O
**Molecular Formula:** C8H14O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_959>. | C1COC2(CCC3(CC2)CO3)O1 | |
What is the building block token for the following molecule? | C1COC2(CCC3(CC2)CO3)O1 | <BB_959> |
What is the molecular formula for <BB_959>? | The molecular formula for <BB_959> (C1COC2(CCC3(CC2)CO3)O1) is C9H14O3. | |
Describe the ring structures in building block <BB_959>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_959>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_959>. | **Token:** <BB_959>
**SMILES:** C1COC2(CCC3(CC2)CO3)O1
**Molecular Formula:** C9H14O3
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_960>. | Cc1nnc(S)n1N | |
What is the building block token for the following molecule? | Cc1nnc(S)n1N | <BB_960> |
What is the molecular formula for <BB_960>? | The molecular formula for <BB_960> (Cc1nnc(S)n1N) is C3H6N4S. | |
Describe the ring structures in building block <BB_960>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_960>. | The molecule contains the following groups: Amine, Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_960>. | **Token:** <BB_960>
**SMILES:** Cc1nnc(S)n1N
**Molecular Formula:** C3H6N4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Thiol | |
Provide the SMILES representation for the building block token <BB_961>. | Clc1scc(-c2ccnc(N3CCOCC3)n2)c1Cl | |
What is the building block token for the following molecule? | Clc1scc(-c2ccnc(N3CCOCC3)n2)c1Cl | <BB_961> |
What is the molecular formula for <BB_961>? | The molecular formula for <BB_961> (Clc1scc(-c2ccnc(N3CCOCC3)n2)c1Cl) is C12H11Cl2N3OS. | |
Describe the ring structures in building block <BB_961>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_961>. | The molecule contains the following groups: Tertiary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_961>. | **Token:** <BB_961>
**SMILES:** Clc1scc(-c2ccnc(N3CCOCC3)n2)c1Cl
**Molecular Formula:** C12H11Cl2N3OS
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_962>. | Cl.O=C1Nc2ccccc2C1C1CCNCC1 | |
What is the building block token for the following molecule? | Cl.O=C1Nc2ccccc2C1C1CCNCC1 | <BB_962> |
What is the molecular formula for <BB_962>? | The molecular formula for <BB_962> (Cl.O=C1Nc2ccccc2C1C1CCNCC1) is C13H17ClN2O. | |
Describe the ring structures in building block <BB_962>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_962>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_962>. | **Token:** <BB_962>
**SMILES:** Cl.O=C1Nc2ccccc2C1C1CCNCC1
**Molecular Formula:** C13H17ClN2O
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_963>. | Cl.O=C(O)C1CC2CNCC1C2 | |
What is the building block token for the following molecule? | Cl.O=C(O)C1CC2CNCC1C2 | <BB_963> |
What is the molecular formula for <BB_963>? | The molecular formula for <BB_963> (Cl.O=C(O)C1CC2CNCC1C2) is C8H14ClNO2. | |
Describe the ring structures in building block <BB_963>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_963>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_963>. | **Token:** <BB_963>
**SMILES:** Cl.O=C(O)C1CC2CNCC1C2
**Molecular Formula:** C8H14ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_964>. | O=C(O)C(F)c1ccc(Br)cc1Cl | |
What is the building block token for the following molecule? | O=C(O)C(F)c1ccc(Br)cc1Cl | <BB_964> |
What is the molecular formula for <BB_964>? | The molecular formula for <BB_964> (O=C(O)C(F)c1ccc(Br)cc1Cl) is C8H5BrClFO2. | |
Describe the ring structures in building block <BB_964>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_964>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_964>. | **Token:** <BB_964>
**SMILES:** O=C(O)C(F)c1ccc(Br)cc1Cl
**Molecular Formula:** C8H5BrClFO2
**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_965>. | CCc1cc(F)cc(B2OC(C)(C)C(C)(C)O2)c1 | |
What is the building block token for the following molecule? | CCc1cc(F)cc(B2OC(C)(C)C(C)(C)O2)c1 | <BB_965> |
What is the molecular formula for <BB_965>? | The molecular formula for <BB_965> (CCc1cc(F)cc(B2OC(C)(C)C(C)(C)O2)c1) is C14H20BFO2. | |
Describe the ring structures in building block <BB_965>. | 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_965>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_965>. | **Token:** <BB_965>
**SMILES:** CCc1cc(F)cc(B2OC(C)(C)C(C)(C)O2)c1
**Molecular Formula:** C14H20BFO2
**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_966>. | NCc1ccc(C2CC2)cc1F | |
What is the building block token for the following molecule? | NCc1ccc(C2CC2)cc1F | <BB_966> |
What is the molecular formula for <BB_966>? | The molecular formula for <BB_966> (NCc1ccc(C2CC2)cc1F) is C10H12FN. | |
Describe the ring structures in building block <BB_966>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3. |
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