instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_2350>. | O=C1CCc2cc(Cl)ccc21 | |
What is the building block token for the following molecule? | O=C1CCc2cc(Cl)ccc21 | <BB_2350> |
What is the molecular formula for <BB_2350>? | The molecular formula for <BB_2350> (O=C1CCc2cc(Cl)ccc21) is C9H7ClO. | |
Describe the ring structures in building block <BB_2350>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2350>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2350>. | **Token:** <BB_2350>
**SMILES:** O=C1CCc2cc(Cl)ccc21
**Molecular Formula:** C9H7ClO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2351>. | CCCNC(=O)C(C)Cl | |
What is the building block token for the following molecule? | CCCNC(=O)C(C)Cl | <BB_2351> |
What is the molecular formula for <BB_2351>? | The molecular formula for <BB_2351> (CCCNC(=O)C(C)Cl) is C6H12ClNO. | |
Describe the ring structures in building block <BB_2351>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2351>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2351>. | **Token:** <BB_2351>
**SMILES:** CCCNC(=O)C(C)Cl
**Molecular Formula:** C6H12ClNO
**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_2352>. | Cc1cc(C(=O)O)c(C2CC2)s1 | |
What is the building block token for the following molecule? | Cc1cc(C(=O)O)c(C2CC2)s1 | <BB_2352> |
What is the molecular formula for <BB_2352>? | The molecular formula for <BB_2352> (Cc1cc(C(=O)O)c(C2CC2)s1) is C9H10O2S. | |
Describe the ring structures in building block <BB_2352>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2352>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2352>. | **Token:** <BB_2352>
**SMILES:** Cc1cc(C(=O)O)c(C2CC2)s1
**Molecular Formula:** C9H10O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2353>. | O=c1[nH]ncc2ccoc12 | |
What is the building block token for the following molecule? | O=c1[nH]ncc2ccoc12 | <BB_2353> |
What is the molecular formula for <BB_2353>? | The molecular formula for <BB_2353> (O=c1[nH]ncc2ccoc12) is C6H4N2O2. | |
Describe the ring structures in building block <BB_2353>. | 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_2353>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2353>. | **Token:** <BB_2353>
**SMILES:** O=c1[nH]ncc2ccoc12
**Molecular Formula:** C6H4N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2354>. | NS(=O)(=O)c1cccc2c(O)cccc12 | |
What is the building block token for the following molecule? | NS(=O)(=O)c1cccc2c(O)cccc12 | <BB_2354> |
What is the molecular formula for <BB_2354>? | The molecular formula for <BB_2354> (NS(=O)(=O)c1cccc2c(O)cccc12) is C10H9NO3S. | |
Describe the ring structures in building block <BB_2354>. | 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_2354>. | The molecule contains the following groups: Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2354>. | **Token:** <BB_2354>
**SMILES:** NS(=O)(=O)c1cccc2c(O)cccc12
**Molecular Formula:** C10H9NO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2355>. | Cl.NCCCCc1c[nH]c2ccccc12 | |
What is the building block token for the following molecule? | Cl.NCCCCc1c[nH]c2ccccc12 | <BB_2355> |
What is the molecular formula for <BB_2355>? | The molecular formula for <BB_2355> (Cl.NCCCCc1c[nH]c2ccccc12) is C12H17ClN2. | |
Describe the ring structures in building block <BB_2355>. | 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_2355>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2355>. | **Token:** <BB_2355>
**SMILES:** Cl.NCCCCc1c[nH]c2ccccc12
**Molecular Formula:** C12H17ClN2
**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_2356>. | COC(=O)C1CC2NC(C)CCC2O1.Cl | |
What is the building block token for the following molecule? | COC(=O)C1CC2NC(C)CCC2O1.Cl | <BB_2356> |
What is the molecular formula for <BB_2356>? | The molecular formula for <BB_2356> (COC(=O)C1CC2NC(C)CCC2O1.Cl) is C10H18ClNO3. | |
Describe the ring structures in building block <BB_2356>. | 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_2356>. | 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_2356>. | **Token:** <BB_2356>
**SMILES:** COC(=O)C1CC2NC(C)CCC2O1.Cl
**Molecular Formula:** C10H18ClNO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, 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_2357>. | Brc1cnccn1.Cl | |
What is the building block token for the following molecule? | Brc1cnccn1.Cl | <BB_2357> |
What is the molecular formula for <BB_2357>? | The molecular formula for <BB_2357> (Brc1cnccn1.Cl) is C4H4BrClN2. | |
Describe the ring structures in building block <BB_2357>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2357>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2357>. | **Token:** <BB_2357>
**SMILES:** Brc1cnccn1.Cl
**Molecular Formula:** C4H4BrClN2
**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_2358>. | Cc1cc(O)cc2oc(=O)[nH]c12 | |
What is the building block token for the following molecule? | Cc1cc(O)cc2oc(=O)[nH]c12 | <BB_2358> |
What is the molecular formula for <BB_2358>? | The molecular formula for <BB_2358> (Cc1cc(O)cc2oc(=O)[nH]c12) is C8H7NO3. | |
Describe the ring structures in building block <BB_2358>. | 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_2358>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2358>. | **Token:** <BB_2358>
**SMILES:** Cc1cc(O)cc2oc(=O)[nH]c12
**Molecular Formula:** C8H7NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2359>. | COC(=O)CC(F)(F)F | |
What is the building block token for the following molecule? | COC(=O)CC(F)(F)F | <BB_2359> |
What is the molecular formula for <BB_2359>? | The molecular formula for <BB_2359> (COC(=O)CC(F)(F)F) is C4H5F3O2. | |
Describe the ring structures in building block <BB_2359>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2359>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2359>. | **Token:** <BB_2359>
**SMILES:** COC(=O)CC(F)(F)F
**Molecular Formula:** C4H5F3O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2360>. | CS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 | |
What is the building block token for the following molecule? | CS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 | <BB_2360> |
What is the molecular formula for <BB_2360>? | The molecular formula for <BB_2360> (CS(=O)(=O)c1ccc(S(N)(=O)=O)cc1) is C7H9NO4S2. | |
Describe the ring structures in building block <BB_2360>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2360>. | The molecule contains the following groups: Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2360>. | **Token:** <BB_2360>
**SMILES:** CS(=O)(=O)c1ccc(S(N)(=O)=O)cc1
**Molecular Formula:** C7H9NO4S2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2361>. | CC/C(C)=C/CO | |
What is the building block token for the following molecule? | CC/C(C)=C/CO | <BB_2361> |
What is the molecular formula for <BB_2361>? | The molecular formula for <BB_2361> (CC/C(C)=C/CO) is C6H12O. | |
Describe the ring structures in building block <BB_2361>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2361>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2361>. | **Token:** <BB_2361>
**SMILES:** CC/C(C)=C/CO
**Molecular Formula:** C6H12O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_2362>. | N=c1c(C(N)=O)c[nH]c2c(Br)cccc12 | |
What is the building block token for the following molecule? | N=c1c(C(N)=O)c[nH]c2c(Br)cccc12 | <BB_2362> |
What is the molecular formula for <BB_2362>? | The molecular formula for <BB_2362> (N=c1c(C(N)=O)c[nH]c2c(Br)cccc12) is C10H8BrN3O. | |
Describe the ring structures in building block <BB_2362>. | 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_2362>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2362>. | **Token:** <BB_2362>
**SMILES:** N=c1c(C(N)=O)c[nH]c2c(Br)cccc12
**Molecular Formula:** C10H8BrN3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2363>. | Cc1cc(C)c2nc(O)cc(C)c2c1 | |
What is the building block token for the following molecule? | Cc1cc(C)c2nc(O)cc(C)c2c1 | <BB_2363> |
What is the molecular formula for <BB_2363>? | The molecular formula for <BB_2363> (Cc1cc(C)c2nc(O)cc(C)c2c1) is C12H13NO. | |
Describe the ring structures in building block <BB_2363>. | 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_2363>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2363>. | **Token:** <BB_2363>
**SMILES:** Cc1cc(C)c2nc(O)cc(C)c2c1
**Molecular Formula:** C12H13NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2364>. | O=CCc1cccc(Br)c1 | |
What is the building block token for the following molecule? | O=CCc1cccc(Br)c1 | <BB_2364> |
What is the molecular formula for <BB_2364>? | The molecular formula for <BB_2364> (O=CCc1cccc(Br)c1) is C8H7BrO. | |
Describe the ring structures in building block <BB_2364>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2364>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2364>. | **Token:** <BB_2364>
**SMILES:** O=CCc1cccc(Br)c1
**Molecular Formula:** C8H7BrO
**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_2365>. | COc1ccc(N)c(Br)n1 | |
What is the building block token for the following molecule? | COc1ccc(N)c(Br)n1 | <BB_2365> |
What is the molecular formula for <BB_2365>? | The molecular formula for <BB_2365> (COc1ccc(N)c(Br)n1) is C6H7BrN2O. | |
Describe the ring structures in building block <BB_2365>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2365>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2365>. | **Token:** <BB_2365>
**SMILES:** COc1ccc(N)c(Br)n1
**Molecular Formula:** C6H7BrN2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2366>. | CN(C)S(=O)(=O)N1CCNCC1.Cl | |
What is the building block token for the following molecule? | CN(C)S(=O)(=O)N1CCNCC1.Cl | <BB_2366> |
What is the molecular formula for <BB_2366>? | The molecular formula for <BB_2366> (CN(C)S(=O)(=O)N1CCNCC1.Cl) is C6H16ClN3O2S. | |
Describe the ring structures in building block <BB_2366>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. |
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