instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_3250>. | NNC(=S)Nc1ccccc1Cl | |
What is the building block token for the following molecule? | NNC(=S)Nc1ccccc1Cl | <BB_3250> |
What is the molecular formula for <BB_3250>? | The molecular formula for <BB_3250> (NNC(=S)Nc1ccccc1Cl) is C7H8ClN3S. | |
Describe the ring structures in building block <BB_3250>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3250>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3250>. | **Token:** <BB_3250>
**SMILES:** NNC(=S)Nc1ccccc1Cl
**Molecular Formula:** C7H8ClN3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3251>. | CC(CCl)CN(C)C.Cl | |
What is the building block token for the following molecule? | CC(CCl)CN(C)C.Cl | <BB_3251> |
What is the molecular formula for <BB_3251>? | The molecular formula for <BB_3251> (CC(CCl)CN(C)C.Cl) is C6H15Cl2N. | |
Describe the ring structures in building block <BB_3251>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_3251>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3251>. | **Token:** <BB_3251>
**SMILES:** CC(CCl)CN(C)C.Cl
**Molecular Formula:** C6H15Cl2N
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3252>. | N#CCc1cc(Cl)cc(Br)c1 | |
What is the building block token for the following molecule? | N#CCc1cc(Cl)cc(Br)c1 | <BB_3252> |
What is the molecular formula for <BB_3252>? | The molecular formula for <BB_3252> (N#CCc1cc(Cl)cc(Br)c1) is C8H5BrClN. | |
Describe the ring structures in building block <BB_3252>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3252>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_3252>. | **Token:** <BB_3252>
**SMILES:** N#CCc1cc(Cl)cc(Br)c1
**Molecular Formula:** C8H5BrClN
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_3253>. | CC(C)(C)OC(=O)N1CCC(CCCO)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC(CCCO)C1 | <BB_3253> |
What is the molecular formula for <BB_3253>? | The molecular formula for <BB_3253> (CC(C)(C)OC(=O)N1CCC(CCCO)C1) is C12H23NO3. | |
Describe the ring structures in building block <BB_3253>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_3253>. | The molecule contains the following groups: Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3253>. | **Token:** <BB_3253>
**SMILES:** CC(C)(C)OC(=O)N1CCC(CCCO)C1
**Molecular Formula:** C12H23NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_3254>. | Cc1cc(F)c(N)c(I)c1 | |
What is the building block token for the following molecule? | Cc1cc(F)c(N)c(I)c1 | <BB_3254> |
What is the molecular formula for <BB_3254>? | The molecular formula for <BB_3254> (Cc1cc(F)c(N)c(I)c1) is C7H7FIN. | |
Describe the ring structures in building block <BB_3254>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3254>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3254>. | **Token:** <BB_3254>
**SMILES:** Cc1cc(F)c(N)c(I)c1
**Molecular Formula:** C7H7FIN
**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_3255>. | CCC1(C(C)=O)CN(C(=O)OC(C)(C)C)C1 | |
What is the building block token for the following molecule? | CCC1(C(C)=O)CN(C(=O)OC(C)(C)C)C1 | <BB_3255> |
What is the molecular formula for <BB_3255>? | The molecular formula for <BB_3255> (CCC1(C(C)=O)CN(C(=O)OC(C)(C)C)C1) is C12H21NO3. | |
Describe the ring structures in building block <BB_3255>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_3255>. | The molecule contains the following groups: Amide, Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3255>. | **Token:** <BB_3255>
**SMILES:** CCC1(C(C)=O)CN(C(=O)OC(C)(C)C)C1
**Molecular Formula:** C12H21NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amide, Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_3256>. | Clc1nnc(Cl)s1 | |
What is the building block token for the following molecule? | Clc1nnc(Cl)s1 | <BB_3256> |
What is the molecular formula for <BB_3256>? | The molecular formula for <BB_3256> (Clc1nnc(Cl)s1) is C2Cl2N2S. | |
Describe the ring structures in building block <BB_3256>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3256>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3256>. | **Token:** <BB_3256>
**SMILES:** Clc1nnc(Cl)s1
**Molecular Formula:** C2Cl2N2S
**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_3257>. | CC1(C)OB(c2ccccc2S(N)(=O)=O)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(c2ccccc2S(N)(=O)=O)OC1(C)C | <BB_3257> |
What is the molecular formula for <BB_3257>? | The molecular formula for <BB_3257> (CC1(C)OB(c2ccccc2S(N)(=O)=O)OC1(C)C) is C12H18BNO4S. | |
Describe the ring structures in building block <BB_3257>. | 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_3257>. | The molecule contains the following groups: Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_3257>. | **Token:** <BB_3257>
**SMILES:** CC1(C)OB(c2ccccc2S(N)(=O)=O)OC1(C)C
**Molecular Formula:** C12H18BNO4S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_3258>. | NC1CCCc2[nH]ncc21 | |
What is the building block token for the following molecule? | NC1CCCc2[nH]ncc21 | <BB_3258> |
What is the molecular formula for <BB_3258>? | The molecular formula for <BB_3258> (NC1CCCc2[nH]ncc21) is C7H11N3. | |
Describe the ring structures in building block <BB_3258>. | 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_3258>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_3258>. | **Token:** <BB_3258>
**SMILES:** NC1CCCc2[nH]ncc21
**Molecular Formula:** C7H11N3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_3259>. | C#Cc1cc(I)cc(C(=O)O)c1 | |
What is the building block token for the following molecule? | C#Cc1cc(I)cc(C(=O)O)c1 | <BB_3259> |
What is the molecular formula for <BB_3259>? | The molecular formula for <BB_3259> (C#Cc1cc(I)cc(C(=O)O)c1) is C9H5IO2. | |
Describe the ring structures in building block <BB_3259>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3259>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3259>. | **Token:** <BB_3259>
**SMILES:** C#Cc1cc(I)cc(C(=O)O)c1
**Molecular Formula:** C9H5IO2
**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_3260>. | COC(=O)C12CC(C(=O)O)(C1)C2(Cl)Cl | |
What is the building block token for the following molecule? | COC(=O)C12CC(C(=O)O)(C1)C2(Cl)Cl | <BB_3260> |
What is the molecular formula for <BB_3260>? | The molecular formula for <BB_3260> (COC(=O)C12CC(C(=O)O)(C1)C2(Cl)Cl) is C8H8Cl2O4. | |
Describe the ring structures in building block <BB_3260>. | 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_3260>. | The molecule contains the following groups: Carboxylic Acid, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3260>. | **Token:** <BB_3260>
**SMILES:** COC(=O)C12CC(C(=O)O)(C1)C2(Cl)Cl
**Molecular Formula:** C8H8Cl2O4
**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:** Carboxylic Acid, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3261>. | Cn1nc(NC(=O)C(F)(F)F)cc1C(F)(F)F | |
What is the building block token for the following molecule? | Cn1nc(NC(=O)C(F)(F)F)cc1C(F)(F)F | <BB_3261> |
What is the molecular formula for <BB_3261>? | The molecular formula for <BB_3261> (Cn1nc(NC(=O)C(F)(F)F)cc1C(F)(F)F) is C7H5F6N3O. | |
Describe the ring structures in building block <BB_3261>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3261>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3261>. | **Token:** <BB_3261>
**SMILES:** Cn1nc(NC(=O)C(F)(F)F)cc1C(F)(F)F
**Molecular Formula:** C7H5F6N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3262>. | CC(C)(C)C1(CN)CC1 | |
What is the building block token for the following molecule? | CC(C)(C)C1(CN)CC1 | <BB_3262> |
What is the molecular formula for <BB_3262>? | The molecular formula for <BB_3262> (CC(C)(C)C1(CN)CC1) is C8H17N. | |
Describe the ring structures in building block <BB_3262>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_3262>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_3262>. | **Token:** <BB_3262>
**SMILES:** CC(C)(C)C1(CN)CC1
**Molecular Formula:** C8H17N
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_3263>. | COC(=O)C1CC(OC)(c2ccc(O)cc2)C1 | |
What is the building block token for the following molecule? | COC(=O)C1CC(OC)(c2ccc(O)cc2)C1 | <BB_3263> |
What is the molecular formula for <BB_3263>? | The molecular formula for <BB_3263> (COC(=O)C1CC(OC)(c2ccc(O)cc2)C1) is C13H16O4. | |
Describe the ring structures in building block <BB_3263>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3263>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3263>. | **Token:** <BB_3263>
**SMILES:** COC(=O)C1CC(OC)(c2ccc(O)cc2)C1
**Molecular Formula:** C13H16O4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_3264>. | O=[N+]([O-])c1ccn(C2CCCC2)n1 | |
What is the building block token for the following molecule? | O=[N+]([O-])c1ccn(C2CCCC2)n1 | <BB_3264> |
What is the molecular formula for <BB_3264>? | The molecular formula for <BB_3264> (O=[N+]([O-])c1ccn(C2CCCC2)n1) is C8H11N3O2. | |
Describe the ring structures in building block <BB_3264>. | 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_3264>. | The molecule contains the following groups: Tertiary Amine, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_3264>. | **Token:** <BB_3264>
**SMILES:** O=[N+]([O-])c1ccn(C2CCCC2)n1
**Molecular Formula:** C8H11N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Tertiary Amine, Nitro | |
Provide the SMILES representation for the building block token <BB_3265>. | COC(=O)c1ccc2nc(C(F)(F)F)cn2c1 | |
What is the building block token for the following molecule? | COC(=O)c1ccc2nc(C(F)(F)F)cn2c1 | <BB_3265> |
What is the molecular formula for <BB_3265>? | The molecular formula for <BB_3265> (COC(=O)c1ccc2nc(C(F)(F)F)cn2c1) is C10H7F3N2O2. | |
Describe the ring structures in building block <BB_3265>. | 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_3265>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3265>. | **Token:** <BB_3265>
**SMILES:** COC(=O)c1ccc2nc(C(F)(F)F)cn2c1
**Molecular Formula:** C10H7F3N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3266>. | Cc1cccc(NC(=O)CO)c1 | |
What is the building block token for the following molecule? | Cc1cccc(NC(=O)CO)c1 | <BB_3266> |
What is the molecular formula for <BB_3266>? | The molecular formula for <BB_3266> (Cc1cccc(NC(=O)CO)c1) is C9H11NO2. | |
Describe the ring structures in building block <BB_3266>. | The molecule contains 1 ring(s): an aromatic ring of size 6. |
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