instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_3066>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3066>. | **Token:** <BB_3066>
**SMILES:** Fc1ccc2c(c1)sc1nc(-c3ccccc3)cn12
**Molecular Formula:** C15H9FN2S
**Ring System:** The molecule contains 4 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3067>. | CCC(C(=O)NN)n1nc(C)c(Br)c1C | |
What is the building block token for the following molecule? | CCC(C(=O)NN)n1nc(C)c(Br)c1C | <BB_3067> |
What is the molecular formula for <BB_3067>? | The molecular formula for <BB_3067> (CCC(C(=O)NN)n1nc(C)c(Br)c1C) is C9H15BrN4O. | |
Describe the ring structures in building block <BB_3067>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3067>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3067>. | **Token:** <BB_3067>
**SMILES:** CCC(C(=O)NN)n1nc(C)c(Br)c1C
**Molecular Formula:** C9H15BrN4O
**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_3068>. | COCC(C)(C)C(N)C(=O)O.Cl | |
What is the building block token for the following molecule? | COCC(C)(C)C(N)C(=O)O.Cl | <BB_3068> |
What is the molecular formula for <BB_3068>? | The molecular formula for <BB_3068> (COCC(C)(C)C(N)C(=O)O.Cl) is C7H16ClNO3. | |
Describe the ring structures in building block <BB_3068>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_3068>. | The molecule contains the following groups: Carboxylic Acid, Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3068>. | **Token:** <BB_3068>
**SMILES:** COCC(C)(C)C(N)C(=O)O.Cl
**Molecular Formula:** C7H16ClNO3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3069>. | Cl.NCCC1CCCS(=O)(=O)C1 | |
What is the building block token for the following molecule? | Cl.NCCC1CCCS(=O)(=O)C1 | <BB_3069> |
What is the molecular formula for <BB_3069>? | The molecular formula for <BB_3069> (Cl.NCCC1CCCS(=O)(=O)C1) is C7H16ClNO2S. | |
Describe the ring structures in building block <BB_3069>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_3069>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3069>. | **Token:** <BB_3069>
**SMILES:** Cl.NCCC1CCCS(=O)(=O)C1
**Molecular Formula:** C7H16ClNO2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3070>. | CC1(C2CCNCC2)OCCO1 | |
What is the building block token for the following molecule? | CC1(C2CCNCC2)OCCO1 | <BB_3070> |
What is the molecular formula for <BB_3070>? | The molecular formula for <BB_3070> (CC1(C2CCNCC2)OCCO1) is C9H17NO2. | |
Describe the ring structures in building block <BB_3070>. | 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_3070>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3070>. | **Token:** <BB_3070>
**SMILES:** CC1(C2CCNCC2)OCCO1
**Molecular Formula:** C9H17NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_3071>. | CC(N=C=S)c1ccccc1 | |
What is the building block token for the following molecule? | CC(N=C=S)c1ccccc1 | <BB_3071> |
What is the molecular formula for <BB_3071>? | The molecular formula for <BB_3071> (CC(N=C=S)c1ccccc1) is C9H9NS. | |
Describe the ring structures in building block <BB_3071>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3071>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_3071>. | **Token:** <BB_3071>
**SMILES:** CC(N=C=S)c1ccccc1
**Molecular Formula:** C9H9NS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_3072>. | Oc1cc(OC2CCCCC2)ccn1 | |
What is the building block token for the following molecule? | Oc1cc(OC2CCCCC2)ccn1 | <BB_3072> |
What is the molecular formula for <BB_3072>? | The molecular formula for <BB_3072> (Oc1cc(OC2CCCCC2)ccn1) is C11H15NO2. | |
Describe the ring structures in building block <BB_3072>. | 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_3072>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3072>. | **Token:** <BB_3072>
**SMILES:** Oc1cc(OC2CCCCC2)ccn1
**Molecular Formula:** C11H15NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_3073>. | Cn1cc(Br)c(CN2C(=O)c3ccccc3C2=O)n1 | |
What is the building block token for the following molecule? | Cn1cc(Br)c(CN2C(=O)c3ccccc3C2=O)n1 | <BB_3073> |
What is the molecular formula for <BB_3073>? | The molecular formula for <BB_3073> (Cn1cc(Br)c(CN2C(=O)c3ccccc3C2=O)n1) is C13H10BrN3O2. | |
Describe the ring structures in building block <BB_3073>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3073>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3073>. | **Token:** <BB_3073>
**SMILES:** Cn1cc(Br)c(CN2C(=O)c3ccccc3C2=O)n1
**Molecular Formula:** C13H10BrN3O2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3074>. | Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1 | |
What is the building block token for the following molecule? | Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1 | <BB_3074> |
What is the molecular formula for <BB_3074>? | The molecular formula for <BB_3074> (Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1) is C8H11N3O3S. | |
Describe the ring structures in building block <BB_3074>. | 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_3074>. | The molecule contains the following groups: Amine, Alcohol, Ether, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_3074>. | **Token:** <BB_3074>
**SMILES:** Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1
**Molecular Formula:** C8H11N3O3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Alcohol, Ether, Sulfide | |
Provide the SMILES representation for the building block token <BB_3075>. | c1ccc(CN2CCC(NC3CC3)CC2)cc1 | |
What is the building block token for the following molecule? | c1ccc(CN2CCC(NC3CC3)CC2)cc1 | <BB_3075> |
What is the molecular formula for <BB_3075>? | The molecular formula for <BB_3075> (c1ccc(CN2CCC(NC3CC3)CC2)cc1) is C15H22N2. | |
Describe the ring structures in building block <BB_3075>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_3075>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_3075>. | **Token:** <BB_3075>
**SMILES:** c1ccc(CN2CCC(NC3CC3)CC2)cc1
**Molecular Formula:** C15H22N2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Secondary Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_3076>. | CC(=O)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 | |
What is the building block token for the following molecule? | CC(=O)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 | <BB_3076> |
What is the molecular formula for <BB_3076>? | The molecular formula for <BB_3076> (CC(=O)c1ccc(S(=O)(=O)NCCCN(C)C)cc1) is C13H20N2O3S. | |
Describe the ring structures in building block <BB_3076>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3076>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Ketone, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_3076>. | **Token:** <BB_3076>
**SMILES:** CC(=O)c1ccc(S(=O)(=O)NCCCN(C)C)cc1
**Molecular Formula:** C13H20N2O3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Ketone, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_3077>. | CC(C)(C)OC(=O)C1CC2(CCC(CI)O2)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)C1CC2(CCC(CI)O2)C1 | <BB_3077> |
What is the molecular formula for <BB_3077>? | The molecular formula for <BB_3077> (CC(C)(C)OC(=O)C1CC2(CCC(CI)O2)C1) is C13H21IO3. | |
Describe the ring structures in building block <BB_3077>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_3077>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3077>. | **Token:** <BB_3077>
**SMILES:** CC(C)(C)OC(=O)C1CC2(CCC(CI)O2)C1
**Molecular Formula:** C13H21IO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3078>. | Cn1cnc2c(B3OC(C)(C)C(C)(C)O3)cccc21 | |
What is the building block token for the following molecule? | Cn1cnc2c(B3OC(C)(C)C(C)(C)O3)cccc21 | <BB_3078> |
What is the molecular formula for <BB_3078>? | The molecular formula for <BB_3078> (Cn1cnc2c(B3OC(C)(C)C(C)(C)O3)cccc21) is C14H19BN2O2. | |
Describe the ring structures in building block <BB_3078>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3078>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_3078>. | **Token:** <BB_3078>
**SMILES:** Cn1cnc2c(B3OC(C)(C)C(C)(C)O3)cccc21
**Molecular Formula:** C14H19BN2O2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_3079>. | NCC1=COCCO1 | |
What is the building block token for the following molecule? | NCC1=COCCO1 | <BB_3079> |
What is the molecular formula for <BB_3079>? | The molecular formula for <BB_3079> (NCC1=COCCO1) is C5H9NO2. | |
Describe the ring structures in building block <BB_3079>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_3079>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3079>. | **Token:** <BB_3079>
**SMILES:** NCC1=COCCO1
**Molecular Formula:** C5H9NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_3080>. | NC(=O)NC(CC(=O)O)c1cccc(Br)c1 | |
What is the building block token for the following molecule? | NC(=O)NC(CC(=O)O)c1cccc(Br)c1 | <BB_3080> |
What is the molecular formula for <BB_3080>? | The molecular formula for <BB_3080> (NC(=O)NC(CC(=O)O)c1cccc(Br)c1) is C10H11BrN2O3. | |
Describe the ring structures in building block <BB_3080>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3080>. | The molecule contains the following groups: Carboxylic Acid, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3080>. | **Token:** <BB_3080>
**SMILES:** NC(=O)NC(CC(=O)O)c1cccc(Br)c1
**Molecular Formula:** C10H11BrN2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3081>. | Cc1cccc(CN)c1 | |
What is the building block token for the following molecule? | Cc1cccc(CN)c1 | <BB_3081> |
What is the molecular formula for <BB_3081>? | The molecular formula for <BB_3081> (Cc1cccc(CN)c1) is C8H11N. | |
Describe the ring structures in building block <BB_3081>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3081>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_3081>. | **Token:** <BB_3081>
**SMILES:** Cc1cccc(CN)c1
**Molecular Formula:** C8H11N
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_3082>. | CC(F)(F)c1nnc(Br)o1 | |
What is the building block token for the following molecule? | CC(F)(F)c1nnc(Br)o1 | <BB_3082> |
What is the molecular formula for <BB_3082>? | The molecular formula for <BB_3082> (CC(F)(F)c1nnc(Br)o1) is C4H3BrF2N2O. | |
Describe the ring structures in building block <BB_3082>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3082>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3082>. | **Token:** <BB_3082>
**SMILES:** CC(F)(F)c1nnc(Br)o1
**Molecular Formula:** C4H3BrF2N2O
**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_3083>. | CNCC(O)COc1ccc2c(c1)OCO2 | |
What is the building block token for the following molecule? | CNCC(O)COc1ccc2c(c1)OCO2 | <BB_3083> |
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