instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_3050>. | CCCNS(=O)(=O)c1ccc(F)cc1 | |
What is the building block token for the following molecule? | CCCNS(=O)(=O)c1ccc(F)cc1 | <BB_3050> |
What is the molecular formula for <BB_3050>? | The molecular formula for <BB_3050> (CCCNS(=O)(=O)c1ccc(F)cc1) is C9H12FNO2S. | |
Describe the ring structures in building block <BB_3050>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3050>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_3050>. | **Token:** <BB_3050>
**SMILES:** CCCNS(=O)(=O)c1ccc(F)cc1
**Molecular Formula:** C9H12FNO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_3051>. | CN1CCCC2(CCNC2)C1 | |
What is the building block token for the following molecule? | CN1CCCC2(CCNC2)C1 | <BB_3051> |
What is the molecular formula for <BB_3051>? | The molecular formula for <BB_3051> (CN1CCCC2(CCNC2)C1) is C9H18N2. | |
Describe the ring structures in building block <BB_3051>. | 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_3051>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_3051>. | **Token:** <BB_3051>
**SMILES:** CN1CCCC2(CCNC2)C1
**Molecular Formula:** C9H18N2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_3052>. | O=C(NCC1(F)CCC1)c1ccccc1 | |
What is the building block token for the following molecule? | O=C(NCC1(F)CCC1)c1ccccc1 | <BB_3052> |
What is the molecular formula for <BB_3052>? | The molecular formula for <BB_3052> (O=C(NCC1(F)CCC1)c1ccccc1) is C12H14FNO. | |
Describe the ring structures in building block <BB_3052>. | 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_3052>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3052>. | **Token:** <BB_3052>
**SMILES:** O=C(NCC1(F)CCC1)c1ccccc1
**Molecular Formula:** C12H14FNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3053>. | CC1CCCC1C | |
What is the building block token for the following molecule? | CC1CCCC1C | <BB_3053> |
What is the molecular formula for <BB_3053>? | The molecular formula for <BB_3053> (CC1CCCC1C) is C7H14. | |
Describe the ring structures in building block <BB_3053>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_3053>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_3053>. | **Token:** <BB_3053>
**SMILES:** CC1CCCC1C
**Molecular Formula:** C7H14
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_3054>. | CC1(C)CCCN(c2ccnc(Cl)n2)C1 | |
What is the building block token for the following molecule? | CC1(C)CCCN(c2ccnc(Cl)n2)C1 | <BB_3054> |
What is the molecular formula for <BB_3054>? | The molecular formula for <BB_3054> (CC1(C)CCCN(c2ccnc(Cl)n2)C1) is C11H16ClN3. | |
Describe the ring structures in building block <BB_3054>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3054>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3054>. | **Token:** <BB_3054>
**SMILES:** CC1(C)CCCN(c2ccnc(Cl)n2)C1
**Molecular Formula:** C11H16ClN3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3055>. | CC(C)(C)OC(=O)Nc1cncc(F)c1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)Nc1cncc(F)c1 | <BB_3055> |
What is the molecular formula for <BB_3055>? | The molecular formula for <BB_3055> (CC(C)(C)OC(=O)Nc1cncc(F)c1) is C10H13FN2O2. | |
Describe the ring structures in building block <BB_3055>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3055>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3055>. | **Token:** <BB_3055>
**SMILES:** CC(C)(C)OC(=O)Nc1cncc(F)c1
**Molecular Formula:** C10H13FN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3056>. | COc1ccc2c(c1)C(CO)NCC2.Cl | |
What is the building block token for the following molecule? | COc1ccc2c(c1)C(CO)NCC2.Cl | <BB_3056> |
What is the molecular formula for <BB_3056>? | The molecular formula for <BB_3056> (COc1ccc2c(c1)C(CO)NCC2.Cl) is C11H16ClNO2. | |
Describe the ring structures in building block <BB_3056>. | 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_3056>. | The molecule contains the following groups: Secondary Amine, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3056>. | **Token:** <BB_3056>
**SMILES:** COc1ccc2c(c1)C(CO)NCC2.Cl
**Molecular Formula:** C11H16ClNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3057>. | Brc1cccc(OC2CC2)c1 | |
What is the building block token for the following molecule? | Brc1cccc(OC2CC2)c1 | <BB_3057> |
What is the molecular formula for <BB_3057>? | The molecular formula for <BB_3057> (Brc1cccc(OC2CC2)c1) is C9H9BrO. | |
Describe the ring structures in building block <BB_3057>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_3057>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3057>. | **Token:** <BB_3057>
**SMILES:** Brc1cccc(OC2CC2)c1
**Molecular Formula:** C9H9BrO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3058>. | CC1(c2ccc(C#N)cc2)NC(=O)NC1=O | |
What is the building block token for the following molecule? | CC1(c2ccc(C#N)cc2)NC(=O)NC1=O | <BB_3058> |
What is the molecular formula for <BB_3058>? | The molecular formula for <BB_3058> (CC1(c2ccc(C#N)cc2)NC(=O)NC1=O) is C11H9N3O2. | |
Describe the ring structures in building block <BB_3058>. | 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_3058>. | The molecule contains the following groups: Amide, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_3058>. | **Token:** <BB_3058>
**SMILES:** CC1(c2ccc(C#N)cc2)NC(=O)NC1=O
**Molecular Formula:** C11H9N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amide, Nitrile | |
Provide the SMILES representation for the building block token <BB_3059>. | NC(=O)c1ccc2c(n1)NCCC2 | |
What is the building block token for the following molecule? | NC(=O)c1ccc2c(n1)NCCC2 | <BB_3059> |
What is the molecular formula for <BB_3059>? | The molecular formula for <BB_3059> (NC(=O)c1ccc2c(n1)NCCC2) is C9H11N3O. | |
Describe the ring structures in building block <BB_3059>. | 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_3059>. | The molecule contains the following groups: Secondary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_3059>. | **Token:** <BB_3059>
**SMILES:** NC(=O)c1ccc2c(n1)NCCC2
**Molecular Formula:** C9H11N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide | |
Provide the SMILES representation for the building block token <BB_3060>. | CON(C)C(=O)CN | |
What is the building block token for the following molecule? | CON(C)C(=O)CN | <BB_3060> |
What is the molecular formula for <BB_3060>? | The molecular formula for <BB_3060> (CON(C)C(=O)CN) is C4H10N2O2. | |
Describe the ring structures in building block <BB_3060>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_3060>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_3060>. | **Token:** <BB_3060>
**SMILES:** CON(C)C(=O)CN
**Molecular Formula:** C4H10N2O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_3061>. | COC(=O)CS(=O)(=O)c1ccc(OC)cc1 | |
What is the building block token for the following molecule? | COC(=O)CS(=O)(=O)c1ccc(OC)cc1 | <BB_3061> |
What is the molecular formula for <BB_3061>? | The molecular formula for <BB_3061> (COC(=O)CS(=O)(=O)c1ccc(OC)cc1) is C10H12O5S. | |
Describe the ring structures in building block <BB_3061>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3061>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3061>. | **Token:** <BB_3061>
**SMILES:** COC(=O)CS(=O)(=O)c1ccc(OC)cc1
**Molecular Formula:** C10H12O5S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_3062>. | Cl.NC1Cc2ccccc2C1=O | |
What is the building block token for the following molecule? | Cl.NC1Cc2ccccc2C1=O | <BB_3062> |
What is the molecular formula for <BB_3062>? | The molecular formula for <BB_3062> (Cl.NC1Cc2ccccc2C1=O) is C9H10ClNO. | |
Describe the ring structures in building block <BB_3062>. | 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_3062>. | The molecule contains the following groups: Amine, Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3062>. | **Token:** <BB_3062>
**SMILES:** Cl.NC1Cc2ccccc2C1=O
**Molecular Formula:** C9H10ClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3063>. | OC1CC(CC(F)(F)F)C1 | |
What is the building block token for the following molecule? | OC1CC(CC(F)(F)F)C1 | <BB_3063> |
What is the molecular formula for <BB_3063>? | The molecular formula for <BB_3063> (OC1CC(CC(F)(F)F)C1) is C6H9F3O. | |
Describe the ring structures in building block <BB_3063>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_3063>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3063>. | **Token:** <BB_3063>
**SMILES:** OC1CC(CC(F)(F)F)C1
**Molecular Formula:** C6H9F3O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3064>. | C=C(B1OC(C)(C)C(C)(C)O1)C1CCCCC1 | |
What is the building block token for the following molecule? | C=C(B1OC(C)(C)C(C)(C)O1)C1CCCCC1 | <BB_3064> |
What is the molecular formula for <BB_3064>? | The molecular formula for <BB_3064> (C=C(B1OC(C)(C)C(C)(C)O1)C1CCCCC1) is C14H25BO2. | |
Describe the ring structures in building block <BB_3064>. | 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_3064>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_3064>. | **Token:** <BB_3064>
**SMILES:** C=C(B1OC(C)(C)C(C)(C)O1)C1CCCCC1
**Molecular Formula:** C14H25BO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_3065>. | CCc1nc(C)ccc1N | |
What is the building block token for the following molecule? | CCc1nc(C)ccc1N | <BB_3065> |
What is the molecular formula for <BB_3065>? | The molecular formula for <BB_3065> (CCc1nc(C)ccc1N) is C8H12N2. | |
Describe the ring structures in building block <BB_3065>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3065>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_3065>. | **Token:** <BB_3065>
**SMILES:** CCc1nc(C)ccc1N
**Molecular Formula:** C8H12N2
**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_3066>. | Fc1ccc2c(c1)sc1nc(-c3ccccc3)cn12 | |
What is the building block token for the following molecule? | Fc1ccc2c(c1)sc1nc(-c3ccccc3)cn12 | <BB_3066> |
What is the molecular formula for <BB_3066>? | The molecular formula for <BB_3066> (Fc1ccc2c(c1)sc1nc(-c3ccccc3)cn12) is C15H9FN2S. | |
Describe the ring structures in building block <BB_3066>. | 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. |
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