instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_2466>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2466>. | **Token:** <BB_2466>
**SMILES:** CN(C)NC1CCS(=O)(=O)C1.Cl
**Molecular Formula:** C6H15ClN2O2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2467>. | COc1ccc(O)cn1 | |
What is the building block token for the following molecule? | COc1ccc(O)cn1 | <BB_2467> |
What is the molecular formula for <BB_2467>? | The molecular formula for <BB_2467> (COc1ccc(O)cn1) is C6H7NO2. | |
Describe the ring structures in building block <BB_2467>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2467>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2467>. | **Token:** <BB_2467>
**SMILES:** COc1ccc(O)cn1
**Molecular Formula:** C6H7NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_2468>. | Cl.NCC1=NO[C@@H]2COC[C@H]12 | |
What is the building block token for the following molecule? | Cl.NCC1=NO[C@@H]2COC[C@H]12 | <BB_2468> |
What is the molecular formula for <BB_2468>? | The molecular formula for <BB_2468> (Cl.NCC1=NO[C@@H]2COC[C@H]12) is C6H11ClN2O2. | |
Describe the ring structures in building block <BB_2468>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2468>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2468>. | **Token:** <BB_2468>
**SMILES:** Cl.NCC1=NO[C@@H]2COC[C@H]12
**Molecular Formula:** C6H11ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2469>. | [C-]#[N+]c1c(C)cc(Br)cc1C | |
What is the building block token for the following molecule? | [C-]#[N+]c1c(C)cc(Br)cc1C | <BB_2469> |
What is the molecular formula for <BB_2469>? | The molecular formula for <BB_2469> ([C-]#[N+]c1c(C)cc(Br)cc1C) is C9H8BrN. | |
Describe the ring structures in building block <BB_2469>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2469>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2469>. | **Token:** <BB_2469>
**SMILES:** [C-]#[N+]c1c(C)cc(Br)cc1C
**Molecular Formula:** C9H8BrN
**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_2470>. | CC(C)(C)OC(=O)N1CCC(CON)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC(CON)C1 | <BB_2470> |
What is the molecular formula for <BB_2470>? | The molecular formula for <BB_2470> (CC(C)(C)OC(=O)N1CCC(CON)C1) is C10H20N2O3. | |
Describe the ring structures in building block <BB_2470>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2470>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2470>. | **Token:** <BB_2470>
**SMILES:** CC(C)(C)OC(=O)N1CCC(CON)C1
**Molecular Formula:** C10H20N2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2471>. | N#CCc1cccc(OC(F)F)c1 | |
What is the building block token for the following molecule? | N#CCc1cccc(OC(F)F)c1 | <BB_2471> |
What is the molecular formula for <BB_2471>? | The molecular formula for <BB_2471> (N#CCc1cccc(OC(F)F)c1) is C9H7F2NO. | |
Describe the ring structures in building block <BB_2471>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2471>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2471>. | **Token:** <BB_2471>
**SMILES:** N#CCc1cccc(OC(F)F)c1
**Molecular Formula:** C9H7F2NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_2472>. | O=C(O)c1cn(C(F)(F)F)ccc1=O | |
What is the building block token for the following molecule? | O=C(O)c1cn(C(F)(F)F)ccc1=O | <BB_2472> |
What is the molecular formula for <BB_2472>? | The molecular formula for <BB_2472> (O=C(O)c1cn(C(F)(F)F)ccc1=O) is C7H4F3NO3. | |
Describe the ring structures in building block <BB_2472>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2472>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2472>. | **Token:** <BB_2472>
**SMILES:** O=C(O)c1cn(C(F)(F)F)ccc1=O
**Molecular Formula:** C7H4F3NO3
**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_2473>. | CCOC(=O)C1CCC(=O)C(C(F)(F)F)CC1 | |
What is the building block token for the following molecule? | CCOC(=O)C1CCC(=O)C(C(F)(F)F)CC1 | <BB_2473> |
What is the molecular formula for <BB_2473>? | The molecular formula for <BB_2473> (CCOC(=O)C1CCC(=O)C(C(F)(F)F)CC1) is C11H15F3O3. | |
Describe the ring structures in building block <BB_2473>. | The molecule contains 1 ring(s): an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_2473>. | The molecule contains the following groups: Ester, Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2473>. | **Token:** <BB_2473>
**SMILES:** CCOC(=O)C1CCC(=O)C(C(F)(F)F)CC1
**Molecular Formula:** C11H15F3O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Ester, Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2474>. | CCOC(=O)CNCP(C)(C)=O.Cl | |
What is the building block token for the following molecule? | CCOC(=O)CNCP(C)(C)=O.Cl | <BB_2474> |
What is the molecular formula for <BB_2474>? | The molecular formula for <BB_2474> (CCOC(=O)CNCP(C)(C)=O.Cl) is C7H17ClNO3P. | |
Describe the ring structures in building block <BB_2474>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2474>. | 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_2474>. | **Token:** <BB_2474>
**SMILES:** CCOC(=O)CNCP(C)(C)=O.Cl
**Molecular Formula:** C7H17ClNO3P
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2475>. | Cc1cc(=O)[nH]c(N2CCC(N)C2)n1.Cl.Cl | |
What is the building block token for the following molecule? | Cc1cc(=O)[nH]c(N2CCC(N)C2)n1.Cl.Cl | <BB_2475> |
What is the molecular formula for <BB_2475>? | The molecular formula for <BB_2475> (Cc1cc(=O)[nH]c(N2CCC(N)C2)n1.Cl.Cl) is C9H16Cl2N4O. | |
Describe the ring structures in building block <BB_2475>. | 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_2475>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2475>. | **Token:** <BB_2475>
**SMILES:** Cc1cc(=O)[nH]c(N2CCC(N)C2)n1.Cl.Cl
**Molecular Formula:** C9H16Cl2N4O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2476>. | C#Cc1c(F)cc(Cl)cc1F | |
What is the building block token for the following molecule? | C#Cc1c(F)cc(Cl)cc1F | <BB_2476> |
What is the molecular formula for <BB_2476>? | The molecular formula for <BB_2476> (C#Cc1c(F)cc(Cl)cc1F) is C8H3ClF2. | |
Describe the ring structures in building block <BB_2476>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2476>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2476>. | **Token:** <BB_2476>
**SMILES:** C#Cc1c(F)cc(Cl)cc1F
**Molecular Formula:** C8H3ClF2
**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_2477>. | CC(C)Cn1ccc(B2OC(C)(C)C(C)(C)O2)n1 | |
What is the building block token for the following molecule? | CC(C)Cn1ccc(B2OC(C)(C)C(C)(C)O2)n1 | <BB_2477> |
What is the molecular formula for <BB_2477>? | The molecular formula for <BB_2477> (CC(C)Cn1ccc(B2OC(C)(C)C(C)(C)O2)n1) is C13H23BN2O2. | |
Describe the ring structures in building block <BB_2477>. | 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_2477>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2477>. | **Token:** <BB_2477>
**SMILES:** CC(C)Cn1ccc(B2OC(C)(C)C(C)(C)O2)n1
**Molecular Formula:** C13H23BN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2478>. | CC(C)(C#N)CN | |
What is the building block token for the following molecule? | CC(C)(C#N)CN | <BB_2478> |
What is the molecular formula for <BB_2478>? | The molecular formula for <BB_2478> (CC(C)(C#N)CN) is C5H10N2. | |
Describe the ring structures in building block <BB_2478>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2478>. | The molecule contains the following groups: Amine, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2478>. | **Token:** <BB_2478>
**SMILES:** CC(C)(C#N)CN
**Molecular Formula:** C5H10N2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Nitrile | |
Provide the SMILES representation for the building block token <BB_2479>. | CC(C)(C(=O)O)N1CCOCC1=O | |
What is the building block token for the following molecule? | CC(C)(C(=O)O)N1CCOCC1=O | <BB_2479> |
What is the molecular formula for <BB_2479>? | The molecular formula for <BB_2479> (CC(C)(C(=O)O)N1CCOCC1=O) is C8H13NO4. | |
Describe the ring structures in building block <BB_2479>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2479>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2479>. | **Token:** <BB_2479>
**SMILES:** CC(C)(C(=O)O)N1CCOCC1=O
**Molecular Formula:** C8H13NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2480>. | CS(=O)(=O)CCCCCO | |
What is the building block token for the following molecule? | CS(=O)(=O)CCCCCO | <BB_2480> |
What is the molecular formula for <BB_2480>? | The molecular formula for <BB_2480> (CS(=O)(=O)CCCCCO) is C6H14O3S. | |
Describe the ring structures in building block <BB_2480>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2480>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2480>. | **Token:** <BB_2480>
**SMILES:** CS(=O)(=O)CCCCCO
**Molecular Formula:** C6H14O3S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_2481>. | O=C(O)c1cccc2nccnc12 | |
What is the building block token for the following molecule? | O=C(O)c1cccc2nccnc12 | <BB_2481> |
What is the molecular formula for <BB_2481>? | The molecular formula for <BB_2481> (O=C(O)c1cccc2nccnc12) is C9H6N2O2. | |
Describe the ring structures in building block <BB_2481>. | 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_2481>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2481>. | **Token:** <BB_2481>
**SMILES:** O=C(O)c1cccc2nccnc12
**Molecular Formula:** C9H6N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2482>. | CC(O)CCl | |
What is the building block token for the following molecule? | CC(O)CCl | <BB_2482> |
What is the molecular formula for <BB_2482>? | The molecular formula for <BB_2482> (CC(O)CCl) is C3H7ClO. | |
Describe the ring structures in building block <BB_2482>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2482>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2482>. | **Token:** <BB_2482>
**SMILES:** CC(O)CCl
**Molecular Formula:** C3H7ClO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2483>. | Nc1cc(Br)cc2c1OCO2 | |
What is the building block token for the following molecule? | Nc1cc(Br)cc2c1OCO2 | <BB_2483> |
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