instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_9416>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9416>. | **Token:** <BB_9416>
**SMILES:** O=C(O)c1cc(F)cnc1NC1CC(F)(F)C1
**Molecular Formula:** C10H9F3N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9417>. | CC(=O)Nc1ccccc1O | |
What is the building block token for the following molecule? | CC(=O)Nc1ccccc1O | <BB_9417> |
What is the molecular formula for <BB_9417>? | The molecular formula for <BB_9417> (CC(=O)Nc1ccccc1O) is C8H9NO2. | |
Describe the ring structures in building block <BB_9417>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9417>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9417>. | **Token:** <BB_9417>
**SMILES:** CC(=O)Nc1ccccc1O
**Molecular Formula:** C8H9NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_9418>. | COCCCCC[B-](F)(F)F.[K+] | |
What is the building block token for the following molecule? | COCCCCC[B-](F)(F)F.[K+] | <BB_9418> |
What is the molecular formula for <BB_9418>? | The molecular formula for <BB_9418> (COCCCCC[B-](F)(F)F.[K+]) is C6H13BF3KO. | |
Describe the ring structures in building block <BB_9418>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9418>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9418>. | **Token:** <BB_9418>
**SMILES:** COCCCCC[B-](F)(F)F.[K+]
**Molecular Formula:** C6H13BF3KO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9419>. | Cl.FC(F)(F)c1ccnc(C2CNC2)n1 | |
What is the building block token for the following molecule? | Cl.FC(F)(F)c1ccnc(C2CNC2)n1 | <BB_9419> |
What is the molecular formula for <BB_9419>? | The molecular formula for <BB_9419> (Cl.FC(F)(F)c1ccnc(C2CNC2)n1) is C8H9ClF3N3. | |
Describe the ring structures in building block <BB_9419>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9419>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9419>. | **Token:** <BB_9419>
**SMILES:** Cl.FC(F)(F)c1ccnc(C2CNC2)n1
**Molecular Formula:** C8H9ClF3N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9420>. | Br.NNC1=NC2CCCCC2N1 | |
What is the building block token for the following molecule? | Br.NNC1=NC2CCCCC2N1 | <BB_9420> |
What is the molecular formula for <BB_9420>? | The molecular formula for <BB_9420> (Br.NNC1=NC2CCCCC2N1) is C7H15BrN4. | |
Describe the ring structures in building block <BB_9420>. | 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_9420>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9420>. | **Token:** <BB_9420>
**SMILES:** Br.NNC1=NC2CCCCC2N1
**Molecular Formula:** C7H15BrN4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9421>. | CC1(C)OB(c2ccc(F)c(C3CC3)c2)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(c2ccc(F)c(C3CC3)c2)OC1(C)C | <BB_9421> |
What is the molecular formula for <BB_9421>? | The molecular formula for <BB_9421> (CC1(C)OB(c2ccc(F)c(C3CC3)c2)OC1(C)C) is C15H20BFO2. | |
Describe the ring structures in building block <BB_9421>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9421>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9421>. | **Token:** <BB_9421>
**SMILES:** CC1(C)OB(c2ccc(F)c(C3CC3)c2)OC1(C)C
**Molecular Formula:** C15H20BFO2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9422>. | O=Nc1ccc(O)cc1Br | |
What is the building block token for the following molecule? | O=Nc1ccc(O)cc1Br | <BB_9422> |
What is the molecular formula for <BB_9422>? | The molecular formula for <BB_9422> (O=Nc1ccc(O)cc1Br) is C6H4BrNO2. | |
Describe the ring structures in building block <BB_9422>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9422>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9422>. | **Token:** <BB_9422>
**SMILES:** O=Nc1ccc(O)cc1Br
**Molecular Formula:** C6H4BrNO2
**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_9423>. | CCCCCCCCCCCCI | |
What is the building block token for the following molecule? | CCCCCCCCCCCCI | <BB_9423> |
What is the molecular formula for <BB_9423>? | The molecular formula for <BB_9423> (CCCCCCCCCCCCI) is C12H25I. | |
Describe the ring structures in building block <BB_9423>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9423>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9423>. | **Token:** <BB_9423>
**SMILES:** CCCCCCCCCCCCI
**Molecular Formula:** C12H25I
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9424>. | Cc1ccnc(Oc2ccc(CC(=O)O)cc2)c1 | |
What is the building block token for the following molecule? | Cc1ccnc(Oc2ccc(CC(=O)O)cc2)c1 | <BB_9424> |
What is the molecular formula for <BB_9424>? | The molecular formula for <BB_9424> (Cc1ccnc(Oc2ccc(CC(=O)O)cc2)c1) is C14H13NO3. | |
Describe the ring structures in building block <BB_9424>. | 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_9424>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9424>. | **Token:** <BB_9424>
**SMILES:** Cc1ccnc(Oc2ccc(CC(=O)O)cc2)c1
**Molecular Formula:** C14H13NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_9425>. | CNC1CC2(CC2)C1.Cl | |
What is the building block token for the following molecule? | CNC1CC2(CC2)C1.Cl | <BB_9425> |
What is the molecular formula for <BB_9425>? | The molecular formula for <BB_9425> (CNC1CC2(CC2)C1.Cl) is C7H14ClN. | |
Describe the ring structures in building block <BB_9425>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9425>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9425>. | **Token:** <BB_9425>
**SMILES:** CNC1CC2(CC2)C1.Cl
**Molecular Formula:** C7H14ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 3.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9426>. | CCOC(=O)c1ncn2c(C)cc(C)nc12 | |
What is the building block token for the following molecule? | CCOC(=O)c1ncn2c(C)cc(C)nc12 | <BB_9426> |
What is the molecular formula for <BB_9426>? | The molecular formula for <BB_9426> (CCOC(=O)c1ncn2c(C)cc(C)nc12) is C11H13N3O2. | |
Describe the ring structures in building block <BB_9426>. | 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_9426>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9426>. | **Token:** <BB_9426>
**SMILES:** CCOC(=O)c1ncn2c(C)cc(C)nc12
**Molecular Formula:** C11H13N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_9427>. | CSCCC=O | |
What is the building block token for the following molecule? | CSCCC=O | <BB_9427> |
What is the molecular formula for <BB_9427>? | The molecular formula for <BB_9427> (CSCCC=O) is C4H8OS. | |
Describe the ring structures in building block <BB_9427>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9427>. | The molecule contains the following groups: Aldehyde, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_9427>. | **Token:** <BB_9427>
**SMILES:** CSCCC=O
**Molecular Formula:** C4H8OS
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Aldehyde, Sulfide | |
Provide the SMILES representation for the building block token <BB_9428>. | [N-]=[N+]=NCc1cccnn1 | |
What is the building block token for the following molecule? | [N-]=[N+]=NCc1cccnn1 | <BB_9428> |
What is the molecular formula for <BB_9428>? | The molecular formula for <BB_9428> ([N-]=[N+]=NCc1cccnn1) is C5H5N5. | |
Describe the ring structures in building block <BB_9428>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9428>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9428>. | **Token:** <BB_9428>
**SMILES:** [N-]=[N+]=NCc1cccnn1
**Molecular Formula:** C5H5N5
**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_9429>. | CC(N)c1c(F)cccc1F.Cl | |
What is the building block token for the following molecule? | CC(N)c1c(F)cccc1F.Cl | <BB_9429> |
What is the molecular formula for <BB_9429>? | The molecular formula for <BB_9429> (CC(N)c1c(F)cccc1F.Cl) is C8H10ClF2N. | |
Describe the ring structures in building block <BB_9429>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9429>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9429>. | **Token:** <BB_9429>
**SMILES:** CC(N)c1c(F)cccc1F.Cl
**Molecular Formula:** C8H10ClF2N
**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_9430>. | COCC1(C)CCNCC1 | |
What is the building block token for the following molecule? | COCC1(C)CCNCC1 | <BB_9430> |
What is the molecular formula for <BB_9430>? | The molecular formula for <BB_9430> (COCC1(C)CCNCC1) is C8H17NO. | |
Describe the ring structures in building block <BB_9430>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9430>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9430>. | **Token:** <BB_9430>
**SMILES:** COCC1(C)CCNCC1
**Molecular Formula:** C8H17NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9431>. | Cc1nc2ccc(C=O)cc2o1 | |
What is the building block token for the following molecule? | Cc1nc2ccc(C=O)cc2o1 | <BB_9431> |
What is the molecular formula for <BB_9431>? | The molecular formula for <BB_9431> (Cc1nc2ccc(C=O)cc2o1) is C9H7NO2. | |
Describe the ring structures in building block <BB_9431>. | 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_9431>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_9431>. | **Token:** <BB_9431>
**SMILES:** Cc1nc2ccc(C=O)cc2o1
**Molecular Formula:** C9H7NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_9432>. | Cl.Cl.N#Cc1cccc(-c2c[nH]c(CN)n2)c1 | |
What is the building block token for the following molecule? | Cl.Cl.N#Cc1cccc(-c2c[nH]c(CN)n2)c1 | <BB_9432> |
What is the molecular formula for <BB_9432>? | The molecular formula for <BB_9432> (Cl.Cl.N#Cc1cccc(-c2c[nH]c(CN)n2)c1) is C11H12Cl2N4. | |
Describe the ring structures in building block <BB_9432>. | 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_9432>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9432>. | **Token:** <BB_9432>
**SMILES:** Cl.Cl.N#Cc1cccc(-c2c[nH]c(CN)n2)c1
**Molecular Formula:** C11H12Cl2N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_9433>. | CCC(C)Oc1cc(C(=O)O)ccn1 | |
What is the building block token for the following molecule? | CCC(C)Oc1cc(C(=O)O)ccn1 | <BB_9433> |
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