instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_9633>? | The molecular formula for <BB_9633> (CS(=O)(=NC(N)=S)c1cccc(Br)c1) is C8H9BrN2OS2. | |
Describe the ring structures in building block <BB_9633>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9633>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9633>. | **Token:** <BB_9633>
**SMILES:** CS(=O)(=NC(N)=S)c1cccc(Br)c1
**Molecular Formula:** C8H9BrN2OS2
**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_9634>. | Fc1cc(Br)ccc1OC(F)F | |
What is the building block token for the following molecule? | Fc1cc(Br)ccc1OC(F)F | <BB_9634> |
What is the molecular formula for <BB_9634>? | The molecular formula for <BB_9634> (Fc1cc(Br)ccc1OC(F)F) is C7H4BrF3O. | |
Describe the ring structures in building block <BB_9634>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9634>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9634>. | **Token:** <BB_9634>
**SMILES:** Fc1cc(Br)ccc1OC(F)F
**Molecular Formula:** C7H4BrF3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9635>. | N#CCC(=O)CC1CC1 | |
What is the building block token for the following molecule? | N#CCC(=O)CC1CC1 | <BB_9635> |
What is the molecular formula for <BB_9635>? | The molecular formula for <BB_9635> (N#CCC(=O)CC1CC1) is C7H9NO. | |
Describe the ring structures in building block <BB_9635>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9635>. | The molecule contains the following groups: Ketone, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9635>. | **Token:** <BB_9635>
**SMILES:** N#CCC(=O)CC1CC1
**Molecular Formula:** C7H9NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Ketone, Nitrile | |
Provide the SMILES representation for the building block token <BB_9636>. | COC(=O)C1(C(=O)O)C=CCC1 | |
What is the building block token for the following molecule? | COC(=O)C1(C(=O)O)C=CCC1 | <BB_9636> |
What is the molecular formula for <BB_9636>? | The molecular formula for <BB_9636> (COC(=O)C1(C(=O)O)C=CCC1) is C8H10O4. | |
Describe the ring structures in building block <BB_9636>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9636>. | The molecule contains the following groups: Carboxylic Acid, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9636>. | **Token:** <BB_9636>
**SMILES:** COC(=O)C1(C(=O)O)C=CCC1
**Molecular Formula:** C8H10O4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_9637>. | O=c1nc(NCc2ccco2)cc[nH]1 | |
What is the building block token for the following molecule? | O=c1nc(NCc2ccco2)cc[nH]1 | <BB_9637> |
What is the molecular formula for <BB_9637>? | The molecular formula for <BB_9637> (O=c1nc(NCc2ccco2)cc[nH]1) is C9H9N3O2. | |
Describe the ring structures in building block <BB_9637>. | 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_9637>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9637>. | **Token:** <BB_9637>
**SMILES:** O=c1nc(NCc2ccco2)cc[nH]1
**Molecular Formula:** C9H9N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_9638>. | CN(C)CCCNC(=O)C1CCNCC1 | |
What is the building block token for the following molecule? | CN(C)CCCNC(=O)C1CCNCC1 | <BB_9638> |
What is the molecular formula for <BB_9638>? | The molecular formula for <BB_9638> (CN(C)CCCNC(=O)C1CCNCC1) is C11H23N3O. | |
Describe the ring structures in building block <BB_9638>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9638>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9638>. | **Token:** <BB_9638>
**SMILES:** CN(C)CCCNC(=O)C1CCNCC1
**Molecular Formula:** C11H23N3O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Amide | |
Provide the SMILES representation for the building block token <BB_9639>. | Cc1cccc(C2(N)CCC2)c1.Cl | |
What is the building block token for the following molecule? | Cc1cccc(C2(N)CCC2)c1.Cl | <BB_9639> |
What is the molecular formula for <BB_9639>? | The molecular formula for <BB_9639> (Cc1cccc(C2(N)CCC2)c1.Cl) is C11H16ClN. | |
Describe the ring structures in building block <BB_9639>. | 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_9639>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9639>. | **Token:** <BB_9639>
**SMILES:** Cc1cccc(C2(N)CCC2)c1.Cl
**Molecular Formula:** C11H16ClN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9640>. | CN1CCC2CCCNC2C1.Cl.Cl | |
What is the building block token for the following molecule? | CN1CCC2CCCNC2C1.Cl.Cl | <BB_9640> |
What is the molecular formula for <BB_9640>? | The molecular formula for <BB_9640> (CN1CCC2CCCNC2C1.Cl.Cl) is C9H20Cl2N2. | |
Describe the ring structures in building block <BB_9640>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9640>. | 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_9640>. | **Token:** <BB_9640>
**SMILES:** CN1CCC2CCCNC2C1.Cl.Cl
**Molecular Formula:** C9H20Cl2N2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9641>. | C[Si](C)(C)CCOCn1ncc(F)c1CN | |
What is the building block token for the following molecule? | C[Si](C)(C)CCOCn1ncc(F)c1CN | <BB_9641> |
What is the molecular formula for <BB_9641>? | The molecular formula for <BB_9641> (C[Si](C)(C)CCOCn1ncc(F)c1CN) is C10H20FN3OSi. | |
Describe the ring structures in building block <BB_9641>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9641>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9641>. | **Token:** <BB_9641>
**SMILES:** C[Si](C)(C)CCOCn1ncc(F)c1CN
**Molecular Formula:** C10H20FN3OSi
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9642>. | O=C=NCCc1ccc(Cl)c(Cl)c1 | |
What is the building block token for the following molecule? | O=C=NCCc1ccc(Cl)c(Cl)c1 | <BB_9642> |
What is the molecular formula for <BB_9642>? | The molecular formula for <BB_9642> (O=C=NCCc1ccc(Cl)c(Cl)c1) is C9H7Cl2NO. | |
Describe the ring structures in building block <BB_9642>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9642>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9642>. | **Token:** <BB_9642>
**SMILES:** O=C=NCCc1ccc(Cl)c(Cl)c1
**Molecular Formula:** C9H7Cl2NO
**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_9643>. | CC(C)CCCC1(C)CO1 | |
What is the building block token for the following molecule? | CC(C)CCCC1(C)CO1 | <BB_9643> |
What is the molecular formula for <BB_9643>? | The molecular formula for <BB_9643> (CC(C)CCCC1(C)CO1) is C9H18O. | |
Describe the ring structures in building block <BB_9643>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9643>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9643>. | **Token:** <BB_9643>
**SMILES:** CC(C)CCCC1(C)CO1
**Molecular Formula:** C9H18O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_9644>. | COC(=O)c1nc(C)ccc1N | |
What is the building block token for the following molecule? | COC(=O)c1nc(C)ccc1N | <BB_9644> |
What is the molecular formula for <BB_9644>? | The molecular formula for <BB_9644> (COC(=O)c1nc(C)ccc1N) is C8H10N2O2. | |
Describe the ring structures in building block <BB_9644>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9644>. | The molecule contains the following groups: Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9644>. | **Token:** <BB_9644>
**SMILES:** COC(=O)c1nc(C)ccc1N
**Molecular Formula:** C8H10N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_9645>. | FC(F)(F)Oc1ccc(Cl)c(CCl)c1 | |
What is the building block token for the following molecule? | FC(F)(F)Oc1ccc(Cl)c(CCl)c1 | <BB_9645> |
What is the molecular formula for <BB_9645>? | The molecular formula for <BB_9645> (FC(F)(F)Oc1ccc(Cl)c(CCl)c1) is C8H5Cl2F3O. | |
Describe the ring structures in building block <BB_9645>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9645>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9645>. | **Token:** <BB_9645>
**SMILES:** FC(F)(F)Oc1ccc(Cl)c(CCl)c1
**Molecular Formula:** C8H5Cl2F3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9646>. | CCCCc1nc2ccccc2n1CC(=O)[O-].[K+] | |
What is the building block token for the following molecule? | CCCCc1nc2ccccc2n1CC(=O)[O-].[K+] | <BB_9646> |
What is the molecular formula for <BB_9646>? | The molecular formula for <BB_9646> (CCCCc1nc2ccccc2n1CC(=O)[O-].[K+]) is C13H15KN2O2. | |
Describe the ring structures in building block <BB_9646>. | 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_9646>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9646>. | **Token:** <BB_9646>
**SMILES:** CCCCc1nc2ccccc2n1CC(=O)[O-].[K+]
**Molecular Formula:** C13H15KN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9647>. | Cl.Nc1ncccc1C(F)C(F)(F)F | |
What is the building block token for the following molecule? | Cl.Nc1ncccc1C(F)C(F)(F)F | <BB_9647> |
What is the molecular formula for <BB_9647>? | The molecular formula for <BB_9647> (Cl.Nc1ncccc1C(F)C(F)(F)F) is C7H7ClF4N2. | |
Describe the ring structures in building block <BB_9647>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9647>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9647>. | **Token:** <BB_9647>
**SMILES:** Cl.Nc1ncccc1C(F)C(F)(F)F
**Molecular Formula:** C7H7ClF4N2
**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_9648>. | Cn1cnnc1Br | |
What is the building block token for the following molecule? | Cn1cnnc1Br | <BB_9648> |
What is the molecular formula for <BB_9648>? | The molecular formula for <BB_9648> (Cn1cnnc1Br) is C3H4BrN3. | |
Describe the ring structures in building block <BB_9648>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9648>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9648>. | **Token:** <BB_9648>
**SMILES:** Cn1cnnc1Br
**Molecular Formula:** C3H4BrN3
**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_9649>. | Cc1ccc(OC2CCCC2)c(B(O)O)c1 | |
What is the building block token for the following molecule? | Cc1ccc(OC2CCCC2)c(B(O)O)c1 | <BB_9649> |
What is the molecular formula for <BB_9649>? | The molecular formula for <BB_9649> (Cc1ccc(OC2CCCC2)c(B(O)O)c1) is C12H17BO3. | |
Describe the ring structures in building block <BB_9649>. | 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_9649>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9649>. | **Token:** <BB_9649>
**SMILES:** Cc1ccc(OC2CCCC2)c(B(O)O)c1
**Molecular Formula:** C12H17BO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Ether |
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