instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_9366>. | 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_9366>. | **Token:** <BB_9366>
**SMILES:** COC(=O)C1NCCn2nccc21.Cl.Cl
**Molecular Formula:** C8H13Cl2N3O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9367>. | c1csc(C2CCCC2)n1 | |
What is the building block token for the following molecule? | c1csc(C2CCCC2)n1 | <BB_9367> |
What is the molecular formula for <BB_9367>? | The molecular formula for <BB_9367> (c1csc(C2CCCC2)n1) is C8H11NS. | |
Describe the ring structures in building block <BB_9367>. | 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_9367>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9367>. | **Token:** <BB_9367>
**SMILES:** c1csc(C2CCCC2)n1
**Molecular Formula:** C8H11NS
**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_9368>. | COC(=O)C(C)(C)NCC(C)C | |
What is the building block token for the following molecule? | COC(=O)C(C)(C)NCC(C)C | <BB_9368> |
What is the molecular formula for <BB_9368>? | The molecular formula for <BB_9368> (COC(=O)C(C)(C)NCC(C)C) is C9H19NO2. | |
Describe the ring structures in building block <BB_9368>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9368>. | The molecule contains the following groups: Secondary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9368>. | **Token:** <BB_9368>
**SMILES:** COC(=O)C(C)(C)NCC(C)C
**Molecular Formula:** C9H19NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_9369>. | O=C1NC(=O)[C@]2(CCC[C@@H]2C(=O)O)N1 | |
What is the building block token for the following molecule? | O=C1NC(=O)[C@]2(CCC[C@@H]2C(=O)O)N1 | <BB_9369> |
What is the molecular formula for <BB_9369>? | The molecular formula for <BB_9369> (O=C1NC(=O)[C@]2(CCC[C@@H]2C(=O)O)N1) is C8H10N2O4. | |
Describe the ring structures in building block <BB_9369>. | 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_9369>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9369>. | **Token:** <BB_9369>
**SMILES:** O=C1NC(=O)[C@]2(CCC[C@@H]2C(=O)O)N1
**Molecular Formula:** C8H10N2O4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_9370>. | C/C=C/C(N)c1nn(C)cc1Br.Cl | |
What is the building block token for the following molecule? | C/C=C/C(N)c1nn(C)cc1Br.Cl | <BB_9370> |
What is the molecular formula for <BB_9370>? | The molecular formula for <BB_9370> (C/C=C/C(N)c1nn(C)cc1Br.Cl) is C8H13BrClN3. | |
Describe the ring structures in building block <BB_9370>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9370>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9370>. | **Token:** <BB_9370>
**SMILES:** C/C=C/C(N)c1nn(C)cc1Br.Cl
**Molecular Formula:** C8H13BrClN3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9371>. | Cc1cc(C2CC2)ccc1CN.Cl | |
What is the building block token for the following molecule? | Cc1cc(C2CC2)ccc1CN.Cl | <BB_9371> |
What is the molecular formula for <BB_9371>? | The molecular formula for <BB_9371> (Cc1cc(C2CC2)ccc1CN.Cl) is C11H16ClN. | |
Describe the ring structures in building block <BB_9371>. | 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_9371>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9371>. | **Token:** <BB_9371>
**SMILES:** Cc1cc(C2CC2)ccc1CN.Cl
**Molecular Formula:** C11H16ClN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9372>. | C[C@H](N)c1cn(C)nn1.Cl | |
What is the building block token for the following molecule? | C[C@H](N)c1cn(C)nn1.Cl | <BB_9372> |
What is the molecular formula for <BB_9372>? | The molecular formula for <BB_9372> (C[C@H](N)c1cn(C)nn1.Cl) is C5H11ClN4. | |
Describe the ring structures in building block <BB_9372>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9372>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9372>. | **Token:** <BB_9372>
**SMILES:** C[C@H](N)c1cn(C)nn1.Cl
**Molecular Formula:** C5H11ClN4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9373>. | CC1CN(c2ccncc2)CCN1 | |
What is the building block token for the following molecule? | CC1CN(c2ccncc2)CCN1 | <BB_9373> |
What is the molecular formula for <BB_9373>? | The molecular formula for <BB_9373> (CC1CN(c2ccncc2)CCN1) is C10H15N3. | |
Describe the ring structures in building block <BB_9373>. | 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_9373>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9373>. | **Token:** <BB_9373>
**SMILES:** CC1CN(c2ccncc2)CCN1
**Molecular Formula:** C10H15N3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_9374>. | O=S(=O)(F)c1cc(Br)ccc1Cl | |
What is the building block token for the following molecule? | O=S(=O)(F)c1cc(Br)ccc1Cl | <BB_9374> |
What is the molecular formula for <BB_9374>? | The molecular formula for <BB_9374> (O=S(=O)(F)c1cc(Br)ccc1Cl) is C6H3BrClFO2S. | |
Describe the ring structures in building block <BB_9374>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9374>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9374>. | **Token:** <BB_9374>
**SMILES:** O=S(=O)(F)c1cc(Br)ccc1Cl
**Molecular Formula:** C6H3BrClFO2S
**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_9375>. | O=C1Nc2cccnc2C1=O | |
What is the building block token for the following molecule? | O=C1Nc2cccnc2C1=O | <BB_9375> |
What is the molecular formula for <BB_9375>? | The molecular formula for <BB_9375> (O=C1Nc2cccnc2C1=O) is C7H4N2O2. | |
Describe the ring structures in building block <BB_9375>. | 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_9375>. | The molecule contains the following groups: Amide, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_9375>. | **Token:** <BB_9375>
**SMILES:** O=C1Nc2cccnc2C1=O
**Molecular Formula:** C7H4N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amide, Ketone | |
Provide the SMILES representation for the building block token <BB_9376>. | COc1ccc(CN2CCCC2)cc1N | |
What is the building block token for the following molecule? | COc1ccc(CN2CCCC2)cc1N | <BB_9376> |
What is the molecular formula for <BB_9376>? | The molecular formula for <BB_9376> (COc1ccc(CN2CCCC2)cc1N) is C12H18N2O. | |
Describe the ring structures in building block <BB_9376>. | 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_9376>. | The molecule contains the following groups: Amine, Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9376>. | **Token:** <BB_9376>
**SMILES:** COc1ccc(CN2CCCC2)cc1N
**Molecular Formula:** C12H18N2O
**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, Ether | |
Provide the SMILES representation for the building block token <BB_9377>. | NNC(=O)c1cc(C2CC2)[nH]n1 | |
What is the building block token for the following molecule? | NNC(=O)c1cc(C2CC2)[nH]n1 | <BB_9377> |
What is the molecular formula for <BB_9377>? | The molecular formula for <BB_9377> (NNC(=O)c1cc(C2CC2)[nH]n1) is C7H10N4O. | |
Describe the ring structures in building block <BB_9377>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9377>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9377>. | **Token:** <BB_9377>
**SMILES:** NNC(=O)c1cc(C2CC2)[nH]n1
**Molecular Formula:** C7H10N4O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_9378>. | O=[N+]([O-])c1ccccc1NCCO | |
What is the building block token for the following molecule? | O=[N+]([O-])c1ccccc1NCCO | <BB_9378> |
What is the molecular formula for <BB_9378>? | The molecular formula for <BB_9378> (O=[N+]([O-])c1ccccc1NCCO) is C8H10N2O3. | |
Describe the ring structures in building block <BB_9378>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9378>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Alcohol, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9378>. | **Token:** <BB_9378>
**SMILES:** O=[N+]([O-])c1ccccc1NCCO
**Molecular Formula:** C8H10N2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Alcohol, Nitro | |
Provide the SMILES representation for the building block token <BB_9379>. | Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 | |
What is the building block token for the following molecule? | Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 | <BB_9379> |
What is the molecular formula for <BB_9379>? | The molecular formula for <BB_9379> (Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1) is C14H10ClN3S. | |
Describe the ring structures in building block <BB_9379>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9379>. | The molecule contains the following groups: Thiol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9379>. | **Token:** <BB_9379>
**SMILES:** Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1
**Molecular Formula:** C14H10ClN3S
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Thiol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9380>. | Cl.N=C(N)C(O)C1CC1 | |
What is the building block token for the following molecule? | Cl.N=C(N)C(O)C1CC1 | <BB_9380> |
What is the molecular formula for <BB_9380>? | The molecular formula for <BB_9380> (Cl.N=C(N)C(O)C1CC1) is C5H11ClN2O. | |
Describe the ring structures in building block <BB_9380>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9380>. | The molecule contains the following groups: Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9380>. | **Token:** <BB_9380>
**SMILES:** Cl.N=C(N)C(O)C1CC1
**Molecular Formula:** C5H11ClN2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9381>. | Cc1nn(CC(C)C)cc1S(=O)(=O)Cl | |
What is the building block token for the following molecule? | Cc1nn(CC(C)C)cc1S(=O)(=O)Cl | <BB_9381> |
What is the molecular formula for <BB_9381>? | The molecular formula for <BB_9381> (Cc1nn(CC(C)C)cc1S(=O)(=O)Cl) is C8H13ClN2O2S. | |
Describe the ring structures in building block <BB_9381>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9381>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9381>. | **Token:** <BB_9381>
**SMILES:** Cc1nn(CC(C)C)cc1S(=O)(=O)Cl
**Molecular Formula:** C8H13ClN2O2S
**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_9382>. | ClCc1csc(-c2c(Cl)cccc2Cl)n1 | |
What is the building block token for the following molecule? | ClCc1csc(-c2c(Cl)cccc2Cl)n1 | <BB_9382> |
What is the molecular formula for <BB_9382>? | The molecular formula for <BB_9382> (ClCc1csc(-c2c(Cl)cccc2Cl)n1) is C10H6Cl3NS. | |
Describe the ring structures in building block <BB_9382>. | 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_9382>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9382>. | **Token:** <BB_9382>
**SMILES:** ClCc1csc(-c2c(Cl)cccc2Cl)n1
**Molecular Formula:** C10H6Cl3NS
**Ring System:** The molecule contains 2 ring(s): 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_9383>. | CC(C)C(Cl)c1nccs1 | |
What is the building block token for the following molecule? | CC(C)C(Cl)c1nccs1 | <BB_9383> |
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