instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_9383>? | The molecular formula for <BB_9383> (CC(C)C(Cl)c1nccs1) is C7H10ClNS. | |
Describe the ring structures in building block <BB_9383>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9383>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9383>. | **Token:** <BB_9383>
**SMILES:** CC(C)C(Cl)c1nccs1
**Molecular Formula:** C7H10ClNS
**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_9384>. | CC(C)(C)OC(=O)Nc1cccc(C=O)c1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)Nc1cccc(C=O)c1 | <BB_9384> |
What is the molecular formula for <BB_9384>? | The molecular formula for <BB_9384> (CC(C)(C)OC(=O)Nc1cccc(C=O)c1) is C12H15NO3. | |
Describe the ring structures in building block <BB_9384>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9384>. | The molecule contains the following groups: Amide, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9384>. | **Token:** <BB_9384>
**SMILES:** CC(C)(C)OC(=O)Nc1cccc(C=O)c1
**Molecular Formula:** C12H15NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_9385>. | N#Cc1ccc(-c2c[nH]cn2)cc1 | |
What is the building block token for the following molecule? | N#Cc1ccc(-c2c[nH]cn2)cc1 | <BB_9385> |
What is the molecular formula for <BB_9385>? | The molecular formula for <BB_9385> (N#Cc1ccc(-c2c[nH]cn2)cc1) is C10H7N3. | |
Describe the ring structures in building block <BB_9385>. | 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_9385>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9385>. | **Token:** <BB_9385>
**SMILES:** N#Cc1ccc(-c2c[nH]cn2)cc1
**Molecular Formula:** C10H7N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_9386>. | ON=Cc1c(O)cccc1Cl | |
What is the building block token for the following molecule? | ON=Cc1c(O)cccc1Cl | <BB_9386> |
What is the molecular formula for <BB_9386>? | The molecular formula for <BB_9386> (ON=Cc1c(O)cccc1Cl) is C7H6ClNO2. | |
Describe the ring structures in building block <BB_9386>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9386>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9386>. | **Token:** <BB_9386>
**SMILES:** ON=Cc1c(O)cccc1Cl
**Molecular Formula:** C7H6ClNO2
**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_9387>. | Fc1ccc(C(F)(F)F)cn1 | |
What is the building block token for the following molecule? | Fc1ccc(C(F)(F)F)cn1 | <BB_9387> |
What is the molecular formula for <BB_9387>? | The molecular formula for <BB_9387> (Fc1ccc(C(F)(F)F)cn1) is C6H3F4N. | |
Describe the ring structures in building block <BB_9387>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9387>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9387>. | **Token:** <BB_9387>
**SMILES:** Fc1ccc(C(F)(F)F)cn1
**Molecular Formula:** C6H3F4N
**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_9388>. | CC=C(C)CC | |
What is the building block token for the following molecule? | CC=C(C)CC | <BB_9388> |
What is the molecular formula for <BB_9388>? | The molecular formula for <BB_9388> (CC=C(C)CC) is C6H12. | |
Describe the ring structures in building block <BB_9388>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9388>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9388>. | **Token:** <BB_9388>
**SMILES:** CC=C(C)CC
**Molecular Formula:** C6H12
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9389>. | NC(CC(F)(F)F)c1ccc(Cl)c(Cl)c1 | |
What is the building block token for the following molecule? | NC(CC(F)(F)F)c1ccc(Cl)c(Cl)c1 | <BB_9389> |
What is the molecular formula for <BB_9389>? | The molecular formula for <BB_9389> (NC(CC(F)(F)F)c1ccc(Cl)c(Cl)c1) is C9H8Cl2F3N. | |
Describe the ring structures in building block <BB_9389>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9389>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9389>. | **Token:** <BB_9389>
**SMILES:** NC(CC(F)(F)F)c1ccc(Cl)c(Cl)c1
**Molecular Formula:** C9H8Cl2F3N
**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_9390>. | CCCCCCCCOCCCN.Cl | |
What is the building block token for the following molecule? | CCCCCCCCOCCCN.Cl | <BB_9390> |
What is the molecular formula for <BB_9390>? | The molecular formula for <BB_9390> (CCCCCCCCOCCCN.Cl) is C11H26ClNO. | |
Describe the ring structures in building block <BB_9390>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9390>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9390>. | **Token:** <BB_9390>
**SMILES:** CCCCCCCCOCCCN.Cl
**Molecular Formula:** C11H26ClNO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9391>. | CCC(N)c1noc(C)n1.Cl | |
What is the building block token for the following molecule? | CCC(N)c1noc(C)n1.Cl | <BB_9391> |
What is the molecular formula for <BB_9391>? | The molecular formula for <BB_9391> (CCC(N)c1noc(C)n1.Cl) is C6H12ClN3O. | |
Describe the ring structures in building block <BB_9391>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9391>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9391>. | **Token:** <BB_9391>
**SMILES:** CCC(N)c1noc(C)n1.Cl
**Molecular Formula:** C6H12ClN3O
**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_9392>. | COc1cc([N+](=O)[O-])cc(F)c1OC | |
What is the building block token for the following molecule? | COc1cc([N+](=O)[O-])cc(F)c1OC | <BB_9392> |
What is the molecular formula for <BB_9392>? | The molecular formula for <BB_9392> (COc1cc([N+](=O)[O-])cc(F)c1OC) is C8H8FNO4. | |
Describe the ring structures in building block <BB_9392>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9392>. | The molecule contains the following groups: Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9392>. | **Token:** <BB_9392>
**SMILES:** COc1cc([N+](=O)[O-])cc(F)c1OC
**Molecular Formula:** C8H8FNO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_9393>. | Cl.N#Cc1cccc(C2CCCN2)c1 | |
What is the building block token for the following molecule? | Cl.N#Cc1cccc(C2CCCN2)c1 | <BB_9393> |
What is the molecular formula for <BB_9393>? | The molecular formula for <BB_9393> (Cl.N#Cc1cccc(C2CCCN2)c1) is C11H13ClN2. | |
Describe the ring structures in building block <BB_9393>. | 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_9393>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9393>. | **Token:** <BB_9393>
**SMILES:** Cl.N#Cc1cccc(C2CCCN2)c1
**Molecular Formula:** C11H13ClN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_9394>. | Cn1cc([N+](=O)[O-])c(C(N)=O)n1 | |
What is the building block token for the following molecule? | Cn1cc([N+](=O)[O-])c(C(N)=O)n1 | <BB_9394> |
What is the molecular formula for <BB_9394>? | The molecular formula for <BB_9394> (Cn1cc([N+](=O)[O-])c(C(N)=O)n1) is C5H6N4O3. | |
Describe the ring structures in building block <BB_9394>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9394>. | The molecule contains the following groups: Tertiary Amine, Amide, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9394>. | **Token:** <BB_9394>
**SMILES:** Cn1cc([N+](=O)[O-])c(C(N)=O)n1
**Molecular Formula:** C5H6N4O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Amide, Nitro | |
Provide the SMILES representation for the building block token <BB_9395>. | COC(=O)[C@@H]1C[C@H]2CC(=O)C[C@@H](C1)N2.Cl | |
What is the building block token for the following molecule? | COC(=O)[C@@H]1C[C@H]2CC(=O)C[C@@H](C1)N2.Cl | <BB_9395> |
What is the molecular formula for <BB_9395>? | The molecular formula for <BB_9395> (COC(=O)[C@@H]1C[C@H]2CC(=O)C[C@@H](C1)N2.Cl) is C10H16ClNO3. | |
Describe the ring structures in building block <BB_9395>. | 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_9395>. | The molecule contains the following groups: Secondary Amine, Ester, Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9395>. | **Token:** <BB_9395>
**SMILES:** COC(=O)[C@@H]1C[C@H]2CC(=O)C[C@@H](C1)N2.Cl
**Molecular Formula:** C10H16ClNO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9396>. | COC(=O)CNc1ncc(C)cc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | COC(=O)CNc1ncc(C)cc1[N+](=O)[O-] | <BB_9396> |
What is the molecular formula for <BB_9396>? | The molecular formula for <BB_9396> (COC(=O)CNc1ncc(C)cc1[N+](=O)[O-]) is C9H11N3O4. | |
Describe the ring structures in building block <BB_9396>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9396>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Ester, Ether, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9396>. | **Token:** <BB_9396>
**SMILES:** COC(=O)CNc1ncc(C)cc1[N+](=O)[O-]
**Molecular Formula:** C9H11N3O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Ester, Ether, Nitro | |
Provide the SMILES representation for the building block token <BB_9397>. | CSc1ccc(CN)cc1.Cl | |
What is the building block token for the following molecule? | CSc1ccc(CN)cc1.Cl | <BB_9397> |
What is the molecular formula for <BB_9397>? | The molecular formula for <BB_9397> (CSc1ccc(CN)cc1.Cl) is C8H12ClNS. | |
Describe the ring structures in building block <BB_9397>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9397>. | The molecule contains the following groups: Amine, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9397>. | **Token:** <BB_9397>
**SMILES:** CSc1ccc(CN)cc1.Cl
**Molecular Formula:** C8H12ClNS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9398>. | CCC[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)O | |
What is the building block token for the following molecule? | CCC[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)O | <BB_9398> |
What is the molecular formula for <BB_9398>? | The molecular formula for <BB_9398> (CCC[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)O) is C15H21NO2. | |
Describe the ring structures in building block <BB_9398>. | 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_9398>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9398>. | **Token:** <BB_9398>
**SMILES:** CCC[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)O
**Molecular Formula:** C15H21NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_9399>. | COC(=O)C(C)C(C)S | |
What is the building block token for the following molecule? | COC(=O)C(C)C(C)S | <BB_9399> |
What is the molecular formula for <BB_9399>? | The molecular formula for <BB_9399> (COC(=O)C(C)C(C)S) is C6H12O2S. | |
Describe the ring structures in building block <BB_9399>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9399>. | The molecule contains the following groups: Ester, Ether, Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_9399>. | **Token:** <BB_9399>
**SMILES:** COC(=O)C(C)C(C)S
**Molecular Formula:** C6H12O2S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ether, Thiol |
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