instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_2266>. | The molecule contains the following groups: Aldehyde, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2266>. | **Token:** <BB_2266>
**SMILES:** COc1ccc(C=O)cc1CO
**Molecular Formula:** C9H10O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2267>. | CC(C)NC(=O)Nc1ccc(O)c(C(=O)O)c1 | |
What is the building block token for the following molecule? | CC(C)NC(=O)Nc1ccc(O)c(C(=O)O)c1 | <BB_2267> |
What is the molecular formula for <BB_2267>? | The molecular formula for <BB_2267> (CC(C)NC(=O)Nc1ccc(O)c(C(=O)O)c1) is C11H14N2O4. | |
Describe the ring structures in building block <BB_2267>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2267>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2267>. | **Token:** <BB_2267>
**SMILES:** CC(C)NC(=O)Nc1ccc(O)c(C(=O)O)c1
**Molecular Formula:** C11H14N2O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_2268>. | Cl.NC(=O)NC1CC(N)C1 | |
What is the building block token for the following molecule? | Cl.NC(=O)NC1CC(N)C1 | <BB_2268> |
What is the molecular formula for <BB_2268>? | The molecular formula for <BB_2268> (Cl.NC(=O)NC1CC(N)C1) is C5H12ClN3O. | |
Describe the ring structures in building block <BB_2268>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2268>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2268>. | **Token:** <BB_2268>
**SMILES:** Cl.NC(=O)NC1CC(N)C1
**Molecular Formula:** C5H12ClN3O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2269>. | O=C1CSC(N2CCCCC2)=N1 | |
What is the building block token for the following molecule? | O=C1CSC(N2CCCCC2)=N1 | <BB_2269> |
What is the molecular formula for <BB_2269>? | The molecular formula for <BB_2269> (O=C1CSC(N2CCCCC2)=N1) is C8H12N2OS. | |
Describe the ring structures in building block <BB_2269>. | 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_2269>. | The molecule contains the following groups: Tertiary Amine, Amide, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_2269>. | **Token:** <BB_2269>
**SMILES:** O=C1CSC(N2CCCCC2)=N1
**Molecular Formula:** C8H12N2OS
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide, Sulfide | |
Provide the SMILES representation for the building block token <BB_2270>. | CCCNCC1CCCCC1.Cl | |
What is the building block token for the following molecule? | CCCNCC1CCCCC1.Cl | <BB_2270> |
What is the molecular formula for <BB_2270>? | The molecular formula for <BB_2270> (CCCNCC1CCCCC1.Cl) is C10H22ClN. | |
Describe the ring structures in building block <BB_2270>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2270>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2270>. | **Token:** <BB_2270>
**SMILES:** CCCNCC1CCCCC1.Cl
**Molecular Formula:** C10H22ClN
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2271>. | N#CCCO | |
What is the building block token for the following molecule? | N#CCCO | <BB_2271> |
What is the molecular formula for <BB_2271>? | The molecular formula for <BB_2271> (N#CCCO) is C3H5NO. | |
Describe the ring structures in building block <BB_2271>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2271>. | The molecule contains the following groups: Alcohol, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2271>. | **Token:** <BB_2271>
**SMILES:** N#CCCO
**Molecular Formula:** C3H5NO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol, Nitrile | |
Provide the SMILES representation for the building block token <BB_2272>. | O=C(O)c1ccccc1-c1cccs1 | |
What is the building block token for the following molecule? | O=C(O)c1ccccc1-c1cccs1 | <BB_2272> |
What is the molecular formula for <BB_2272>? | The molecular formula for <BB_2272> (O=C(O)c1ccccc1-c1cccs1) is C11H8O2S. | |
Describe the ring structures in building block <BB_2272>. | 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_2272>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2272>. | **Token:** <BB_2272>
**SMILES:** O=C(O)c1ccccc1-c1cccs1
**Molecular Formula:** C11H8O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2273>. | CCCS(=N)(=O)c1cc(Br)ccc1OC | |
What is the building block token for the following molecule? | CCCS(=N)(=O)c1cc(Br)ccc1OC | <BB_2273> |
What is the molecular formula for <BB_2273>? | The molecular formula for <BB_2273> (CCCS(=N)(=O)c1cc(Br)ccc1OC) is C10H14BrNO2S. | |
Describe the ring structures in building block <BB_2273>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2273>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2273>. | **Token:** <BB_2273>
**SMILES:** CCCS(=N)(=O)c1cc(Br)ccc1OC
**Molecular Formula:** C10H14BrNO2S
**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_2274>. | C=CC(=O)Nc1cncc(C(=O)O)c1 | |
What is the building block token for the following molecule? | C=CC(=O)Nc1cncc(C(=O)O)c1 | <BB_2274> |
What is the molecular formula for <BB_2274>? | The molecular formula for <BB_2274> (C=CC(=O)Nc1cncc(C(=O)O)c1) is C9H8N2O3. | |
Describe the ring structures in building block <BB_2274>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2274>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2274>. | **Token:** <BB_2274>
**SMILES:** C=CC(=O)Nc1cncc(C(=O)O)c1
**Molecular Formula:** C9H8N2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_2275>. | O=C(O)c1ccc(-c2ccsc2)nn1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc(-c2ccsc2)nn1 | <BB_2275> |
What is the molecular formula for <BB_2275>? | The molecular formula for <BB_2275> (O=C(O)c1ccc(-c2ccsc2)nn1) is C9H6N2O2S. | |
Describe the ring structures in building block <BB_2275>. | 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_2275>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2275>. | **Token:** <BB_2275>
**SMILES:** O=C(O)c1ccc(-c2ccsc2)nn1
**Molecular Formula:** C9H6N2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2276>. | CC(C)c1cc(Cl)cnc1N | |
What is the building block token for the following molecule? | CC(C)c1cc(Cl)cnc1N | <BB_2276> |
What is the molecular formula for <BB_2276>? | The molecular formula for <BB_2276> (CC(C)c1cc(Cl)cnc1N) is C8H11ClN2. | |
Describe the ring structures in building block <BB_2276>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2276>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2276>. | **Token:** <BB_2276>
**SMILES:** CC(C)c1cc(Cl)cnc1N
**Molecular Formula:** C8H11ClN2
**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_2277>. | COC(=O)c1nc2cc(Br)ccc2s1 | |
What is the building block token for the following molecule? | COC(=O)c1nc2cc(Br)ccc2s1 | <BB_2277> |
What is the molecular formula for <BB_2277>? | The molecular formula for <BB_2277> (COC(=O)c1nc2cc(Br)ccc2s1) is C9H6BrNO2S. | |
Describe the ring structures in building block <BB_2277>. | 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_2277>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2277>. | **Token:** <BB_2277>
**SMILES:** COC(=O)c1nc2cc(Br)ccc2s1
**Molecular Formula:** C9H6BrNO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2278>. | O=C(O)Cc1cccc(O)c1 | |
What is the building block token for the following molecule? | O=C(O)Cc1cccc(O)c1 | <BB_2278> |
What is the molecular formula for <BB_2278>? | The molecular formula for <BB_2278> (O=C(O)Cc1cccc(O)c1) is C8H8O3. | |
Describe the ring structures in building block <BB_2278>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2278>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2278>. | **Token:** <BB_2278>
**SMILES:** O=C(O)Cc1cccc(O)c1
**Molecular Formula:** C8H8O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2279>. | COC(=O)[C@@H]1CNC[C@H]1c1ccc(OC)cc1.Cl | |
What is the building block token for the following molecule? | COC(=O)[C@@H]1CNC[C@H]1c1ccc(OC)cc1.Cl | <BB_2279> |
What is the molecular formula for <BB_2279>? | The molecular formula for <BB_2279> (COC(=O)[C@@H]1CNC[C@H]1c1ccc(OC)cc1.Cl) is C13H18ClNO3. | |
Describe the ring structures in building block <BB_2279>. | 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_2279>. | 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_2279>. | **Token:** <BB_2279>
**SMILES:** COC(=O)[C@@H]1CNC[C@H]1c1ccc(OC)cc1.Cl
**Molecular Formula:** C13H18ClNO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2280>. | Cl.Cl.Nc1ccc2[nH]c(-c3ccco3)nc2c1 | |
What is the building block token for the following molecule? | Cl.Cl.Nc1ccc2[nH]c(-c3ccco3)nc2c1 | <BB_2280> |
What is the molecular formula for <BB_2280>? | The molecular formula for <BB_2280> (Cl.Cl.Nc1ccc2[nH]c(-c3ccco3)nc2c1) is C11H11Cl2N3O. | |
Describe the ring structures in building block <BB_2280>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2280>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2280>. | **Token:** <BB_2280>
**SMILES:** Cl.Cl.Nc1ccc2[nH]c(-c3ccco3)nc2c1
**Molecular Formula:** C11H11Cl2N3O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2281>. | Cl.NCCNC(=O)Cc1c[nH]c2ccc(O)cc12 | |
What is the building block token for the following molecule? | Cl.NCCNC(=O)Cc1c[nH]c2ccc(O)cc12 | <BB_2281> |
What is the molecular formula for <BB_2281>? | The molecular formula for <BB_2281> (Cl.NCCNC(=O)Cc1c[nH]c2ccc(O)cc12) is C12H16ClN3O2. | |
Describe the ring structures in building block <BB_2281>. | 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_2281>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2281>. | **Token:** <BB_2281>
**SMILES:** Cl.NCCNC(=O)Cc1c[nH]c2ccc(O)cc12
**Molecular Formula:** C12H16ClN3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2282>. | Cn1c(=O)[nH]c(=O)c2ccc(C(F)(F)F)nc21 | |
What is the building block token for the following molecule? | Cn1c(=O)[nH]c(=O)c2ccc(C(F)(F)F)nc21 | <BB_2282> |
What is the molecular formula for <BB_2282>? | The molecular formula for <BB_2282> (Cn1c(=O)[nH]c(=O)c2ccc(C(F)(F)F)nc21) is C9H6F3N3O2. | |
Describe the ring structures in building block <BB_2282>. | 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_2282>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2282>. | **Token:** <BB_2282>
**SMILES:** Cn1c(=O)[nH]c(=O)c2ccc(C(F)(F)F)nc21
**Molecular Formula:** C9H6F3N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2283>. | c1cnn(C2CC2)c1 | |
What is the building block token for the following molecule? | c1cnn(C2CC2)c1 | <BB_2283> |
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