instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_2483>? | The molecular formula for <BB_2483> (Nc1cc(Br)cc2c1OCO2) is C7H6BrNO2. | |
Describe the ring structures in building block <BB_2483>. | 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_2483>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2483>. | **Token:** <BB_2483>
**SMILES:** Nc1cc(Br)cc2c1OCO2
**Molecular Formula:** C7H6BrNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2484>. | OC[C@H](O)Cc1ccccc1 | |
What is the building block token for the following molecule? | OC[C@H](O)Cc1ccccc1 | <BB_2484> |
What is the molecular formula for <BB_2484>? | The molecular formula for <BB_2484> (OC[C@H](O)Cc1ccccc1) is C9H12O2. | |
Describe the ring structures in building block <BB_2484>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2484>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2484>. | **Token:** <BB_2484>
**SMILES:** OC[C@H](O)Cc1ccccc1
**Molecular Formula:** C9H12O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_2485>. | CC(=O)c1c(C2CC2)cnn1C | |
What is the building block token for the following molecule? | CC(=O)c1c(C2CC2)cnn1C | <BB_2485> |
What is the molecular formula for <BB_2485>? | The molecular formula for <BB_2485> (CC(=O)c1c(C2CC2)cnn1C) is C9H12N2O. | |
Describe the ring structures in building block <BB_2485>. | 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_2485>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_2485>. | **Token:** <BB_2485>
**SMILES:** CC(=O)c1c(C2CC2)cnn1C
**Molecular Formula:** C9H12N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_2486>. | Cn1ccnc(Cl)c1=O | |
What is the building block token for the following molecule? | Cn1ccnc(Cl)c1=O | <BB_2486> |
What is the molecular formula for <BB_2486>? | The molecular formula for <BB_2486> (Cn1ccnc(Cl)c1=O) is C5H5ClN2O. | |
Describe the ring structures in building block <BB_2486>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2486>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2486>. | **Token:** <BB_2486>
**SMILES:** Cn1ccnc(Cl)c1=O
**Molecular Formula:** C5H5ClN2O
**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_2487>. | CC(C)(N)c1nnn[nH]1.Cl | |
What is the building block token for the following molecule? | CC(C)(N)c1nnn[nH]1.Cl | <BB_2487> |
What is the molecular formula for <BB_2487>? | The molecular formula for <BB_2487> (CC(C)(N)c1nnn[nH]1.Cl) is C4H10ClN5. | |
Describe the ring structures in building block <BB_2487>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2487>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2487>. | **Token:** <BB_2487>
**SMILES:** CC(C)(N)c1nnn[nH]1.Cl
**Molecular Formula:** C4H10ClN5
**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_2488>. | Cc1cnc2c(C(=O)O)cccc2c1 | |
What is the building block token for the following molecule? | Cc1cnc2c(C(=O)O)cccc2c1 | <BB_2488> |
What is the molecular formula for <BB_2488>? | The molecular formula for <BB_2488> (Cc1cnc2c(C(=O)O)cccc2c1) is C11H9NO2. | |
Describe the ring structures in building block <BB_2488>. | 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_2488>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2488>. | **Token:** <BB_2488>
**SMILES:** Cc1cnc2c(C(=O)O)cccc2c1
**Molecular Formula:** C11H9NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2489>. | O=C(O)c1cnccc1Br | |
What is the building block token for the following molecule? | O=C(O)c1cnccc1Br | <BB_2489> |
What is the molecular formula for <BB_2489>? | The molecular formula for <BB_2489> (O=C(O)c1cnccc1Br) is C6H4BrNO2. | |
Describe the ring structures in building block <BB_2489>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2489>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2489>. | **Token:** <BB_2489>
**SMILES:** O=C(O)c1cnccc1Br
**Molecular Formula:** C6H4BrNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2490>. | CC1(C)CCC1CBr | |
What is the building block token for the following molecule? | CC1(C)CCC1CBr | <BB_2490> |
What is the molecular formula for <BB_2490>? | The molecular formula for <BB_2490> (CC1(C)CCC1CBr) is C7H13Br. | |
Describe the ring structures in building block <BB_2490>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2490>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2490>. | **Token:** <BB_2490>
**SMILES:** CC1(C)CCC1CBr
**Molecular Formula:** C7H13Br
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2491>. | CC(CN)CC1CCC1.Cl | |
What is the building block token for the following molecule? | CC(CN)CC1CCC1.Cl | <BB_2491> |
What is the molecular formula for <BB_2491>? | The molecular formula for <BB_2491> (CC(CN)CC1CCC1.Cl) is C8H18ClN. | |
Describe the ring structures in building block <BB_2491>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2491>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2491>. | **Token:** <BB_2491>
**SMILES:** CC(CN)CC1CCC1.Cl
**Molecular Formula:** C8H18ClN
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2492>. | Cl.Cl.c1ccn2c(CC3CCCNC3)nnc2c1 | |
What is the building block token for the following molecule? | Cl.Cl.c1ccn2c(CC3CCCNC3)nnc2c1 | <BB_2492> |
What is the molecular formula for <BB_2492>? | The molecular formula for <BB_2492> (Cl.Cl.c1ccn2c(CC3CCCNC3)nnc2c1) is C12H18Cl2N4. | |
Describe the ring structures in building block <BB_2492>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2492>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2492>. | **Token:** <BB_2492>
**SMILES:** Cl.Cl.c1ccn2c(CC3CCCNC3)nnc2c1
**Molecular Formula:** C12H18Cl2N4
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2493>. | CC(C)(C)OC(=O)CCOCC=O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)CCOCC=O | <BB_2493> |
What is the molecular formula for <BB_2493>? | The molecular formula for <BB_2493> (CC(C)(C)OC(=O)CCOCC=O) is C9H16O4. | |
Describe the ring structures in building block <BB_2493>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2493>. | The molecule contains the following groups: Ester, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2493>. | **Token:** <BB_2493>
**SMILES:** CC(C)(C)OC(=O)CCOCC=O
**Molecular Formula:** C9H16O4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_2494>. | Cc1ccc(F)cc1C | |
What is the building block token for the following molecule? | Cc1ccc(F)cc1C | <BB_2494> |
What is the molecular formula for <BB_2494>? | The molecular formula for <BB_2494> (Cc1ccc(F)cc1C) is C8H9F. | |
Describe the ring structures in building block <BB_2494>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2494>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2494>. | **Token:** <BB_2494>
**SMILES:** Cc1ccc(F)cc1C
**Molecular Formula:** C8H9F
**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_2495>. | CN(C)c1cc(C(F)(F)F)ccc1C=O | |
What is the building block token for the following molecule? | CN(C)c1cc(C(F)(F)F)ccc1C=O | <BB_2495> |
What is the molecular formula for <BB_2495>? | The molecular formula for <BB_2495> (CN(C)c1cc(C(F)(F)F)ccc1C=O) is C10H10F3NO. | |
Describe the ring structures in building block <BB_2495>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2495>. | The molecule contains the following groups: Tertiary Amine, Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2495>. | **Token:** <BB_2495>
**SMILES:** CN(C)c1cc(C(F)(F)F)ccc1C=O
**Molecular Formula:** C10H10F3NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2496>. | CC(C)(C)OC(=O)NC(C)(C)C1CCNC1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC(C)(C)C1CCNC1 | <BB_2496> |
What is the molecular formula for <BB_2496>? | The molecular formula for <BB_2496> (CC(C)(C)OC(=O)NC(C)(C)C1CCNC1) is C12H24N2O2. | |
Describe the ring structures in building block <BB_2496>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2496>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2496>. | **Token:** <BB_2496>
**SMILES:** CC(C)(C)OC(=O)NC(C)(C)C1CCNC1
**Molecular Formula:** C12H24N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2497>. | N#Cc1ccc(-c2cccc(CO)c2)s1 | |
What is the building block token for the following molecule? | N#Cc1ccc(-c2cccc(CO)c2)s1 | <BB_2497> |
What is the molecular formula for <BB_2497>? | The molecular formula for <BB_2497> (N#Cc1ccc(-c2cccc(CO)c2)s1) is C12H9NOS. | |
Describe the ring structures in building block <BB_2497>. | 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_2497>. | The molecule contains the following groups: Alcohol, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2497>. | **Token:** <BB_2497>
**SMILES:** N#Cc1ccc(-c2cccc(CO)c2)s1
**Molecular Formula:** C12H9NOS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Alcohol, Nitrile | |
Provide the SMILES representation for the building block token <BB_2498>. | Cc1ncc(F)cc1C(=O)O.Cl | |
What is the building block token for the following molecule? | Cc1ncc(F)cc1C(=O)O.Cl | <BB_2498> |
What is the molecular formula for <BB_2498>? | The molecular formula for <BB_2498> (Cc1ncc(F)cc1C(=O)O.Cl) is C7H7ClFNO2. | |
Describe the ring structures in building block <BB_2498>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2498>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2498>. | **Token:** <BB_2498>
**SMILES:** Cc1ncc(F)cc1C(=O)O.Cl
**Molecular Formula:** C7H7ClFNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2499>. | N#CC1(c2ccc(C=O)cc2)CC1 | |
What is the building block token for the following molecule? | N#CC1(c2ccc(C=O)cc2)CC1 | <BB_2499> |
What is the molecular formula for <BB_2499>? | The molecular formula for <BB_2499> (N#CC1(c2ccc(C=O)cc2)CC1) is C11H9NO. | |
Describe the ring structures in building block <BB_2499>. | 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_2499>. | The molecule contains the following groups: Aldehyde, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2499>. | **Token:** <BB_2499>
**SMILES:** N#CC1(c2ccc(C=O)cc2)CC1
**Molecular Formula:** C11H9NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Aldehyde, Nitrile |
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