instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_483>? | The molecular formula for <BB_483> (Cc1ncn(C)c1C(=O)[O-].[K+]) is C6H7KN2O2. | |
Describe the ring structures in building block <BB_483>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_483>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_483>. | **Token:** <BB_483>
**SMILES:** Cc1ncn(C)c1C(=O)[O-].[K+]
**Molecular Formula:** C6H7KN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_484>. | CCOC(=O)Cc1ccc(O)c(C)c1 | |
What is the building block token for the following molecule? | CCOC(=O)Cc1ccc(O)c(C)c1 | <BB_484> |
What is the molecular formula for <BB_484>? | The molecular formula for <BB_484> (CCOC(=O)Cc1ccc(O)c(C)c1) is C11H14O3. | |
Describe the ring structures in building block <BB_484>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_484>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_484>. | **Token:** <BB_484>
**SMILES:** CCOC(=O)Cc1ccc(O)c(C)c1
**Molecular Formula:** C11H14O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_485>. | O=C(O)CC1(C(F)(F)F)CNC(=O)C1 | |
What is the building block token for the following molecule? | O=C(O)CC1(C(F)(F)F)CNC(=O)C1 | <BB_485> |
What is the molecular formula for <BB_485>? | The molecular formula for <BB_485> (O=C(O)CC1(C(F)(F)F)CNC(=O)C1) is C7H8F3NO3. | |
Describe the ring structures in building block <BB_485>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_485>. | The molecule contains the following groups: Carboxylic Acid, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_485>. | **Token:** <BB_485>
**SMILES:** O=C(O)CC1(C(F)(F)F)CNC(=O)C1
**Molecular Formula:** C7H8F3NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_486>. | C#CCCN1CCCC2(C1)OCCO2 | |
What is the building block token for the following molecule? | C#CCCN1CCCC2(C1)OCCO2 | <BB_486> |
What is the molecular formula for <BB_486>? | The molecular formula for <BB_486> (C#CCCN1CCCC2(C1)OCCO2) is C11H17NO2. | |
Describe the ring structures in building block <BB_486>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_486>. | The molecule contains the following groups: Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_486>. | **Token:** <BB_486>
**SMILES:** C#CCCN1CCCC2(C1)OCCO2
**Molecular Formula:** C11H17NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_487>. | CC(C)Oc1nccc(CN)n1 | |
What is the building block token for the following molecule? | CC(C)Oc1nccc(CN)n1 | <BB_487> |
What is the molecular formula for <BB_487>? | The molecular formula for <BB_487> (CC(C)Oc1nccc(CN)n1) is C8H13N3O. | |
Describe the ring structures in building block <BB_487>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_487>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_487>. | **Token:** <BB_487>
**SMILES:** CC(C)Oc1nccc(CN)n1
**Molecular Formula:** C8H13N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_488>. | COc1cnc(CO)c(C)c1 | |
What is the building block token for the following molecule? | COc1cnc(CO)c(C)c1 | <BB_488> |
What is the molecular formula for <BB_488>? | The molecular formula for <BB_488> (COc1cnc(CO)c(C)c1) is C8H11NO2. | |
Describe the ring structures in building block <BB_488>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_488>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_488>. | **Token:** <BB_488>
**SMILES:** COc1cnc(CO)c(C)c1
**Molecular Formula:** C8H11NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_489>. | Cc1cc(I)ccc1N | |
What is the building block token for the following molecule? | Cc1cc(I)ccc1N | <BB_489> |
What is the molecular formula for <BB_489>? | The molecular formula for <BB_489> (Cc1cc(I)ccc1N) is C7H8IN. | |
Describe the ring structures in building block <BB_489>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_489>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_489>. | **Token:** <BB_489>
**SMILES:** Cc1cc(I)ccc1N
**Molecular Formula:** C7H8IN
**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_490>. | Sc1ccc2[nH]ccc2c1 | |
What is the building block token for the following molecule? | Sc1ccc2[nH]ccc2c1 | <BB_490> |
What is the molecular formula for <BB_490>? | The molecular formula for <BB_490> (Sc1ccc2[nH]ccc2c1) is C8H7NS. | |
Describe the ring structures in building block <BB_490>. | 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_490>. | The molecule contains the following groups: Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_490>. | **Token:** <BB_490>
**SMILES:** Sc1ccc2[nH]ccc2c1
**Molecular Formula:** C8H7NS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Thiol | |
Provide the SMILES representation for the building block token <BB_491>. | CCc1ccc(CBr)c(C)c1 | |
What is the building block token for the following molecule? | CCc1ccc(CBr)c(C)c1 | <BB_491> |
What is the molecular formula for <BB_491>? | The molecular formula for <BB_491> (CCc1ccc(CBr)c(C)c1) is C10H13Br. | |
Describe the ring structures in building block <BB_491>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_491>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_491>. | **Token:** <BB_491>
**SMILES:** CCc1ccc(CBr)c(C)c1
**Molecular Formula:** C10H13Br
**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_492>. | Cc1c(Cl)cc(C=O)cc1Cl | |
What is the building block token for the following molecule? | Cc1c(Cl)cc(C=O)cc1Cl | <BB_492> |
What is the molecular formula for <BB_492>? | The molecular formula for <BB_492> (Cc1c(Cl)cc(C=O)cc1Cl) is C8H6Cl2O. | |
Describe the ring structures in building block <BB_492>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_492>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_492>. | **Token:** <BB_492>
**SMILES:** Cc1c(Cl)cc(C=O)cc1Cl
**Molecular Formula:** C8H6Cl2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_493>. | Cc1c(N)nc(-c2ccccn2)nc1Cl | |
What is the building block token for the following molecule? | Cc1c(N)nc(-c2ccccn2)nc1Cl | <BB_493> |
What is the molecular formula for <BB_493>? | The molecular formula for <BB_493> (Cc1c(N)nc(-c2ccccn2)nc1Cl) is C10H9ClN4. | |
Describe the ring structures in building block <BB_493>. | 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_493>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_493>. | **Token:** <BB_493>
**SMILES:** Cc1c(N)nc(-c2ccccn2)nc1Cl
**Molecular Formula:** C10H9ClN4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_494>. | COC(=O)C1COC(=O)N1 | |
What is the building block token for the following molecule? | COC(=O)C1COC(=O)N1 | <BB_494> |
What is the molecular formula for <BB_494>? | The molecular formula for <BB_494> (COC(=O)C1COC(=O)N1) is C5H7NO4. | |
Describe the ring structures in building block <BB_494>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_494>. | The molecule contains the following groups: Amide, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_494>. | **Token:** <BB_494>
**SMILES:** COC(=O)C1COC(=O)N1
**Molecular Formula:** C5H7NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_495>. | CC1(C=O)CCC1 | |
What is the building block token for the following molecule? | CC1(C=O)CCC1 | <BB_495> |
What is the molecular formula for <BB_495>? | The molecular formula for <BB_495> (CC1(C=O)CCC1) is C6H10O. | |
Describe the ring structures in building block <BB_495>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_495>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_495>. | **Token:** <BB_495>
**SMILES:** CC1(C=O)CCC1
**Molecular Formula:** C6H10O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_496>. | Cc1cc(CO)cc(C=O)n1 | |
What is the building block token for the following molecule? | Cc1cc(CO)cc(C=O)n1 | <BB_496> |
What is the molecular formula for <BB_496>? | The molecular formula for <BB_496> (Cc1cc(CO)cc(C=O)n1) is C8H9NO2. | |
Describe the ring structures in building block <BB_496>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_496>. | The molecule contains the following groups: Aldehyde, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_496>. | **Token:** <BB_496>
**SMILES:** Cc1cc(CO)cc(C=O)n1
**Molecular Formula:** C8H9NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Alcohol | |
Provide the SMILES representation for the building block token <BB_497>. | Nc1cccc(-n2ccnc2)c1 | |
What is the building block token for the following molecule? | Nc1cccc(-n2ccnc2)c1 | <BB_497> |
What is the molecular formula for <BB_497>? | The molecular formula for <BB_497> (Nc1cccc(-n2ccnc2)c1) is C9H9N3. | |
Describe the ring structures in building block <BB_497>. | 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_497>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_497>. | **Token:** <BB_497>
**SMILES:** Nc1cccc(-n2ccnc2)c1
**Molecular Formula:** C9H9N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_498>. | O=CC[C@@]12CCC[C@@H]1C2 | |
What is the building block token for the following molecule? | O=CC[C@@]12CCC[C@@H]1C2 | <BB_498> |
What is the molecular formula for <BB_498>? | The molecular formula for <BB_498> (O=CC[C@@]12CCC[C@@H]1C2) is C8H12O. | |
Describe the ring structures in building block <BB_498>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_498>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_498>. | **Token:** <BB_498>
**SMILES:** O=CC[C@@]12CCC[C@@H]1C2
**Molecular Formula:** C8H12O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_499>. | Nc1ncc(Cl)c(F)n1 | |
What is the building block token for the following molecule? | Nc1ncc(Cl)c(F)n1 | <BB_499> |
What is the molecular formula for <BB_499>? | The molecular formula for <BB_499> (Nc1ncc(Cl)c(F)n1) is C4H3ClFN3. | |
Describe the ring structures in building block <BB_499>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_499>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_499>. | **Token:** <BB_499>
**SMILES:** Nc1ncc(Cl)c(F)n1
**Molecular Formula:** C4H3ClFN3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) |
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