instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_3016>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_3016>. | **Token:** <BB_3016>
**SMILES:** Cc1nc2c(=O)[nH]nc(-c3ccccc3)c2s1
**Molecular Formula:** C12H9N3OS
**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:** None specific | |
Provide the SMILES representation for the building block token <BB_3017>. | COC(=O)CNCc1ccc(Br)cc1 | |
What is the building block token for the following molecule? | COC(=O)CNCc1ccc(Br)cc1 | <BB_3017> |
What is the molecular formula for <BB_3017>? | The molecular formula for <BB_3017> (COC(=O)CNCc1ccc(Br)cc1) is C10H12BrNO2. | |
Describe the ring structures in building block <BB_3017>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3017>. | 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_3017>. | **Token:** <BB_3017>
**SMILES:** COC(=O)CNCc1ccc(Br)cc1
**Molecular Formula:** C10H12BrNO2
**Ring System:** The molecule contains 1 ring(s): 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_3018>. | CC(C)(C)OC(=O)NC1(CCF)CC(O)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC1(CCF)CC(O)C1 | <BB_3018> |
What is the molecular formula for <BB_3018>? | The molecular formula for <BB_3018> (CC(C)(C)OC(=O)NC1(CCF)CC(O)C1) is C11H20FNO3. | |
Describe the ring structures in building block <BB_3018>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_3018>. | The molecule contains the following groups: Amide, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3018>. | **Token:** <BB_3018>
**SMILES:** CC(C)(C)OC(=O)NC1(CCF)CC(O)C1
**Molecular Formula:** C11H20FNO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amide, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3019>. | CN[C@@H](C)C1CC1.Cl | |
What is the building block token for the following molecule? | CN[C@@H](C)C1CC1.Cl | <BB_3019> |
What is the molecular formula for <BB_3019>? | The molecular formula for <BB_3019> (CN[C@@H](C)C1CC1.Cl) is C6H14ClN. | |
Describe the ring structures in building block <BB_3019>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_3019>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3019>. | **Token:** <BB_3019>
**SMILES:** CN[C@@H](C)C1CC1.Cl
**Molecular Formula:** C6H14ClN
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3020>. | O=C(O)C(CCCO)Cc1cccc(Cl)c1 | |
What is the building block token for the following molecule? | O=C(O)C(CCCO)Cc1cccc(Cl)c1 | <BB_3020> |
What is the molecular formula for <BB_3020>? | The molecular formula for <BB_3020> (O=C(O)C(CCCO)Cc1cccc(Cl)c1) is C12H15ClO3. | |
Describe the ring structures in building block <BB_3020>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3020>. | The molecule contains the following groups: Carboxylic Acid, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3020>. | **Token:** <BB_3020>
**SMILES:** O=C(O)C(CCCO)Cc1cccc(Cl)c1
**Molecular Formula:** C12H15ClO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3021>. | COc1cc(C(=O)O)cc(Br)c1OCC#N | |
What is the building block token for the following molecule? | COc1cc(C(=O)O)cc(Br)c1OCC#N | <BB_3021> |
What is the molecular formula for <BB_3021>? | The molecular formula for <BB_3021> (COc1cc(C(=O)O)cc(Br)c1OCC#N) is C10H8BrNO4. | |
Describe the ring structures in building block <BB_3021>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3021>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_3021>. | **Token:** <BB_3021>
**SMILES:** COc1cc(C(=O)O)cc(Br)c1OCC#N
**Molecular Formula:** C10H8BrNO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_3022>. | O=Cc1cccn1CC(=O)O | |
What is the building block token for the following molecule? | O=Cc1cccn1CC(=O)O | <BB_3022> |
What is the molecular formula for <BB_3022>? | The molecular formula for <BB_3022> (O=Cc1cccn1CC(=O)O) is C7H7NO3. | |
Describe the ring structures in building block <BB_3022>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3022>. | The molecule contains the following groups: Carboxylic Acid, Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_3022>. | **Token:** <BB_3022>
**SMILES:** O=Cc1cccn1CC(=O)O
**Molecular Formula:** C7H7NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Aldehyde | |
Provide the SMILES representation for the building block token <BB_3023>. | O=C([O-])COc1ccon1.[K+] | |
What is the building block token for the following molecule? | O=C([O-])COc1ccon1.[K+] | <BB_3023> |
What is the molecular formula for <BB_3023>? | The molecular formula for <BB_3023> (O=C([O-])COc1ccon1.[K+]) is C5H4KNO4. | |
Describe the ring structures in building block <BB_3023>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3023>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3023>. | **Token:** <BB_3023>
**SMILES:** O=C([O-])COc1ccon1.[K+]
**Molecular Formula:** C5H4KNO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_3024>. | CC(C)(O)c1ccc(O)c(F)c1 | |
What is the building block token for the following molecule? | CC(C)(O)c1ccc(O)c(F)c1 | <BB_3024> |
What is the molecular formula for <BB_3024>? | The molecular formula for <BB_3024> (CC(C)(O)c1ccc(O)c(F)c1) is C9H11FO2. | |
Describe the ring structures in building block <BB_3024>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3024>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3024>. | **Token:** <BB_3024>
**SMILES:** CC(C)(O)c1ccc(O)c(F)c1
**Molecular Formula:** C9H11FO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3025>. | N=C(N)Nc1nccc2c(C(=O)O)cccc12 | |
What is the building block token for the following molecule? | N=C(N)Nc1nccc2c(C(=O)O)cccc12 | <BB_3025> |
What is the molecular formula for <BB_3025>? | The molecular formula for <BB_3025> (N=C(N)Nc1nccc2c(C(=O)O)cccc12) is C11H10N4O2. | |
Describe the ring structures in building block <BB_3025>. | 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_3025>. | The molecule contains the following groups: Carboxylic Acid, Amine, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_3025>. | **Token:** <BB_3025>
**SMILES:** N=C(N)Nc1nccc2c(C(=O)O)cccc12
**Molecular Formula:** C11H10N4O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_3026>. | O=c1ccn(C(F)F)cc1Br | |
What is the building block token for the following molecule? | O=c1ccn(C(F)F)cc1Br | <BB_3026> |
What is the molecular formula for <BB_3026>? | The molecular formula for <BB_3026> (O=c1ccn(C(F)F)cc1Br) is C6H4BrF2NO. | |
Describe the ring structures in building block <BB_3026>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3026>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3026>. | **Token:** <BB_3026>
**SMILES:** O=c1ccn(C(F)F)cc1Br
**Molecular Formula:** C6H4BrF2NO
**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_3027>. | CC(C)C(CC(=O)O)c1c[nH]c2c(Br)cccc12 | |
What is the building block token for the following molecule? | CC(C)C(CC(=O)O)c1c[nH]c2c(Br)cccc12 | <BB_3027> |
What is the molecular formula for <BB_3027>? | The molecular formula for <BB_3027> (CC(C)C(CC(=O)O)c1c[nH]c2c(Br)cccc12) is C14H16BrNO2. | |
Describe the ring structures in building block <BB_3027>. | 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_3027>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3027>. | **Token:** <BB_3027>
**SMILES:** CC(C)C(CC(=O)O)c1c[nH]c2c(Br)cccc12
**Molecular Formula:** C14H16BrNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_3028>. | N#Cc1ccc(C(F)(F)F)o1 | |
What is the building block token for the following molecule? | N#Cc1ccc(C(F)(F)F)o1 | <BB_3028> |
What is the molecular formula for <BB_3028>? | The molecular formula for <BB_3028> (N#Cc1ccc(C(F)(F)F)o1) is C6H2F3NO. | |
Describe the ring structures in building block <BB_3028>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3028>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_3028>. | **Token:** <BB_3028>
**SMILES:** N#Cc1ccc(C(F)(F)F)o1
**Molecular Formula:** C6H2F3NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_3029>. | O=Cc1cnc(-c2ccccc2)nc1 | |
What is the building block token for the following molecule? | O=Cc1cnc(-c2ccccc2)nc1 | <BB_3029> |
What is the molecular formula for <BB_3029>? | The molecular formula for <BB_3029> (O=Cc1cnc(-c2ccccc2)nc1) is C11H8N2O. | |
Describe the ring structures in building block <BB_3029>. | 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_3029>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_3029>. | **Token:** <BB_3029>
**SMILES:** O=Cc1cnc(-c2ccccc2)nc1
**Molecular Formula:** C11H8N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_3030>. | Cc1ccc(C(=O)O)c(=O)n1C | |
What is the building block token for the following molecule? | Cc1ccc(C(=O)O)c(=O)n1C | <BB_3030> |
What is the molecular formula for <BB_3030>? | The molecular formula for <BB_3030> (Cc1ccc(C(=O)O)c(=O)n1C) is C8H9NO3. | |
Describe the ring structures in building block <BB_3030>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3030>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_3030>. | **Token:** <BB_3030>
**SMILES:** Cc1ccc(C(=O)O)c(=O)n1C
**Molecular Formula:** C8H9NO3
**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_3031>. | CC1(NC(=O)OC(C)(C)C)CCNCC1 | |
What is the building block token for the following molecule? | CC1(NC(=O)OC(C)(C)C)CCNCC1 | <BB_3031> |
What is the molecular formula for <BB_3031>? | The molecular formula for <BB_3031> (CC1(NC(=O)OC(C)(C)C)CCNCC1) is C11H22N2O2. | |
Describe the ring structures in building block <BB_3031>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_3031>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3031>. | **Token:** <BB_3031>
**SMILES:** CC1(NC(=O)OC(C)(C)C)CCNCC1
**Molecular Formula:** C11H22N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_3032>. | CC(C)(C)OC(=O)N1CCNC2CCCCC2C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCNC2CCCCC2C1 | <BB_3032> |
What is the molecular formula for <BB_3032>? | The molecular formula for <BB_3032> (CC(C)(C)OC(=O)N1CCNC2CCCCC2C1) is C14H26N2O2. | |
Describe the ring structures in building block <BB_3032>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_3032>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3032>. | **Token:** <BB_3032>
**SMILES:** CC(C)(C)OC(=O)N1CCNC2CCCCC2C1
**Molecular Formula:** C14H26N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_3033>. | CCOC(=O)CCC(=O)C(F)(F)F | |
What is the building block token for the following molecule? | CCOC(=O)CCC(=O)C(F)(F)F | <BB_3033> |
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