instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_1200>. | CC(C#N)N=[N+]=[N-] | |
What is the building block token for the following molecule? | CC(C#N)N=[N+]=[N-] | <BB_1200> |
What is the molecular formula for <BB_1200>? | The molecular formula for <BB_1200> (CC(C#N)N=[N+]=[N-]) is C3H4N4. | |
Describe the ring structures in building block <BB_1200>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1200>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1200>. | **Token:** <BB_1200>
**SMILES:** CC(C#N)N=[N+]=[N-]
**Molecular Formula:** C3H4N4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_1201>. | CC1(C)OB(c2cnc3occc3c2)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(c2cnc3occc3c2)OC1(C)C | <BB_1201> |
What is the molecular formula for <BB_1201>? | The molecular formula for <BB_1201> (CC1(C)OB(c2cnc3occc3c2)OC1(C)C) is C13H16BNO3. | |
Describe the ring structures in building block <BB_1201>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1201>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1201>. | **Token:** <BB_1201>
**SMILES:** CC1(C)OB(c2cnc3occc3c2)OC1(C)C
**Molecular Formula:** C13H16BNO3
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_1202>. | O=C(CCl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | |
What is the building block token for the following molecule? | O=C(CCl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | <BB_1202> |
What is the molecular formula for <BB_1202>? | The molecular formula for <BB_1202> (O=C(CCl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1) is C10H6ClF6NO. | |
Describe the ring structures in building block <BB_1202>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1202>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1202>. | **Token:** <BB_1202>
**SMILES:** O=C(CCl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
**Molecular Formula:** C10H6ClF6NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1203>. | CCOC(=O)Cn1cc(C)c(C(F)(F)F)n1 | |
What is the building block token for the following molecule? | CCOC(=O)Cn1cc(C)c(C(F)(F)F)n1 | <BB_1203> |
What is the molecular formula for <BB_1203>? | The molecular formula for <BB_1203> (CCOC(=O)Cn1cc(C)c(C(F)(F)F)n1) is C9H11F3N2O2. | |
Describe the ring structures in building block <BB_1203>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1203>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1203>. | **Token:** <BB_1203>
**SMILES:** CCOC(=O)Cn1cc(C)c(C(F)(F)F)n1
**Molecular Formula:** C9H11F3N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1204>. | Cc1ccc(C(C)Cl)cc1C | |
What is the building block token for the following molecule? | Cc1ccc(C(C)Cl)cc1C | <BB_1204> |
What is the molecular formula for <BB_1204>? | The molecular formula for <BB_1204> (Cc1ccc(C(C)Cl)cc1C) is C10H13Cl. | |
Describe the ring structures in building block <BB_1204>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1204>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1204>. | **Token:** <BB_1204>
**SMILES:** Cc1ccc(C(C)Cl)cc1C
**Molecular Formula:** C10H13Cl
**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_1205>. | COc1ccc2c(c1)C(N)C(=O)N2.Cl | |
What is the building block token for the following molecule? | COc1ccc2c(c1)C(N)C(=O)N2.Cl | <BB_1205> |
What is the molecular formula for <BB_1205>? | The molecular formula for <BB_1205> (COc1ccc2c(c1)C(N)C(=O)N2.Cl) is C9H11ClN2O2. | |
Describe the ring structures in building block <BB_1205>. | 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_1205>. | The molecule contains the following groups: Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1205>. | **Token:** <BB_1205>
**SMILES:** COc1ccc2c(c1)C(N)C(=O)N2.Cl
**Molecular Formula:** C9H11ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1206>. | CCn1c(CN)cnc1C.Cl.Cl | |
What is the building block token for the following molecule? | CCn1c(CN)cnc1C.Cl.Cl | <BB_1206> |
What is the molecular formula for <BB_1206>? | The molecular formula for <BB_1206> (CCn1c(CN)cnc1C.Cl.Cl) is C7H15Cl2N3. | |
Describe the ring structures in building block <BB_1206>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1206>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1206>. | **Token:** <BB_1206>
**SMILES:** CCn1c(CN)cnc1C.Cl.Cl
**Molecular Formula:** C7H15Cl2N3
**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_1207>. | CCC(=O)C1CC1(C)C | |
What is the building block token for the following molecule? | CCC(=O)C1CC1(C)C | <BB_1207> |
What is the molecular formula for <BB_1207>? | The molecular formula for <BB_1207> (CCC(=O)C1CC1(C)C) is C8H14O. | |
Describe the ring structures in building block <BB_1207>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1207>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_1207>. | **Token:** <BB_1207>
**SMILES:** CCC(=O)C1CC1(C)C
**Molecular Formula:** C8H14O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_1208>. | COC(=O)[C@H]1C[C@H](OC)CN1.Cl | |
What is the building block token for the following molecule? | COC(=O)[C@H]1C[C@H](OC)CN1.Cl | <BB_1208> |
What is the molecular formula for <BB_1208>? | The molecular formula for <BB_1208> (COC(=O)[C@H]1C[C@H](OC)CN1.Cl) is C7H14ClNO3. | |
Describe the ring structures in building block <BB_1208>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1208>. | 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_1208>. | **Token:** <BB_1208>
**SMILES:** COC(=O)[C@H]1C[C@H](OC)CN1.Cl
**Molecular Formula:** C7H14ClNO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1209>. | CCC(C)C(=O)CN.Cl | |
What is the building block token for the following molecule? | CCC(C)C(=O)CN.Cl | <BB_1209> |
What is the molecular formula for <BB_1209>? | The molecular formula for <BB_1209> (CCC(C)C(=O)CN.Cl) is C6H14ClNO. | |
Describe the ring structures in building block <BB_1209>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1209>. | The molecule contains the following groups: Amine, Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1209>. | **Token:** <BB_1209>
**SMILES:** CCC(C)C(=O)CN.Cl
**Molecular Formula:** C6H14ClNO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1210>. | O=S(=O)(Cl)c1cc(Cl)ccc1OC(F)(F)F | |
What is the building block token for the following molecule? | O=S(=O)(Cl)c1cc(Cl)ccc1OC(F)(F)F | <BB_1210> |
What is the molecular formula for <BB_1210>? | The molecular formula for <BB_1210> (O=S(=O)(Cl)c1cc(Cl)ccc1OC(F)(F)F) is C7H3Cl2F3O3S. | |
Describe the ring structures in building block <BB_1210>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1210>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1210>. | **Token:** <BB_1210>
**SMILES:** O=S(=O)(Cl)c1cc(Cl)ccc1OC(F)(F)F
**Molecular Formula:** C7H3Cl2F3O3S
**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_1211>. | CS(=O)(=O)[C@H]1C[C@H](O)C1 | |
What is the building block token for the following molecule? | CS(=O)(=O)[C@H]1C[C@H](O)C1 | <BB_1211> |
What is the molecular formula for <BB_1211>? | The molecular formula for <BB_1211> (CS(=O)(=O)[C@H]1C[C@H](O)C1) is C5H10O3S. | |
Describe the ring structures in building block <BB_1211>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1211>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_1211>. | **Token:** <BB_1211>
**SMILES:** CS(=O)(=O)[C@H]1C[C@H](O)C1
**Molecular Formula:** C5H10O3S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_1212>. | COC(=O)Cn1ncc(N)n1 | |
What is the building block token for the following molecule? | COC(=O)Cn1ncc(N)n1 | <BB_1212> |
What is the molecular formula for <BB_1212>? | The molecular formula for <BB_1212> (COC(=O)Cn1ncc(N)n1) is C5H8N4O2. | |
Describe the ring structures in building block <BB_1212>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1212>. | The molecule contains the following groups: Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1212>. | **Token:** <BB_1212>
**SMILES:** COC(=O)Cn1ncc(N)n1
**Molecular Formula:** C5H8N4O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1213>. | Cc1ccnc(C)c1N | |
What is the building block token for the following molecule? | Cc1ccnc(C)c1N | <BB_1213> |
What is the molecular formula for <BB_1213>? | The molecular formula for <BB_1213> (Cc1ccnc(C)c1N) is C7H10N2. | |
Describe the ring structures in building block <BB_1213>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1213>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1213>. | **Token:** <BB_1213>
**SMILES:** Cc1ccnc(C)c1N
**Molecular Formula:** C7H10N2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_1214>. | CC(C)(C)OC(=O)NC1(CO)CC(C[Si](C)(C)C)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC1(CO)CC(C[Si](C)(C)C)C1 | <BB_1214> |
What is the molecular formula for <BB_1214>? | The molecular formula for <BB_1214> (CC(C)(C)OC(=O)NC1(CO)CC(C[Si](C)(C)C)C1) is C14H29NO3Si. | |
Describe the ring structures in building block <BB_1214>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1214>. | The molecule contains the following groups: Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1214>. | **Token:** <BB_1214>
**SMILES:** CC(C)(C)OC(=O)NC1(CO)CC(C[Si](C)(C)C)C1
**Molecular Formula:** C14H29NO3Si
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_1215>. | CC(C)(C)OC(=O)NC(C)(CC1CCC1)C(=O)O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC(C)(CC1CCC1)C(=O)O | <BB_1215> |
What is the molecular formula for <BB_1215>? | The molecular formula for <BB_1215> (CC(C)(C)OC(=O)NC(C)(CC1CCC1)C(=O)O) is C13H23NO4. | |
Describe the ring structures in building block <BB_1215>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1215>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1215>. | **Token:** <BB_1215>
**SMILES:** CC(C)(C)OC(=O)NC(C)(CC1CCC1)C(=O)O
**Molecular Formula:** C13H23NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1216>. | COc1ncnc(C)c1C(=O)O | |
What is the building block token for the following molecule? | COc1ncnc(C)c1C(=O)O | <BB_1216> |
What is the molecular formula for <BB_1216>? | The molecular formula for <BB_1216> (COc1ncnc(C)c1C(=O)O) is C7H8N2O3. | |
Describe the ring structures in building block <BB_1216>. | The molecule contains 1 ring(s): an aromatic ring of size 6. |
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