instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_1133>? | The molecular formula for <BB_1133> (Cl.O=C(c1ccccn1)N1CCNCC1) is C10H14ClN3O. | |
Describe the ring structures in building block <BB_1133>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1133>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1133>. | **Token:** <BB_1133>
**SMILES:** Cl.O=C(c1ccccn1)N1CCNCC1
**Molecular Formula:** C10H14ClN3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1134>. | O=C(NC1CC1)C(Cl)c1ccc(F)cc1 | |
What is the building block token for the following molecule? | O=C(NC1CC1)C(Cl)c1ccc(F)cc1 | <BB_1134> |
What is the molecular formula for <BB_1134>? | The molecular formula for <BB_1134> (O=C(NC1CC1)C(Cl)c1ccc(F)cc1) is C11H11ClFNO. | |
Describe the ring structures in building block <BB_1134>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1134>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1134>. | **Token:** <BB_1134>
**SMILES:** O=C(NC1CC1)C(Cl)c1ccc(F)cc1
**Molecular Formula:** C11H11ClFNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1135>. | CC(=O)c1cccc(-c2cn[nH]c2)c1 | |
What is the building block token for the following molecule? | CC(=O)c1cccc(-c2cn[nH]c2)c1 | <BB_1135> |
What is the molecular formula for <BB_1135>? | The molecular formula for <BB_1135> (CC(=O)c1cccc(-c2cn[nH]c2)c1) is C11H10N2O. | |
Describe the ring structures in building block <BB_1135>. | 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_1135>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_1135>. | **Token:** <BB_1135>
**SMILES:** CC(=O)c1cccc(-c2cn[nH]c2)c1
**Molecular Formula:** C11H10N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_1136>. | NNS(=O)(=O)c1ccc2c(c1)OCCO2 | |
What is the building block token for the following molecule? | NNS(=O)(=O)c1ccc2c(c1)OCCO2 | <BB_1136> |
What is the molecular formula for <BB_1136>? | The molecular formula for <BB_1136> (NNS(=O)(=O)c1ccc2c(c1)OCCO2) is C8H10N2O4S. | |
Describe the ring structures in building block <BB_1136>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1136>. | The molecule contains the following groups: Amine, Secondary Amine, Ether, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1136>. | **Token:** <BB_1136>
**SMILES:** NNS(=O)(=O)c1ccc2c(c1)OCCO2
**Molecular Formula:** C8H10N2O4S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Ether, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1137>. | Cl.NCc1cccc(C2CC2)c1 | |
What is the building block token for the following molecule? | Cl.NCc1cccc(C2CC2)c1 | <BB_1137> |
What is the molecular formula for <BB_1137>? | The molecular formula for <BB_1137> (Cl.NCc1cccc(C2CC2)c1) is C10H14ClN. | |
Describe the ring structures in building block <BB_1137>. | 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_1137>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1137>. | **Token:** <BB_1137>
**SMILES:** Cl.NCc1cccc(C2CC2)c1
**Molecular Formula:** C10H14ClN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1138>. | O=C1c2ccccc2C(=O)N1OC1C=CCC1 | |
What is the building block token for the following molecule? | O=C1c2ccccc2C(=O)N1OC1C=CCC1 | <BB_1138> |
What is the molecular formula for <BB_1138>? | The molecular formula for <BB_1138> (O=C1c2ccccc2C(=O)N1OC1C=CCC1) is C13H11NO3. | |
Describe the ring structures in building block <BB_1138>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1138>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1138>. | **Token:** <BB_1138>
**SMILES:** O=C1c2ccccc2C(=O)N1OC1C=CCC1
**Molecular Formula:** C13H11NO3
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_1139>. | COc1ccc(C=O)cc1F | |
What is the building block token for the following molecule? | COc1ccc(C=O)cc1F | <BB_1139> |
What is the molecular formula for <BB_1139>? | The molecular formula for <BB_1139> (COc1ccc(C=O)cc1F) is C8H7FO2. | |
Describe the ring structures in building block <BB_1139>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1139>. | The molecule contains the following groups: Aldehyde, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1139>. | **Token:** <BB_1139>
**SMILES:** COc1ccc(C=O)cc1F
**Molecular Formula:** C8H7FO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1140>. | Cc1ncc(C2CCNC2)s1.Cl.Cl | |
What is the building block token for the following molecule? | Cc1ncc(C2CCNC2)s1.Cl.Cl | <BB_1140> |
What is the molecular formula for <BB_1140>? | The molecular formula for <BB_1140> (Cc1ncc(C2CCNC2)s1.Cl.Cl) is C8H14Cl2N2S. | |
Describe the ring structures in building block <BB_1140>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1140>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1140>. | **Token:** <BB_1140>
**SMILES:** Cc1ncc(C2CCNC2)s1.Cl.Cl
**Molecular Formula:** C8H14Cl2N2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1141>. | N#CCCOCCC#N | |
What is the building block token for the following molecule? | N#CCCOCCC#N | <BB_1141> |
What is the molecular formula for <BB_1141>? | The molecular formula for <BB_1141> (N#CCCOCCC#N) is C6H8N2O. | |
Describe the ring structures in building block <BB_1141>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1141>. | The molecule contains the following groups: Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1141>. | **Token:** <BB_1141>
**SMILES:** N#CCCOCCC#N
**Molecular Formula:** C6H8N2O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_1142>. | NC(=O)c1ccnc(Cl)c1Br | |
What is the building block token for the following molecule? | NC(=O)c1ccnc(Cl)c1Br | <BB_1142> |
What is the molecular formula for <BB_1142>? | The molecular formula for <BB_1142> (NC(=O)c1ccnc(Cl)c1Br) is C6H4BrClN2O. | |
Describe the ring structures in building block <BB_1142>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1142>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1142>. | **Token:** <BB_1142>
**SMILES:** NC(=O)c1ccnc(Cl)c1Br
**Molecular Formula:** C6H4BrClN2O
**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_1143>. | CCOC(=O)CSc1ccc([C@@H](C)O)cc1 | |
What is the building block token for the following molecule? | CCOC(=O)CSc1ccc([C@@H](C)O)cc1 | <BB_1143> |
What is the molecular formula for <BB_1143>? | The molecular formula for <BB_1143> (CCOC(=O)CSc1ccc([C@@H](C)O)cc1) is C12H16O3S. | |
Describe the ring structures in building block <BB_1143>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1143>. | The molecule contains the following groups: Ester, Alcohol, Ether, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_1143>. | **Token:** <BB_1143>
**SMILES:** CCOC(=O)CSc1ccc([C@@H](C)O)cc1
**Molecular Formula:** C12H16O3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Alcohol, Ether, Sulfide | |
Provide the SMILES representation for the building block token <BB_1144>. | CC(C)(C(=O)O)c1ccc(F)cc1Cl | |
What is the building block token for the following molecule? | CC(C)(C(=O)O)c1ccc(F)cc1Cl | <BB_1144> |
What is the molecular formula for <BB_1144>? | The molecular formula for <BB_1144> (CC(C)(C(=O)O)c1ccc(F)cc1Cl) is C10H10ClFO2. | |
Describe the ring structures in building block <BB_1144>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1144>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1144>. | **Token:** <BB_1144>
**SMILES:** CC(C)(C(=O)O)c1ccc(F)cc1Cl
**Molecular Formula:** C10H10ClFO2
**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_1145>. | NNc1ccnc(Cl)c1 | |
What is the building block token for the following molecule? | NNc1ccnc(Cl)c1 | <BB_1145> |
What is the molecular formula for <BB_1145>? | The molecular formula for <BB_1145> (NNc1ccnc(Cl)c1) is C5H6ClN3. | |
Describe the ring structures in building block <BB_1145>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1145>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1145>. | **Token:** <BB_1145>
**SMILES:** NNc1ccnc(Cl)c1
**Molecular Formula:** C5H6ClN3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1146>. | CCn1cc(C)c(C=O)n1 | |
What is the building block token for the following molecule? | CCn1cc(C)c(C=O)n1 | <BB_1146> |
What is the molecular formula for <BB_1146>? | The molecular formula for <BB_1146> (CCn1cc(C)c(C=O)n1) is C7H10N2O. | |
Describe the ring structures in building block <BB_1146>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1146>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_1146>. | **Token:** <BB_1146>
**SMILES:** CCn1cc(C)c(C=O)n1
**Molecular Formula:** C7H10N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_1147>. | CC1=CCNCC1.Cl | |
What is the building block token for the following molecule? | CC1=CCNCC1.Cl | <BB_1147> |
What is the molecular formula for <BB_1147>? | The molecular formula for <BB_1147> (CC1=CCNCC1.Cl) is C6H12ClN. | |
Describe the ring structures in building block <BB_1147>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1147>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1147>. | **Token:** <BB_1147>
**SMILES:** CC1=CCNCC1.Cl
**Molecular Formula:** C6H12ClN
**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_1148>. | CC1(C)CN(O)C1=O.Cl | |
What is the building block token for the following molecule? | CC1(C)CN(O)C1=O.Cl | <BB_1148> |
What is the molecular formula for <BB_1148>? | The molecular formula for <BB_1148> (CC1(C)CN(O)C1=O.Cl) is C5H10ClNO2. | |
Describe the ring structures in building block <BB_1148>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1148>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1148>. | **Token:** <BB_1148>
**SMILES:** CC1(C)CN(O)C1=O.Cl
**Molecular Formula:** C5H10ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1149>. | CCC(=O)Nc1nnc(S(N)(=O)=O)s1 | |
What is the building block token for the following molecule? | CCC(=O)Nc1nnc(S(N)(=O)=O)s1 | <BB_1149> |
What is the molecular formula for <BB_1149>? | The molecular formula for <BB_1149> (CCC(=O)Nc1nnc(S(N)(=O)=O)s1) is C5H8N4O3S2. | |
Describe the ring structures in building block <BB_1149>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1149>. | The molecule contains the following groups: Amine, Amide, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1149>. | **Token:** <BB_1149>
**SMILES:** CCC(=O)Nc1nnc(S(N)(=O)=O)s1
**Molecular Formula:** C5H8N4O3S2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Amide, Sulfonamide |
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