instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_1316>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1316>. | **Token:** <BB_1316>
**SMILES:** Cc1ccc(-c2cc(C(=O)NN)[nH]n2)cc1C
**Molecular Formula:** C12H14N4O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_1317>. | COc1ccc(CN)cc1NC(C)=O | |
What is the building block token for the following molecule? | COc1ccc(CN)cc1NC(C)=O | <BB_1317> |
What is the molecular formula for <BB_1317>? | The molecular formula for <BB_1317> (COc1ccc(CN)cc1NC(C)=O) is C10H14N2O2. | |
Describe the ring structures in building block <BB_1317>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1317>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1317>. | **Token:** <BB_1317>
**SMILES:** COc1ccc(CN)cc1NC(C)=O
**Molecular Formula:** C10H14N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1318>. | Cc1nnc(C23CC(CN2)C3)o1 | |
What is the building block token for the following molecule? | Cc1nnc(C23CC(CN2)C3)o1 | <BB_1318> |
What is the molecular formula for <BB_1318>? | The molecular formula for <BB_1318> (Cc1nnc(C23CC(CN2)C3)o1) is C8H11N3O. | |
Describe the ring structures in building block <BB_1318>. | The molecule contains 4 ring(s): an aliphatic ring of size 4, an aromatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1318>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1318>. | **Token:** <BB_1318>
**SMILES:** Cc1nnc(C23CC(CN2)C3)o1
**Molecular Formula:** C8H11N3O
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 4, an aromatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_1319>. | Cl.Cl.NC1(Cn2cccn2)CC(F)(F)C1 | |
What is the building block token for the following molecule? | Cl.Cl.NC1(Cn2cccn2)CC(F)(F)C1 | <BB_1319> |
What is the molecular formula for <BB_1319>? | The molecular formula for <BB_1319> (Cl.Cl.NC1(Cn2cccn2)CC(F)(F)C1) is C8H13Cl2F2N3. | |
Describe the ring structures in building block <BB_1319>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1319>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1319>. | **Token:** <BB_1319>
**SMILES:** Cl.Cl.NC1(Cn2cccn2)CC(F)(F)C1
**Molecular Formula:** C8H13Cl2F2N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1320>. | CCCc1cc(C(=O)O)ccc1Cl | |
What is the building block token for the following molecule? | CCCc1cc(C(=O)O)ccc1Cl | <BB_1320> |
What is the molecular formula for <BB_1320>? | The molecular formula for <BB_1320> (CCCc1cc(C(=O)O)ccc1Cl) is C10H11ClO2. | |
Describe the ring structures in building block <BB_1320>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1320>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1320>. | **Token:** <BB_1320>
**SMILES:** CCCc1cc(C(=O)O)ccc1Cl
**Molecular Formula:** C10H11ClO2
**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_1321>. | O=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1 | <BB_1321> |
What is the molecular formula for <BB_1321>? | The molecular formula for <BB_1321> (O=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1) is C11H12O4S. | |
Describe the ring structures in building block <BB_1321>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1321>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1321>. | **Token:** <BB_1321>
**SMILES:** O=C(O)c1ccc(S(=O)(=O)C2CCC2)cc1
**Molecular Formula:** C11H12O4S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1322>. | CCC(C)(NC(C)=O)C(N)=S | |
What is the building block token for the following molecule? | CCC(C)(NC(C)=O)C(N)=S | <BB_1322> |
What is the molecular formula for <BB_1322>? | The molecular formula for <BB_1322> (CCC(C)(NC(C)=O)C(N)=S) is C7H14N2OS. | |
Describe the ring structures in building block <BB_1322>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1322>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1322>. | **Token:** <BB_1322>
**SMILES:** CCC(C)(NC(C)=O)C(N)=S
**Molecular Formula:** C7H14N2OS
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_1323>. | C#CC(C)OCC | |
What is the building block token for the following molecule? | C#CC(C)OCC | <BB_1323> |
What is the molecular formula for <BB_1323>? | The molecular formula for <BB_1323> (C#CC(C)OCC) is C6H10O. | |
Describe the ring structures in building block <BB_1323>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1323>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1323>. | **Token:** <BB_1323>
**SMILES:** C#CC(C)OCC
**Molecular Formula:** C6H10O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_1324>. | CC(=O)Nc1cc(Cl)ccn1 | |
What is the building block token for the following molecule? | CC(=O)Nc1cc(Cl)ccn1 | <BB_1324> |
What is the molecular formula for <BB_1324>? | The molecular formula for <BB_1324> (CC(=O)Nc1cc(Cl)ccn1) is C7H7ClN2O. | |
Describe the ring structures in building block <BB_1324>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1324>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1324>. | **Token:** <BB_1324>
**SMILES:** CC(=O)Nc1cc(Cl)ccn1
**Molecular Formula:** C7H7ClN2O
**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_1325>. | COC(=O)c1cnc2[nH]cc(Br)c2c1 | |
What is the building block token for the following molecule? | COC(=O)c1cnc2[nH]cc(Br)c2c1 | <BB_1325> |
What is the molecular formula for <BB_1325>? | The molecular formula for <BB_1325> (COC(=O)c1cnc2[nH]cc(Br)c2c1) is C9H7BrN2O2. | |
Describe the ring structures in building block <BB_1325>. | 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_1325>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1325>. | **Token:** <BB_1325>
**SMILES:** COC(=O)c1cnc2[nH]cc(Br)c2c1
**Molecular Formula:** C9H7BrN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, 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_1326>. | O=c1c2ccccc2nc2n1CCOC2 | |
What is the building block token for the following molecule? | O=c1c2ccccc2nc2n1CCOC2 | <BB_1326> |
What is the molecular formula for <BB_1326>? | The molecular formula for <BB_1326> (O=c1c2ccccc2nc2n1CCOC2) is C11H10N2O2. | |
Describe the ring structures in building block <BB_1326>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1326>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1326>. | **Token:** <BB_1326>
**SMILES:** O=c1c2ccccc2nc2n1CCOC2
**Molecular Formula:** C11H10N2O2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_1327>. | CN1C(=O)NC(=O)C1(C)C | |
What is the building block token for the following molecule? | CN1C(=O)NC(=O)C1(C)C | <BB_1327> |
What is the molecular formula for <BB_1327>? | The molecular formula for <BB_1327> (CN1C(=O)NC(=O)C1(C)C) is C6H10N2O2. | |
Describe the ring structures in building block <BB_1327>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1327>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1327>. | **Token:** <BB_1327>
**SMILES:** CN1C(=O)NC(=O)C1(C)C
**Molecular Formula:** C6H10N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_1328>. | C#Cc1ccc(Cl)cc1OC | |
What is the building block token for the following molecule? | C#Cc1ccc(Cl)cc1OC | <BB_1328> |
What is the molecular formula for <BB_1328>? | The molecular formula for <BB_1328> (C#Cc1ccc(Cl)cc1OC) is C9H7ClO. | |
Describe the ring structures in building block <BB_1328>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1328>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1328>. | **Token:** <BB_1328>
**SMILES:** C#Cc1ccc(Cl)cc1OC
**Molecular Formula:** C9H7ClO
**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_1329>. | Cl.O=S1CC2CNCC(C2)C1 | |
What is the building block token for the following molecule? | Cl.O=S1CC2CNCC(C2)C1 | <BB_1329> |
What is the molecular formula for <BB_1329>? | The molecular formula for <BB_1329> (Cl.O=S1CC2CNCC(C2)C1) is C7H14ClNOS. | |
Describe the ring structures in building block <BB_1329>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1329>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1329>. | **Token:** <BB_1329>
**SMILES:** Cl.O=S1CC2CNCC(C2)C1
**Molecular Formula:** C7H14ClNOS
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, 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_1330>. | Cl.NCC12CC(C(=O)O)(C1)C1(CCC1)O2 | |
What is the building block token for the following molecule? | Cl.NCC12CC(C(=O)O)(C1)C1(CCC1)O2 | <BB_1330> |
What is the molecular formula for <BB_1330>? | The molecular formula for <BB_1330> (Cl.NCC12CC(C(=O)O)(C1)C1(CCC1)O2) is C10H16ClNO3. | |
Describe the ring structures in building block <BB_1330>. | The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1330>. | The molecule contains the following groups: Carboxylic Acid, Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1330>. | **Token:** <BB_1330>
**SMILES:** Cl.NCC12CC(C(=O)O)(C1)C1(CCC1)O2
**Molecular Formula:** C10H16ClNO3
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1331>. | Cc1nc2cnccc2c(=O)[nH]1 | |
What is the building block token for the following molecule? | Cc1nc2cnccc2c(=O)[nH]1 | <BB_1331> |
What is the molecular formula for <BB_1331>? | The molecular formula for <BB_1331> (Cc1nc2cnccc2c(=O)[nH]1) is C8H7N3O. | |
Describe the ring structures in building block <BB_1331>. | 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_1331>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1331>. | **Token:** <BB_1331>
**SMILES:** Cc1nc2cnccc2c(=O)[nH]1
**Molecular Formula:** C8H7N3O
**Ring System:** The molecule contains 2 ring(s): 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_1332>. | Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(CO)CC2)n1 | |
What is the building block token for the following molecule? | Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(CO)CC2)n1 | <BB_1332> |
What is the molecular formula for <BB_1332>? | The molecular formula for <BB_1332> (Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(CO)CC2)n1) is C11H16N4O4. | |
Describe the ring structures in building block <BB_1332>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1332>. | The molecule contains the following groups: Tertiary Amine, Amide, Alcohol, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1332>. | **Token:** <BB_1332>
**SMILES:** Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(CO)CC2)n1
**Molecular Formula:** C11H16N4O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide, Alcohol, Nitro | |
Provide the SMILES representation for the building block token <BB_1333>. | Cc1cc(C(=O)O)nn1-c1ccccc1Br | |
What is the building block token for the following molecule? | Cc1cc(C(=O)O)nn1-c1ccccc1Br | <BB_1333> |
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