instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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What is the molecular formula for <BB_1033>? | The molecular formula for <BB_1033> (CCOC(C)CN.Cl) is C5H14ClNO. | |
Describe the ring structures in building block <BB_1033>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1033>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1033>. | **Token:** <BB_1033>
**SMILES:** CCOC(C)CN.Cl
**Molecular Formula:** C5H14ClNO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1034>. | CC(=O)c1cccc2ccccc12 | |
What is the building block token for the following molecule? | CC(=O)c1cccc2ccccc12 | <BB_1034> |
What is the molecular formula for <BB_1034>? | The molecular formula for <BB_1034> (CC(=O)c1cccc2ccccc12) is C12H10O. | |
Describe the ring structures in building block <BB_1034>. | 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_1034>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_1034>. | **Token:** <BB_1034>
**SMILES:** CC(=O)c1cccc2ccccc12
**Molecular Formula:** C12H10O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_1035>. | O=C(O)C1CCCN1S(=O)(=O)c1ccc(Br)cc1 | |
What is the building block token for the following molecule? | O=C(O)C1CCCN1S(=O)(=O)c1ccc(Br)cc1 | <BB_1035> |
What is the molecular formula for <BB_1035>? | The molecular formula for <BB_1035> (O=C(O)C1CCCN1S(=O)(=O)c1ccc(Br)cc1) is C11H12BrNO4S. | |
Describe the ring structures in building block <BB_1035>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1035>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1035>. | **Token:** <BB_1035>
**SMILES:** O=C(O)C1CCCN1S(=O)(=O)c1ccc(Br)cc1
**Molecular Formula:** C11H12BrNO4S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1036>. | O=C(O)/C=C/c1ccc(F)nc1 | |
What is the building block token for the following molecule? | O=C(O)/C=C/c1ccc(F)nc1 | <BB_1036> |
What is the molecular formula for <BB_1036>? | The molecular formula for <BB_1036> (O=C(O)/C=C/c1ccc(F)nc1) is C8H6FNO2. | |
Describe the ring structures in building block <BB_1036>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1036>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1036>. | **Token:** <BB_1036>
**SMILES:** O=C(O)/C=C/c1ccc(F)nc1
**Molecular Formula:** C8H6FNO2
**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_1037>. | Cc1ccc2[nH]cc(C=O)c2c1 | |
What is the building block token for the following molecule? | Cc1ccc2[nH]cc(C=O)c2c1 | <BB_1037> |
What is the molecular formula for <BB_1037>? | The molecular formula for <BB_1037> (Cc1ccc2[nH]cc(C=O)c2c1) is C10H9NO. | |
Describe the ring structures in building block <BB_1037>. | 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_1037>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_1037>. | **Token:** <BB_1037>
**SMILES:** Cc1ccc2[nH]cc(C=O)c2c1
**Molecular Formula:** C10H9NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_1038>. | COC(=O)c1sncc1C=O | |
What is the building block token for the following molecule? | COC(=O)c1sncc1C=O | <BB_1038> |
What is the molecular formula for <BB_1038>? | The molecular formula for <BB_1038> (COC(=O)c1sncc1C=O) is C6H5NO3S. | |
Describe the ring structures in building block <BB_1038>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1038>. | The molecule contains the following groups: Ester, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1038>. | **Token:** <BB_1038>
**SMILES:** COC(=O)c1sncc1C=O
**Molecular Formula:** C6H5NO3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_1039>. | CCCS(=O)(=O)N1CCCCC1C(=O)O | |
What is the building block token for the following molecule? | CCCS(=O)(=O)N1CCCCC1C(=O)O | <BB_1039> |
What is the molecular formula for <BB_1039>? | The molecular formula for <BB_1039> (CCCS(=O)(=O)N1CCCCC1C(=O)O) is C9H17NO4S. | |
Describe the ring structures in building block <BB_1039>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1039>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1039>. | **Token:** <BB_1039>
**SMILES:** CCCS(=O)(=O)N1CCCCC1C(=O)O
**Molecular Formula:** C9H17NO4S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1040>. | CNCC1(N)CC1.Cl.Cl | |
What is the building block token for the following molecule? | CNCC1(N)CC1.Cl.Cl | <BB_1040> |
What is the molecular formula for <BB_1040>? | The molecular formula for <BB_1040> (CNCC1(N)CC1.Cl.Cl) is C5H14Cl2N2. | |
Describe the ring structures in building block <BB_1040>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1040>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1040>. | **Token:** <BB_1040>
**SMILES:** CNCC1(N)CC1.Cl.Cl
**Molecular Formula:** C5H14Cl2N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1041>. | Cl.Cl.c1ccc(CN2CCC23CNC3)cc1 | |
What is the building block token for the following molecule? | Cl.Cl.c1ccc(CN2CCC23CNC3)cc1 | <BB_1041> |
What is the molecular formula for <BB_1041>? | The molecular formula for <BB_1041> (Cl.Cl.c1ccc(CN2CCC23CNC3)cc1) is C12H18Cl2N2. | |
Describe the ring structures in building block <BB_1041>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1041>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1041>. | **Token:** <BB_1041>
**SMILES:** Cl.Cl.c1ccc(CN2CCC23CNC3)cc1
**Molecular Formula:** C12H18Cl2N2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1042>. | CC(=O)c1cc(C(C)(C)C)ccc1N | |
What is the building block token for the following molecule? | CC(=O)c1cc(C(C)(C)C)ccc1N | <BB_1042> |
What is the molecular formula for <BB_1042>? | The molecular formula for <BB_1042> (CC(=O)c1cc(C(C)(C)C)ccc1N) is C12H17NO. | |
Describe the ring structures in building block <BB_1042>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1042>. | The molecule contains the following groups: Amine, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_1042>. | **Token:** <BB_1042>
**SMILES:** CC(=O)c1cc(C(C)(C)C)ccc1N
**Molecular Formula:** C12H17NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ketone | |
Provide the SMILES representation for the building block token <BB_1043>. | Cc1ccc(Cn2cnc3cc(C)c(C)cc32)cc1 | |
What is the building block token for the following molecule? | Cc1ccc(Cn2cnc3cc(C)c(C)cc32)cc1 | <BB_1043> |
What is the molecular formula for <BB_1043>? | The molecular formula for <BB_1043> (Cc1ccc(Cn2cnc3cc(C)c(C)cc32)cc1) is C17H18N2. | |
Describe the ring structures in building block <BB_1043>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1043>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1043>. | **Token:** <BB_1043>
**SMILES:** Cc1ccc(Cn2cnc3cc(C)c(C)cc32)cc1
**Molecular Formula:** C17H18N2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_1044>. | Cc1ccc(CS(=O)(=O)F)c(C)c1 | |
What is the building block token for the following molecule? | Cc1ccc(CS(=O)(=O)F)c(C)c1 | <BB_1044> |
What is the molecular formula for <BB_1044>? | The molecular formula for <BB_1044> (Cc1ccc(CS(=O)(=O)F)c(C)c1) is C9H11FO2S. | |
Describe the ring structures in building block <BB_1044>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1044>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1044>. | **Token:** <BB_1044>
**SMILES:** Cc1ccc(CS(=O)(=O)F)c(C)c1
**Molecular Formula:** C9H11FO2S
**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_1045>. | Cc1ccc(Cl)cc1NC(N)=S | |
What is the building block token for the following molecule? | Cc1ccc(Cl)cc1NC(N)=S | <BB_1045> |
What is the molecular formula for <BB_1045>? | The molecular formula for <BB_1045> (Cc1ccc(Cl)cc1NC(N)=S) is C8H9ClN2S. | |
Describe the ring structures in building block <BB_1045>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1045>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1045>. | **Token:** <BB_1045>
**SMILES:** Cc1ccc(Cl)cc1NC(N)=S
**Molecular Formula:** C8H9ClN2S
**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_1046>. | C=Cc1cc(OC)cc(OC)c1 | |
What is the building block token for the following molecule? | C=Cc1cc(OC)cc(OC)c1 | <BB_1046> |
What is the molecular formula for <BB_1046>? | The molecular formula for <BB_1046> (C=Cc1cc(OC)cc(OC)c1) is C10H12O2. | |
Describe the ring structures in building block <BB_1046>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1046>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1046>. | **Token:** <BB_1046>
**SMILES:** C=Cc1cc(OC)cc(OC)c1
**Molecular Formula:** C10H12O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_1047>. | Cc1ccnc(NC(C)C)c1N | |
What is the building block token for the following molecule? | Cc1ccnc(NC(C)C)c1N | <BB_1047> |
What is the molecular formula for <BB_1047>? | The molecular formula for <BB_1047> (Cc1ccnc(NC(C)C)c1N) is C9H15N3. | |
Describe the ring structures in building block <BB_1047>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1047>. | The molecule contains the following groups: Amine, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1047>. | **Token:** <BB_1047>
**SMILES:** Cc1ccnc(NC(C)C)c1N
**Molecular Formula:** C9H15N3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_1048>. | Nc1nnc(NC2CCc3ccccc32)[nH]1 | |
What is the building block token for the following molecule? | Nc1nnc(NC2CCc3ccccc32)[nH]1 | <BB_1048> |
What is the molecular formula for <BB_1048>? | The molecular formula for <BB_1048> (Nc1nnc(NC2CCc3ccccc32)[nH]1) is C11H13N5. | |
Describe the ring structures in building block <BB_1048>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1048>. | The molecule contains the following groups: Amine, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1048>. | **Token:** <BB_1048>
**SMILES:** Nc1nnc(NC2CCc3ccccc32)[nH]1
**Molecular Formula:** C11H13N5
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_1049>. | COc1cc(C)ncc1C(=O)[O-].[K+] | |
What is the building block token for the following molecule? | COc1cc(C)ncc1C(=O)[O-].[K+] | <BB_1049> |
What is the molecular formula for <BB_1049>? | The molecular formula for <BB_1049> (COc1cc(C)ncc1C(=O)[O-].[K+]) is C8H8KNO3. | |
Describe the ring structures in building block <BB_1049>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1049>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1049>. | **Token:** <BB_1049>
**SMILES:** COc1cc(C)ncc1C(=O)[O-].[K+]
**Molecular Formula:** C8H8KNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether |
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