instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_2666>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2666>. | **Token:** <BB_2666>
**SMILES:** CC(C)(C)C(C)(CBr)CBr
**Molecular Formula:** C8H16Br2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2667>. | CC(C)(C)OC(=O)N1CCc2cnc(N)nc2C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCc2cnc(N)nc2C1 | <BB_2667> |
What is the molecular formula for <BB_2667>? | The molecular formula for <BB_2667> (CC(C)(C)OC(=O)N1CCc2cnc(N)nc2C1) is C12H18N4O2. | |
Describe the ring structures in building block <BB_2667>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2667>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2667>. | **Token:** <BB_2667>
**SMILES:** CC(C)(C)OC(=O)N1CCc2cnc(N)nc2C1
**Molecular Formula:** C12H18N4O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2668>. | COc1ccc(-c2ncccn2)cc1Br | |
What is the building block token for the following molecule? | COc1ccc(-c2ncccn2)cc1Br | <BB_2668> |
What is the molecular formula for <BB_2668>? | The molecular formula for <BB_2668> (COc1ccc(-c2ncccn2)cc1Br) is C11H9BrN2O. | |
Describe the ring structures in building block <BB_2668>. | 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_2668>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2668>. | **Token:** <BB_2668>
**SMILES:** COc1ccc(-c2ncccn2)cc1Br
**Molecular Formula:** C11H9BrN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2669>. | CCC(CN)Oc1ccccc1C(F)(F)F.Cl | |
What is the building block token for the following molecule? | CCC(CN)Oc1ccccc1C(F)(F)F.Cl | <BB_2669> |
What is the molecular formula for <BB_2669>? | The molecular formula for <BB_2669> (CCC(CN)Oc1ccccc1C(F)(F)F.Cl) is C11H15ClF3NO. | |
Describe the ring structures in building block <BB_2669>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2669>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2669>. | **Token:** <BB_2669>
**SMILES:** CCC(CN)Oc1ccccc1C(F)(F)F.Cl
**Molecular Formula:** C11H15ClF3NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2670>. | CC(C)(C)c1ncc(I)o1 | |
What is the building block token for the following molecule? | CC(C)(C)c1ncc(I)o1 | <BB_2670> |
What is the molecular formula for <BB_2670>? | The molecular formula for <BB_2670> (CC(C)(C)c1ncc(I)o1) is C7H10INO. | |
Describe the ring structures in building block <BB_2670>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2670>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2670>. | **Token:** <BB_2670>
**SMILES:** CC(C)(C)c1ncc(I)o1
**Molecular Formula:** C7H10INO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2671>. | FCC(F)c1ccc(Br)cc1 | |
What is the building block token for the following molecule? | FCC(F)c1ccc(Br)cc1 | <BB_2671> |
What is the molecular formula for <BB_2671>? | The molecular formula for <BB_2671> (FCC(F)c1ccc(Br)cc1) is C8H7BrF2. | |
Describe the ring structures in building block <BB_2671>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2671>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2671>. | **Token:** <BB_2671>
**SMILES:** FCC(F)c1ccc(Br)cc1
**Molecular Formula:** C8H7BrF2
**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_2672>. | O=C(O)c1ccc(S(=O)(=O)c2ccccc2)cc1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc(S(=O)(=O)c2ccccc2)cc1 | <BB_2672> |
What is the molecular formula for <BB_2672>? | The molecular formula for <BB_2672> (O=C(O)c1ccc(S(=O)(=O)c2ccccc2)cc1) is C13H10O4S. | |
Describe the ring structures in building block <BB_2672>. | 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_2672>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2672>. | **Token:** <BB_2672>
**SMILES:** O=C(O)c1ccc(S(=O)(=O)c2ccccc2)cc1
**Molecular Formula:** C13H10O4S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2673>. | Cl.Cl.c1cnc2sc(C3CCNCC3)nc2c1 | |
What is the building block token for the following molecule? | Cl.Cl.c1cnc2sc(C3CCNCC3)nc2c1 | <BB_2673> |
What is the molecular formula for <BB_2673>? | The molecular formula for <BB_2673> (Cl.Cl.c1cnc2sc(C3CCNCC3)nc2c1) is C11H15Cl2N3S. | |
Describe the ring structures in building block <BB_2673>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2673>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2673>. | **Token:** <BB_2673>
**SMILES:** Cl.Cl.c1cnc2sc(C3CCNCC3)nc2c1
**Molecular Formula:** C11H15Cl2N3S
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, 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_2674>. | CCOC(=O)c1nc2n(c1Br)CCNC2.Cl | |
What is the building block token for the following molecule? | CCOC(=O)c1nc2n(c1Br)CCNC2.Cl | <BB_2674> |
What is the molecular formula for <BB_2674>? | The molecular formula for <BB_2674> (CCOC(=O)c1nc2n(c1Br)CCNC2.Cl) is C9H13BrClN3O2. | |
Describe the ring structures in building block <BB_2674>. | 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_2674>. | 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_2674>. | **Token:** <BB_2674>
**SMILES:** CCOC(=O)c1nc2n(c1Br)CCNC2.Cl
**Molecular Formula:** C9H13BrClN3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic 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_2675>. | Nc1oncc1-c1cccc(F)c1 | |
What is the building block token for the following molecule? | Nc1oncc1-c1cccc(F)c1 | <BB_2675> |
What is the molecular formula for <BB_2675>? | The molecular formula for <BB_2675> (Nc1oncc1-c1cccc(F)c1) is C9H7FN2O. | |
Describe the ring structures in building block <BB_2675>. | 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_2675>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2675>. | **Token:** <BB_2675>
**SMILES:** Nc1oncc1-c1cccc(F)c1
**Molecular Formula:** C9H7FN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2676>. | Cl.Cl.O=C1CNCCN1c1ccc(Br)cn1 | |
What is the building block token for the following molecule? | Cl.Cl.O=C1CNCCN1c1ccc(Br)cn1 | <BB_2676> |
What is the molecular formula for <BB_2676>? | The molecular formula for <BB_2676> (Cl.Cl.O=C1CNCCN1c1ccc(Br)cn1) is C9H12BrCl2N3O. | |
Describe the ring structures in building block <BB_2676>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2676>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2676>. | **Token:** <BB_2676>
**SMILES:** Cl.Cl.O=C1CNCCN1c1ccc(Br)cn1
**Molecular Formula:** C9H12BrCl2N3O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2677>. | O=C(O)c1ccc2ccnc(O)c2n1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc2ccnc(O)c2n1 | <BB_2677> |
What is the molecular formula for <BB_2677>? | The molecular formula for <BB_2677> (O=C(O)c1ccc2ccnc(O)c2n1) is C9H6N2O3. | |
Describe the ring structures in building block <BB_2677>. | 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_2677>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2677>. | **Token:** <BB_2677>
**SMILES:** O=C(O)c1ccc2ccnc(O)c2n1
**Molecular Formula:** C9H6N2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2678>. | Nc1ccccc1N1CC2CCC1C2 | |
What is the building block token for the following molecule? | Nc1ccccc1N1CC2CCC1C2 | <BB_2678> |
What is the molecular formula for <BB_2678>? | The molecular formula for <BB_2678> (Nc1ccccc1N1CC2CCC1C2) is C12H16N2. | |
Describe the ring structures in building block <BB_2678>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2678>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2678>. | **Token:** <BB_2678>
**SMILES:** Nc1ccccc1N1CC2CCC1C2
**Molecular Formula:** C12H16N2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_2679>. | CC(=O)NCC(=O)N(C)C | |
What is the building block token for the following molecule? | CC(=O)NCC(=O)N(C)C | <BB_2679> |
What is the molecular formula for <BB_2679>? | The molecular formula for <BB_2679> (CC(=O)NCC(=O)N(C)C) is C6H12N2O2. | |
Describe the ring structures in building block <BB_2679>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2679>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2679>. | **Token:** <BB_2679>
**SMILES:** CC(=O)NCC(=O)N(C)C
**Molecular Formula:** C6H12N2O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_2680>. | CCOC(COCC(OCC)OCC)OCC | |
What is the building block token for the following molecule? | CCOC(COCC(OCC)OCC)OCC | <BB_2680> |
What is the molecular formula for <BB_2680>? | The molecular formula for <BB_2680> (CCOC(COCC(OCC)OCC)OCC) is C12H26O5. | |
Describe the ring structures in building block <BB_2680>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2680>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2680>. | **Token:** <BB_2680>
**SMILES:** CCOC(COCC(OCC)OCC)OCC
**Molecular Formula:** C12H26O5
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_2681>. | Cc1ccc(C)c(C2CCNCC2)c1 | |
What is the building block token for the following molecule? | Cc1ccc(C)c(C2CCNCC2)c1 | <BB_2681> |
What is the molecular formula for <BB_2681>? | The molecular formula for <BB_2681> (Cc1ccc(C)c(C2CCNCC2)c1) is C13H19N. | |
Describe the ring structures in building block <BB_2681>. | 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_2681>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2681>. | **Token:** <BB_2681>
**SMILES:** Cc1ccc(C)c(C2CCNCC2)c1
**Molecular Formula:** C13H19N
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_2682>. | O=S(=O)(Cl)CCC1CCS(=O)(=O)C1 | |
What is the building block token for the following molecule? | O=S(=O)(Cl)CCC1CCS(=O)(=O)C1 | <BB_2682> |
What is the molecular formula for <BB_2682>? | The molecular formula for <BB_2682> (O=S(=O)(Cl)CCC1CCS(=O)(=O)C1) is C6H11ClO4S2. | |
Describe the ring structures in building block <BB_2682>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2682>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2682>. | **Token:** <BB_2682>
**SMILES:** O=S(=O)(Cl)CCC1CCS(=O)(=O)C1
**Molecular Formula:** C6H11ClO4S2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2683>. | Cc1cc2[nH]c(N)cc(=O)n2n1 | |
What is the building block token for the following molecule? | Cc1cc2[nH]c(N)cc(=O)n2n1 | <BB_2683> |
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