instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_9833>? | The molecular formula for <BB_9833> (COc1ccc(OC)c2[nH]c(C(=O)O)cc12) is C11H11NO4. | |
Describe the ring structures in building block <BB_9833>. | 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_9833>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9833>. | **Token:** <BB_9833>
**SMILES:** COc1ccc(OC)c2[nH]c(C(=O)O)cc12
**Molecular Formula:** C11H11NO4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_9834>. | CC(F)(F)C(N)=NO | |
What is the building block token for the following molecule? | CC(F)(F)C(N)=NO | <BB_9834> |
What is the molecular formula for <BB_9834>? | The molecular formula for <BB_9834> (CC(F)(F)C(N)=NO) is C3H6F2N2O. | |
Describe the ring structures in building block <BB_9834>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9834>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9834>. | **Token:** <BB_9834>
**SMILES:** CC(F)(F)C(N)=NO
**Molecular Formula:** C3H6F2N2O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9835>. | Cc1cc(F)ccc1C(=O)N[C@H]1CCC[C@H]1C(=O)O | |
What is the building block token for the following molecule? | Cc1cc(F)ccc1C(=O)N[C@H]1CCC[C@H]1C(=O)O | <BB_9835> |
What is the molecular formula for <BB_9835>? | The molecular formula for <BB_9835> (Cc1cc(F)ccc1C(=O)N[C@H]1CCC[C@H]1C(=O)O) is C14H16FNO3. | |
Describe the ring structures in building block <BB_9835>. | 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_9835>. | The molecule contains the following groups: Carboxylic Acid, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9835>. | **Token:** <BB_9835>
**SMILES:** Cc1cc(F)ccc1C(=O)N[C@H]1CCC[C@H]1C(=O)O
**Molecular Formula:** C14H16FNO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9836>. | O=C([O-])c1cncc(F)c1F.[Li+] | |
What is the building block token for the following molecule? | O=C([O-])c1cncc(F)c1F.[Li+] | <BB_9836> |
What is the molecular formula for <BB_9836>? | The molecular formula for <BB_9836> (O=C([O-])c1cncc(F)c1F.[Li+]) is C6H2F2LiNO2. | |
Describe the ring structures in building block <BB_9836>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9836>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9836>. | **Token:** <BB_9836>
**SMILES:** O=C([O-])c1cncc(F)c1F.[Li+]
**Molecular Formula:** C6H2F2LiNO2
**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_9837>. | CNCc1ccc(SC(F)(F)F)cc1.Cl | |
What is the building block token for the following molecule? | CNCc1ccc(SC(F)(F)F)cc1.Cl | <BB_9837> |
What is the molecular formula for <BB_9837>? | The molecular formula for <BB_9837> (CNCc1ccc(SC(F)(F)F)cc1.Cl) is C9H11ClF3NS. | |
Describe the ring structures in building block <BB_9837>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9837>. | The molecule contains the following groups: Secondary Amine, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9837>. | **Token:** <BB_9837>
**SMILES:** CNCc1ccc(SC(F)(F)F)cc1.Cl
**Molecular Formula:** C9H11ClF3NS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9838>. | CC(=O)c1cc(Br)cnc1Br | |
What is the building block token for the following molecule? | CC(=O)c1cc(Br)cnc1Br | <BB_9838> |
What is the molecular formula for <BB_9838>? | The molecular formula for <BB_9838> (CC(=O)c1cc(Br)cnc1Br) is C7H5Br2NO. | |
Describe the ring structures in building block <BB_9838>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9838>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9838>. | **Token:** <BB_9838>
**SMILES:** CC(=O)c1cc(Br)cnc1Br
**Molecular Formula:** C7H5Br2NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9839>. | O=c1oc2c(O)c(O)ccc2c2c1CCCC2 | |
What is the building block token for the following molecule? | O=c1oc2c(O)c(O)ccc2c2c1CCCC2 | <BB_9839> |
What is the molecular formula for <BB_9839>? | The molecular formula for <BB_9839> (O=c1oc2c(O)c(O)ccc2c2c1CCCC2) is C13H12O4. | |
Describe the ring structures in building block <BB_9839>. | 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_9839>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9839>. | **Token:** <BB_9839>
**SMILES:** O=c1oc2c(O)c(O)ccc2c2c1CCCC2
**Molecular Formula:** C13H12O4
**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:** None specific | |
Provide the SMILES representation for the building block token <BB_9840>. | CC1(c2ccnc(NN)c2)OCCO1 | |
What is the building block token for the following molecule? | CC1(c2ccnc(NN)c2)OCCO1 | <BB_9840> |
What is the molecular formula for <BB_9840>? | The molecular formula for <BB_9840> (CC1(c2ccnc(NN)c2)OCCO1) is C9H13N3O2. | |
Describe the ring structures in building block <BB_9840>. | 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_9840>. | The molecule contains the following groups: Amine, Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9840>. | **Token:** <BB_9840>
**SMILES:** CC1(c2ccnc(NN)c2)OCCO1
**Molecular Formula:** C9H13N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9841>. | O=C(O)Cc1cc(F)c(F)c(F)c1 | |
What is the building block token for the following molecule? | O=C(O)Cc1cc(F)c(F)c(F)c1 | <BB_9841> |
What is the molecular formula for <BB_9841>? | The molecular formula for <BB_9841> (O=C(O)Cc1cc(F)c(F)c(F)c1) is C8H5F3O2. | |
Describe the ring structures in building block <BB_9841>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9841>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9841>. | **Token:** <BB_9841>
**SMILES:** O=C(O)Cc1cc(F)c(F)c(F)c1
**Molecular Formula:** C8H5F3O2
**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_9842>. | CSCc1ccco1 | |
What is the building block token for the following molecule? | CSCc1ccco1 | <BB_9842> |
What is the molecular formula for <BB_9842>? | The molecular formula for <BB_9842> (CSCc1ccco1) is C6H8OS. | |
Describe the ring structures in building block <BB_9842>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9842>. | The molecule contains the following groups: Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_9842>. | **Token:** <BB_9842>
**SMILES:** CSCc1ccco1
**Molecular Formula:** C6H8OS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Sulfide | |
Provide the SMILES representation for the building block token <BB_9843>. | C1CCNC2(CC1)CCC2.Cl | |
What is the building block token for the following molecule? | C1CCNC2(CC1)CCC2.Cl | <BB_9843> |
What is the molecular formula for <BB_9843>? | The molecular formula for <BB_9843> (C1CCNC2(CC1)CCC2.Cl) is C9H18ClN. | |
Describe the ring structures in building block <BB_9843>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9843>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9843>. | **Token:** <BB_9843>
**SMILES:** C1CCNC2(CC1)CCC2.Cl
**Molecular Formula:** C9H18ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9844>. | C=C(CO)c1cccc(C(F)(F)F)c1 | |
What is the building block token for the following molecule? | C=C(CO)c1cccc(C(F)(F)F)c1 | <BB_9844> |
What is the molecular formula for <BB_9844>? | The molecular formula for <BB_9844> (C=C(CO)c1cccc(C(F)(F)F)c1) is C10H9F3O. | |
Describe the ring structures in building block <BB_9844>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9844>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9844>. | **Token:** <BB_9844>
**SMILES:** C=C(CO)c1cccc(C(F)(F)F)c1
**Molecular Formula:** C10H9F3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9845>. | O[C@@H]1CCCC[C@H]1F | |
What is the building block token for the following molecule? | O[C@@H]1CCCC[C@H]1F | <BB_9845> |
What is the molecular formula for <BB_9845>? | The molecular formula for <BB_9845> (O[C@@H]1CCCC[C@H]1F) is C6H11FO. | |
Describe the ring structures in building block <BB_9845>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9845>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9845>. | **Token:** <BB_9845>
**SMILES:** O[C@@H]1CCCC[C@H]1F
**Molecular Formula:** C6H11FO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9846>. | Cc1cc(B(O)O)cc(C)c1C | |
What is the building block token for the following molecule? | Cc1cc(B(O)O)cc(C)c1C | <BB_9846> |
What is the molecular formula for <BB_9846>? | The molecular formula for <BB_9846> (Cc1cc(B(O)O)cc(C)c1C) is C9H13BO2. | |
Describe the ring structures in building block <BB_9846>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9846>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9846>. | **Token:** <BB_9846>
**SMILES:** Cc1cc(B(O)O)cc(C)c1C
**Molecular Formula:** C9H13BO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9847>. | C=CCCC(=O)c1ccccc1F | |
What is the building block token for the following molecule? | C=CCCC(=O)c1ccccc1F | <BB_9847> |
What is the molecular formula for <BB_9847>? | The molecular formula for <BB_9847> (C=CCCC(=O)c1ccccc1F) is C11H11FO. | |
Describe the ring structures in building block <BB_9847>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9847>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9847>. | **Token:** <BB_9847>
**SMILES:** C=CCCC(=O)c1ccccc1F
**Molecular Formula:** C11H11FO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9848>. | Cl.NCCC(F)(F)CC(=O)O | |
What is the building block token for the following molecule? | Cl.NCCC(F)(F)CC(=O)O | <BB_9848> |
What is the molecular formula for <BB_9848>? | The molecular formula for <BB_9848> (Cl.NCCC(F)(F)CC(=O)O) is C5H10ClF2NO2. | |
Describe the ring structures in building block <BB_9848>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9848>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9848>. | **Token:** <BB_9848>
**SMILES:** Cl.NCCC(F)(F)CC(=O)O
**Molecular Formula:** C5H10ClF2NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9849>. | O=C1NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]12 | |
What is the building block token for the following molecule? | O=C1NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]12 | <BB_9849> |
What is the molecular formula for <BB_9849>? | The molecular formula for <BB_9849> (O=C1NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]12) is C9H11NO2. | |
Describe the ring structures in building block <BB_9849>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9849>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9849>. | **Token:** <BB_9849>
**SMILES:** O=C1NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]12
**Molecular Formula:** C9H11NO2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Amide |
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