instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_9566>. | The molecule contains the following groups: Carboxylic Acid, Amide, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9566>. | **Token:** <BB_9566>
**SMILES:** O=C(O)c1ccc2c(c1)C(=O)NS(=O)(=O)O2
**Molecular Formula:** C8H5NO6S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9567>. | Cl.NC1CCCCC1 | |
What is the building block token for the following molecule? | Cl.NC1CCCCC1 | <BB_9567> |
What is the molecular formula for <BB_9567>? | The molecular formula for <BB_9567> (Cl.NC1CCCCC1) is C6H14ClN. | |
Describe the ring structures in building block <BB_9567>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9567>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9567>. | **Token:** <BB_9567>
**SMILES:** Cl.NC1CCCCC1
**Molecular Formula:** C6H14ClN
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9568>. | Fc1cc(F)c2sc(Br)nc2c1 | |
What is the building block token for the following molecule? | Fc1cc(F)c2sc(Br)nc2c1 | <BB_9568> |
What is the molecular formula for <BB_9568>? | The molecular formula for <BB_9568> (Fc1cc(F)c2sc(Br)nc2c1) is C7H2BrF2NS. | |
Describe the ring structures in building block <BB_9568>. | 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_9568>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9568>. | **Token:** <BB_9568>
**SMILES:** Fc1cc(F)c2sc(Br)nc2c1
**Molecular Formula:** C7H2BrF2NS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9569>. | Cc1cc(C(C)C)nc(N2CCNCC2)n1 | |
What is the building block token for the following molecule? | Cc1cc(C(C)C)nc(N2CCNCC2)n1 | <BB_9569> |
What is the molecular formula for <BB_9569>? | The molecular formula for <BB_9569> (Cc1cc(C(C)C)nc(N2CCNCC2)n1) is C12H20N4. | |
Describe the ring structures in building block <BB_9569>. | 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_9569>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9569>. | **Token:** <BB_9569>
**SMILES:** Cc1cc(C(C)C)nc(N2CCNCC2)n1
**Molecular Formula:** C12H20N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_9570>. | CC1(C)CCC(O)(CN)C1.Cl | |
What is the building block token for the following molecule? | CC1(C)CCC(O)(CN)C1.Cl | <BB_9570> |
What is the molecular formula for <BB_9570>? | The molecular formula for <BB_9570> (CC1(C)CCC(O)(CN)C1.Cl) is C8H18ClNO. | |
Describe the ring structures in building block <BB_9570>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9570>. | The molecule contains the following groups: Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9570>. | **Token:** <BB_9570>
**SMILES:** CC1(C)CCC(O)(CN)C1.Cl
**Molecular Formula:** C8H18ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9571>. | CC(C)(C)OC(=O)N1CCCc2cc(CN)ccc21 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCCc2cc(CN)ccc21 | <BB_9571> |
What is the molecular formula for <BB_9571>? | The molecular formula for <BB_9571> (CC(C)(C)OC(=O)N1CCCc2cc(CN)ccc21) is C15H22N2O2. | |
Describe the ring structures in building block <BB_9571>. | 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_9571>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9571>. | **Token:** <BB_9571>
**SMILES:** CC(C)(C)OC(=O)N1CCCc2cc(CN)ccc21
**Molecular Formula:** C15H22N2O2
**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_9572>. | CC(C)(C)NS(=O)(=O)c1ccc(N)cc1 | |
What is the building block token for the following molecule? | CC(C)(C)NS(=O)(=O)c1ccc(N)cc1 | <BB_9572> |
What is the molecular formula for <BB_9572>? | The molecular formula for <BB_9572> (CC(C)(C)NS(=O)(=O)c1ccc(N)cc1) is C10H16N2O2S. | |
Describe the ring structures in building block <BB_9572>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9572>. | The molecule contains the following groups: Amine, Secondary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9572>. | **Token:** <BB_9572>
**SMILES:** CC(C)(C)NS(=O)(=O)c1ccc(N)cc1
**Molecular Formula:** C10H16N2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9573>. | Br.Clc1ccnc(CCBr)c1 | |
What is the building block token for the following molecule? | Br.Clc1ccnc(CCBr)c1 | <BB_9573> |
What is the molecular formula for <BB_9573>? | The molecular formula for <BB_9573> (Br.Clc1ccnc(CCBr)c1) is C7H8Br2ClN. | |
Describe the ring structures in building block <BB_9573>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9573>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9573>. | **Token:** <BB_9573>
**SMILES:** Br.Clc1ccnc(CCBr)c1
**Molecular Formula:** C7H8Br2ClN
**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_9574>. | COC(=O)c1oc(Br)cc1C | |
What is the building block token for the following molecule? | COC(=O)c1oc(Br)cc1C | <BB_9574> |
What is the molecular formula for <BB_9574>? | The molecular formula for <BB_9574> (COC(=O)c1oc(Br)cc1C) is C7H7BrO3. | |
Describe the ring structures in building block <BB_9574>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9574>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9574>. | **Token:** <BB_9574>
**SMILES:** COC(=O)c1oc(Br)cc1C
**Molecular Formula:** C7H7BrO3
**Ring System:** The molecule contains 1 ring(s): 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_9575>. | COC(=O)c1cccc(S(N)(=O)=O)c1 | |
What is the building block token for the following molecule? | COC(=O)c1cccc(S(N)(=O)=O)c1 | <BB_9575> |
What is the molecular formula for <BB_9575>? | The molecular formula for <BB_9575> (COC(=O)c1cccc(S(N)(=O)=O)c1) is C8H9NO4S. | |
Describe the ring structures in building block <BB_9575>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9575>. | The molecule contains the following groups: Amine, Ester, Ether, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9575>. | **Token:** <BB_9575>
**SMILES:** COC(=O)c1cccc(S(N)(=O)=O)c1
**Molecular Formula:** C8H9NO4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9576>. | CC1(C)C2CCC1(CBr)CC2 | |
What is the building block token for the following molecule? | CC1(C)C2CCC1(CBr)CC2 | <BB_9576> |
What is the molecular formula for <BB_9576>? | The molecular formula for <BB_9576> (CC1(C)C2CCC1(CBr)CC2) is C10H17Br. | |
Describe the ring structures in building block <BB_9576>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9576>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9576>. | **Token:** <BB_9576>
**SMILES:** CC1(C)C2CCC1(CBr)CC2
**Molecular Formula:** C10H17Br
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9577>. | O=S(=O)(Cl)c1ccc(Cl)c(-c2nnn[nH]2)c1 | |
What is the building block token for the following molecule? | O=S(=O)(Cl)c1ccc(Cl)c(-c2nnn[nH]2)c1 | <BB_9577> |
What is the molecular formula for <BB_9577>? | The molecular formula for <BB_9577> (O=S(=O)(Cl)c1ccc(Cl)c(-c2nnn[nH]2)c1) is C7H4Cl2N4O2S. | |
Describe the ring structures in building block <BB_9577>. | 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_9577>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9577>. | **Token:** <BB_9577>
**SMILES:** O=S(=O)(Cl)c1ccc(Cl)c(-c2nnn[nH]2)c1
**Molecular Formula:** C7H4Cl2N4O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9578>. | CCOC(=O)c1cnc2ccnn2c1N | |
What is the building block token for the following molecule? | CCOC(=O)c1cnc2ccnn2c1N | <BB_9578> |
What is the molecular formula for <BB_9578>? | The molecular formula for <BB_9578> (CCOC(=O)c1cnc2ccnn2c1N) is C9H10N4O2. | |
Describe the ring structures in building block <BB_9578>. | 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_9578>. | The molecule contains the following groups: Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9578>. | **Token:** <BB_9578>
**SMILES:** CCOC(=O)c1cnc2ccnn2c1N
**Molecular Formula:** C9H10N4O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_9579>. | CC(=O)C(=O)CCl | |
What is the building block token for the following molecule? | CC(=O)C(=O)CCl | <BB_9579> |
What is the molecular formula for <BB_9579>? | The molecular formula for <BB_9579> (CC(=O)C(=O)CCl) is C4H5ClO2. | |
Describe the ring structures in building block <BB_9579>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9579>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9579>. | **Token:** <BB_9579>
**SMILES:** CC(=O)C(=O)CCl
**Molecular Formula:** C4H5ClO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9580>. | C[Si](C)(C)C#Cc1cocc1Br | |
What is the building block token for the following molecule? | C[Si](C)(C)C#Cc1cocc1Br | <BB_9580> |
What is the molecular formula for <BB_9580>? | The molecular formula for <BB_9580> (C[Si](C)(C)C#Cc1cocc1Br) is C9H11BrOSi. | |
Describe the ring structures in building block <BB_9580>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9580>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9580>. | **Token:** <BB_9580>
**SMILES:** C[Si](C)(C)C#Cc1cocc1Br
**Molecular Formula:** C9H11BrOSi
**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_9581>. | CCC(OC1CCCC(C)C1)C(=O)O | |
What is the building block token for the following molecule? | CCC(OC1CCCC(C)C1)C(=O)O | <BB_9581> |
What is the molecular formula for <BB_9581>? | The molecular formula for <BB_9581> (CCC(OC1CCCC(C)C1)C(=O)O) is C11H20O3. | |
Describe the ring structures in building block <BB_9581>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9581>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9581>. | **Token:** <BB_9581>
**SMILES:** CCC(OC1CCCC(C)C1)C(=O)O
**Molecular Formula:** C11H20O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_9582>. | CCOC(=O)CC(=O)c1ccccc1OC | |
What is the building block token for the following molecule? | CCOC(=O)CC(=O)c1ccccc1OC | <BB_9582> |
What is the molecular formula for <BB_9582>? | The molecular formula for <BB_9582> (CCOC(=O)CC(=O)c1ccccc1OC) is C12H14O4. | |
Describe the ring structures in building block <BB_9582>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9582>. | The molecule contains the following groups: Ester, Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9582>. | **Token:** <BB_9582>
**SMILES:** CCOC(=O)CC(=O)c1ccccc1OC
**Molecular Formula:** C12H14O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_9583>. | Clc1ncc2ccsc2n1 | |
What is the building block token for the following molecule? | Clc1ncc2ccsc2n1 | <BB_9583> |
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