instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_1150>. | [N-]=[N+]=Nc1ccc(OC(F)(F)Cl)cc1 | |
What is the building block token for the following molecule? | [N-]=[N+]=Nc1ccc(OC(F)(F)Cl)cc1 | <BB_1150> |
What is the molecular formula for <BB_1150>? | The molecular formula for <BB_1150> ([N-]=[N+]=Nc1ccc(OC(F)(F)Cl)cc1) is C7H4ClF2N3O. | |
Describe the ring structures in building block <BB_1150>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1150>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1150>. | **Token:** <BB_1150>
**SMILES:** [N-]=[N+]=Nc1ccc(OC(F)(F)Cl)cc1
**Molecular Formula:** C7H4ClF2N3O
**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_1151>. | CSSC(C)(C)C(=O)O | |
What is the building block token for the following molecule? | CSSC(C)(C)C(=O)O | <BB_1151> |
What is the molecular formula for <BB_1151>? | The molecular formula for <BB_1151> (CSSC(C)(C)C(=O)O) is C5H10O2S2. | |
Describe the ring structures in building block <BB_1151>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1151>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1151>. | **Token:** <BB_1151>
**SMILES:** CSSC(C)(C)C(=O)O
**Molecular Formula:** C5H10O2S2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1152>. | O=c1[nH]c(CCl)nc2cccc(F)c12 | |
What is the building block token for the following molecule? | O=c1[nH]c(CCl)nc2cccc(F)c12 | <BB_1152> |
What is the molecular formula for <BB_1152>? | The molecular formula for <BB_1152> (O=c1[nH]c(CCl)nc2cccc(F)c12) is C9H6ClFN2O. | |
Describe the ring structures in building block <BB_1152>. | 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_1152>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1152>. | **Token:** <BB_1152>
**SMILES:** O=c1[nH]c(CCl)nc2cccc(F)c12
**Molecular Formula:** C9H6ClFN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1153>. | CC(O)c1cc([N+](=O)[O-])ccc1Cl | |
What is the building block token for the following molecule? | CC(O)c1cc([N+](=O)[O-])ccc1Cl | <BB_1153> |
What is the molecular formula for <BB_1153>? | The molecular formula for <BB_1153> (CC(O)c1cc([N+](=O)[O-])ccc1Cl) is C8H8ClNO3. | |
Describe the ring structures in building block <BB_1153>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1153>. | The molecule contains the following groups: Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1153>. | **Token:** <BB_1153>
**SMILES:** CC(O)c1cc([N+](=O)[O-])ccc1Cl
**Molecular Formula:** C8H8ClNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_1154>. | CC(C)P(=O)(CC(=O)O)C(C)C | |
What is the building block token for the following molecule? | CC(C)P(=O)(CC(=O)O)C(C)C | <BB_1154> |
What is the molecular formula for <BB_1154>? | The molecular formula for <BB_1154> (CC(C)P(=O)(CC(=O)O)C(C)C) is C8H17O3P. | |
Describe the ring structures in building block <BB_1154>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1154>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1154>. | **Token:** <BB_1154>
**SMILES:** CC(C)P(=O)(CC(=O)O)C(C)C
**Molecular Formula:** C8H17O3P
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1155>. | COC(=O)C1(Br)CCC1 | |
What is the building block token for the following molecule? | COC(=O)C1(Br)CCC1 | <BB_1155> |
What is the molecular formula for <BB_1155>? | The molecular formula for <BB_1155> (COC(=O)C1(Br)CCC1) is C6H9BrO2. | |
Describe the ring structures in building block <BB_1155>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1155>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1155>. | **Token:** <BB_1155>
**SMILES:** COC(=O)C1(Br)CCC1
**Molecular Formula:** C6H9BrO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1156>. | CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CN(S(=O)(=O)Cl)C2 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CN(S(=O)(=O)Cl)C2 | <BB_1156> |
What is the molecular formula for <BB_1156>? | The molecular formula for <BB_1156> (CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CN(S(=O)(=O)Cl)C2) is C11H19ClN2O4S. | |
Describe the ring structures in building block <BB_1156>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1156>. | The molecule contains the following groups: Tertiary Amine, Amide, Ether, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1156>. | **Token:** <BB_1156>
**SMILES:** CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CN(S(=O)(=O)Cl)C2
**Molecular Formula:** C11H19ClN2O4S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide, Ether, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1157>. | Cn1nccc1C1CNCCO1 | |
What is the building block token for the following molecule? | Cn1nccc1C1CNCCO1 | <BB_1157> |
What is the molecular formula for <BB_1157>? | The molecular formula for <BB_1157> (Cn1nccc1C1CNCCO1) is C8H13N3O. | |
Describe the ring structures in building block <BB_1157>. | 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_1157>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1157>. | **Token:** <BB_1157>
**SMILES:** Cn1nccc1C1CNCCO1
**Molecular Formula:** C8H13N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1158>. | COC(=O)CC1CCC1N.Cl | |
What is the building block token for the following molecule? | COC(=O)CC1CCC1N.Cl | <BB_1158> |
What is the molecular formula for <BB_1158>? | The molecular formula for <BB_1158> (COC(=O)CC1CCC1N.Cl) is C7H14ClNO2. | |
Describe the ring structures in building block <BB_1158>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1158>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1158>. | **Token:** <BB_1158>
**SMILES:** COC(=O)CC1CCC1N.Cl
**Molecular Formula:** C7H14ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1159>. | COC(=O)c1cc(Cl)c(N)cc1F | |
What is the building block token for the following molecule? | COC(=O)c1cc(Cl)c(N)cc1F | <BB_1159> |
What is the molecular formula for <BB_1159>? | The molecular formula for <BB_1159> (COC(=O)c1cc(Cl)c(N)cc1F) is C8H7ClFNO2. | |
Describe the ring structures in building block <BB_1159>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1159>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1159>. | **Token:** <BB_1159>
**SMILES:** COC(=O)c1cc(Cl)c(N)cc1F
**Molecular Formula:** C8H7ClFNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1160>. | C1CC23CNCC12COC3.Cl | |
What is the building block token for the following molecule? | C1CC23CNCC12COC3.Cl | <BB_1160> |
What is the molecular formula for <BB_1160>? | The molecular formula for <BB_1160> (C1CC23CNCC12COC3.Cl) is C8H14ClNO. | |
Describe the ring structures in building block <BB_1160>. | The molecule contains 3 ring(s): 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_1160>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1160>. | **Token:** <BB_1160>
**SMILES:** C1CC23CNCC12COC3.Cl
**Molecular Formula:** C8H14ClNO
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1161>. | Cl.O=C(O)Cc1ccn[nH]1 | |
What is the building block token for the following molecule? | Cl.O=C(O)Cc1ccn[nH]1 | <BB_1161> |
What is the molecular formula for <BB_1161>? | The molecular formula for <BB_1161> (Cl.O=C(O)Cc1ccn[nH]1) is C5H7ClN2O2. | |
Describe the ring structures in building block <BB_1161>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1161>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1161>. | **Token:** <BB_1161>
**SMILES:** Cl.O=C(O)Cc1ccn[nH]1
**Molecular Formula:** C5H7ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1162>. | Fc1c(CBr)ccnc1C(F)(F)F | |
What is the building block token for the following molecule? | Fc1c(CBr)ccnc1C(F)(F)F | <BB_1162> |
What is the molecular formula for <BB_1162>? | The molecular formula for <BB_1162> (Fc1c(CBr)ccnc1C(F)(F)F) is C7H4BrF4N. | |
Describe the ring structures in building block <BB_1162>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1162>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1162>. | **Token:** <BB_1162>
**SMILES:** Fc1c(CBr)ccnc1C(F)(F)F
**Molecular Formula:** C7H4BrF4N
**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_1163>. | Cc1cc(NC(=O)C2CCNCC2)no1.Cl | |
What is the building block token for the following molecule? | Cc1cc(NC(=O)C2CCNCC2)no1.Cl | <BB_1163> |
What is the molecular formula for <BB_1163>? | The molecular formula for <BB_1163> (Cc1cc(NC(=O)C2CCNCC2)no1.Cl) is C10H16ClN3O2. | |
Describe the ring structures in building block <BB_1163>. | 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_1163>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1163>. | **Token:** <BB_1163>
**SMILES:** Cc1cc(NC(=O)C2CCNCC2)no1.Cl
**Molecular Formula:** C10H16ClN3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1164>. | O=c1ccn2ncc(Br)c2[nH]1 | |
What is the building block token for the following molecule? | O=c1ccn2ncc(Br)c2[nH]1 | <BB_1164> |
What is the molecular formula for <BB_1164>? | The molecular formula for <BB_1164> (O=c1ccn2ncc(Br)c2[nH]1) is C6H4BrN3O. | |
Describe the ring structures in building block <BB_1164>. | 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_1164>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1164>. | **Token:** <BB_1164>
**SMILES:** O=c1ccn2ncc(Br)c2[nH]1
**Molecular Formula:** C6H4BrN3O
**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_1165>. | Nc1cc2n(n1)CCN(Cc1ccccc1)C2 | |
What is the building block token for the following molecule? | Nc1cc2n(n1)CCN(Cc1ccccc1)C2 | <BB_1165> |
What is the molecular formula for <BB_1165>? | The molecular formula for <BB_1165> (Nc1cc2n(n1)CCN(Cc1ccccc1)C2) is C13H16N4. | |
Describe the ring structures in building block <BB_1165>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1165>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1165>. | **Token:** <BB_1165>
**SMILES:** Nc1cc2n(n1)CCN(Cc1ccccc1)C2
**Molecular Formula:** C13H16N4
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_1166>. | CC(=O)N1C[C@H]2CNC[C@H]2C1.Cl.Cl | |
What is the building block token for the following molecule? | CC(=O)N1C[C@H]2CNC[C@H]2C1.Cl.Cl | <BB_1166> |
What is the molecular formula for <BB_1166>? | The molecular formula for <BB_1166> (CC(=O)N1C[C@H]2CNC[C@H]2C1.Cl.Cl) is C8H16Cl2N2O. | |
Describe the ring structures in building block <BB_1166>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5. |
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