instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_2200>. | Cc1nccn1CCN1C(=O)c2ccccc2C1=O | |
What is the building block token for the following molecule? | Cc1nccn1CCN1C(=O)c2ccccc2C1=O | <BB_2200> |
What is the molecular formula for <BB_2200>? | The molecular formula for <BB_2200> (Cc1nccn1CCN1C(=O)c2ccccc2C1=O) is C14H13N3O2. | |
Describe the ring structures in building block <BB_2200>. | 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_2200>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2200>. | **Token:** <BB_2200>
**SMILES:** Cc1nccn1CCN1C(=O)c2ccccc2C1=O
**Molecular Formula:** C14H13N3O2
**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:** Amide | |
Provide the SMILES representation for the building block token <BB_2201>. | CC(C)(C)OC(=O)N1CC1CO | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC1CO | <BB_2201> |
What is the molecular formula for <BB_2201>? | The molecular formula for <BB_2201> (CC(C)(C)OC(=O)N1CC1CO) is C8H15NO3. | |
Describe the ring structures in building block <BB_2201>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2201>. | The molecule contains the following groups: Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2201>. | **Token:** <BB_2201>
**SMILES:** CC(C)(C)OC(=O)N1CC1CO
**Molecular Formula:** C8H15NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2202>. | CC[C@]12C[C@H]1C(=O)OC2=O | |
What is the building block token for the following molecule? | CC[C@]12C[C@H]1C(=O)OC2=O | <BB_2202> |
What is the molecular formula for <BB_2202>? | The molecular formula for <BB_2202> (CC[C@]12C[C@H]1C(=O)OC2=O) is C7H8O3. | |
Describe the ring structures in building block <BB_2202>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2202>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2202>. | **Token:** <BB_2202>
**SMILES:** CC[C@]12C[C@H]1C(=O)OC2=O
**Molecular Formula:** C7H8O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 5.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2203>. | Cc1[nH]c(=O)c(C)nc1Br | |
What is the building block token for the following molecule? | Cc1[nH]c(=O)c(C)nc1Br | <BB_2203> |
What is the molecular formula for <BB_2203>? | The molecular formula for <BB_2203> (Cc1[nH]c(=O)c(C)nc1Br) is C6H7BrN2O. | |
Describe the ring structures in building block <BB_2203>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2203>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2203>. | **Token:** <BB_2203>
**SMILES:** Cc1[nH]c(=O)c(C)nc1Br
**Molecular Formula:** C6H7BrN2O
**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_2204>. | COCCOc1cccc(C#CCCl)c1 | |
What is the building block token for the following molecule? | COCCOc1cccc(C#CCCl)c1 | <BB_2204> |
What is the molecular formula for <BB_2204>? | The molecular formula for <BB_2204> (COCCOc1cccc(C#CCCl)c1) is C12H13ClO2. | |
Describe the ring structures in building block <BB_2204>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2204>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2204>. | **Token:** <BB_2204>
**SMILES:** COCCOc1cccc(C#CCCl)c1
**Molecular Formula:** C12H13ClO2
**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_2205>. | Cl.O=C(Nc1cccc(F)c1)C1CCNCC1 | |
What is the building block token for the following molecule? | Cl.O=C(Nc1cccc(F)c1)C1CCNCC1 | <BB_2205> |
What is the molecular formula for <BB_2205>? | The molecular formula for <BB_2205> (Cl.O=C(Nc1cccc(F)c1)C1CCNCC1) is C12H16ClFN2O. | |
Describe the ring structures in building block <BB_2205>. | 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_2205>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2205>. | **Token:** <BB_2205>
**SMILES:** Cl.O=C(Nc1cccc(F)c1)C1CCNCC1
**Molecular Formula:** C12H16ClFN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, 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_2206>. | CCNC(=O)c1ccccc1O | |
What is the building block token for the following molecule? | CCNC(=O)c1ccccc1O | <BB_2206> |
What is the molecular formula for <BB_2206>? | The molecular formula for <BB_2206> (CCNC(=O)c1ccccc1O) is C9H11NO2. | |
Describe the ring structures in building block <BB_2206>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2206>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2206>. | **Token:** <BB_2206>
**SMILES:** CCNC(=O)c1ccccc1O
**Molecular Formula:** C9H11NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_2207>. | NS(=O)(=O)C1CCCCC1 | |
What is the building block token for the following molecule? | NS(=O)(=O)C1CCCCC1 | <BB_2207> |
What is the molecular formula for <BB_2207>? | The molecular formula for <BB_2207> (NS(=O)(=O)C1CCCCC1) is C6H13NO2S. | |
Describe the ring structures in building block <BB_2207>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2207>. | The molecule contains the following groups: Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2207>. | **Token:** <BB_2207>
**SMILES:** NS(=O)(=O)C1CCCCC1
**Molecular Formula:** C6H13NO2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2208>. | O=C(O)CNc1nc(Cl)nc2ccccc12 | |
What is the building block token for the following molecule? | O=C(O)CNc1nc(Cl)nc2ccccc12 | <BB_2208> |
What is the molecular formula for <BB_2208>? | The molecular formula for <BB_2208> (O=C(O)CNc1nc(Cl)nc2ccccc12) is C10H8ClN3O2. | |
Describe the ring structures in building block <BB_2208>. | 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_2208>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2208>. | **Token:** <BB_2208>
**SMILES:** O=C(O)CNc1nc(Cl)nc2ccccc12
**Molecular Formula:** C10H8ClN3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2209>. | Ic1cn2ccccc2n1 | |
What is the building block token for the following molecule? | Ic1cn2ccccc2n1 | <BB_2209> |
What is the molecular formula for <BB_2209>? | The molecular formula for <BB_2209> (Ic1cn2ccccc2n1) is C7H5IN2. | |
Describe the ring structures in building block <BB_2209>. | 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_2209>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2209>. | **Token:** <BB_2209>
**SMILES:** Ic1cn2ccccc2n1
**Molecular Formula:** C7H5IN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2210>. | COC(=O)/C=C1/CCN(C(=O)OC(C)(C)C)CCN1 | |
What is the building block token for the following molecule? | COC(=O)/C=C1/CCN(C(=O)OC(C)(C)C)CCN1 | <BB_2210> |
What is the molecular formula for <BB_2210>? | The molecular formula for <BB_2210> (COC(=O)/C=C1/CCN(C(=O)OC(C)(C)C)CCN1) is C13H22N2O4. | |
Describe the ring structures in building block <BB_2210>. | The molecule contains 1 ring(s): an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_2210>. | The molecule contains the following groups: Secondary Amine, Amide, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2210>. | **Token:** <BB_2210>
**SMILES:** COC(=O)/C=C1/CCN(C(=O)OC(C)(C)C)CCN1
**Molecular Formula:** C13H22N2O4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Secondary Amine, Amide, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2211>. | CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)O)CCC1(F)F | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)O)CCC1(F)F | <BB_2211> |
What is the molecular formula for <BB_2211>? | The molecular formula for <BB_2211> (CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)O)CCC1(F)F) is C12H19F2NO4. | |
Describe the ring structures in building block <BB_2211>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2211>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2211>. | **Token:** <BB_2211>
**SMILES:** CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)O)CCC1(F)F
**Molecular Formula:** C12H19F2NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2212>. | OCC1(F)COCCC1(F)F | |
What is the building block token for the following molecule? | OCC1(F)COCCC1(F)F | <BB_2212> |
What is the molecular formula for <BB_2212>? | The molecular formula for <BB_2212> (OCC1(F)COCCC1(F)F) is C6H9F3O2. | |
Describe the ring structures in building block <BB_2212>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2212>. | The molecule contains the following groups: Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2212>. | **Token:** <BB_2212>
**SMILES:** OCC1(F)COCCC1(F)F
**Molecular Formula:** C6H9F3O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2213>. | CCNCC1CCOC1 | |
What is the building block token for the following molecule? | CCNCC1CCOC1 | <BB_2213> |
What is the molecular formula for <BB_2213>? | The molecular formula for <BB_2213> (CCNCC1CCOC1) is C7H15NO. | |
Describe the ring structures in building block <BB_2213>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2213>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2213>. | **Token:** <BB_2213>
**SMILES:** CCNCC1CCOC1
**Molecular Formula:** C7H15NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2214>. | Clc1ccnc2[nH]nc(I)c12 | |
What is the building block token for the following molecule? | Clc1ccnc2[nH]nc(I)c12 | <BB_2214> |
What is the molecular formula for <BB_2214>? | The molecular formula for <BB_2214> (Clc1ccnc2[nH]nc(I)c12) is C6H3ClIN3. | |
Describe the ring structures in building block <BB_2214>. | 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_2214>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2214>. | **Token:** <BB_2214>
**SMILES:** Clc1ccnc2[nH]nc(I)c12
**Molecular Formula:** C6H3ClIN3
**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_2215>. | CCC(N)COCC1CC1 | |
What is the building block token for the following molecule? | CCC(N)COCC1CC1 | <BB_2215> |
What is the molecular formula for <BB_2215>? | The molecular formula for <BB_2215> (CCC(N)COCC1CC1) is C8H17NO. | |
Describe the ring structures in building block <BB_2215>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2215>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2215>. | **Token:** <BB_2215>
**SMILES:** CCC(N)COCC1CC1
**Molecular Formula:** C8H17NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2216>. | CC1(C)CC(N)CC(C)(C)O1 | |
What is the building block token for the following molecule? | CC1(C)CC(N)CC(C)(C)O1 | <BB_2216> |
What is the molecular formula for <BB_2216>? | The molecular formula for <BB_2216> (CC1(C)CC(N)CC(C)(C)O1) is C9H19NO. | |
Describe the ring structures in building block <BB_2216>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. |
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