instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_2783>? | The molecular formula for <BB_2783> (O=C(Nc1cccc(Cl)c1)c1ccc(Cl)nc1) is C12H8Cl2N2O. | |
Describe the ring structures in building block <BB_2783>. | 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_2783>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2783>. | **Token:** <BB_2783>
**SMILES:** O=C(Nc1cccc(Cl)c1)c1ccc(Cl)nc1
**Molecular Formula:** C12H8Cl2N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2784>. | OC1CN(c2ccc(C(F)(F)F)cn2)C1 | |
What is the building block token for the following molecule? | OC1CN(c2ccc(C(F)(F)F)cn2)C1 | <BB_2784> |
What is the molecular formula for <BB_2784>? | The molecular formula for <BB_2784> (OC1CN(c2ccc(C(F)(F)F)cn2)C1) is C9H9F3N2O. | |
Describe the ring structures in building block <BB_2784>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2784>. | The molecule contains the following groups: Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2784>. | **Token:** <BB_2784>
**SMILES:** OC1CN(c2ccc(C(F)(F)F)cn2)C1
**Molecular Formula:** C9H9F3N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2785>. | Cc1nn(-c2ccccc2)c(N)c1N.O=S(=O)(O)O | |
What is the building block token for the following molecule? | Cc1nn(-c2ccccc2)c(N)c1N.O=S(=O)(O)O | <BB_2785> |
What is the molecular formula for <BB_2785>? | The molecular formula for <BB_2785> (Cc1nn(-c2ccccc2)c(N)c1N.O=S(=O)(O)O) is C10H14N4O4S. | |
Describe the ring structures in building block <BB_2785>. | 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_2785>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2785>. | **Token:** <BB_2785>
**SMILES:** Cc1nn(-c2ccccc2)c(N)c1N.O=S(=O)(O)O
**Molecular Formula:** C10H14N4O4S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_2786>. | C=CCC[C@@H](O)CC | |
What is the building block token for the following molecule? | C=CCC[C@@H](O)CC | <BB_2786> |
What is the molecular formula for <BB_2786>? | The molecular formula for <BB_2786> (C=CCC[C@@H](O)CC) is C7H14O. | |
Describe the ring structures in building block <BB_2786>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2786>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2786>. | **Token:** <BB_2786>
**SMILES:** C=CCC[C@@H](O)CC
**Molecular Formula:** C7H14O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_2787>. | O=NN1CCCc2ccc(-c3ccccc3)cc21 | |
What is the building block token for the following molecule? | O=NN1CCCc2ccc(-c3ccccc3)cc21 | <BB_2787> |
What is the molecular formula for <BB_2787>? | The molecular formula for <BB_2787> (O=NN1CCCc2ccc(-c3ccccc3)cc21) is C15H14N2O. | |
Describe the ring structures in building block <BB_2787>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2787>. | The molecule contains the following groups: Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2787>. | **Token:** <BB_2787>
**SMILES:** O=NN1CCCc2ccc(-c3ccccc3)cc21
**Molecular Formula:** C15H14N2O
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_2788>. | CC1N(C)CCOC12CNC2 | |
What is the building block token for the following molecule? | CC1N(C)CCOC12CNC2 | <BB_2788> |
What is the molecular formula for <BB_2788>? | The molecular formula for <BB_2788> (CC1N(C)CCOC12CNC2) is C8H16N2O. | |
Describe the ring structures in building block <BB_2788>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2788>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2788>. | **Token:** <BB_2788>
**SMILES:** CC1N(C)CCOC12CNC2
**Molecular Formula:** C8H16N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2789>. | NC1(Cc2cccc(F)c2)CCOCC1 | |
What is the building block token for the following molecule? | NC1(Cc2cccc(F)c2)CCOCC1 | <BB_2789> |
What is the molecular formula for <BB_2789>? | The molecular formula for <BB_2789> (NC1(Cc2cccc(F)c2)CCOCC1) is C12H16FNO. | |
Describe the ring structures in building block <BB_2789>. | 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_2789>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2789>. | **Token:** <BB_2789>
**SMILES:** NC1(Cc2cccc(F)c2)CCOCC1
**Molecular Formula:** C12H16FNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2790>. | Nc1cc(C2OCCO2)ccc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | Nc1cc(C2OCCO2)ccc1[N+](=O)[O-] | <BB_2790> |
What is the molecular formula for <BB_2790>? | The molecular formula for <BB_2790> (Nc1cc(C2OCCO2)ccc1[N+](=O)[O-]) is C9H10N2O4. | |
Describe the ring structures in building block <BB_2790>. | 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_2790>. | The molecule contains the following groups: Amine, Tertiary Amine, Ether, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_2790>. | **Token:** <BB_2790>
**SMILES:** Nc1cc(C2OCCO2)ccc1[N+](=O)[O-]
**Molecular Formula:** C9H10N2O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Tertiary Amine, Ether, Nitro | |
Provide the SMILES representation for the building block token <BB_2791>. | CC(C)(C)OC(=O)N1CCCC(OCCN)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCCC(OCCN)C1 | <BB_2791> |
What is the molecular formula for <BB_2791>? | The molecular formula for <BB_2791> (CC(C)(C)OC(=O)N1CCCC(OCCN)C1) is C12H24N2O3. | |
Describe the ring structures in building block <BB_2791>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2791>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2791>. | **Token:** <BB_2791>
**SMILES:** CC(C)(C)OC(=O)N1CCCC(OCCN)C1
**Molecular Formula:** C12H24N2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2792>. | Cc1nc2ccc(Br)cc2cc1C(=O)O | |
What is the building block token for the following molecule? | Cc1nc2ccc(Br)cc2cc1C(=O)O | <BB_2792> |
What is the molecular formula for <BB_2792>? | The molecular formula for <BB_2792> (Cc1nc2ccc(Br)cc2cc1C(=O)O) is C11H8BrNO2. | |
Describe the ring structures in building block <BB_2792>. | 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_2792>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2792>. | **Token:** <BB_2792>
**SMILES:** Cc1nc2ccc(Br)cc2cc1C(=O)O
**Molecular Formula:** C11H8BrNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, 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_2793>. | Cl.N[C@H]1CCCC[C@H]1n1cc(C(=O)O)nn1 | |
What is the building block token for the following molecule? | Cl.N[C@H]1CCCC[C@H]1n1cc(C(=O)O)nn1 | <BB_2793> |
What is the molecular formula for <BB_2793>? | The molecular formula for <BB_2793> (Cl.N[C@H]1CCCC[C@H]1n1cc(C(=O)O)nn1) is C9H15ClN4O2. | |
Describe the ring structures in building block <BB_2793>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2793>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2793>. | **Token:** <BB_2793>
**SMILES:** Cl.N[C@H]1CCCC[C@H]1n1cc(C(=O)O)nn1
**Molecular Formula:** C9H15ClN4O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2794>. | Nc1cnc2c(Cl)cccn12 | |
What is the building block token for the following molecule? | Nc1cnc2c(Cl)cccn12 | <BB_2794> |
What is the molecular formula for <BB_2794>? | The molecular formula for <BB_2794> (Nc1cnc2c(Cl)cccn12) is C7H6ClN3. | |
Describe the ring structures in building block <BB_2794>. | 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_2794>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2794>. | **Token:** <BB_2794>
**SMILES:** Nc1cnc2c(Cl)cccn12
**Molecular Formula:** C7H6ClN3
**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_2795>. | CC(C)(C)OC1CC(=O)C1n1cccn1 | |
What is the building block token for the following molecule? | CC(C)(C)OC1CC(=O)C1n1cccn1 | <BB_2795> |
What is the molecular formula for <BB_2795>? | The molecular formula for <BB_2795> (CC(C)(C)OC1CC(=O)C1n1cccn1) is C11H16N2O2. | |
Describe the ring structures in building block <BB_2795>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2795>. | The molecule contains the following groups: Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2795>. | **Token:** <BB_2795>
**SMILES:** CC(C)(C)OC1CC(=O)C1n1cccn1
**Molecular Formula:** C11H16N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 5.
**Functional Groups:** Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_2796>. | CC(C)(C)OC(=O)NC1CCC(S(C)(=N)=O)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC1CCC(S(C)(=N)=O)C1 | <BB_2796> |
What is the molecular formula for <BB_2796>? | The molecular formula for <BB_2796> (CC(C)(C)OC(=O)NC1CCC(S(C)(=N)=O)C1) is C11H22N2O3S. | |
Describe the ring structures in building block <BB_2796>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2796>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2796>. | **Token:** <BB_2796>
**SMILES:** CC(C)(C)OC(=O)NC1CCC(S(C)(=N)=O)C1
**Molecular Formula:** C11H22N2O3S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2797>. | O=C(O)C1CCN(C(=O)c2cccs2)CC1 | |
What is the building block token for the following molecule? | O=C(O)C1CCN(C(=O)c2cccs2)CC1 | <BB_2797> |
What is the molecular formula for <BB_2797>? | The molecular formula for <BB_2797> (O=C(O)C1CCN(C(=O)c2cccs2)CC1) is C11H13NO3S. | |
Describe the ring structures in building block <BB_2797>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2797>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2797>. | **Token:** <BB_2797>
**SMILES:** O=C(O)C1CCN(C(=O)c2cccs2)CC1
**Molecular Formula:** C11H13NO3S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_2798>. | CC(=O)C1(C)CCCC1 | |
What is the building block token for the following molecule? | CC(=O)C1(C)CCCC1 | <BB_2798> |
What is the molecular formula for <BB_2798>? | The molecular formula for <BB_2798> (CC(=O)C1(C)CCCC1) is C8H14O. | |
Describe the ring structures in building block <BB_2798>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2798>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_2798>. | **Token:** <BB_2798>
**SMILES:** CC(=O)C1(C)CCCC1
**Molecular Formula:** C8H14O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_2799>. | CCOC(=O)c1[nH]c(C)c(C(=O)OCCOC)c1C | |
What is the building block token for the following molecule? | CCOC(=O)c1[nH]c(C)c(C(=O)OCCOC)c1C | <BB_2799> |
What is the molecular formula for <BB_2799>? | The molecular formula for <BB_2799> (CCOC(=O)c1[nH]c(C)c(C(=O)OCCOC)c1C) is C13H19NO5. | |
Describe the ring structures in building block <BB_2799>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2799>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2799>. | **Token:** <BB_2799>
**SMILES:** CCOC(=O)c1[nH]c(C)c(C(=O)OCCOC)c1C
**Molecular Formula:** C13H19NO5
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ether |
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