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List the primary functional groups present in <BB_166>.
|
The molecule contains the following groups: Amine, Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro.
|
|
Provide a comprehensive chemical profile for the building block <BB_166>.
|
**Token:** <BB_166>
**SMILES:** Cl.Cl.NCCNc1ncnc2ccc([N+](=O)[O-])cc12
**Molecular Formula:** C10H13Cl2N5O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro
|
|
Provide the SMILES representation for the building block token <BB_167>.
|
CC(=O)O.CCC(C)C(N)C(N)=O
|
|
What is the building block token for the following molecule?
|
CC(=O)O.CCC(C)C(N)C(N)=O
|
<BB_167>
|
What is the molecular formula for <BB_167>?
|
The molecular formula for <BB_167> (CC(=O)O.CCC(C)C(N)C(N)=O) is C8H18N2O3.
|
|
Describe the ring structures in building block <BB_167>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_167>.
|
The molecule contains the following groups: Carboxylic Acid, Amine, Amide.
|
|
Provide a comprehensive chemical profile for the building block <BB_167>.
|
**Token:** <BB_167>
**SMILES:** CC(=O)O.CCC(C)C(N)C(N)=O
**Molecular Formula:** C8H18N2O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amine, Amide
|
|
Provide the SMILES representation for the building block token <BB_168>.
|
Nc1cc(C2CCCCCC2)no1
|
|
What is the building block token for the following molecule?
|
Nc1cc(C2CCCCCC2)no1
|
<BB_168>
|
What is the molecular formula for <BB_168>?
|
The molecular formula for <BB_168> (Nc1cc(C2CCCCCC2)no1) is C10H16N2O.
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|
Describe the ring structures in building block <BB_168>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 7.
|
|
List the primary functional groups present in <BB_168>.
|
The molecule contains the following groups: Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_168>.
|
**Token:** <BB_168>
**SMILES:** Nc1cc(C2CCCCCC2)no1
**Molecular Formula:** C10H16N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 7.
**Functional Groups:** Amine
|
|
Provide the SMILES representation for the building block token <BB_169>.
|
Br.CN1CCCCC1CBr
|
|
What is the building block token for the following molecule?
|
Br.CN1CCCCC1CBr
|
<BB_169>
|
What is the molecular formula for <BB_169>?
|
The molecular formula for <BB_169> (Br.CN1CCCCC1CBr) is C7H15Br2N.
|
|
Describe the ring structures in building block <BB_169>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_169>.
|
The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_169>.
|
**Token:** <BB_169>
**SMILES:** Br.CN1CCCCC1CBr
**Molecular Formula:** C7H15Br2N
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_170>.
|
CC(c1ccc(Cl)cc1Cl)S(N)(=O)=O
|
|
What is the building block token for the following molecule?
|
CC(c1ccc(Cl)cc1Cl)S(N)(=O)=O
|
<BB_170>
|
What is the molecular formula for <BB_170>?
|
The molecular formula for <BB_170> (CC(c1ccc(Cl)cc1Cl)S(N)(=O)=O) is C8H9Cl2NO2S.
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|
Describe the ring structures in building block <BB_170>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_170>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Sulfonamide.
|
|
Provide a comprehensive chemical profile for the building block <BB_170>.
|
**Token:** <BB_170>
**SMILES:** CC(c1ccc(Cl)cc1Cl)S(N)(=O)=O
**Molecular Formula:** C8H9Cl2NO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I), Sulfonamide
|
|
Provide the SMILES representation for the building block token <BB_171>.
|
Nc1cc(Cl)c([N+](=O)[O-])cc1N
|
|
What is the building block token for the following molecule?
|
Nc1cc(Cl)c([N+](=O)[O-])cc1N
|
<BB_171>
|
What is the molecular formula for <BB_171>?
|
The molecular formula for <BB_171> (Nc1cc(Cl)c([N+](=O)[O-])cc1N) is C6H6ClN3O2.
|
|
Describe the ring structures in building block <BB_171>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_171>.
|
The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro.
|
|
Provide a comprehensive chemical profile for the building block <BB_171>.
|
**Token:** <BB_171>
**SMILES:** Nc1cc(Cl)c([N+](=O)[O-])cc1N
**Molecular Formula:** C6H6ClN3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro
|
|
Provide the SMILES representation for the building block token <BB_172>.
|
NS(=O)(=O)Cc1ccc(C(F)(F)F)nc1
|
|
What is the building block token for the following molecule?
|
NS(=O)(=O)Cc1ccc(C(F)(F)F)nc1
|
<BB_172>
|
What is the molecular formula for <BB_172>?
|
The molecular formula for <BB_172> (NS(=O)(=O)Cc1ccc(C(F)(F)F)nc1) is C7H7F3N2O2S.
|
|
Describe the ring structures in building block <BB_172>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_172>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Sulfonamide.
|
|
Provide a comprehensive chemical profile for the building block <BB_172>.
|
**Token:** <BB_172>
**SMILES:** NS(=O)(=O)Cc1ccc(C(F)(F)F)nc1
**Molecular Formula:** C7H7F3N2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I), Sulfonamide
|
|
Provide the SMILES representation for the building block token <BB_173>.
|
O=C(O)c1n[nH]c2cc([N+](=O)[O-])ccc12
|
|
What is the building block token for the following molecule?
|
O=C(O)c1n[nH]c2cc([N+](=O)[O-])ccc12
|
<BB_173>
|
What is the molecular formula for <BB_173>?
|
The molecular formula for <BB_173> (O=C(O)c1n[nH]c2cc([N+](=O)[O-])ccc12) is C8H5N3O4.
|
|
Describe the ring structures in building block <BB_173>.
|
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_173>.
|
The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Nitro.
|
|
Provide a comprehensive chemical profile for the building block <BB_173>.
|
**Token:** <BB_173>
**SMILES:** O=C(O)c1n[nH]c2cc([N+](=O)[O-])ccc12
**Molecular Formula:** C8H5N3O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Nitro
|
|
Provide the SMILES representation for the building block token <BB_174>.
|
COc1cc(OC)c2ncc(C(=O)O)c(O)c2c1
|
|
What is the building block token for the following molecule?
|
COc1cc(OC)c2ncc(C(=O)O)c(O)c2c1
|
<BB_174>
|
What is the molecular formula for <BB_174>?
|
The molecular formula for <BB_174> (COc1cc(OC)c2ncc(C(=O)O)c(O)c2c1) is C12H11NO5.
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|
Describe the ring structures in building block <BB_174>.
|
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_174>.
|
The molecule contains the following groups: Carboxylic Acid, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_174>.
|
**Token:** <BB_174>
**SMILES:** COc1cc(OC)c2ncc(C(=O)O)c(O)c2c1
**Molecular Formula:** C12H11NO5
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether
|
|
Provide the SMILES representation for the building block token <BB_175>.
|
Cl.Cn1cc(-c2ccccc2)cc1CCN
|
|
What is the building block token for the following molecule?
|
Cl.Cn1cc(-c2ccccc2)cc1CCN
|
<BB_175>
|
What is the molecular formula for <BB_175>?
|
The molecular formula for <BB_175> (Cl.Cn1cc(-c2ccccc2)cc1CCN) is C13H17ClN2.
|
|
Describe the ring structures in building block <BB_175>.
|
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_175>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_175>.
|
**Token:** <BB_175>
**SMILES:** Cl.Cn1cc(-c2ccccc2)cc1CCN
**Molecular Formula:** C13H17ClN2
**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_176>.
|
Cc1csc(C(=O)O)c1-n1cccc1
|
|
What is the building block token for the following molecule?
|
Cc1csc(C(=O)O)c1-n1cccc1
|
<BB_176>
|
What is the molecular formula for <BB_176>?
|
The molecular formula for <BB_176> (Cc1csc(C(=O)O)c1-n1cccc1) is C10H9NO2S.
|
|
Describe the ring structures in building block <BB_176>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_176>.
|
The molecule contains the following groups: Carboxylic Acid.
|
|
Provide a comprehensive chemical profile for the building block <BB_176>.
|
**Token:** <BB_176>
**SMILES:** Cc1csc(C(=O)O)c1-n1cccc1
**Molecular Formula:** C10H9NO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid
|
|
Provide the SMILES representation for the building block token <BB_177>.
|
Cl.Cl.NC(=O)c1nnc2n1CCNC2
|
|
What is the building block token for the following molecule?
|
Cl.Cl.NC(=O)c1nnc2n1CCNC2
|
<BB_177>
|
What is the molecular formula for <BB_177>?
|
The molecular formula for <BB_177> (Cl.Cl.NC(=O)c1nnc2n1CCNC2) is C6H11Cl2N5O.
|
|
Describe the ring structures in building block <BB_177>.
|
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_177>.
|
The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_177>.
|
**Token:** <BB_177>
**SMILES:** Cl.Cl.NC(=O)c1nnc2n1CCNC2
**Molecular Formula:** C6H11Cl2N5O
**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_178>.
|
CN(C)CCN(C)N=O
|
|
What is the building block token for the following molecule?
|
CN(C)CCN(C)N=O
|
<BB_178>
|
What is the molecular formula for <BB_178>?
|
The molecular formula for <BB_178> (CN(C)CCN(C)N=O) is C5H13N3O.
|
|
Describe the ring structures in building block <BB_178>.
|
The molecule is acyclic (contains no rings).
|
|
List the primary functional groups present in <BB_178>.
|
The molecule contains the following groups: Tertiary Amine.
|
|
Provide a comprehensive chemical profile for the building block <BB_178>.
|
**Token:** <BB_178>
**SMILES:** CN(C)CCN(C)N=O
**Molecular Formula:** C5H13N3O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Tertiary Amine
|
|
Provide the SMILES representation for the building block token <BB_179>.
|
Cc1cc(F)c(C(=O)O)nc1Cl
|
|
What is the building block token for the following molecule?
|
Cc1cc(F)c(C(=O)O)nc1Cl
|
<BB_179>
|
What is the molecular formula for <BB_179>?
|
The molecular formula for <BB_179> (Cc1cc(F)c(C(=O)O)nc1Cl) is C7H5ClFNO2.
|
|
Describe the ring structures in building block <BB_179>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_179>.
|
The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_179>.
|
**Token:** <BB_179>
**SMILES:** Cc1cc(F)c(C(=O)O)nc1Cl
**Molecular Formula:** C7H5ClFNO2
**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_180>.
|
NNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1
|
|
What is the building block token for the following molecule?
|
NNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1
|
<BB_180>
|
What is the molecular formula for <BB_180>?
|
The molecular formula for <BB_180> (NNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1) is C9H9N5O4.
|
|
Describe the ring structures in building block <BB_180>.
|
The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
|
|
List the primary functional groups present in <BB_180>.
|
The molecule contains the following groups: Amine, Tertiary Amine, Amide, Nitro.
|
|
Provide a comprehensive chemical profile for the building block <BB_180>.
|
**Token:** <BB_180>
**SMILES:** NNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1
**Molecular Formula:** C9H9N5O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Amine, Tertiary Amine, Amide, Nitro
|
|
Provide the SMILES representation for the building block token <BB_181>.
|
CNC(=O)CN(C)C1CCCCCC1
|
|
What is the building block token for the following molecule?
|
CNC(=O)CN(C)C1CCCCCC1
|
<BB_181>
|
What is the molecular formula for <BB_181>?
|
The molecular formula for <BB_181> (CNC(=O)CN(C)C1CCCCCC1) is C11H22N2O.
|
|
Describe the ring structures in building block <BB_181>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 7.
|
|
List the primary functional groups present in <BB_181>.
|
The molecule contains the following groups: Tertiary Amine, Amide.
|
|
Provide a comprehensive chemical profile for the building block <BB_181>.
|
**Token:** <BB_181>
**SMILES:** CNC(=O)CN(C)C1CCCCCC1
**Molecular Formula:** C11H22N2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Tertiary Amine, Amide
|
|
Provide the SMILES representation for the building block token <BB_182>.
|
COC(=O)[C@@H]1CNC[C@H]1c1ccccc1
|
|
What is the building block token for the following molecule?
|
COC(=O)[C@@H]1CNC[C@H]1c1ccccc1
|
<BB_182>
|
What is the molecular formula for <BB_182>?
|
The molecular formula for <BB_182> (COC(=O)[C@@H]1CNC[C@H]1c1ccccc1) is C12H15NO2.
|
|
Describe the ring structures in building block <BB_182>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_182>.
|
The molecule contains the following groups: Secondary Amine, Ester, Ether.
|
|
Provide a comprehensive chemical profile for the building block <BB_182>.
|
**Token:** <BB_182>
**SMILES:** COC(=O)[C@@H]1CNC[C@H]1c1ccccc1
**Molecular Formula:** C12H15NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Ether
|
|
Provide the SMILES representation for the building block token <BB_183>.
|
CC(C)C(=O)c1ccc(C(F)(F)F)cc1
|
|
What is the building block token for the following molecule?
|
CC(C)C(=O)c1ccc(C(F)(F)F)cc1
|
<BB_183>
|
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