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Provide the SMILES representation for the building block token <BB_400>.
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CC(=O)c1cc(Br)c(C)cc1F
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|
What is the building block token for the following molecule?
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CC(=O)c1cc(Br)c(C)cc1F
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<BB_400>
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What is the molecular formula for <BB_400>?
|
The molecular formula for <BB_400> (CC(=O)c1cc(Br)c(C)cc1F) is C9H8BrFO.
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Describe the ring structures in building block <BB_400>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
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List the primary functional groups present in <BB_400>.
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The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_400>.
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**Token:** <BB_400>
**SMILES:** CC(=O)c1cc(Br)c(C)cc1F
**Molecular Formula:** C9H8BrFO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I)
|
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Provide the SMILES representation for the building block token <BB_401>.
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CC(=O)Nc1ccc(O)cc1F
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What is the building block token for the following molecule?
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CC(=O)Nc1ccc(O)cc1F
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<BB_401>
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What is the molecular formula for <BB_401>?
|
The molecular formula for <BB_401> (CC(=O)Nc1ccc(O)cc1F) is C8H8FNO2.
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Describe the ring structures in building block <BB_401>.
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The molecule contains 1 ring(s): an aromatic ring of size 6.
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List the primary functional groups present in <BB_401>.
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The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_401>.
|
**Token:** <BB_401>
**SMILES:** CC(=O)Nc1ccc(O)cc1F
**Molecular Formula:** C8H8FNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I)
|
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Provide the SMILES representation for the building block token <BB_402>.
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CCNS(C)(=O)=O
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What is the building block token for the following molecule?
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CCNS(C)(=O)=O
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<BB_402>
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What is the molecular formula for <BB_402>?
|
The molecular formula for <BB_402> (CCNS(C)(=O)=O) is C3H9NO2S.
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Describe the ring structures in building block <BB_402>.
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The molecule is acyclic (contains no rings).
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List the primary functional groups present in <BB_402>.
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The molecule contains the following groups: Secondary Amine, Sulfonamide.
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Provide a comprehensive chemical profile for the building block <BB_402>.
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**Token:** <BB_402>
**SMILES:** CCNS(C)(=O)=O
**Molecular Formula:** C3H9NO2S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Sulfonamide
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Provide the SMILES representation for the building block token <BB_403>.
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C#Cc1ccnn1C1CC1(F)F
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What is the building block token for the following molecule?
|
C#Cc1ccnn1C1CC1(F)F
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<BB_403>
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What is the molecular formula for <BB_403>?
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The molecular formula for <BB_403> (C#Cc1ccnn1C1CC1(F)F) is C8H6F2N2.
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Describe the ring structures in building block <BB_403>.
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The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
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List the primary functional groups present in <BB_403>.
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The molecule contains the following groups: Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_403>.
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**Token:** <BB_403>
**SMILES:** C#Cc1ccnn1C1CC1(F)F
**Molecular Formula:** C8H6F2N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_404>.
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CC1NCCc2c(Br)ccc(F)c21.Cl
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What is the building block token for the following molecule?
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CC1NCCc2c(Br)ccc(F)c21.Cl
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<BB_404>
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What is the molecular formula for <BB_404>?
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The molecular formula for <BB_404> (CC1NCCc2c(Br)ccc(F)c21.Cl) is C10H12BrClFN.
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Describe the ring structures in building block <BB_404>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
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|
List the primary functional groups present in <BB_404>.
|
The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_404>.
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**Token:** <BB_404>
**SMILES:** CC1NCCc2c(Br)ccc(F)c21.Cl
**Molecular Formula:** C10H12BrClFN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_405>.
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C[C@H]1COC[C@H]1O
|
|
What is the building block token for the following molecule?
|
C[C@H]1COC[C@H]1O
|
<BB_405>
|
What is the molecular formula for <BB_405>?
|
The molecular formula for <BB_405> (C[C@H]1COC[C@H]1O) is C5H10O2.
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Describe the ring structures in building block <BB_405>.
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The molecule contains 1 ring(s): an aliphatic ring of size 5.
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List the primary functional groups present in <BB_405>.
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The molecule contains the following groups: Alcohol, Ether.
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Provide a comprehensive chemical profile for the building block <BB_405>.
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**Token:** <BB_405>
**SMILES:** C[C@H]1COC[C@H]1O
**Molecular Formula:** C5H10O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Alcohol, Ether
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Provide the SMILES representation for the building block token <BB_406>.
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Cl.NC1(c2ccc(Br)c3ccccc23)CC1
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What is the building block token for the following molecule?
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Cl.NC1(c2ccc(Br)c3ccccc23)CC1
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<BB_406>
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What is the molecular formula for <BB_406>?
|
The molecular formula for <BB_406> (Cl.NC1(c2ccc(Br)c3ccccc23)CC1) is C13H13BrClN.
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Describe the ring structures in building block <BB_406>.
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The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 3.
|
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List the primary functional groups present in <BB_406>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_406>.
|
**Token:** <BB_406>
**SMILES:** Cl.NC1(c2ccc(Br)c3ccccc23)CC1
**Molecular Formula:** C13H13BrClN
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_407>.
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CC1CN(c2ccc(C(=N)N)cn2)C(C)CO1.Cl.Cl
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What is the building block token for the following molecule?
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CC1CN(c2ccc(C(=N)N)cn2)C(C)CO1.Cl.Cl
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<BB_407>
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What is the molecular formula for <BB_407>?
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The molecular formula for <BB_407> (CC1CN(c2ccc(C(=N)N)cn2)C(C)CO1.Cl.Cl) is C12H20Cl2N4O.
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Describe the ring structures in building block <BB_407>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
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List the primary functional groups present in <BB_407>.
|
The molecule contains the following groups: Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_407>.
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**Token:** <BB_407>
**SMILES:** CC1CN(c2ccc(C(=N)N)cn2)C(C)CO1.Cl.Cl
**Molecular Formula:** C12H20Cl2N4O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_408>.
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Cc1ccc(C(C)N=C=O)s1
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What is the building block token for the following molecule?
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Cc1ccc(C(C)N=C=O)s1
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<BB_408>
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What is the molecular formula for <BB_408>?
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The molecular formula for <BB_408> (Cc1ccc(C(C)N=C=O)s1) is C8H9NOS.
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Describe the ring structures in building block <BB_408>.
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The molecule contains 1 ring(s): an aromatic ring of size 5.
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List the primary functional groups present in <BB_408>.
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The molecule contains the following groups: None specific.
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Provide a comprehensive chemical profile for the building block <BB_408>.
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**Token:** <BB_408>
**SMILES:** Cc1ccc(C(C)N=C=O)s1
**Molecular Formula:** C8H9NOS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** None specific
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Provide the SMILES representation for the building block token <BB_409>.
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CC(C)n1ccnc1Br
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What is the building block token for the following molecule?
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CC(C)n1ccnc1Br
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<BB_409>
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What is the molecular formula for <BB_409>?
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The molecular formula for <BB_409> (CC(C)n1ccnc1Br) is C6H9BrN2.
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Describe the ring structures in building block <BB_409>.
|
The molecule contains 1 ring(s): an aromatic ring of size 5.
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|
List the primary functional groups present in <BB_409>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_409>.
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**Token:** <BB_409>
**SMILES:** CC(C)n1ccnc1Br
**Molecular Formula:** C6H9BrN2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_410>.
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O=C(O)c1c(Br)cc(Br)cc1Br
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What is the building block token for the following molecule?
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O=C(O)c1c(Br)cc(Br)cc1Br
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<BB_410>
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What is the molecular formula for <BB_410>?
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The molecular formula for <BB_410> (O=C(O)c1c(Br)cc(Br)cc1Br) is C7H3Br3O2.
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Describe the ring structures in building block <BB_410>.
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The molecule contains 1 ring(s): an aromatic ring of size 6.
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List the primary functional groups present in <BB_410>.
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The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_410>.
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**Token:** <BB_410>
**SMILES:** O=C(O)c1c(Br)cc(Br)cc1Br
**Molecular Formula:** C7H3Br3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_411>.
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Cl.FC1(F)CCC2(CC1)COCCN2
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What is the building block token for the following molecule?
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Cl.FC1(F)CCC2(CC1)COCCN2
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<BB_411>
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What is the molecular formula for <BB_411>?
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The molecular formula for <BB_411> (Cl.FC1(F)CCC2(CC1)COCCN2) is C9H16ClF2NO.
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Describe the ring structures in building block <BB_411>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
|
|
List the primary functional groups present in <BB_411>.
|
The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_411>.
|
**Token:** <BB_411>
**SMILES:** Cl.FC1(F)CCC2(CC1)COCCN2
**Molecular Formula:** C9H16ClF2NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I)
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Provide the SMILES representation for the building block token <BB_412>.
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Fc1cc(F)c2[nH]c(Cl)nc2c1
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What is the building block token for the following molecule?
|
Fc1cc(F)c2[nH]c(Cl)nc2c1
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<BB_412>
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What is the molecular formula for <BB_412>?
|
The molecular formula for <BB_412> (Fc1cc(F)c2[nH]c(Cl)nc2c1) is C7H3ClF2N2.
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Describe the ring structures in building block <BB_412>.
|
The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
|
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List the primary functional groups present in <BB_412>.
|
The molecule contains the following groups: Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_412>.
|
**Token:** <BB_412>
**SMILES:** Fc1cc(F)c2[nH]c(Cl)nc2c1
**Molecular Formula:** C7H3ClF2N2
**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)
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Provide the SMILES representation for the building block token <BB_413>.
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O=C1OC(CI)CC12CCCC2
|
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What is the building block token for the following molecule?
|
O=C1OC(CI)CC12CCCC2
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<BB_413>
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What is the molecular formula for <BB_413>?
|
The molecular formula for <BB_413> (O=C1OC(CI)CC12CCCC2) is C9H13IO2.
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Describe the ring structures in building block <BB_413>.
|
The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
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|
List the primary functional groups present in <BB_413>.
|
The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I).
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Provide a comprehensive chemical profile for the building block <BB_413>.
|
**Token:** <BB_413>
**SMILES:** O=C1OC(CI)CC12CCCC2
**Molecular Formula:** C9H13IO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I)
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|
Provide the SMILES representation for the building block token <BB_414>.
|
CC(C=O)=Cc1ccccc1C(F)(F)F
|
|
What is the building block token for the following molecule?
|
CC(C=O)=Cc1ccccc1C(F)(F)F
|
<BB_414>
|
What is the molecular formula for <BB_414>?
|
The molecular formula for <BB_414> (CC(C=O)=Cc1ccccc1C(F)(F)F) is C11H9F3O.
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|
Describe the ring structures in building block <BB_414>.
|
The molecule contains 1 ring(s): an aromatic ring of size 6.
|
|
List the primary functional groups present in <BB_414>.
|
The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I).
|
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Provide a comprehensive chemical profile for the building block <BB_414>.
|
**Token:** <BB_414>
**SMILES:** CC(C=O)=Cc1ccccc1C(F)(F)F
**Molecular Formula:** C11H9F3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_415>.
|
CC(C)(N)/C=C/B1OC(C)(C)C(C)(C)O1.Cl
|
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What is the building block token for the following molecule?
|
CC(C)(N)/C=C/B1OC(C)(C)C(C)(C)O1.Cl
|
<BB_415>
|
What is the molecular formula for <BB_415>?
|
The molecular formula for <BB_415> (CC(C)(N)/C=C/B1OC(C)(C)C(C)(C)O1.Cl) is C11H23BClNO2.
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Describe the ring structures in building block <BB_415>.
|
The molecule contains 1 ring(s): an aliphatic ring of size 5.
|
|
List the primary functional groups present in <BB_415>.
|
The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I).
|
|
Provide a comprehensive chemical profile for the building block <BB_415>.
|
**Token:** <BB_415>
**SMILES:** CC(C)(N)/C=C/B1OC(C)(C)C(C)(C)O1.Cl
**Molecular Formula:** C11H23BClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I)
|
|
Provide the SMILES representation for the building block token <BB_416>.
|
CCOC(=O)c1cnc2c(C#N)cnn2c1C1CC1
|
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What is the building block token for the following molecule?
|
CCOC(=O)c1cnc2c(C#N)cnn2c1C1CC1
|
<BB_416>
|
What is the molecular formula for <BB_416>?
|
The molecular formula for <BB_416> (CCOC(=O)c1cnc2c(C#N)cnn2c1C1CC1) is C13H12N4O2.
|
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Describe the ring structures in building block <BB_416>.
|
The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 3.
|
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