Comments (5)
{'name': "4a,10b-dihydro-s-indaceno[1,2-b:5,6-b']dithiophene",
'smiles': '[Q]C1=C([R1])C2=C([R2])C3C(C2S1)=C([R3])C4=C([R2])C5=C(SC([Q])=C5[R1])C4=C3[R3]',
'code': '4IDT',
'xsmiles': '[*]C1=C([*])C2=C([*])C3C(C2S1)=C([*])C4=C([*])C5=C(SC([*])=C5[*])C4=C3[*]',
'xsmiles_label': '|$Q;;;R1;;;R2;;;;;;R3;;;R2;;;;;Q;;R1;;;R3$|'},
from pycofbuilder.
{'name': "3a,9a-dihydro-s-indaceno[2,1-b:6,5-b']dithiophene",
'smiles': '[Q]C(S1)=C([R1])C2=C1C([R2])=C3C2=C([R3])C4C([R2])=C5C(C([R1])=C([Q])S5)C4=C3[R3]',
'code': '3IDT',
'xsmiles': '[*]C(S1)=C([*])C2=C1C([*])=C3C2=C([*])C4C([*])=C5C(C([*])=C([*])S5)C4=C3[*]',
'xsmiles_label': '|$Q;;;;R1;;;;R2;;;;R3;;;R2;;;;R1;;Q;;;;R3$|'}
from pycofbuilder.
{'name': "1,5c-dihydrofluoreno[4,3-c]fluorene",
'smiles': '[Q]C1=C([R2])C2=C(C([R3])=C1[R1])C3=C4C(C(C(C([R3])=C([R1])C([Q])=C5[R2])=C5C6[R4])=C6C([R5])=C4[R6])C([R6])=C([R5])C3=C2[R4]',
'code': 'DFFE',
'xsmiles': '[*]C1=C([*])C2=C(C([*])=C1[*])C3=C4C(C(C(C([*])=C([*])C([*])=C5[*])=C5C6[*])=C6C([*])=C4[*])C([*])=C([*])C3=C2[*]',
'xsmiles_label': '|$Q;;;R2;;;;R3;;R1;;;;;;;R3;;R1;;Q;;R2;;;R4;;;R5;;R6;;R6;;R5;;;R4$|'}
from pycofbuilder.
{'name': "4b,4c,5,6-tetrahydropentaleno[1,2-a:4,5-a']diindene",
'smiles': '[Q]C1=C([R2])C(C([R4])=C2C3C4C(C(C(C([R3])=C([R1])C([Q])=C5[R2])=C5C6[R4])=C6C4[R5])=C2[R5])=C3C([R3])=C1[R1]',
'code': 'TPDI',
'xsmiles': '[*]C1=C([*])C(C([*])=C2C3C4C(C(C(C([*])=C([*])C([*])=C5[*])=C5C6[*])=C6C4[*])=C2[*])=C3C([*])=C1[*]',
'xsmiles_label': '|$Q;;;R2;;;R4;;;;;;;;R3;;R1;;Q;;R2;;;R4;;;R5;;R5;;;R3;;R1$|'}
from pycofbuilder.
{'name': "indeno[2,1-b]indeno[1',2':4,5]thieno[2,3-d]thiophene",
'smiles': '[Q]C1=C([R2])C(C([R4])=C(S2)C3=C4C2=C5C(S4)=C([R4])C6=C5C([R3])=C([R1])C([Q])=C6[R2])=C3C([R3])=C1[R1]',
'code': 'IITT',
'xsmiles': '[*]C1=C([*])C(C([*])=C(S2)C3=C4C2=C5C(S4)=C([*])C6=C5C([*])=C([*])C([*])=C6[*])=C3C([*])=C1[*]',
'xsmiles_label': '|$Q;;;R2;;;R4;;;;;;;;;;R4;;;;R3;;R1;;Q;;R2;;;R3;;R1$|'}
from pycofbuilder.
Related Issues (20)
- Add Nitrone-Linked connection group HOT 1
- Alterar os simbolos para representar simetria e conectividade dos blocos de construção.
- Assinalar átomos segundo sua origem
- How to build a new cof module monomer HOT 3
- Launch Sphinx-based manual
- Add 3D nets
- Add log
- Pedido de adição de novo ligante
- Implement 4+3 3D nets
- Implementing LON topology HOT 1
- Addition of building block into core library HOT 1
- AssertionError: Building Block name is invalid!
- The group topology and bbs were obtained from cif structure HOT 1
- 2D square, kagome and Rhombic topology COFs generation HOT 2
- Addition of a bb
- Addition of a bb
- Addition of a bb
- How to build cof with other topologies?
- How to build cof with other topologies HOT 1
- Add new connection group and building block
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