SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
CC(C)[C@H]1CCN(C(=NCc2ccc3ncccc3c2)NCC(F)F)C1
|
CCC)[C@H]CCNC=NCccccncccc6c%10))))))))))))NCCF)F)))))C5
|
[C][C][Branch1][C][C][C@H1][C][C][N][Branch2][Ring1][O][C][=Branch1][P][=N][C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][Branch1][C][F][F][C][Ring2][Ring1][#Branch1]
|
[C@H]15CCN(C(=NC6)N4)C1.c16ccc2ncccc2c1.C4C(F)F.CC5C
|
CC(C)C[C@H](O)C(=O)N[C@H](C)CC1CN(C(=O)CSCC(=O)N2CCOCC2)C1
|
CCC)C[C@H]O)C=O)N[C@H]C)CCCNC=O)CSCC=O)NCCOCC6)))))))))))C4
|
[C][C][Branch1][C][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][P]
|
CC(C)C[C@H](O)C3=O.N15CCOCC1.C19CN4C1.[C@@H]6(C)C9.C4(=O)C7.C8C5=O.N36.S78
|
C[C@]1(CCNC(=O)[C@@H]2CCN(C(=O)CCc3cscn3)C2)CCCO1
|
C[C@]CCNC=O)[C@@H]CCNC=O)CCccscn5))))))))C5)))))))))CCCO5
|
[C][C@][Branch2][Ring1][=C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][=C][S][C][=N][Ring1][Branch1][C][Ring1][=C][C][C][C][O][Ring2][Ring1][Branch2]
|
C[C@]18CCCO1.[C@@H]17CCN5C1.C5(=O)CC9.c19cscn1.C8C6.C47=O.N46
|
COc1nc(N2CCCC[C@@H]2C(=O)Nc2cc(C(F)(F)F)no2)ncc1Br
|
COcncNCCCC[C@@H]6C=O)NcccCF)F)F))no5)))))))))))))ncc6Br
|
[C][O][C][=N][C][Branch2][Ring1][#C][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][O][Ring1][=Branch2][=N][C][=C][Ring2][Ring1][Branch2][Br]
|
c14nc5ncc1Br.N15CCCC[C@@H]17.c16cc8no1.C8(F)(F)F.C37=O.CO4.N36
|
CC[C@H](C)C(=O)N(C)C[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)CC12CC2
|
CC[C@H]C)C=O)NC)C[C@@H]CNC=O)CNC=O)CF)F)F))))))CC5CC3
|
[C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#C][C][C][Ring1][Ring1]
|
[C@@H]18CN4CC12CC2.CC[C@H](C)C3=O.C5(=O)C(F)(F)F.C4(=O)C7.N36C.C68.N57
|
CCOC(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](C)N2C(=O)CN(C)C(C)C)c(Br)c1
|
CCOC=O)ccccNC=O)[C@@H]CC[C@H]C)N5C=O)CNC)CC)C))))))))))))cBr)c6
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C@@H1][C][C][C@H1][Branch1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][Branch1][C][C][C][Branch1][C][C][C][C][Branch1][C][Br][=C][Ring2][Ring1][Branch2]
|
c1%11ccc9c(Br)c1.[C@@H]1%10CC[C@H](C)N15.C5(=O)C7.C3%11=O.C4%10=O.N78C.C8(C)C.CC6.O36.N49
|
Cc1nonc1CC(=O)N1C[C@H](C)CN(C(=O)C2(CCF)CC2)[C@H](C)C1
|
Ccnonc5CC=O)NC[C@H]C)CNC=O)CCCF)))CC3))))[C@H]C)C7
|
[C][C][=N][O][N][=C][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][Branch1][Ring2][C][C][F][C][C][Ring1][=Branch1][C@H1][Branch1][C][C][C][Ring1][P]
|
N13C[C@H](C)CN4[C@H](C)C1.Cc1nonc16.C6C3=O.C157CC1.C45=O.C7CF
|
O=C(c1c(Cl)csc1Cl)N1CCC(CCNC(=O)[C@]2(O)CCOC2)CC1
|
O=CccCl)csc5Cl))))))NCCCCCNC=O)[C@]O)CCOC5)))))))))CC6
|
[O][=C][Branch1][N][C][C][Branch1][C][Cl][=C][S][C][=Ring1][=Branch1][Cl][N][C][C][C][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][C@][Branch1][C][O][C][C][O][C][Ring1][=Branch1][C][C][Ring1][P]
|
c17c(Cl)csc1Cl.N13CCC8CC1.[C@@]16(O)CCOC1.O=C37.C8C5.C46=O.N45
|
CC[C@@H](C)OCC(=O)N1CC[C@H](O)[C@@H]1C(=O)N(C)Cc1cccc(F)c1
|
CC[C@@H]C)OCC=O)NCC[C@H]O)[C@@H]5C=O)NC)CcccccF)c6
|
[C][C][C@@H1][Branch1][C][C][O][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][O][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]
|
N12CC[C@H](O)[C@@H]17.c18cccc(F)c1.CC[C@H]4C.C5C2=O.C37=O.N36C.O45.C68
|
CS(=O)(=O)[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2ccccc2F)C1)C1CC1
|
CS=O)=O)[C@H]C=O)N[C@H]C[C@@H]NC=O)cccccc6F)))))))))C4))))))CCC3
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C@H1][Branch2][Ring1][N][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][=C][C][C][C][Ring1][Ring1]
|
CS(=O)(=O)[C@@H]8C3=O.c17ccccc1F.[C@H]15C[C@@H]6C1.C47=O.C18CC1.N35.N46
|
CCc1cc(O)nc(-c2cccc(NC(=O)NCCCn3ccnn3)c2)n1
|
CCcccO)nc-cccccNC=O)NCCCnccnn5)))))))))))c6))))))n6
|
[C][C][C][=C][C][Branch1][C][O][=N][C][Branch2][Ring1][N][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][N][C][=C][N][=N][Ring1][Branch1][=C][Ring2][Ring1][C][=N][Ring2][Ring1][=Branch2]
|
c19cc(O)nc%10n1.c1%10cccc7c1.n18ccnn1.C6CC8.C45=O.CC9.N47.N56
|
CCC[C@H](C)[C@@H](C)NS(=O)(=O)c1ccc(NCc2nnc(C(C)(C)C)s2)nc1
|
CCC[C@H]C)[C@@H]C)NS=O)=O)ccccNCcnncCC)C)C))s5)))))))nc6
|
[C][C][C][C@H1][Branch1][C][C][C@@H1][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][=Branch2][N][=C][Ring1][P]
|
S5(=O)(=O)c1ccc6nc1.CCC[C@H](C)[C@H]3C.c17nnc8s1.C8(C)(C)C.N35.N46.C47
|
Cn1cnnc1C(=O)N[C@@H]1CN(C(=O)c2cc(F)cc(N)c2F)[C@H]2CCCC[C@@H]12
|
Cncnnc5C=O)N[C@@H]CNC=O)cccF)ccN)c6F))))))))[C@H]CCCC[C@@H]96
|
[C][N][C][=N][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][N][=C][Ring1][Branch2][F][C@H1][C][C][C][C][C@@H1][Ring2][Ring1][Ring2][Ring1][=Branch1]
|
[C@@H]15CN4[C@H]2CCCC[C@@H]12.c17cc(F)cc(N)c1F.Cn1cnnc16.C36=O.C47=O.N35
|
CC(C)C(=O)N(c1nc(C#N)nc2ccccc12)[C@H]1C[C@H](N)C1
|
CCC)C=O)NcncC#N))ncccccc%106))))))))))[C@H]C[C@H]N)C4
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=N][C][Branch1][Ring1][C][#N][=N][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C@H1][C][C@H1][Branch1][C][N][C][Ring1][Branch1]
|
c14nc(C#N)nc2ccccc12.CC(C)C3=O.[C@H]15C[C@H](N)C1.N345
|
C[C@H](C(=O)NNc1ccc(F)c(Cl)c1)c1ccnc(C(F)(F)F)c1
|
C[C@H]C=O)NNccccF)cCl)c6)))))))))cccncCF)F)F))c6
|
[C][C@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
|
C[C@@H]3C(=O)NNc1ccc(F)c(Cl)c1.c13ccnc2c1.C2(F)(F)F
|
Cc1ccccc1COCC(=O)N1C[C@H]2C[C@@]2(CNC(=O)Cc2sccc2C)C1
|
Ccccccc6COCC=O)NC[C@H]C[C@@]3CNC=O)Ccsccc5C))))))))))C6
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][C][=Branch1][C][=O][N][C][C@H1][C][C@@][Ring1][Ring1][Branch1][S][C][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=Ring1][Branch1][C][C][Ring1][P]
|
Cc1ccccc1%10.N13C[C@H]2C[C@@]29C1.c18sccc1C.C6C3=O.C4(=O)C8.C5%10.O56.C79.N47
|
CN(C(=O)c1ccc(Cl)c(F)c1N)[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC1(C)C
|
CNC=O)ccccCl)cF)c6N))))))))[C@@H]CNC=O)[C@H]CNC=O)N5))))))CC5C)C
|
[C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][N][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C@H1][C][N][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][Ring1][=N][Branch1][C][C][C]
|
c17ccc(Cl)c(F)c1N.[C@@H]15CN4CC1(C)C.[C@H]16CNC(=O)N1.CN35.C37=O.C46=O
|
C[C@H](NC(=O)CCOC1CCC1)[C@@H]1C[C@H]1C(=O)NCC1([Si](C)(C)C)CC1
|
C[C@H]NC=O)CCOCCCC4)))))))))[C@@H]C[C@H]3C=O)NCC[Si]C)C)C))CC3
|
[C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][O][C][C][C][C][Ring1][Ring2][C@@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][Si][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#Branch1]
|
C1%10([Si](C)(C)C)CC1.C2(=O)CC4.C15CCC1.[C@@H]19C[C@H]18.C[C@H]69.C38=O.N26.O45.N37.C7%10
|
CCC[C@@H](C)[C@H](C)NC(=O)C1CCN(C(=O)CCc2nc(C)no2)CC1
|
CCC[C@@H]C)[C@H]C)NC=O)CCCNC=O)CCcncC)no5))))))))CC6
|
[C][C][C][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][C][Ring1][S]
|
CCC[C@@H](C)[C@@H]5C.C16CCN4CC1.c17nc(C)no1.C4(=O)CC7.C36=O.N35
|
CN(CCC[C@@H](O)CO)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1
|
CNCCC[C@@H]O)CO))))))C=O)CNC=O)ccccNCCCC5=O))))))cc6
|
[C][N][Branch1][#Branch2][C][C][C][C@@H1][Branch1][C][O][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N]
|
C5CC[C@@H](O)CO.c17ccc8cc1.N18CCCC1=O.C3(=O)C6.CN35.C47=O.N46
|
COC(C)(C)CCCN=c1[nH]c(=NCC2(Br)CC2)[nH]c2ccccc12
|
COCC)C)CCCN=c[nH]c=NCCBr)CC3)))))[nH]cccccc%106
|
[C][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][=C][NH1][C][=Branch1][O][=N][C][C][Branch1][C][Br][C][C][Ring1][Ring2][NH1][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1]
|
C3(C)(C)CCCN=c1[nH]c(=NC4)[nH]c2ccccc12.C14(Br)CC1.CO3
|
CC[C@H](CNC(=O)C1CC(F)(F)C1)NC(=O)c1cc(C2CCCCC2)n(C)c1C
|
CC[C@H]CNC=O)CCCF)F)C4)))))))NC=O)cccCCCCCC6))))))nC)c5C
|
[C][C][C@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][Branch1][C][C][C][=Ring1][N][C]
|
c18cc9n(C)c1C.C17CC(F)(F)C1.C19CCCCC1.CC[C@@H]5C6.C37=O.C48=O.N36.N45
|
CCC[C@@H](CNC(=O)CC[C@@H]1CCN(C(=O)Cc2ccc(O)nc2)C1)OC
|
CCC[C@@H]CNC=O)CC[C@@H]CCNC=O)CccccO)nc6))))))))C5))))))))))OC
|
[C][C][C][C@@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][N][=C][Ring1][#Branch1][C][Ring1][#C][O][C]
|
c18ccc(O)nc1.CCC[C@H]5C6.[C@@H]17CCN4C1.C3(=O)CC7.C4(=O)C8.N36.O5C
|
CCc1ccc(O)cc1C(=O)N1C[C@H]2C[C@@H]1[C@H]2NC(=O)CSCC(N)=O
|
CCccccO)cc6C=O)NC[C@H]C[C@@H]5[C@H]4NC=O)CSCCN)=O
|
[C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Ring1][Branch1][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][S][C][C][Branch1][C][N][=O]
|
c19ccc(O)cc18.N13C[C@H]2C[C@@H]1[C@H]27.C4(=O)C5.C6C(N)=O.C38=O.CC9.N47.S56
|
C=C[C@@H](C1CC1)N(C)C(=O)C1(C)CN(C(=O)[C@@H]2C[C@H]3C=C[C@@H]2O3)C1
|
C=C[C@@H]CCC3)))NC)C=O)CC)CNC=O)[C@@H]C[C@H]C=C[C@@H]6O5))))))))C4
|
[C][=C][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C][C@H1][C][=C][C@@H1][Ring1][=Branch1][O][Ring1][Branch1][C][Ring1][=C]
|
[C@@H]18C[C@H]2C=C[C@@H]1O2.C17(C)CN5C1.C=C[C@H]69.C19CC1.N46C.C47=O.C58=O
|
C[C@H]1CCC[C@@]1(NC(=O)[C@H](O)CC(N)=O)C(=O)NCC1(C)CC1
|
C[C@H]CCC[C@@]5NC=O)[C@H]O)CCN)=O))))))C=O)NCCC)CC3
|
[C][C@H1][C][C][C][C@@][Ring1][Branch1][Branch1][S][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Ring1][Ring2]
|
C2(=O)[C@H](O)CC(N)=O.C[C@H]1CCC[C@@]146.C17(C)CC1.C36=O.N24.N35.C57
|
O=C(CCOC1CC1)N[C@H]1CCCC12CN(C(=O)[C@@H]1Cc3ccccc3S1)C2
|
O=CCCOCCC3))))))N[C@H]CCCC5CNC=O)[C@@H]Ccccccc6S9))))))))))C4
|
[O][=C][Branch1][=Branch2][C][C][O][C][C][C][Ring1][Ring1][N][C@H1][C][C][C][C][Ring1][Branch1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][Ring1][#C]
|
[C@H]18CCCC12CN5C2.[C@@H]19Cc2ccccc2S1.O=C4CC6.C17CC1.C59=O.O67.N48
|
CCC(CC)(CNC(=O)c1ccc(C#N)cc1)C(=O)N1CC(c2noc(C)n2)C1
|
CCCCC))CNC=O)ccccC#N))cc6)))))))))C=O)NCCcnocC)n5)))))C4
|
[C][C][C][Branch1][Ring1][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][Branch1][O][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1][C][Ring1][#Branch2]
|
CCC(C5)(CC)C4=O.c16ccc(C#N)cc1.c17noc(C)n1.N14CC7C1.C36=O.N35
|
CCC[C@@H]1CN(c2nc(N3CC[C@@H](C(N)=O)C3)nc3c2CCCCC3)C[C@H]1CO
|
CCC[C@@H]CNcncNCC[C@@H]CN)=O))C5)))))ncc6CCCCC7)))))))))))C[C@H]5CO
|
[C][C][C][C@@H1][C][N][Branch2][Ring1][S][C][=N][C][Branch1][#C][N][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][Branch2][=N][C][=C][Ring1][=C][C][C][C][C][C][Ring1][#Branch1][C][C@H1][Ring2][Ring1][Branch2][C][O]
|
c14nc5nc2c1CCCCC2.[C@@H]17CN4C[C@H]18.N15CC[C@@H]6C1.CCC7.C6(N)=O.C8O
|
CCO[C@@H](C)CCC(=O)NC1(COC)CN(C(=O)[C@H]2CNC(=O)C2)C1
|
CCO[C@@H]C)CCC=O)NCCOC)))CNC=O)[C@H]CNC=O)C5))))))C4
|
[C][C][O][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][Branch1][Ring2][C][O][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@H1][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1][C][Ring1][#C]
|
[C@H]6(C)CCC3=O.C18%10CN4C1.[C@H]19CNC(=O)C1.C49=O.CC5.O56.N38.C7%10.O7C
|
CCC1(C#CC(=O)NCc2ccccc2CNC(=O)C2C3CCC2CC3)COC1
|
CCCC#CC=O)NCcccccc6CNC=O)CCCCC5CC6)))))))))))))))))))))COC4
|
[C][C][C][Branch2][Ring2][C][C][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=Branch1][C][O][C][Ring2][Ring1][O]
|
C19(C#CC4=O)COC1.c1%10ccccc1%11.C18C2CCC1CC2.C58=O.CC9.N46.C6%10.C7%11.N57
|
CC[C@H](CN(C)C(=O)c1cc2ncccc2o1)NC(=O)c1onc2c1CCCC2
|
CC[C@H]CNC)C=O)cccncccc6o9))))))))))))NC=O)concc5CCCC6
|
[C][C][C@H1][Branch2][Ring1][#Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][C][=Branch1][C][=O][C][O][N][=C][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1]
|
c17cc2ncccc2o1.c18onc2c1CCCC2.CC[C@@H]5C6.N36C.C37=O.C48=O.N45
|
CCCC[C@@H](CCC)NC(=O)NCc1cc(Cl)ncc1Br
|
CCCC[C@@H]CCC)))NC=O)NCcccCl)ncc6Br
|
[C][C][C][C][C@@H1][Branch1][Ring2][C][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][Br]
|
CCCC[C@H]4CCC.c16cc(Cl)ncc1Br.C23=O.N24.N35.C56
|
C[C@H](Sc1ccc(C#N)cc1)C(=O)NC[C@@]1(C)CCCN(C(=O)C#CC2CC2)C1
|
C[C@H]SccccC#N))cc6)))))))C=O)NC[C@@]C)CCCNC=O)C#CCCC3))))))C6
|
[C][C@H1][Branch1][=C][S][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][#C][C][C][C][Ring1][Ring1][C][Ring1][=C]
|
c18ccc(C#N)cc1.[C@]17(C)CCCN4C1.C4(=O)C#CC1CC1.C[C@H]6C3=O.S68.N35.C57
|
O=C(C1[C@H]2C3[C@H]1[C@@H]1C[C@@H]2C31C(=O)N1CC[C@@H]2COC[C@@H]2C1)N1CC2(CCC2)C1
|
O=CC[C@H]C[C@H]4[C@@H]C[C@@H]6C64C=O)NCC[C@@H]COC[C@@H]5C9))))))))))))))))))NCCCCC4)))C4
|
[O][=C][Branch2][Ring2][C][C][C@H1][C][C@H1][Ring1][Ring2][C@@H1][C][C@@H1][Ring1][=Branch1][C][Ring1][=Branch1][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C@@H1][C][O][C][C@@H1][Ring1][Branch1][C][Ring1][=Branch2][N][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][#Branch1]
|
C16[C@H]2C3[C@H]1[C@@H]1C[C@@H]2C317.N15CC[C@@H]2COC[C@@H]2C1.N14CC2(CCC2)C1.O=C46.C57=O
|
COC1(CCN=c2[nH]c(=N)[nH]c(=N[C@H](C)c3csc(C(C)C)n3)[nH]2)CCC1
|
COCCCN=c[nH]c=N)[nH]c=N[C@H]C)ccscCC)C))n5)))))))[nH]6)))))))))CCC4
|
[C][O][C][Branch2][Ring2][=Branch1][C][C][N][=C][NH1][C][=Branch1][C][=N][NH1][C][=Branch2][Ring1][Ring2][=N][C@H1][Branch1][C][C][C][=C][S][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2][NH1][Ring2][Ring1][C][C][C][C][Ring2][Ring1][=Branch2]
|
C7CN=c1[nH]c(=N)[nH]c(=N[C@@H]5C)[nH]1.c15csc6n1.C147CCC1.C6(C)C.CO4
|
Cc1nc(C(C)(C)C)ncc1C(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)C[C@@H](C)F)CC1
|
CcncCC)C)C))ncc6C=O)N[C@@H]C[C@H]3CCCNC=O)C[C@@H]C)F))))CC6
|
[C][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C@@H1][C][C@H1][Ring1][Ring1][C][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][F][C][C][Ring1][N]
|
[C@@H]14C[C@H]1C1CCN3CC1.Cc1nc6ncc15.C3(=O)C[C@@H](C)F.C6(C)(C)C.C25=O.N24
|
C/C=C/C[C@@H](C)C(=O)N[C@H]1CN(C(=O)CN2Cc3ccccc3C2)CC[C@H]1F
|
C/C=C/C[C@@H]C)C=O)N[C@H]CNC=O)CNCcccccc6C9)))))))))))CC[C@H]6F
|
[C][/C][=C][/C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][C][C@H1][Ring2][Ring1][C][F]
|
N16Cc2ccccc2C1.[C@H]17CN5CC[C@H]1F.C=8C[C@@H](C)C4=O.C5(=O)C6.CC=8.N47
|
COC(Cc1cn(C2CCN(C(=O)c3cc([N+](=O)[O-])cnc3C)CC2)nn1)OC
|
COCCccnCCCNC=O)ccc[N+]=O)[O-]))cnc6C))))))))CC6))))))nn5))))))OC
|
[C][O][C][Branch2][Ring2][=N][C][C][=C][N][Branch2][Ring1][P][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][N][=C][Ring1][=Branch2][C][C][C][Ring2][Ring1][C][N][=N][Ring2][Ring1][#Branch1][O][C]
|
c17cc([N+](=O)[O-])cnc1C.C19CCN4CC1.c18cn9nn1.C56C8.C47=O.CO5.O6C
|
C=CCCC(=O)N[C@H]1CCN(C(=O)CC2(C)CCCCC2)C[C@H]1C(C)C
|
C=CCCC=O)N[C@H]CCNC=O)CCC)CCCCC6))))))))C[C@H]6CC)C
|
[C][=C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][C][C][Ring1][#Branch1][C][C@H1][Ring1][S][C][Branch1][C][C][C]
|
[C@H]15CCN4C[C@H]17.C16(C)CCCCC1.C=CCCC3=O.C4(=O)C6.C7(C)C.N35
|
C=CCC1(NC(=O)C[C@@H]2C=CS(=O)(=O)C2)CN(C(=O)[C@@H]2CCC3(CCC3)O2)C1
|
C=CCCNC=O)C[C@@H]C=CS=O)=O)C5))))))))CNC=O)[C@@H]CCCCCC4)))O5))))))C4
|
[C][=C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C@@H1][C][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@@H1][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][O][Ring1][Branch2][C][Ring2][Ring1][=Branch2]
|
[C@@H]17CCC2(CCC2)O1.[C@@H]19C=CS(=O)(=O)C1.C168CN5C1.C4(=O)C9.C=CC8.C57=O.N46
|
COC[C@H](OC)C(=O)NC1CN(C(=O)CCc2c(C)ncnc2O)C1
|
COC[C@H]OC))C=O)NCCNC=O)CCccC)ncnc6O))))))))))C4
|
[C][O][C][C@H1][Branch1][Ring1][O][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][=C][Branch1][C][C][N][=C][N][=C][Ring1][#Branch1][O][C][Ring1][S]
|
c18c(C)ncnc1O.C5[C@H]6C3=O.C17CN4C1.C4(=O)CC8.CO5.O6C.N37
|
C=C(C)CCCC(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1cn3cc(C)nc3s1)C2
|
C=CC)CCCC=O)N[C@H]CC[C@H]5CCNC)C=O)ccnccC)nc5s8))))))))))C7
|
[C][=C][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Ring1][Branch1][C][C][Branch2][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][C][=C][Branch1][C][C][N][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][Ring2][Ring1][Ring2]
|
N14[C@H]2CC[C@H]1CC6C2.c17cn2cc(C)nc2s1.C=C(C)CCCC4=O.N56C.C57=O
|
C=CCn1cc(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)[C@H]3C[C@@H](O)C3)C2)nn1
|
C=CCnccC=O)NCCC[C@H]C=O)NCCNC=O)[C@H]C[C@@H]O)C4))))))))))C6)))))))nn5
|
[C][=C][C][N][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch1][C][O][C][Ring1][Branch1][C][Ring2][Ring1][Ring1][N][=N][Ring2][Ring1][#Branch2]
|
N14CCC[C@H]%10C1.n1%12cc9nn1.[C@H]1%11C[C@@H](O)C1.C=CC%12.C49=O.C5%10=O.C7C8.C6%11=O.N57.N68
|
CCCC1(CNc2ccc(S(=O)(=O)NC[C@H]3CCCO[C@@H]3C(C)C)c(Cl)c2)CC1
|
CCCCCNccccS=O)=O)NC[C@H]CCCO[C@@H]6CC)C)))))))))))cCl)c6))))))))CC3
|
[C][C][C][C][Branch2][Ring2][Branch2][C][N][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@H1][C][C][C][O][C@@H1][Ring1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][Cl][=C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][#Branch2]
|
c17ccc(S6(=O)=O)c(Cl)c1.[C@H]1%11CCCO[C@@H]18.C19%10CC1.CCC9.C8(C)C.C4%10.N47.N56.C5%11
|
CC[C@@H](C)NC(=NCCCC1CCOCC1)NC[C@]1(OC)CCS(=O)(=O)C1
|
CC[C@@H]C)NC=NCCCCCCOCC6))))))))))NC[C@]OC))CCS=O)=O)C5
|
[C][C][C@@H1][Branch1][C][C][N][C][=Branch1][=N][=N][C][C][C][C][C][C][O][C][C][Ring1][=Branch1][N][C][C@][Branch1][Ring1][O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][=Branch2]
|
N3C(=NCCC5)N4.[C@]126CCS(=O)(=O)C1.C15CCOCC1.CC[C@H]3C.C46.O2C
|
Cc1c(Cl)ccnc1C(=O)N[C@@H](CNC(=O)[C@H]1C(F)(F)C12CC2)CC(C)C
|
CccCl)ccnc6C=O)N[C@@H]CNC=O)[C@H]CF)F)C3CC3))))))))CCC)C
|
[C][C][=C][Branch1][C][Cl][C][=C][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C@H1][C][Branch1][C][F][Branch1][C][F][C][Ring1][Branch1][C][C][Ring1][Ring1][C][C][Branch1][C][C][C]
|
Cc1c(Cl)ccnc17.[C@H]5(C6)CC(C)C.[C@H]18C(F)(F)C12CC2.C37=O.C48=O.N35.N46
|
COC[C@]1(C(=O)NC[C@H]2CN3CC[C@H]2C3)C=CCN1C(=O)c1ccsc1C
|
COC[C@]C=O)NC[C@H]CNCC[C@H]6C5))))))))))C=CCN5C=O)cccsc5C
|
[C][O][C][C@][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C@H1][C][N][C][C][C@H1][Ring1][=Branch1][C][Ring1][Branch1][C][=C][C][N][Ring1][S][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C]
|
[C@]18%10C=CCN15.[C@H]1%11CN2CC[C@H]1C2.c19ccsc1C.C48=O.C59=O.CO6.C6%10.N47.C7%11
|
COc1cc(Cl)cc(CC(=O)N[C@@H]2CN(C(=O)C(C)(C)SC)CC3(CC3)C2)c1
|
COcccCl)ccCC=O)N[C@@H]CNC=O)CC)C)SC))))CCCC3))C6)))))))))c6
|
[C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][S][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][#C][=C][Ring2][Ring1][#Branch2]
|
[C@@H]18CN5CC2(CC2)C1.c16cc9cc(Cl)c1.C5(=O)C7(C)C.C9C4=O.CO6.N48.S7C
|
CN(C[C@H](O)CNC(=O)COC[C@H]1CCOC1)C(=O)CCC(C)(C)N(C)C
|
CNC[C@H]O)CNC=O)COC[C@H]CCOC5)))))))))))))C=O)CCCC)C)NC)C
|
[C][N][Branch2][Ring1][=Branch1][C][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][O][C][C@H1][C][C][O][C][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][N][Branch1][C][C][C]
|
C3(=O)CCC8(C)C.C6[C@H](O)C7.[C@H]19CCOC1.C2(=O)C4.CN36.N8(C)C.N27.O45.C59
|
CCOC1(CCNc2cc(Br)ccc2S(=O)(=O)N2CCC(CSC)CC2)CCC1
|
CCOCCCNcccBr)ccc6S=O)=O)NCCCCSC)))CC6))))))))))))))))CCC4
|
[C][C][O][C][Branch2][Ring2][Ring1][C][C][N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][S][C][C][C][Ring1][=Branch2][C][C][C][Ring2][Ring1][#Branch2]
|
c18cc(Br)ccc1S7(=O)=O.N17CCC%10CC1.C149CCC1.C9C5.CC3.O34.N58.C6%10.S6C
|
O=C(NC[C@]12CCC[C@@H]1N(C(=O)Cc1ncsc1Cl)CCC2)c1cnc[nH]1
|
O=CNC[C@]CCC[C@@H]5NC=O)Ccncsc5Cl))))))))CCC9)))))))))))ccnc[nH]5
|
[O][=C][Branch2][Ring1][S][N][C][C@][C][C][C][C@@H1][Ring1][Branch1][N][Branch1][=C][C][=Branch1][C][=O][C][C][N][=C][S][C][=Ring1][Branch1][Cl][C][C][C][Ring2][Ring1][C][C][=C][N][=C][NH1][Ring1][Branch1]
|
[C@]128CCC[C@@H]1N4CCC2.c17ncsc1Cl.c16cnc[nH]1.C4(=O)C7.O=C36.N35.C58
|
O=C(C(=O)N1CCCC2(CCN(C(=O)[C@H]3C[C@@H]3F)CC2)C1)c1ccco1
|
O=CC=O)NCCCCCCNC=O)[C@H]C[C@@H]3F)))))CC6)))))C6)))))))cccco5
|
[O][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring2][C][C][N][Branch1][O][C][=Branch1][C][=O][C@H1][C][C@@H1][Ring1][Ring1][F][C][C][Ring1][N][C][Ring1][P][C][=C][C][=C][O][Ring1][Branch1]
|
N14CCCC2(CCN5CC2)C1.O=C6C4=O.c16ccco1.[C@H]17C[C@@H]1F.C57=O
|
CN(C)c1ccc(Br)cc1CN1CC[C@H](C(=O)N2CCC[C@@H](CO)C2)C1
|
CNC)ccccBr)cc6CNCC[C@H]C=O)NCCC[C@@H]CO))C6)))))))C5
|
[C][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][N][C][C][C@H1][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][Ring1][C][O][C][Ring1][Branch2][C][Ring1][#C]
|
c15ccc(Br)cc18.N13CCC[C@@H]7C1.N14CC[C@H]6C1.CN5C.C36=O.C48.C7O
|
COCCC1(C(=O)NC[C@@H]2CN(C(=O)CCc3nc(C)c(C)o3)CC23CC3)CC1
|
COCCCC=O)NC[C@@H]CNC=O)CCcncC)cC)o5))))))))CC5CC3))))))))))CC3
|
[C][O][C][C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][O][Ring1][#Branch1][C][C][Ring1][S][C][C][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2]
|
[C@@H]1%11CN5CC12CC2.c19nc(C)c(C)o1.C5(=O)CC9.C18%10CC1.C6C%10.C48=O.CO6.N47.C7%11
|
O=C([C@@H]1CCC(F)(F)C1)N1CCC[C@@](F)(C(=O)NCCc2ccco2)C1
|
O=C[C@@H]CCCF)F)C5)))))NCCC[C@@]F)C=O)NCCcccco5)))))))))C6
|
[O][=C][Branch1][=C][C@@H1][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][N][C][C][C][C@@][Branch1][C][F][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][P]
|
N13CCC[C@]7(F)C1.[C@@H]16CCC(F)(F)C1.c18ccco1.O=C36.C47=O.C5C8.N45
|
O=C(CC[C@@H]1CC1(F)F)N1CCN(C(=O)c2cc(F)cc3nc[nH]c23)[C@H](CO)C1
|
O=CCC[C@@H]CC3F)F))))))NCCNC=O)cccF)ccnc[nH]c95))))))))))[C@H]CO))C6
|
[O][=C][Branch1][N][C][C][C@@H1][C][C][Ring1][Ring1][Branch1][C][F][F][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][N][=C][NH1][C][Ring1][#Branch2][=Ring1][Branch1][C@H1][Branch1][Ring1][C][O][C][Ring2][Ring1][Ring2]
|
c16cc(F)cc2nc[nH]c12.N14CCN5[C@H]7C1.O=C4CC8.[C@@H]18CC1(F)F.C56=O.C7O
|
C#CC[C@](C)(NC(=O)CCCCCC#N)C(=O)N[C@H](C)c1cnn(C)c1
|
C#CC[C@]C)NC=O)CCCCCC#N)))))))))C=O)N[C@H]C)ccnnC)c5
|
[C][#C][C][C@][Branch1][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][C][C][#N][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1]
|
C2(=O)CCCCCC#N.C#CC[C@@]4(C)C3=O.c16cnn(C)c1.[C@H]56C.N24.N35
|
CNC(=O)CC(=O)N1CCC(C(C)(C)CNC(=O)[C@@H]2C[C@H]3CCC[C@H]32)CC1
|
CNC=O)CC=O)NCCCCC)C)CNC=O)[C@@H]C[C@H]CCC[C@H]57)))))))))))CC6
|
[C][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][C][C][C][C@H1][Ring1][Branch1][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2]
|
N15CCC9CC1.[C@@H]18C[C@H]2CCC[C@H]21.C4(=O)CC5=O.C9(C)(C)C7.C68=O.CN4.N67
|
C[C@]1(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)CC=Cc2ccc(F)cc2)C3)C[C@H](C#N)C1
|
C[C@]C=O)N[C@H]CC[C@H]5CNC=O)CC=CccccF)cc6))))))))))C7)))))))))C[C@H]C#N))C4
|
[C][C@][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Ring1][Branch1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][C][C@H1][Branch1][Ring1][C][#N][C][Ring2][Ring1][N]
|
N14[C@H]2CC[C@H]1CN5C2.C=7c1ccc(F)cc1.C[C@]16C[C@H](C#N)C1.C5(=O)CC=7.C46=O
|
O=C(NCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CN3CCN2CC3)C1)c1cccs1
|
O=CNCCC=O)NCCO)CNC=O)[C@@H]CNCCN6CC6)))))))))))C4))))))))ccccs5
|
[O][=C][Branch2][Ring2][=Branch1][N][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C@@H1][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1][C][Ring1][P][C][=C][C][=C][S][Ring1][Branch1]
|
[C@@H]19CN2CCN1CC2.N15CC%11(O)C1.C7CC5=O.c1%10cccs1.O=C4%10.C69=O.N47.C8%11.N68
|
CC[C@H](CN(C)C(=O)c1ccc(C)nc1)NC(=O)c1cnc(C(F)(F)F)c(F)c1
|
CC[C@H]CNC)C=O)ccccC)nc6)))))))))NC=O)ccncCF)F)F))cF)c6
|
[C][C][C@H1][Branch2][Ring1][Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][=C][Ring1][O]
|
c17cnc8c(F)c1.c16ccc(C)nc1.CC[C@@H]4C5.C8(F)(F)F.N25C.C26=O.C37=O.N34
|
COc1cnnc(C(=O)NCCC(F)(F)Cn2cc([C@H](O)C3CC3)nn2)c1
|
COccnncC=O)NCCCF)F)Cncc[C@H]O)CCC3))))nn5)))))))))))c6
|
[C][O][C][=C][N][=N][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][C][F][C][N][C][=C][Branch1][#Branch2][C@H1][Branch1][C][O][C][C][C][Ring1][Ring1][N][=N][Ring1][#Branch2][=C][Ring2][Ring1][=Branch2]
|
c15cnnc7c1.C6CC(F)(F)C8.n18cc9nn1.C47=O.[C@H]9%10O.C1%10CC1.CO5.N46
|
CCN(CC)C[C@H](C)NC(=O)[C@H]1CC12CC(NC(=O)CC1C(C)(C)C1(C)C)C2
|
CCNCC))C[C@H]C)NC=O)[C@H]CC3CCNC=O)CCCC)C)C3C)C)))))))C4
|
[C][C][N][Branch1][Ring1][C][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][Ring1][Ring1][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch1][Branch1][C][C][C][C][Ring1][#C]
|
[C@H]1%10CC12CC9C2.C1%11C(C)(C)C1(C)C.C7[C@@H]8C.C4(=O)C%11.N567.C3%10=O.CC5.C6C.N38.N49
|
CCc1ccc(C(=O)N2CCO[C@@](C)(CNC(=O)C[C@H]3CCCO3)C2)s1
|
CCccccC=O)NCCO[C@@]C)CNC=O)C[C@H]CCCO5)))))))))C6)))))))s5
|
[C][C][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][O][C@@][Branch1][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][C@H1][C][C][C][O][Ring1][Branch1][C][Ring1][P][S][Ring2][Ring1][Branch2]
|
N14CCO[C@]8(C)C1.c1%10ccc7s1.[C@H]19CCCO1.C5(=O)C9.C47=O.CC%10.C68.N56
|
CCN(C(=O)C1CC(C)(F)C1)[C@@H]1CCN(C(=O)c2ccc3n[nH]cc3n2)C1
|
CCNC=O)CCCC)F)C4)))))[C@@H]CCNC=O)ccccn[nH]cc5n9))))))))))C5
|
[C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][F][C][Ring1][=Branch1][C@@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][=N][NH1][C][=C][Ring1][Branch1][N][=Ring1][=Branch2][C][Ring1][S]
|
c18ccc2n[nH]cc2n1.C19CC(C)(F)C1.[C@@H]17CCN5C1.N467.C49=O.C58=O.CC6
|
CC(C)[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3C[C@@H]2C[C@H]3NC(=O)C#CC2CCC2)CO1
|
CCC)[C@@H]C[C@H]NC=O)[C@@H]C[C@H]C[C@@H]5C[C@H]5NC=O)C#CCCCC4)))))))))))))))))CO5
|
[C][C][Branch1][C][C][C@@H1][C][C@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][C][C@@H1][Ring1][Branch1][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][#C][C][C][C][C][Ring1][Ring2][C][O][Ring2][Ring1][Branch2]
|
[C@@H]18C[C@H]2C[C@@H]1C[C@H]27.C5(=O)C#CC1CCC1.[C@@H]19C[C@H]6CO1.CC9C.C48=O.N46.N57
|
CN(C)Cc1ccc(C(=O)NC(C)(C)[C@@H]2CCN(C(=O)c3csc(F)c3)C2)o1
|
CNC)CccccC=O)NCC)C)[C@@H]CCNC=O)ccscF)c5))))))C5))))))))o5
|
[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C@@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][F][=C][Ring1][=Branch1][C][Ring1][=N][O][Ring2][Ring1][Branch2]
|
c1%10ccc8o1.[C@@H]1%11CCN5C1.c19csc(F)c1.C7%11(C)C.CN6C.C48=O.C59=O.C6%10.N47
|
CCN1CCC[C@H]1C(=O)N1CCC[C@@]1(C)CCC(=O)N1CC[C@H](O)C[C@@H]1C
|
CCNCCC[C@H]5C=O)NCCC[C@@]5C)CCC=O)NCC[C@H]O)C[C@@H]6C
|
[C][C][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@@][Ring1][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][O][C][C@@H1][Ring1][#Branch1][C]
|
N13CC[C@H](O)C[C@@H]1C.N12CCC[C@]16C.N14CCC[C@H]15.C6CC3=O.C25=O.CC4
|
CC(C)(C(=O)NCCCCCO)[C@@H]1CCN(C(=O)CC2OCCO2)C1
|
CCC)C=O)NCCCCCO))))))))[C@@H]CCNC=O)CCOCCO5)))))))C5
|
[C][C][Branch1][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][O][C@@H1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][O][C][C][O][Ring1][Branch1][C][Ring1][=N]
|
CC7(C)C3=O.C5CCCCO.[C@@H]17CCN4C1.C16OCCO1.C4(=O)C6.N35
|
C[C@@H](O)[C@@H](NC(N)=O)C(=O)NC1CN(C(=O)Cc2cc(O)nnc2O)C1
|
C[C@@H]O)[C@@H]NCN)=O)))C=O)NCCNC=O)CcccO)nnc6O)))))))))C4
|
[C][C@@H1][Branch1][C][O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][O][=N][N][=C][Ring1][#Branch1][O][C][Ring1][#C]
|
c18cc(O)nnc1O.C[C@@H](O)[C@@H]6C4=O.C17CN5C1.C5(=O)C8.C3(N)=O.N36.N47
|
C[C@@H](CNC(=O)C[C@H]1CC1(Cl)Cl)NC(=O)C[C@H]1C=CCCC1
|
C[C@@H]CNC=O)C[C@H]CC3Cl)Cl))))))))NC=O)C[C@H]C=CCCC6
|
[C][C@@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][C@H1][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][N][C][=Branch1][C][=O][C][C@H1][C][=C][C][C][C][Ring1][=Branch1]
|
[C@H]17C=CCCC1.[C@H]16CC1(Cl)Cl.C[C@H]4C5.C2(=O)C6.C3(=O)C7.N25.N34
|
C=C/C=C(\C)C(=O)N1CC[C@@H](NC(=O)[C@H](NC(=O)CC(C)C)c2ccccc2)C1
|
C=C/C=C\C)C=O)NCC[C@@H]NC=O)[C@H]NC=O)CCC)C)))))cccccc6)))))))))C5
|
[C][=C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][N][N][C][=Branch1][C][=O][C@H1][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1]
|
N13CC[C@@H]7C1.C5(=O)CC(C)C.c19ccccc1.C=8(C)C3=O.C4(=O)[C@H]69.C=CC=8.N47.N56
|
CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@](C)(CNC(=O)[C@H](C)[C@H](O)C(C)C)C1
|
CC=O)NCCC[C@@H]5C=O)NCC[C@]C)CNC=O)[C@H]C)[C@H]O)CC)C)))))))C5
|
[C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][C][C][Ring1][P]
|
C4(=O)[C@H](C)[C@H](O)C(C)C.N13CC[C@@]7(C)C1.N12CCC[C@@H]16.CC2=O.C36=O.C57.N45
|
Cc1ccc2cc(C(=O)N[C@H]3CC[C@@H](N(C)C(=O)C4=CCCS4)CC3)cnc2c1
|
CccccccC=O)N[C@H]CC[C@@H]NC)C=O)C=CCCS5)))))))CC6))))))))cnc6c%10
|
[C][C][=C][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Branch1][S][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][C][S][Ring1][Branch1][C][C][Ring1][#C][C][=N][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N]
|
Cc1ccc2cc9cnc2c1.[C@H]17CC[C@@H]8CC1.C6(=O)C1=CCCS1.C59=O.N68C.N57
|
COC(=O)Nc1ccc(C(=O)N[C@H]2CN(C(=O)[C@@H](C)SC)C[C@H]2OC)cc1OC
|
COC=O)NccccC=O)N[C@H]CNC=O)[C@@H]C)SC))))C[C@H]5OC)))))))))cc6OC
|
[C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C@H1][C][N][Branch1][O][C][=Branch1][C][=O][C@@H1][Branch1][C][C][S][C][C][C@H1][Ring1][O][O][C][C][=C][Ring2][Ring1][=Branch1][O][C]
|
c1%11ccc4cc19.[C@H]1%12CN7C[C@H]18.C7(=O)[C@H]%10C.C35=O.C64=O.CO3.N5%11.N6%12.S%10C.O8C.O9C
|
CCc1onc(C)c1C(=O)N1CCC(O)(CN(C)C(=O)c2ccc(O)nc2)CC1
|
CCconcC)c5C=O)NCCCO)CNC)C=O)ccccO)nc6)))))))))CC6
|
[C][C][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch2][Ring1][Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][N][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1]
|
N13CCC9(O)CC1.c18onc(C)c16.c17ccc(O)nc1.C36=O.N45C.C47=O.CC8.C59
|
CS[C@H](C(=O)N[C@@]12CC[C@@H](C1)N(C(=O)CN=S(C)(C)=O)C2)C1CC1
|
CS[C@H]C=O)N[C@@]CC[C@@H]C5)NC=O)CN=SC)C)=O)))))C6))))))))CCC3
|
[C][S][C@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C@@][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][N][Branch1][#C][C][=Branch1][C][=O][C][N][=S][Branch1][C][C][Branch1][C][C][=O][C][Ring1][#C][C][C][C][Ring1][Ring1]
|
[C@@]126CC[C@@H](C1)N4C2.C4(=O)CN=S(C)(C)=O.[C@H]57C3=O.C17CC1.CS5.N36
|
Cc1nccc2c(=O)c(C(=O)NCCCNC(=O)CCC[C@H]3C[C@@H]3C)c[nH]c12
|
Ccncccc=O)cC=O)NCCCNC=O)CCC[C@H]C[C@@H]3C))))))))))))))c[nH]c%106
|
[C][C][=N][C][=C][C][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][C][C][C@H1][C][C@@H1][Ring1][Ring1][C][=C][NH1][C][Ring2][Ring1][O][=Ring2][Ring1][#Branch1]
|
Cc1nccc2c(=O)c8c[nH]c12.C5(=O)CCC9.C6CC7.[C@H]19C[C@@H]1C.C48=O.N46.N57
|
CCCN1C[C@@H](C(=O)NCCNC(=O)c2nnc3ccccc3c2O)CC1=O
|
CCCNC[C@@H]C=O)NCCNC=O)cnncccccc6c%10O)))))))))))))))))CC5=O
|
[C][C][C][N][C][C@@H1][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=N][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][C][Ring2][Ring1][Branch2][=O]
|
c18nnc2ccccc2c1O.N1%10C[C@@H]9CC1=O.CCC%10.C49=O.C6C7.C58=O.N46.N57
|
CN(CCCCNC(=O)c1cccc2c1C1CCC2CC1)C(=O)C[C@H]1CCCO1
|
CNCCCCNC=O)cccccc6CCCC6CC6))))))))))))))))))C=O)C[C@H]CCCO5
|
[C][N][Branch2][Ring1][N][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][C@H1][C][C][C][O][Ring1][Branch1]
|
c17cccc2c1C1CCC2CC1.C5CCC6.[C@H]18CCCO1.C4(=O)C8.CN45.C37=O.N36
|
COC(=O)C[C@H]1CCCN1C(=O)c1[nH]c(C)c(S(N)(=O)=O)c1C
|
COC=O)C[C@H]CCCN5C=O)c[nH]cC)cSN)=O)=O))c5C
|
[C][O][C][=Branch1][C][=O][C][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=Ring1][#Branch2][C]
|
c14[nH]c(C)c(S(N)(=O)=O)c1C.[C@H]15CCCN13.C2(=O)C5.C34=O.CO2
|
Cc1oc(CNC(=O)c2cc(C3CC3)on2)nc1C(=O)NCCC1CC1
|
CcocCNC=O)cccCCC3)))on5))))))))nc5C=O)NCCCCC3
|
[C][C][O][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][N][=Ring1][Branch2][=N][C][=Ring1][P][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Ring1]
|
Cc1oc%10nc19.c18cc%12on1.C48=O.C1%12CC1.C59=O.C7C%11.C1%11CC1.C6%10.N46.N57
|
Cc1noc(C(=O)N2C[C@H](N(C)C(=O)[C@@H]3CCC(=O)C3)C(C)(C)C2)c1C(F)(F)F
|
CcnocC=O)NC[C@H]NC)C=O)[C@@H]CCC=O)C5)))))))CC)C)C5))))))c5CF)F)F
|
[C][C][=N][O][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring1][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][P][=C][Ring2][Ring1][Branch2][C][Branch1][C][F][Branch1][C][F][F]
|
N14C[C@H]6C(C)(C)C1.Cc1noc7c19.[C@@H]18CCC(=O)C1.C9(F)(F)F.C47=O.N56C.C58=O
|
C=C1Cn2c(nnc2C(=O)N[C@@H]2COC[C@@H]2NC(=O)C=CCN(C)CC)S1
|
C=CCncnnc5C=O)N[C@@H]COC[C@@H]5NC=O)C=CCNC)CC))))))))))))))))))S5
|
[C][=C][C][N][C][=Branch2][Ring1][S][=N][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][C][O][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][N][Branch1][C][C][C][C][S][Ring2][Ring1][#Branch2]
|
C=C1Cn2c9nnc2S1.[C@@H]17COC[C@@H]18.C4(=O)C=%10.C39=O.C=%10C5.N56C.N37.N48.C6C
|
COCc1nocc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)SC
|
COCcnocc5C=O)NCC[C@H]CC[C@@H]C7)N5C=O)CC)C)SC
|
[C][O][C][C][=N][O][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][S][C]
|
C17C[C@H]2CC[C@@H](C1)N24.c19nocc18.C4(=O)C6(C)C.C38=O.CO5.C59.N37.S6C
|
CC1CCC(C(=O)N[C@H](C)CCCCNC(=O)c2cnn3ncccc23)CC1
|
CCCCCC=O)N[C@H]C)CCCCNC=O)ccnnncccc96))))))))))))))))))CC6
|
[C][C][C][C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][=N][N][N][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][O]
|
c19cnn2ncccc12.CC1CCC8CC1.[C@@H]6(C)CCCC7.C48=O.C59=O.N46.N57
|
Cc1ncc(Cl)c(C(=O)N(CCNC(=O)c2ccc3nn(C)cc3c2)C2CC2)n1
|
CcnccCl)cC=O)NCCNC=O)ccccnnC)cc5c9)))))))))))))CCC3)))))n6
|
[C][C][=N][C][=C][Branch1][C][Cl][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Ring1][#Branch2][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][N]
|
c1%10ccc2nn(C)cc2c1.Cc1ncc(Cl)c9n1.C49=O.N468.C6C7.C5%10=O.C18CC1.N57
|
O=C(CCN(C(=O)c1cnn(CCF)c1)C1CC1)NC1CC2(CCCC2)C1
|
O=CCCNC=O)ccnnCCF)))c5))))))CCC3))))))NCCCCCCC5))))C4
|
[O][=C][Branch2][Ring1][O][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=N][N][Branch1][Ring2][C][C][F][C][=Ring1][Branch2][C][C][C][Ring1][Ring1][N][C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][Branch2]
|
C17CC2(CCCC2)C1.c18cnn9c1.O=C3CC5.N456.C48=O.C9CF.C16CC1.N37
|
C=CCCC(F)(F)C(=O)N1CC[C@H]2[C@@H](C1)CN2C(=O)Cn1cnc(C(N)=O)n1
|
C=CCCCF)F)C=O)NCC[C@H][C@@H]C6)CN4C=O)CncncCN)=O))n5
|
[C][=C][C][C][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][C][C][C@H1][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][Ring1][Branch2]
|
C=CCCC(F)(F)C3=O.N13CC[C@H]2[C@@H](C1)CN24.n16cnc5n1.C4(=O)C6.C5(N)=O
|
O=C(Nc1cccc2ccccc12)N[C@H]1CCN(C(=O)C23CCC(CC2)N3)C1
|
O=CNcccccccccc%106)))))))))))N[C@H]CCNC=O)CCCCCC6))N5))))))C5
|
[O][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][Ring1][#Branch1][C][Ring1][=C]
|
c17cccc2ccccc12.C129CCC(CC1)N2.[C@H]18CCN6C1.O=C45.C69=O.N47.N58
|
COC(=O)c1ccc(OCCCNC(=O)N[C@H](C)c2c(F)cccc2Cl)cc1
|
COC=O)ccccOCCCNC=O)N[C@H]C)ccF)cccc6Cl)))))))))))))))cc6
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][O][C][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][Branch2]
|
c1%11c(F)cccc1Cl.c1%10ccc7cc1.C6CC8.C3%10=O.C45=O.[C@H]9%11C.CO3.O67.N48.N59
|
CC#CC[C@@H](NC(=O)c1cc(C#N)n(C)n1)C(=O)N[C@@H](CCO)C1CCC1
|
CC#CC[C@@H]NC=O)cccC#N))nC)n5)))))))C=O)N[C@@H]CCO)))CCCC4
|
[C][C][#C][C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][Branch1][Ring1][C][#N][N][Branch1][C][C][N][=Ring1][Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][O][C][C][C][C][Ring1][Ring2]
|
CC#CC[C@@H]4C3=O.c16cc(C#N)n(C)n1.[C@@H]57CCO.C17CCC1.C26=O.N24.N35
|
CCN(CCCNC(=O)[C@H]1CN2CCC[C@H]1CC2)C(=O)Cc1ccco1
|
CCNCCCNC=O)[C@H]CNCCC[C@H]7CC7))))))))))))))C=O)Ccccco5
|
[C][C][N][Branch2][Ring1][=Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][C][N][C][C][C][C@H1][Ring1][#Branch1][C][C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][O][Ring1][Branch1]
|
[C@H]18CN2CCC[C@H]1CC2.c19ccco1.C6CC7.C4(=O)C9.N456.C38=O.CC5.N37
|
CC1(C)C[C@@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1(C)C
|
CCC)C[C@@H]3C=O)N[C@@H]CCNC=O)[C@@]F)CCOC5))))))C5C)C
|
[C][C][Branch1][C][C][C][C@@H1][Ring1][Ring2][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@@][Branch1][C][F][C][C][O][C][Ring1][=Branch1][C][Ring1][=N][Branch1][C][C][C]
|
[C@@H]15CCN4C1(C)C.[C@]17(F)CCOC1.CC1(C)C[C@@H]16.C36=O.C47=O.N35
|
O=C(CCc1cscn1)N[C@@H]1C[C@H]1C1CCN(C(=O)c2ccc(CO)nc2)CC1
|
O=CCCccscn5)))))))N[C@@H]C[C@H]3CCCNC=O)ccccCO))nc6)))))))CC6
|
[O][=C][Branch1][#Branch2][C][C][C][=C][S][C][=N][Ring1][Branch1][N][C@@H1][C][C@H1][Ring1][Ring1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][O][N][=C][Ring1][Branch2][C][C][Ring1][S]
|
[C@@H]15C[C@H]1C1CCN4CC1.c16ccc8nc1.O=C3CC7.c17cscn1.C46=O.N35.C8O
|
C=C(F)C1(CC(=O)N2C[C@H](O)C[C@@]2(C)C(=O)N2CC[C@@](O)(CO)C2)CCC1
|
C=CF)CCC=O)NC[C@H]O)C[C@@]5C)C=O)NCC[C@@]O)CO))C5)))))))))))))CCC4
|
[C][=C][Branch1][C][F][C][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@@][Ring1][=Branch1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C@@][Branch1][C][O][Branch1][Ring1][C][O][C][Ring1][Branch2][C][C][C][Ring2][Ring1][Branch2]
|
N13C[C@H](O)C[C@]15C.C=C(F)C16CCC1.N14CC[C@]7(O)C1.C6C3=O.C45=O.C7O
|
NC(=O)C1(C(=O)NC[C@H]2CC3(CO2)CN(C(=O)C2C[C@H]4COC[C@@H]4C2)C3)CCC1
|
NC=O)CC=O)NC[C@H]CCCO5))CNC=O)CC[C@H]COC[C@@H]5C8)))))))))C4)))))))))CCC4
|
[N][C][=Branch1][C][=O][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][Branch1][Branch1][C][O][Ring1][Branch1][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C@H1][C][O][C][C@@H1][Ring1][Branch1][C][Ring1][Branch2][C][Ring1][S][C][C][C][Ring2][Ring1][#Branch2]
|
[C@H]1%11CC2(CO1)CN6C2.C1%10C[C@H]2COC[C@@H]2C1.C189CCC1.NC8=O.C59=O.C6%10=O.N57.C7%11
|
C[C@H](F)CC(=O)NC1CCC2(CC1)CN(C(=O)CC(C)(C)C1CC1)C2
|
C[C@H]F)CC=O)NCCCCCC6))CNC=O)CCC)C)CCC3))))))C4
|
[C][C@H1][Branch1][C][F][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][Ring1][C][Ring1][#C]
|
C15CCC2(CC1)CN4C2.C4(=O)CC6(C)C.C[C@H](F)CC3=O.C16CC1.N35
|
C#CC[C@@H](C)C(=O)N1CC[C@H]2CCN(C(=O)c3ccc4c(c3)CCCO4)[C@H]2C1
|
C#CC[C@@H]C)C=O)NCC[C@H]CCNC=O)cccccc6)CCCO6))))))))))[C@H]5C9
|
[C][#C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C@H1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][O][Ring1][#Branch1][C@H1][Ring1][P][C][Ring2][Ring1][Branch1]
|
N15CC[C@H]2CCN6[C@H]2C1.c17ccc2c(c1)CCCO2.C#CC[C@@H](C)C5=O.C67=O
|
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