SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
Cc1ccncc1C(C)(C)C(=O)NCCCN(C(=O)[C@H]1C[C@@]1(C)C(F)F)C(C)C
|
Ccccncc6CC)C)C=O)NCCCNC=O)[C@H]C[C@@]3C)CF)F))))))CC)C
|
[C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][C][C@@][Ring1][Ring1][Branch1][C][C][C][Branch1][C][F][F][C][Branch1][C][C][C]
|
Cc1ccncc19.C9(C)(C)C2=O.[C@H]17C[C@]18C.C4CC5.N356.C37=O.C8(F)F.C6(C)C.N24
|
C=C[C@@H](C(=O)NC[C@@H]1CCCC(F)(F)C1)N1CCCN(C(=O)OC(C)(C)C)CC1
|
C=C[C@@H]C=O)NC[C@@H]CCCCF)F)C6)))))))))NCCCNC=O)OCC)C)C))))CC7
|
[C][=C][C@@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][Branch2][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C]
|
[C@@H]18CCCC(F)(F)C1.N16CCCN4CC1.C=C[C@H]6C3=O.C5(C)(C)C.C24=O.N37.C78.O25
|
CC#CC[C@H](NC(=O)CN=c1cc[nH]cc1)C(=O)N[C@]1(CO)C[C@H](OC)C1
|
CC#CC[C@H]NC=O)CN=ccc[nH]cc6))))))))))C=O)N[C@]CO))C[C@H]OC))C4
|
[C][C][#C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][N][=C][C][=C][NH1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@][Branch1][Ring1][C][O][C][C@H1][Branch1][Ring1][O][C][C][Ring1][Branch2]
|
C2(=O)CN=c1cc[nH]cc1.CC#CC[C@H]5C3=O.[C@]167C[C@@H]4C1.N25.N36.C7O.O4C
|
Cc1coc(C)c1C(=O)N1CC(CNC(=O)c2ccc3c(c2)ncn3C(C)C)C1
|
CccocC)c5C=O)NCCCNC=O)cccccc6)ncn5CC)C)))))))))))))C4
|
[C][C][=C][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][Ring2]
|
c18ccc2c(c1)ncn29.Cc1coc(C)c17.N14CC%10C1.C47=O.C58=O.C9(C)C.C6%10.N56
|
Cc1cn2c(CC(=O)NCC(C)(C)CCNC(=O)C(C)(Cl)Cl)csc2n1
|
CccncCC=O)NCCC)C)CCNC=O)CC)Cl)Cl)))))))))))csc5n8
|
[C][C][=C][N][C][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][Cl][Cl][=C][S][C][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2]
|
Cc1cn2c7csc2n1.C5C(C)(C)CC6.C4(=O)C(C)(Cl)Cl.C7C3=O.N35.N46
|
CCn1nccc1C(=O)N1CCC([C@@H](C)C(=O)NC[C@@H](O)C(F)(F)F)CC1
|
CCnnccc5C=O)NCCC[C@@H]C)C=O)NC[C@@H]O)CF)F)F)))))))CC6
|
[C][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch1][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring2][Ring1][C]
|
N12CCC7CC1.C4[C@@H](O)C(F)(F)F.n16nccc15.[C@H]7(C)C3=O.C25=O.CC6.N34
|
CCN(C(=O)c1cnc(C2CC2)o1)[C@H](C)CNC(=O)c1nc2n(c1Cl)CCCC2
|
CCNC=O)ccncCCC3)))o5))))))[C@H]C)CNC=O)cncnc5Cl))CCCC6
|
[C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][=C][N][Branch1][Branch1][C][=Ring1][Branch1][Cl][C][C][C][C][Ring1][Branch2]
|
c19nc2n(c1Cl)CCCC2.c18cnc%10o1.[C@@H]6(C)C7.N356.C38=O.C1%10CC1.C49=O.CC5.N47
|
CC1(NC(=O)C2(C)CN(C(=O)[C@@H]3CC=CCC3)C2)CCC2(CC2)CC1
|
CCNC=O)CC)CNC=O)[C@@H]CC=CCC6)))))))C4))))))CCCCC3))CC6
|
[C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C@@H1][C][C][=C][C][C][Ring1][=Branch1][C][Ring1][=N][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][C][Ring2][Ring1][Branch2]
|
CC16CCC2(CC1)CC2.C17(C)CN5C1.[C@@H]18CC=CCC1.C47=O.C58=O.N46
|
CC[C@H](CCC(=O)N(C)Cc1occc1C)NC(=O)/C=C/C(C)(C)C
|
CC[C@H]CCC=O)NC)Ccoccc5C)))))))))))NC=O)/C=C/CC)C)C
|
[C][C][C@H1][Branch2][Ring1][Ring2][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][O][C][=C][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][/C][=C][/C][Branch1][C][C][Branch1][C][C][C]
|
CC[C@@H]4CCC2=O.c17occc1C.C=6C(C)(C)C.C3(=O)C=6.N25C.C57.N34
|
CC(C)c1conc1CC(=O)NC[C@H](CO)CNC(=O)C(=O)N1CCC[C@@H](C)C1
|
CCC)cconc5CC=O)NC[C@H]CO))CNC=O)C=O)NCCC[C@@H]C)C6
|
[C][C][Branch1][C][C][C][=C][O][N][=C][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][Ring1][C][O][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][C][C][C][Ring1][#Branch1]
|
N14CCC[C@@H](C)C1.c18conc17.C5[C@@H](C6)CO.C3(=O)C4=O.C7C2=O.CC8C.N25.N36
|
CC[C@@H]1CN(C)CCCN1N1CCC(CC)(C(=O)OC)CC1
|
CC[C@@H]CNC)CCCN7NCCCCC))C=O)OC)))CC6
|
[C][C][C@@H1][C][N][Branch1][C][C][C][C][C][N][Ring1][Branch2][N][C][C][C][Branch1][Ring1][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][N]
|
[C@@H]14CN(C)CCCN1N1CCC35CC1.C23=O.CC4.C5C.O2C
|
CCn1nc(C)c2cc(C(=O)NCCN(C)C(=O)CCn3cccnc3=O)sc21
|
CCnncC)cccC=O)NCCNC)C=O)CCncccnc6=O)))))))))))))))sc58
|
[C][C][N][N][=C][Branch1][C][C][C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][N][C][=C][C][=N][C][Ring1][=Branch1][=O][S][C][=Ring2][Ring1][#Branch1][Ring2][Ring1][O]
|
n19nc(C)c2cc8sc21.n1%10cccnc1=O.C5(=O)CC%10.C48=O.C6C7.N57C.CC9.N46
|
C[C@H]1CN(C(=O)COC2(C)CN(C(=O)c3cc(O)ccc3F)C2)CC[S@+]1[O-]
|
C[C@H]CNC=O)COCC)CNC=O)cccO)ccc6F))))))))C4)))))))CC[S@+]6[O-]
|
[C][C@H1][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C][O][C][Branch1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][F][C][Ring1][#C][C][C][S@+1][Ring2][Ring1][=Branch2][O-1]
|
C[C@H]1CN4CC[S@+]1[O-].c18cc(O)ccc1F.C17(C)CN5C1.C4(=O)C6.C58=O.O67
|
C[C@@H](C#N)CCC(=O)NC[C@@H](CO)CNC(=O)/C=C/c1cccc(C(F)(F)F)c1
|
C[C@@H]C#N))CCC=O)NC[C@@H]CO))CNC=O)/C=C/cccccCF)F)F))c6
|
[C][C@@H1][Branch1][Ring1][C][#N][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][Ring1][C][O][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
|
C[C@@H](C#N)CCC2=O.C=6c1cccc7c1.C4[C@H](C5)CO.C3(=O)C=6.C7(F)(F)F.N24.N35
|
COCc1c(C(=O)N[C@H]2CCCN(C(=O)C[C@]34CCC[C@H]3C4)C2)cnn1C
|
COCccC=O)N[C@H]CCCNC=O)C[C@]CCC[C@H]5C6))))))))C6))))))))cnn5C
|
[C][O][C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@H1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C@][C][C][C][C@H1][Ring1][Branch1][C][Ring1][=Branch1][C][Ring1][#C][C][=N][N][Ring2][Ring1][#Branch1][C]
|
c1%10c9cnn1C.[C@H]18CCCN6C1.[C@]12%11CCC[C@H]1C2.C6(=O)C%11.C59=O.CO7.C7%10.N58
|
CCC1(C#CC(=O)N2CC(CNC(=O)c3ccsc3)(C(N)=O)C2)CC1
|
CCCC#CC=O)NCCCNC=O)cccsc5))))))))CN)=O))C4)))))))CC3
|
[C][C][C][Branch2][Ring2][Ring1][C][#C][C][=Branch1][C][=O][N][C][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][S][C][C][Ring2][Ring1][#Branch1]
|
C19(C#CC4=O)CC1.N14CC7%10C1.c18ccsc1.C58=O.C7(N)=O.CC9.C6%10.N56
|
C[C@H](CC(=O)N1CCN(C)C[C@H]1C)N(C)C(=O)c1coc(N(C)C)n1
|
C[C@H]CC=O)NCCNC)C[C@H]6C)))))))))NC)C=O)ccocNC)C))n5
|
[C][C@H1][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C@H1][Ring1][#Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][O][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][Branch2]
|
N12CCN(C)C[C@H]1C.C[C@@H]4CC2=O.c16coc5n1.N34C.C36=O.N5(C)C
|
COC(=O)[C@@H]1CN(N2CCC[C@@H]2CC(C)C)C[C@H]1c1cccc(Br)c1
|
COC=O)[C@@H]CNNCCC[C@@H]5CCC)C))))))))C[C@H]5cccccBr)c6
|
[C][O][C][=Branch1][C][=O][C@@H1][C][N][Branch1][=C][N][C][C][C][C@@H1][Ring1][Branch1][C][C][Branch1][C][C][C][C][C@H1][Ring1][=C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]
|
[C@@H]14CN(N2CCC[C@@H]25)C[C@H]16.c16cccc(Br)c1.C5C(C)C.C34=O.CO3
|
N=c1[nH]c(C(=O)N2CC[C@@H](CCNC(=O)c3n[nH]cc3Br)C2)cs1
|
N=c[nH]cC=O)NCC[C@@H]CCNC=O)cn[nH]cc5Br))))))))))C5))))))cs5
|
[N][=C][NH1][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][S][C][C][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][Br][C][Ring1][S][=C][S][Ring2][Ring1][#Branch1]
|
N=c1[nH]c7cs1.N14CC[C@@H]9C1.c18n[nH]cc1Br.C47=O.C9C6.C58=O.N56
|
CN1CCN(C(=O)C(=O)N2CC=C(F)C2)C[C@H]1C1COC1
|
CNCCNC=O)C=O)NCC=CF)C5)))))))C[C@H]6CCOC4
|
[C][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][F][C][Ring1][=Branch1][C][C@H1][Ring1][S][C][C][O][C][Ring1][Ring2]
|
CN1CCN3C[C@H]15.N14CC=C(F)C1.C3(=O)C4=O.C15COC1
|
CC(C)(C)/C=C/C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCN(C4CCCCC4)C3)C[C@@H]21
|
CCC)C)/C=C/C=O)NC[C@@H]CCNC=O)[C@@H]CCNCCCCCC6))))))C5))))))C[C@@H]68
|
[C][C][Branch1][C][C][Branch1][C][C][/C][=C][/C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][O][C][C@@H1][Ring2][Ring1][Ring1][Ring2][Ring1][Branch1]
|
N15C[C@@H]2CCN6C[C@@H]21.[C@@H]18CCN7C1.C17CCCCC1.CC(C)(C)C=9.C=9C5=O.C68=O
|
CCN(C[C@@H](C)NC(=O)c1cc2n(n1)C[C@H](F)C2)C(=O)c1cc(C)ccc1C
|
CCNC[C@@H]C)NC=O)cccnn5)C[C@H]F)C5)))))))))))C=O)cccC)ccc6C
|
[C][C][N][Branch2][Ring1][N][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C@H1][Branch1][C][F][C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C]
|
c18cc2n(n1)C[C@H](F)C2.c19cc(C)ccc1C.C6[C@H]7C.N456.C38=O.C49=O.CC5.N37
|
C[C@H](C(=O)NCCCCC#N)n1cc(-c2ccccc2Cl)nn1
|
C[C@H]C=O)NCCCCC#N))))))))ncc-cccccc6Cl)))))))nn5
|
[C][C@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][#N][N][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=N][Ring1][N]
|
c16ccccc1Cl.C4CCCC#N.n15cc6nn1.C[C@@H]5C3=O.N34
|
CC[C@H]1CCO[C@H]1C(=O)N1CC[C@H](CCC(=O)NCCOCCO)C1
|
CC[C@H]CCO[C@H]5C=O)NCC[C@H]CCC=O)NCCOCCO))))))))))C5
|
[C][C][C@H1][C][C][O][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][=C][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][Ring1][S]
|
[C@H]18CCO[C@H]17.N12CC[C@H]9C1.C9CC3=O.C27=O.C6C4.C5CO.CC8.N36.O45
|
CC[C@@H]1CCN(C(=O)c2cncc(SC)c2)[C@H]1CNC(=O)C[C@@H]1CCSC1
|
CC[C@@H]CCNC=O)ccnccSC))c6)))))))[C@H]5CNC=O)C[C@@H]CCSC5
|
[C][C][C@@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][Ring1][S][C][=C][Ring1][Branch2][C@H1][Ring1][#C][C][N][C][=Branch1][C][=O][C][C@@H1][C][C][S][C][Ring1][Branch1]
|
[C@@H]18CCN3[C@H]17.c16cncc%10c1.[C@@H]19CCSC1.C4(=O)C9.C36=O.CC8.S%10C.C57.N45
|
O=C(c1[nH]nnc1C1CC1)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CC2(C1)CC2(F)F
|
O=Cc[nH]nnc5CCC3))))))))NCC[C@H][C@@H]C6)[C@@H]3C=O)NCCC4)CC3F)F
|
[O][=C][Branch1][=N][C][NH1][N][=N][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][N][C][C][C@H1][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C@@H1][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Ring1][Ring2][Branch1][C][F][F]
|
N13CC[C@@H]2[C@@H]6[C@@H]2C1.N14CC2(C1)CC2(F)F.c15[nH]nnc17.O=C35.C17CC1.C46=O
|
CCCc1n[nH]cc1C(=O)N[C@@H](CC1CCCC1)C(=O)N1CCC(C)(CO)CC1
|
CCCcn[nH]cc5C=O)N[C@@H]CCCCCC5))))))C=O)NCCCC)CO))CC6
|
[C][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][Ring1][C][O][C][C][Ring1][=Branch2]
|
N13CCC8(C)CC1.c16n[nH]cc15.[C@H]4(C7)C3=O.C17CCCC1.CCC6.C25=O.N24.C8O
|
Cc1cc(O)c(Cl)cc1C(=O)N(C)CCN(C)C(=O)[C@@H](C)N1CCOCC1
|
CcccO)cCl)cc6C=O)NC)CCNC)C=O)[C@@H]C)NCCOCC6
|
[C][C][=C][C][Branch1][C][O][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][C][O][C][C][Ring1][=Branch1]
|
Cc1cc(O)c(Cl)cc17.N16CCOCC1.C3(=O)[C@H]6C.C27=O.N24C.C4C5.N35C
|
C[C@@H](C(=O)N(C1CC1)[C@H](C(=O)O)[C@@H](C)O)c1ccc(C#N)cc1
|
C[C@@H]C=O)NCCC3)))[C@H]C=O)O))[C@@H]C)O)))))ccccC#N))cc6
|
[C][C@@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]
|
c15ccc(C#N)cc1.[C@@H]3(C(=O)O)[C@@H](C)O.C[C@H]5C2=O.N234.C14CC1
|
CCN(C(=O)C1CC2(C1)CC(C)(C)C2)[C@H]1CCCN(C(=O)c2cc(C)c[nH]2)C1
|
CCNC=O)CCCC4)CCC)C)C4)))))))[C@H]CCCNC=O)cccC)c[nH]5))))))C6
|
[C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][C@H1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][NH1][Ring1][=Branch1][C][Ring1][=C]
|
C18CC2(C1)CC(C)(C)C2.[C@H]16CCCN4C1.c17cc(C)c[nH]1.N356.C38=O.C47=O.CC5
|
CCOC(=O)C1=C(C(C)C)N(c2ccc(C)cc2)C(=S)N[C@H]1c1ccncc1N
|
CCOC=O)C=CCC)C))NccccC)cc6))))))C=S)N[C@H]6cccncc6N
|
[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=S][N][C@H1][Ring1][P][C][=C][C][=N][C][=C][Ring1][=Branch1][N]
|
C3(=O)C1=C(C(C)C)N5C(=S)N[C@H]16.c15ccc(C)cc1.c16ccncc1N.CC4.O34
|
C#CCCN(C)CC(=O)N(C(=O)c1cnc(N(C)C)c(I)c1)C1CC1
|
C#CCCNC)CC=O)NC=O)ccncNC)C))cI)c6)))))))CCC3
|
[C][#C][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][Branch1][C][I][=C][Ring1][#Branch2][C][C][C][Ring1][Ring1]
|
c18cnc6c(I)c1.C#CCC4.C5C2=O.N45C.N237.C38=O.N6(C)C.C17CC1
|
COCC[C@@H]1CCN([C@H](C(=O)Nc2c(C)cccc2C)c2ncccc2C)C1
|
COCC[C@@H]CCN[C@H]C=O)NccC)cccc6C)))))))))cncccc6C))))))))C5
|
[C][O][C][C][C@@H1][C][C][N][Branch2][Ring1][#C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2]
|
c16c(C)cccc1C.c17ncccc1C.[C@@H]18CCN5C1.[C@H]57C3=O.C4C8.CO4.N36
|
Cc1c(Cl)cccc1OCC(=O)N1CC[C@](C)(NC(=O)c2ccn(C)c2C)C1
|
CccCl)cccc6OCC=O)NCC[C@]C)NC=O)cccnC)c5C))))))))C5
|
[C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][Ring1][S]
|
Cc1c6cccc1Cl.N13CC[C@@]7(C)C1.c18ccn(C)c1C.C5C3=O.C48=O.O56.N47
|
N#Cc1ccccc1CNCC[C@H]1CCCCC12OCCO2
|
N#Ccccccc6CNCC[C@H]CCCCC6OCCO5
|
[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C@H1][C][C][C][C][C][Ring1][=Branch1][O][C][C][O][Ring1][Branch1]
|
[C@H]15CCCCC12OCCO2.N#Cc1ccccc16.C4C5.C36.N34
|
CC[C@H](C)N(C)C(=O)C[C@@H]1CCN(C(=O)c2ncncc2OC)C1
|
CC[C@H]C)NC)C=O)C[C@@H]CCNC=O)cncncc6OC)))))))))C5
|
[C][C][C@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C@@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=N][C][=N][C][=C][Ring1][=Branch1][O][C][C][Ring1][#C]
|
c17ncncc15.[C@@H]18CCN4C1.CC[C@@H]6C.C3(=O)C8.N36C.C47=O.O5C
|
CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(C3CN(C(=O)[C@H]4CCO4)C3)C2)o1
|
CNC)S=O)=O)ccccC=O)NCCCCNC=O)[C@H]CCO4)))))C4))))C4)))))o5
|
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring1][C][C][N][Branch1][O][C][=Branch1][C][=O][C@H1][C][C][O][Ring1][Ring2][C][Ring1][#Branch2][C][Ring1][=C][O][Ring2][Ring1][Branch1]
|
S7(=O)(=O)c1ccc9o1.N15CC(C2CN6C2)C1.[C@H]18CCO1.CN7C.C59=O.C68=O
|
CN(C(=O)C[C@@H]1CCOC(C)(C)C1)C1CCN(C(=O)CC2(C3CC3)CC2)CC1
|
CNC=O)C[C@@H]CCOCC)C)C6))))))))CCCNC=O)CCCCC3)))CC3)))))CC6
|
[C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C@@H1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=Branch1][C][C][Ring1][#C]
|
[C@@H]17CCOC(C)(C)C1.C16CCN5CC1.C18(C2CC2)CC1.C4(=O)C7.C5(=O)C8.CN46
|
CSc1cc(C(=O)N2CC3(CO[C@@H](CNC(=O)C(C)(C)C(F)F)C3)C2)ccc1N
|
CScccC=O)NCCCO[C@@H]CNC=O)CC)C)CF)F))))))C5))))C4)))))ccc6N
|
[C][S][C][=C][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][N][C][O][C@@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][F][F][C][Ring1][#C][C][Ring2][Ring1][C][=C][C][=C][Ring2][Ring1][#Branch2][N]
|
N14CC2(CO[C@@H]8C2)C1.c19cc7ccc1N.C5(=O)C(C)(C)C(F)F.C47=O.CS9.C68.N56
|
O=C(N[C@H]1C[C@H](NCc2c(C(F)(F)F)ccc(Cl)c2Cl)C1)c1cc2ccoc2s1
|
O=CN[C@H]C[C@H]NCccCF)F)F))cccCl)c6Cl)))))))))C4)))))cccccoc5s8
|
[O][=C][Branch2][Ring2][Ring2][N][C@H1][C][C@H1][Branch2][Ring1][=Branch2][N][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Branch1][C][Cl][=C][Ring1][O][Cl][C][Ring2][Ring1][C][C][=C][C][C][=C][O][C][=Ring1][Branch1][S][Ring1][Branch2]
|
c18c9ccc(Cl)c1Cl.c17cc2ccoc2s1.[C@H]15C[C@H]6C1.C9(F)(F)F.O=C37.N35.N46.C48
|
COC(=O)[C@@H](C)OCc1cn([C@@H]2CON(C(=O)[C@H](C)N3CCSCC3)C2)nn1
|
COC=O)[C@@H]C)OCccn[C@@H]CONC=O)[C@H]C)NCCSCC6))))))))C5)))))nn5
|
[C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][C][O][C][C][=C][N][Branch2][Ring1][#Branch2][C@@H1][C][O][N][Branch1][P][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][C][S][C][C][Ring1][=Branch1][C][Ring1][#C][N][=N][Ring2][Ring1][Ring2]
|
[C@@H]19CON(C(=O)[C@@H]7C)C1.c18cn9nn1.N17CCSCC1.C4(=O)[C@H]5C.CO4.O56.C68
|
Cc1c(C(F)(F)F)n[nH]c1C(=O)N[C@H]1C[C@H](NC(=O)[C@@]23CC[C@@H](C2)[C@@H](C)O3)C1
|
CccCF)F)F))n[nH]c5C=O)N[C@H]C[C@H]NC=O)[C@@]CC[C@@H]C5)[C@@H]C)O6))))))))C4
|
[C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][NH1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C@@H1][Branch1][C][C][O][Ring1][Branch2][C][Ring1][#C]
|
[C@@]128CC[C@@H](C1)[C@@H](C)O2.Cc1c%10n[nH]c19.[C@H]16C[C@H]7C1.C%10(F)(F)F.C49=O.C58=O.N46.N57
|
CSc1ncc(C(=O)NC[C@@H]2COCCN(C(=O)C(C)(C)c3ccsc3)C2)s1
|
CScnccC=O)NC[C@@H]COCCNC=O)CC)C)cccsc5)))))))C7))))))))))s5
|
[C][S][C][=N][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][O][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][P][S][Ring2][Ring1][#Branch2]
|
[C@@H]18COCCN5C1.c1%10ncc7s1.C5(=O)C9(C)C.c19ccsc1.C47=O.CS%10.N46.C68
|
C#CCCC(=O)N1CCC[C@@]12CCN(C(=O)Cc1cc(F)ccc1O)C2
|
C#CCCC=O)NCCC[C@@]5CCNC=O)CcccF)ccc6O)))))))))C5
|
[C][#C][C][C][C][=Branch1][C][=O][N][C][C][C][C@@][Ring1][Branch1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][Ring1][S]
|
N13CCC[C@@]12CCN4C2.c15cc(F)ccc1O.C#CCCC3=O.C4(=O)C5
|
CS(=O)(=O)c1sccc1C(=O)N1CC(O)(c2cn(C[C@@H]3CC(F)(F)CO3)nn2)C1
|
CS=O)=O)csccc5C=O)NCCO)ccnC[C@@H]CCF)F)CO5))))))nn5)))))C4
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch2][Ring1][Branch2][C][=C][N][Branch1][#C][C][C@@H1][C][C][Branch1][C][F][Branch1][C][F][C][O][Ring1][#Branch1][N][=N][Ring1][=N][C][Ring2][Ring1][C]
|
CS(=O)(=O)c1sccc15.[C@@H]17CC(F)(F)CO1.N14CC8(O)C1.c18cn6nn1.C45=O.C67
|
Cc1nc(C(C)C)sc1C(=O)NC1CC(N(C)C(=O)c2cccc(N)c2)C1
|
CcncCC)C))sc5C=O)NCCCNC)C=O)cccccN)c6))))))))C4
|
[C][C][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][S][C][=Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][Ring1][#C]
|
Cc1nc9sc17.c18cccc(N)c1.C15CC6C1.C9(C)C.C37=O.N46C.C48=O.N35
|
CN(CCCOCCNC(=O)[C@@H]1C[C@@H]2CC[C@H]1C2)C(=O)CCc1csc(=N)[nH]1
|
CNCCCOCCNC=O)[C@@H]C[C@@H]CC[C@H]6C5)))))))))))))))C=O)CCccsc=N)[nH]5
|
[C][N][Branch2][Ring1][#Branch1][C][C][C][O][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][C][C@H1][Ring1][=Branch1][C][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][=C][S][C][=Branch1][C][=N][NH1][Ring1][=Branch1]
|
[C@@H]19C[C@@H]2CC[C@H]1C2.c1%10csc(=N)[nH]1.C4(=O)CC%10.C7CC5.CN47.C6C8.C39=O.O56.N38
|
CC[C@H]1CCCN(C(=O)[C@@H](C)Cn2ccnc2)[C@H]1C(=O)N1CCOC(C)(C)[C@H]1C
|
CC[C@H]CCCNC=O)[C@@H]C)Cnccnc5))))))))[C@H]6C=O)NCCOCC)C)[C@H]6C
|
[C][C][C@H1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C@H1][Ring1][S][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C@H1][Ring1][Branch2][C]
|
N14CCOC(C)(C)[C@H]1C.[C@H]17CCCN3[C@H]15.C3(=O)[C@@H](C)C6.n16ccnc1.C45=O.CC7
|
COc1nccc(C(=O)N2[C@@H](C(=O)Nc3nccc(C)c3Br)C[C@H]3C[C@@H]32)c1Cl
|
COcncccC=O)N[C@@H]C=O)NcncccC)c6Br)))))))))C[C@H]C[C@@H]36)))))))c6Cl
|
[C][O][C][=N][C][=C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][Br][C][C@H1][C][C@@H1][Ring1][Ring1][Ring1][P][=C][Ring2][Ring1][=Branch2][Cl]
|
c16nccc9c1Cl.c17nccc(C)c1Br.N14[C@@H]8C[C@H]2C[C@@H]21.C49=O.C58=O.CO6.N57
|
CC(C)(CC(=O)N1CCC[C@H]1CC(=O)N[C@@H]1CCCCCC[C@H]1O)C(F)F
|
CCC)CC=O)NCCC[C@H]5CC=O)N[C@@H]CCCCCC[C@H]8O)))))))))))))))))))CF)F
|
[C][C][Branch1][C][C][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][C][C][C@H1][Ring1][Branch2][O][C][Branch1][C][F][F]
|
CC(C)(CC2=O)C(F)F.[C@@H]14CCCCCC[C@H]1O.N12CCC[C@H]15.C5C3=O.N34
|
CC(C)C[C@@H](CNC(=O)c1cnn2c(C(C)(C)C)ccnc12)NC(=O)C[C@H](C)O
|
CCC)C[C@@H]CNC=O)ccnncCC)C)C))ccnc96))))))))))))NC=O)C[C@H]C)O
|
[C][C][Branch1][C][C][C][C@@H1][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=N][C][=Ring1][=N][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][O]
|
c17cnn2c8ccnc12.CC(C)C[C@H]5C6.C4(=O)C[C@H](C)O.C8(C)(C)C.C37=O.N36.N45
|
C=CC[C@@H](CC)C(=O)NCC[C@H](OC)C(=O)N1CC[C@H](COC(C)=O)C1
|
C=CC[C@@H]CC))C=O)NCC[C@H]OC))C=O)NCC[C@H]COCC)=O))))C5
|
[C][=C][C][C@@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C][Ring1][#Branch2]
|
C=CC[C@@H](CC)C3=O.C7C[C@H]5C4=O.N14CC[C@H]8C1.C2(C)=O.N37.O5C.C68.O26
|
CC=CC(=O)NC12CC(CNC(=O)c3cnn4cc(OC)ccc34)(C1)OC2(C)C
|
CC=CC=O)NCCCCNC=O)ccnnccOC))ccc96))))))))))))C4)OC5C)C
|
[C][C][=C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][C][=N][N][C][=C][Branch1][Ring1][O][C][C][=C][C][=Ring1][O][Ring1][Branch2][Branch1][Branch1][C][Ring2][Ring1][Ring1][O][C][Ring2][Ring1][Branch1][Branch1][C][C][C]
|
c1%10cnn2cc7ccc12.C129CC%12(C1)OC2(C)C.C=%11C5=O.C6%10=O.CC=%11.N59.C8%12.N68.O7C
|
O=C(C#CC1CCCC1)NCC1(F)CCN(C(=O)[C@H]2CS(=O)(=O)CCO2)CC1
|
O=CC#CCCCCC5)))))))NCCF)CCNC=O)[C@H]CS=O)=O)CCO6)))))))CC6
|
[O][=C][Branch1][#Branch2][C][#C][C][C][C][C][C][Ring1][Branch1][N][C][C][Branch1][C][F][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][O][Ring1][Branch2][C][C][Ring1][P]
|
O=C3C#CC1CCCC1.C17(F)CCN4CC1.[C@H]16CS(=O)(=O)CCO1.C46=O.N35.C57
|
C[C@@H]1C[C@@]2(C(=O)NCC3(F)CN(C(=O)[C@@H]4C[C@@H]5CSC[C@@H](C5)C4)C3)C[C@@H]12
|
C[C@@H]C[C@@]C=O)NCCF)CNC=O)[C@@H]C[C@@H]CSC[C@@H]C6)C8)))))))))C4)))))))C[C@@H]53
|
[C][C@@H1][C][C@@][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][F][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][S][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][S][C][C@@H1][Ring2][Ring1][=Branch2][Ring2][Ring1][#Branch1]
|
[C@H]1%10C[C@H]2CSC[C@@H](C1)C2.C[C@@H]1C[C@@]29C[C@@H]12.C1%11(F)CN7C1.C69=O.C7%10=O.N68.C8%11
|
O=C(c1csc(Cl)n1)N1C[C@@H]2C[C@@]2(CNCc2cccc(Br)n2)C1
|
O=CccscCl)n5)))))NC[C@@H]C[C@@]3CNCcccccBr)n6)))))))))C6
|
[O][=C][Branch1][O][C][=C][S][C][Branch1][C][Cl][=N][Ring1][=Branch1][N][C][C@@H1][C][C@@][Ring1][Ring1][Branch1][#C][C][N][C][C][=C][C][=C][C][Branch1][C][Br][=N][Ring1][#Branch1][C][Ring1][S]
|
N13C[C@@H]2C[C@@]28C1.c17cccc(Br)n1.c16csc(Cl)n1.O=C36.C48.N45.C57
|
COC[C@H](C(=O)N1CC[C@@H](C(=O)N2CC=CCC2)[C@H]1C(C)C)N(C)C
|
COC[C@H]C=O)NCC[C@@H]C=O)NCC=CCC6)))))))[C@H]5CC)C))))))))NC)C
|
[C][O][C][C@H1][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][=N][C][=Branch1][C][=O][N][C][C][=C][C][C][Ring1][=Branch1][C@H1][Ring1][=N][C][Branch1][C][C][C][N][Branch1][C][C][C]
|
N13CC[C@@H]7[C@H]18.C5[C@@H]6C3=O.N14CC=CCC1.C47=O.C8(C)C.N6(C)C.CO5
|
C[C@]1(NC(=O)CCN(CCCO)C(=O)CCC2CC2)C[C@H]2CC[C@@H]1C2
|
C[C@]NC=O)CCNCCCO))))C=O)CCCCC3)))))))))))C[C@H]CC[C@@H]6C5
|
[C][C@][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][N][Branch1][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Ring1][C][C@H1][C][C][C@@H1][Ring2][Ring1][#Branch1][C][Ring1][Branch1]
|
C[C@]15C[C@H]2CC[C@@H]1C2.C3(=O)CC6.C4(=O)CC8.C7CCO.N467.C18CC1.N35
|
Cc1cccc(OCC(=O)NCC2(CNC(=O)C(C(C)C)C(C)C)CCC2)c1F
|
CcccccOCC=O)NCCCNC=O)CCC)C))CC)C))))))CCC4)))))))))c6F
|
[C][C][=C][C][=C][C][Branch2][Ring2][Branch1][O][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][C][C][Ring1][#C][=C][Ring2][Ring1][O][F]
|
C4(=O)C(C(C)C)C(C)C.Cc1cccc6c1F.C19%10CCC1.C5C3=O.O56.N37.C79.C8%10.N48
|
O=C(Cc1cccc2c1OCO2)N[C@H]1CCN(C(=O)c2cc(Br)no2)C1
|
O=CCcccccc6OCO5))))))))))N[C@H]CCNC=O)cccBr)no5))))))C5
|
[O][=C][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][Branch1][N][C@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=N][O][Ring1][=Branch1][C][Ring1][=N]
|
c17cccc2c1OCO2.[C@H]15CCN4C1.c16cc(Br)no1.O=C3C7.C46=O.N35
|
C[C@@H](CC(=O)N1CCO[C@@H](C(=O)N2CCN(C)C(C)(C)C2)C1)N(C)C
|
C[C@@H]CC=O)NCCO[C@@H]C=O)NCCNC)CC)C)C6)))))))C6))))))))NC)C
|
[C][C@@H1][Branch2][Ring2][=Branch1][C][C][=Branch1][C][=O][N][C][C][O][C@@H1][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][C][Ring1][P][N][Branch1][C][C][C]
|
N14CCN(C)C(C)(C)C1.N13CCO[C@@H]6C1.C[C@H]5CC3=O.C46=O.N5(C)C
|
CCCCC[C@@H](C)CC(=O)N[C@@]12CC[C@@H](C1)N(C(=O)CN1CCN(C)C(=O)C1)C2
|
CCCCC[C@@H]C)CC=O)N[C@@]CC[C@@H]C5)NC=O)CNCCNC)C=O)C6))))))))C6
|
[C][C][C][C][C][C@@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][N][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][Branch2][C][Ring2][Ring1][C]
|
CCCCC[C@@H](C)CC3=O.[C@@]126CC[C@@H](C1)N4C2.N15CCN(C)C(=O)C1.C4(=O)C5.N36
|
CN1CCC(c2ccc(NC(=O)[C@H]3C[C@@H]3NCc3ccc(Br)o3)cc2)CC1
|
CNCCCccccNC=O)[C@H]C[C@@H]3NCccccBr)o5))))))))))))cc6))))))CC6
|
[C][N][C][C][C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][C][C@@H1][Ring1][Ring1][N][C][C][=C][C][=C][Branch1][C][Br][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][#Branch2]
|
CN1CCC%10CC1.c1%10ccc6cc1.c19ccc(Br)o1.[C@H]18C[C@@H]17.C48=O.N46.N57.C59
|
CCN1C[C@H](C(=O)N2CCN(C(=O)c3cscn3)CC3(CC3)C2)CC1=O
|
CCNC[C@H]C=O)NCCNC=O)ccscn5))))))CCCC3))C7))))))))CC5=O
|
[C][C][N][C][C@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][C][=N][Ring1][Branch1][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][S][C][C][Ring2][Ring1][#Branch1][=O]
|
N14CCN5CC2(CC2)C1.N18C[C@H]7CC1=O.c16cscn1.C47=O.C56=O.CC8
|
O=C(NC[C@@H]1COCCN(C(=O)COCCF)C1)c1cn(C2CCOCC2)nn1
|
O=CNC[C@@H]COCCNC=O)COCCF))))))C7)))))))))ccnCCCOCC6))))))nn5
|
[O][=C][Branch2][Ring1][#Branch1][N][C][C@@H1][C][O][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][O][C][C][F][C][Ring1][=C][C][=C][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][N][=N][Ring1][O]
|
[C@@H]19COCCN4C1.c18cn%10nn1.C1%10CCOCC1.C4(=O)C5.O=C38.C6CF.N37.C79.O56
|
O=C(Nc1cnccc1Cl)[C@H]1C[C@H](NCc2cn3ccccc3n2)C1
|
O=CNccnccc6Cl))))))))[C@H]C[C@H]NCccnccccc6n9)))))))))))C4
|
[O][=C][Branch1][O][N][C][=C][N][=C][C][=C][Ring1][=Branch1][Cl][C@H1][C][C@H1][Branch1][S][N][C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][Ring1][#C]
|
c19cn2ccccc2n1.c16cnccc1Cl.[C@H]18C[C@H]7C1.O=C48.N46.N57.C59
|
COc1cccc(C(=O)NC[C@H]2C[C@@H](C)N(C(=O)c3ncccc3F)C2)c1F
|
COcccccC=O)NC[C@H]C[C@@H]C)NC=O)cncccc6F))))))))C5))))))))c6F
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][#C][=C][Ring2][Ring1][=Branch2][F]
|
c16cccc9c1F.[C@H]1%10C[C@@H](C)N5C1.c18ncccc1F.C49=O.C58=O.CO6.N47.C7%10
|
CCC(C)(C)CNC(=NC[C@H](C)Oc1cccc(Br)c1)N[C@@H](C)C1CC1
|
CCCC)C)CNC=NC[C@H]C)OcccccBr)c6))))))))))N[C@@H]C)CCC3
|
[C][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch2][Ring1][Ring1][=N][C][C@H1][Branch1][C][C][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][C@@H1][Branch1][C][C][C][C][C][Ring1][Ring1]
|
N4C(=NC[C@@H]2C)N5.c13cccc(Br)c1.CCC(C)(C)C4.[C@@H]56C.C16CC1.O23
|
O=C(N[C@H]1COC2(C1)CN(C(=O)c1ccnc(O)c1)C2)[C@@H]1OC2CCC1CC2
|
O=CN[C@H]COCC5)CNC=O)cccncO)c6)))))))C4))))))))[C@@H]OCCCC6CC6
|
[O][=C][Branch2][Ring1][P][N][C@H1][C][O][C][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][C][O][=C][Ring1][#Branch1][C][Ring1][=C][C@@H1][O][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1]
|
[C@H]15COC2(C1)CN4C2.[C@@H]16OC2CCC1CC2.c17ccnc(O)c1.O=C36.C47=O.N35
|
CC[C@H](C(=O)NC[C@H]1CCCC[C@H]1C(=O)N1C[C@H](C)CCC[C@@H]1C)N(C)C
|
CC[C@H]C=O)NC[C@H]CCCC[C@H]6C=O)NC[C@H]C)CCC[C@@H]7C))))))))))))))))))NC)C
|
[C][C][C@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C][C][C][C@@H1][Ring1][Branch2][C][N][Branch1][C][C][C]
|
N13C[C@H](C)CCC[C@@H]1C.[C@H]17CCCC[C@H]16.CC[C@@H]4C2=O.C36=O.N4(C)C.N25.C57
|
CO[C@](C)(CC1CCC1)C(=O)N1CC(NC(=O)c2cc3n(n2)C[C@H](O)CO3)C1
|
CO[C@]C)CCCCC4)))))C=O)NCCNC=O)cccnn5)C[C@H]O)CO6))))))))))C4
|
[C][O][C@][Branch1][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C@H1][Branch1][C][O][C][O][Ring1][Branch2][C][Ring1][P]
|
c18cc2n(n1)C[C@H](O)CO2.[C@]6(C)(C9)C4=O.N14CC7C1.C19CCC1.C58=O.CO6.N57
|
C#CCC[C@H](O)C(=O)N1CCC(CCNC(=O)COCc2nc[nH]n2)CC1
|
C#CCC[C@H]O)C=O)NCCCCCNC=O)COCcnc[nH]n5))))))))))))CC6
|
[C][#C][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][C][O][C][C][N][=C][NH1][N][=Ring1][Branch1][C][C][Ring2][Ring1][Ring1]
|
C#CCC[C@H](O)C3=O.N13CCC9CC1.c18nc[nH]n1.C4(=O)C5.C9C7.N47.O56.C68
|
Cc1cc(C)n2nc(C)c(C(=O)NCC3(F)CC(NC(=O)C4CC4)C3)c2n1
|
CcccC)nncC)cC=O)NCCF)CCNC=O)CCC3)))))C4)))))))c5n9
|
[C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][C][C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][F][C][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring1][O][=C][Ring2][Ring1][Branch1][N][=Ring2][Ring1][#Branch2]
|
Cc1cc(C)n2nc(C)c%10c2n1.C1%11(F)CC8C1.C5%10=O.C69=O.C19CC1.N57.C7%11.N68
|
CNc1ncccc1C(=O)N[C@H](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1C(F)(F)F
|
CNcncccc6C=O)N[C@H]C)C[C@@H]C)NC=O)[C@@H]C[C@H]3CF)F)F
|
[C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F]
|
c16ncccc18.[C@@H]4(C)C[C@H]5C.[C@@H]17C[C@H]19.C9(F)(F)F.C28=O.C37=O.CN6.N24.N35
|
CCC=CC=CC(=O)N1CCC[C@@](CC)(C(=O)N2CCC(C3(O)CC3)CC2)C1
|
CCC=CC=CC=O)NCCC[C@@]CC))C=O)NCCCCO)CC3)))CC6)))))))C6
|
[C][C][C][=C][C][=C][C][=Branch1][C][=O][N][C][C][C][C@@][Branch1][Ring1][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][Branch1][C][O][C][C][Ring1][Ring2][C][C][Ring1][#Branch2][C][Ring2][Ring1][Ring2]
|
N15CCC(C2(O)CC2)CC1.N14CCC[C@]69C1.C=8C4=O.CCC=7.C=7C=8.C56=O.C9C
|
NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C1CC(S(N)(=O)=O)C1
|
NC=O)NCCC[C@H]5C=O)NCCC[C@@H]5CNC=O)CCCSN)=O)=O))C4
|
[N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][Ring1][Branch2]
|
C17CC(S(N)(=O)=O)C1.N12CCC[C@H]16.N13CCC[C@@H]18.NC2=O.C36=O.C47=O.C58.N45
|
CN(C)CCn1ccc(=NC(=O)N[C@H]2COc3cc(Cl)ccc3C2)[nH]1
|
CNC)CCnccc=NC=O)N[C@H]COcccCl)ccc6C%10)))))))))))))[nH]5
|
[C][N][Branch1][C][C][C][C][N][C][=C][C][=Branch2][Ring1][Branch2][=N][C][=Branch1][C][=O][N][C@H1][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Ring1][O][NH1][Ring2][Ring1][Ring2]
|
[C@H]16COc2cc(Cl)ccc2C1.n17ccc(=NC4=O)[nH]1.CN5C.C5C7.N46
|
O=C(C1CC2(C1)CS(=O)(=O)C2)N1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@H](CCO)C1
|
O=CCCCC4)CS=O)=O)C4))))))NCCNC=O)[C@@H]CCCS5=O)=O)))))))[C@H]CCO)))C6
|
[O][=C][Branch2][Ring1][Ring2][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][C@H1][Branch1][Ring2][C][C][O][C][Ring2][Ring1][C]
|
C16CC2(C1)CS(=O)(=O)C2.N13CCN4[C@H]7C1.[C@@H]15CCCS1(=O)=O.O=C36.C45=O.C7CO
|
CCc1cccc(F)c1C(=O)NC1CC(NC(=O)c2c(F)cc(OC)cc2Cl)C1
|
CCcccccF)c6C=O)NCCCNC=O)ccF)ccOC))cc6Cl)))))))))C4
|
[C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][Cl][C][Ring1][P]
|
c19c(F)cc5cc1Cl.c1%10cccc(F)c18.C16CC7C1.C38=O.C49=O.CC%10.N36.N47.O5C
|
C=C[C@H](C)NC(=NC[C@@H]1CCC(C)(C)N1C(=O)OC(C)(C)C)NCC1OCCO1
|
C=C[C@H]C)NC=NC[C@@H]CCCC)C)N5C=O)OCC)C)C)))))))))))NCCOCCO5
|
[C][=C][C@H1][Branch1][C][C][N][C][=Branch2][Ring1][=N][=N][C][C@@H1][C][C][C][Branch1][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][C][O][C][C][O][Ring1][Branch1]
|
[C@@H]17CCC(C)(C)N13.N5C(=NC7)N6.C18OCCO1.C=C[C@@H]5C.C4(C)(C)C.C23=O.O24.C68
|
CCO[C@@H](CC)C(=O)N1C[C@H](CNC(=O)C(C)(C)C(N)=O)CC(C)(C)C1
|
CCO[C@@H]CC))C=O)NC[C@H]CNC=O)CC)C)CN)=O))))))CCC)C)C6
|
[C][C][O][C@@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][N][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][C]
|
N12C[C@H]7CC(C)(C)C1.C3(=O)C(C)(C)C(N)=O.[C@H]5(CC)C2=O.CC4.O45.C67.N36
|
CC(C)[C@@H](O)CC(=O)NCCCCCCC(=O)Nc1cccc(Cl)c1
|
CCC)[C@@H]O)CC=O)NCCCCCCC=O)NcccccCl)c6
|
[C][C][Branch1][C][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
|
C4CCCCCC3=O.CC(C)[C@@H](O)CC2=O.c15cccc(Cl)c1.N24.N35
|
C[C@H](C(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl)N1CCCCCC1
|
C[C@H]C=O)NccO)cCl)ccCl)c6Cl)))))))))NCCCCCC7
|
[C][C@H1][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl][N][C][C][C][C][C][C][Ring1][#Branch1]
|
c14c(O)c(Cl)cc(Cl)c1Cl.N13CCCCCC1.C[C@@H]3C2=O.N24
|
CN1CCC[C@@H]1/C=C/C(=O)NCCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1
|
CNCCC[C@@H]5/C=C/C=O)NCCNC=O)cccc[N+]=O)[O-]))cc6F))))))))CCC3
|
[C][N][C][C][C][C@@H1][Ring1][Branch1][/C][=C][/C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][F][C][C][C][Ring1][Ring1]
|
c17ccc([N+](=O)[O-])cc1F.CN1CCC[C@@H]1C=8.C=8C2=O.C4C5.N356.C37=O.C16CC1.N24
|
CNC(=O)NCC(=O)NCCN(C(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)C1CC1
|
CNC=O)NCC=O)NCCNC=O)[C@H]C)CNC)C=O)OCC)C)C))))))))CCC3
|
[C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][Ring1]
|
C9(=O)[C@H](C)C4.C%12C8=O.C%11(C)(C)C.C67=O.C%13C3.N935.N%104C.C2%10=O.C15CC1.CN6.N7%12.N8%13.O2%11
|
CC1(N[C@@H](c2cccc(F)c2C(F)(F)F)c2nnnn2C[C@H]2CCCO2)CC1
|
CCN[C@@H]cccccF)c6CF)F)F))))))))cnnnn5C[C@H]CCCO5)))))))))))))CC3
|
[C][C][Branch2][Ring2][Branch2][N][C@@H1][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=N][N][=N][N][Ring1][Branch1][C][C@H1][C][C][C][O][Ring1][Branch1][C][C][Ring2][Ring1][O]
|
c18cccc(F)c19.c17nnnn15.[C@H]16CCCO1.CC13CC1.C9(F)(F)F.[C@@H]478.N34.C56
|
CCCCCCC(=O)N1CC([C@H](O)C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)C1
|
CCCCCCC=O)NCC[C@H]O)C=O)N[C@@H]CCC[C@H]CCC3)))C6)))))))))C4
|
[C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch2][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C@@H1][C][C][C][C@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=Branch2][C][Ring2][Ring1][C]
|
[C@@H]16CCC[C@H](C2CC2)C1.CCCCCCC4=O.N14CC7C1.[C@@H]7(O)C5=O.N56
|
C=CCCCCCCCCC(=O)NC[C@@H]1CCCN1Cc1c(Cl)cc(Cl)nc1Cl
|
C=CCCCCCCCCC=O)NC[C@@H]CCCN5CccCl)ccCl)nc6Cl
|
[C][=C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][N][Ring1][Branch1][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][N][=C][Ring1][Branch2][Cl]
|
C=CCCCCCCCCC2=O.c16c(Cl)cc(Cl)nc1Cl.[C@@H]15CCCN14.N23.C35.C46
|
Cc1ccccc1C[C@H](C)C(=O)NC[C@H](NC(=O)COC1CCCCC1)C1CC1
|
Ccccccc6C[C@H]C)C=O)NC[C@H]NC=O)COCCCCCC6))))))))))CCC3
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][O][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring1]
|
Cc1ccccc19.C9[C@H](C)C2=O.C15CCCCC1.C6[C@H]78.C3(=O)C4.C18CC1.N26.N37.O45
|
CS(=O)(=O)CCCC(=O)NCCN1CCN(C(=O)C2CC3(CC[C@@H]3O)C2)CC1
|
CS=O)=O)CCCC=O)NCCNCCNC=O)CCCCC[C@@H]4O))))C4)))))CC6
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][Branch1][#Branch1][C][C][C@@H1][Ring1][Ring2][O][C][Ring1][Branch2][C][C][Ring1][S]
|
CS(=O)(=O)CCCC4=O.C18CC2(CC[C@@H]2O)C1.N17CCN5CC1.C6C7.C58=O.N46
|
COCC[C@H](CNC(=O)c1cnc(C2CC2)o1)NC(=O)Cc1nn(C)cc1Cl
|
COCC[C@H]CNC=O)ccncCCC3)))o5))))))))NC=O)CcnnC)cc5Cl
|
[C][O][C][C][C@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Cl]
|
c19nn(C)cc1Cl.C5C[C@@H]6C7.c18cnc%10o1.C4(=O)C9.C38=O.C1%10CC1.CO5.N37.N46
|
Cn1cnc2cc(C(=O)N3CC[C@@H](CCNC(=O)C[C@@H]4C=CCCC4)C3)ncc21
|
CncncccC=O)NCC[C@@H]CCNC=O)C[C@@H]C=CCCC6)))))))))))C5))))))ncc69
|
[C][N][C][=N][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][P][C][C][N][C][=Branch1][C][=O][C][C@@H1][C][=C][C][C][C][Ring1][=Branch1][C][Ring1][P][=N][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][N]
|
Cn1cnc2cc8ncc21.N15CC[C@@H]9C1.[C@@H]1%10C=CCCC1.C6(=O)C%10.C58=O.C9C7.N67
|
C#Cc1ccc(C(=O)N[C@H](CCC)CC(=O)N[C@@H](CCC)C(C)(C)C)cn1
|
C#CccccC=O)N[C@H]CCC)))CC=O)N[C@@H]CCC)))CC)C)C)))))))))cn6
|
[C][#C][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@H1][Branch1][Ring2][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=N][Ring2][Ring1][=Branch2]
|
C#Cc1ccc6cn1.[C@@H]4(CCC)CC3=O.[C@H]5(CCC)C(C)(C)C.C26=O.N24.N35
|
C[C@@H](C(=O)NCCC1CCN(Cc2cc3n(n2)CCC3)CC1)N1CCCCCC1
|
C[C@@H]C=O)NCCCCCNCcccnn5)CCC5))))))))CC6))))))))))NCCCCCC7
|
[C][C@@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][S][C][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][C][Ring1][=Branch1][C][C][Ring1][#C][N][C][C][C][C][C][C][Ring1][#Branch1]
|
c18cc2n(n1)CCC2.C19CCN7CC1.N15CCCCCC1.C[C@H]5C4=O.C6C9.N46.C78
|
COCC[C@@H](CNC(=O)CSc1nccn1C)NC(=O)[C@H](C)c1ncco1
|
COCC[C@@H]CNC=O)CScnccn5C)))))))))))NC=O)[C@H]C)cncco5
|
[C][O][C][C][C@@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][N][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][=N][C][=C][O][Ring1][Branch1]
|
C4C[C@H]5C6.c19nccn1C.C3(=O)[C@@H]8C.c18ncco1.C2(=O)C7.CO4.N26.S79.N35
|
CC(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)[C@@H]1C
|
CCC)Cnc-ccscNCCOCC6))))))n5)))))nnc5NCCNC)C=O)[C@@H]6C
|
[C][C][Branch1][C][C][C][N][C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][O][=N][N][=C][Ring1][S][N][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Ring1][Branch2][C]
|
N15CCN(C)C(=O)[C@@H]1C.n16c5nnc17.c17csc4n1.N14CCOCC1.CC(C)C6
|
CC(C)(C)c1ncc(/C=C/C(=O)NC2CC(NC(=O)c3csnn3)C2)s1
|
CCC)C)cncc/C=C/C=O)NCCCNC=O)ccsnn5)))))))C4))))))))s5
|
[C][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][Branch2][Ring1][N][/C][=C][/C][=Branch1][C][=O][N][C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][S][N][=N][Ring1][Branch1][C][Ring1][N][S][Ring2][Ring1][=Branch1]
|
c1%10ncc(C=9)s1.C16CC7C1.c18csnn1.CC%10(C)C.C=9C4=O.C58=O.N46.N57
|
COCCSCC(=O)NC1[C@H]2COC[C@H]1CC(NC(=O)c1cc(C)nnc1O)C2
|
COCCSCC=O)NC[C@H]COC[C@H]6CCNC=O)cccC)nnc6O)))))))))C8
|
[C][O][C][C][S][C][C][=Branch1][C][=O][N][C][C@H1][C][O][C][C@H1][Ring1][=Branch1][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][N][=C][Ring1][#Branch1][O][C][Ring2][Ring1][Ring1]
|
C18[C@H]2COC[C@H]1CC9C2.c1%10cc(C)nnc1O.C7C3=O.C5C6.C4%10=O.CO5.S67.N38.N49
|
CC(C)N(C)CCCC(=O)N1CC[C@@H]2CCC[C@@]21C(=O)N(C)[C@H]1CCC[C@H]1C#N
|
CCC)NC)CCCC=O)NCC[C@@H]CCC[C@@]58C=O)NC)[C@H]CCC[C@H]5C#N
|
[C][C][Branch1][C][C][N][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][C][C][C][C@@][Ring1][Branch1][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][C][C][C][C@H1][Ring1][Branch1][C][#N]
|
N13CC[C@@H]2CCC[C@@]218.[C@H]17CCC[C@H]1C#N.C6CCC3=O.CC5C.N56C.C48=O.N47C
|
CO[C@@H]1CCC[C@H](C(=O)N[C@@]2(C)CCN(C(=O)[C@H](C(C)C)n3cccc3)C2)C1
|
CO[C@@H]CCC[C@H]C=O)N[C@@]C)CCNC=O)[C@H]CC)C))ncccc5)))))))C5)))))))C6
|
[C][O][C@@H1][C][C][C][C@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C@@][Branch1][C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=C][C][=C][Ring1][Branch1][C][Ring1][P][C][Ring2][Ring1][#Branch2]
|
[C@@H]16CCC[C@H]8C1.[C@]17(C)CCN5C1.C5(=O)[C@@H]9C(C)C.n19cccc1.C48=O.CO6.N47
|
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