SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
C[C@@H](CN(C)C)C(=O)N1C[C@H](O)CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1
|
C[C@@H]CNC)C)))C=O)NC[C@H]O)CC[C@H]NC=O)Ccccccc6[N+]=O)[O-])))))))))))C7
|
[C][C@@H1][Branch1][#Branch1][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Ring2][Ring1][Branch1]
|
N13C[C@@H]6CC[C@@H](O)C1.c17ccccc1[N+](=O)[O-].C[C@@H](C5)C3=O.C4(=O)C7.N5(C)C.N46
|
CC[C@@H](NC(=O)[C@H]1CC[C@H](C(C)C)N1C(=O)C#CC1CCCCC1)c1nn[nH]n1
|
CC[C@@H]NC=O)[C@H]CC[C@H]CC)C))N5C=O)C#CCCCCCC6))))))))))))))))cnn[nH]n5
|
[C][C][C@@H1][Branch2][Ring2][C][N][C][=Branch1][C][=O][C@H1][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][#C][C][C][C][C][C][C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1]
|
C3(=O)C#CC1CCCCC1.[C@H]15CC[C@H]6N13.c17nn[nH]n1.CC[C@@H]47.C25=O.C6(C)C.N24
|
Cc1n[nH]c(C)c1C(=O)NCCCCN(C)C(=O)c1coc(O)n1
|
Ccn[nH]cC)c5C=O)NCCCCNC)C=O)ccocO)n5
|
[C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][O][C][Branch1][C][O][=N][Ring1][=Branch1]
|
Cc1n[nH]c(C)c17.c16coc(O)n1.C4CCC5.C27=O.N35C.C36=O.N24
|
O=C(NCC#CCNC(=O)c1ccc([N+](=O)[O-])cc1F)c1cnn(C2CCC2)c1
|
O=CNCC#CCNC=O)cccc[N+]=O)[O-]))cc6F))))))))))))))ccnnCCCC4))))c5
|
[O][=C][Branch2][Ring1][O][N][C][C][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][F][C][C][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][=Ring1][=Branch2]
|
c18ccc([N+](=O)[O-])cc1F.c17cnn9c1.C5C#CC6.C19CCC1.O=C37.C48=O.N35.N46
|
C=CC1(C(=O)NC[C@](C)(NC(=O)Cn2cncn2)C2CCC2)CCOCC1
|
C=CCC=O)NC[C@]C)NC=O)Cncncn5))))))))CCCC4))))))))CCOCC6
|
[C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][N][C][=N][C][=N][Ring1][Branch1][C][C][C][C][Ring1][Ring2][C][C][O][C][C][Ring2][Ring1][=Branch2]
|
C=CC17CCOCC1.C5[C@]69C.n18cncn1.C4(=O)C8.C19CCC1.C37=O.N35.N46
|
CC(=O)CSCC(=O)N1CCC(O)([C@H](C)NC(=O)[C@@]23CCC[C@@H]2C3(F)F)CC1
|
CC=O)CSCC=O)NCCCO)[C@H]C)NC=O)[C@@]CCC[C@@H]5C6F)F))))))))))CC6
|
[C][C][=Branch1][C][=O][C][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch2][Ring1][Branch2][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@][C][C][C][C@@H1][Ring1][Branch1][C][Ring1][=Branch1][Branch1][C][F][F][C][C][Ring2][Ring1][Ring2]
|
N14CCC%10(O)CC1.[C@@]129CCC[C@@H]1C2(F)F.CC(=O)C7.C8C4=O.[C@@H]6%10C.C59=O.S78.N56
|
O=C(N[C@@H]1CCC[C@@H]1Cn1cc(COCCO)nn1)c1cccn1C1CCCC1
|
O=CN[C@@H]CCC[C@@H]5CnccCOCCO)))))nn5))))))))))))ccccn5CCCCC5
|
[O][=C][Branch2][Ring1][Branch2][N][C@@H1][C][C][C][C@@H1][Ring1][Branch1][C][N][C][=C][Branch1][=Branch1][C][O][C][C][O][N][=N][Ring1][#Branch2][C][=C][C][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1]
|
[C@@H]15CCC[C@@H]19.n17cc8nn1.c16cccn1%10.C1%10CCCC1.O=C26.C4CO.N25.C79.C38.O34
|
Cc1ncccc1CCNC(=O)[C@H]1CCN(C(=O)C2=C[C@@]3(CCOC3)C2)C1(C)C
|
Ccncccc6CCNC=O)[C@H]CCNC=O)C=C[C@@]CCOC5))))C4)))))C5C)C
|
[C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C@@][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][C][Ring1][Branch2][C][Ring1][#C][Branch1][C][C][C]
|
C5(=O)C1=C[C@@]2(CCOC2)C1.[C@H]17CCN5C1(C)C.Cc1ncccc18.C8C6.C47=O.N46
|
O=C(C=Cc1cccnc1)NCCC1(CNC(=O)[C@@](F)(Cl)c2ccccc2)CC1
|
O=CC=Cccccnc6))))))))NCCCCNC=O)[C@@]F)Cl)cccccc6))))))))))CC3
|
[O][=C][Branch1][O][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C@@][Branch1][C][F][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S]
|
C=7c1cccnc1.C4(=O)[C@@]%10(F)Cl.c1%10ccccc1.O=C3C=7.C189CC1.C5C8.N35.C69.N46
|
CO[C@H](CN1CC([C@@H](C)NC(=O)CNC(=O)C2CCCCC2)C1)c1ccccc1
|
CO[C@H]CNCC[C@@H]C)NC=O)CNC=O)CCCCCC6))))))))))))C4)))))cccccc6
|
[C][O][C@H1][Branch2][Ring2][Ring1][C][N][C][C][Branch2][Ring1][Branch2][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
C19CCCCC1.c1%11ccccc1.N16CC%10C1.[C@H]5%11C6.C3(=O)C8.[C@H]7%10C.C49=O.CO5.N37.N48
|
CC(C)N(CCNC(=O)[C@H]1CC1(C)C)C(=O)c1noc2c1C[C@H](C(C)(C)C)CC2
|
CCC)NCCNC=O)[C@H]CC3C)C))))))))C=O)cnocc5C[C@H]CC)C)C))CC6
|
[C][C][Branch1][C][C][N][Branch1][P][C][C][N][C][=Branch1][C][=O][C@H1][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C@H1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#Branch2]
|
c18noc2c1C[C@H]%10CC2.[C@H]19CC1(C)C.C%10(C)(C)C.CC5C.N456.C6C7.C39=O.C48=O.N37
|
C=C(F)CN=c1nc2c(ncn2CC)c(NC[C@]23CCC[C@H]2C3(F)F)[nH]1
|
C=CF)CN=cnccncn5CC)))))cNC[C@]CCC[C@H]5C6F)F)))))))))[nH]6
|
[C][=C][Branch1][C][F][C][N][=C][N][=C][C][Branch1][Branch2][N][=C][N][Ring1][Branch1][C][C][=C][Branch1][P][N][C][C@][C][C][C][C@H1][Ring1][Branch1][C][Ring1][=Branch1][Branch1][C][F][F][NH1][Ring2][Ring1][Branch1]
|
C=C(F)CN=c1nc2c(ncn26)c5[nH]1.[C@]127CCC[C@H]1C2(F)F.C6C.N45.C47
|
COC1(C(=O)N2CCC(C[C@@H]3COCCN3C(=O)CCc3ccco3)CC2)CC1
|
COCC=O)NCCCC[C@@H]COCCN6C=O)CCcccco5)))))))))))))))CC6)))))))CC3
|
[C][O][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch1][C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][O]
|
N14CCC%10CC1.[C@@H]18COCCN15.C5(=O)CC9.c19ccco1.C167CC1.C47=O.CO6.C8%10
|
Cn1ccnc1CNC(=O)[C@H]1CC[C@@H](NCc2cccc3cnccc23)C1
|
Cnccnc5CNC=O)[C@H]CC[C@@H]NCccccccnccc%106))))))))))))C5
|
[C][N][C][=C][N][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@H1][C][C][C@@H1][Branch1][P][N][C][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring1][P]
|
c1%10cccc2cnccc12.Cn1ccnc19.[C@H]18CC[C@@H]7C1.C48=O.C59.N45.N67.C6%10
|
CC1=C(C(=O)N[C@@H]2[C@@H]3CC[C@H]2N(C(=O)c2cn(C4CC4)nn2)C3)CCC1
|
CC=CC=O)N[C@@H][C@@H]CC[C@H]5NC=O)ccnCCC3)))nn5))))))C6)))))))))CCC5
|
[C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C@@H1][C@@H1][C][C][C@H1][Ring1][Branch1][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=N][Ring1][Branch2][C][Ring1][S][C][C][C][Ring2][Ring1][=Branch2]
|
CC1=C(C5=O)CCC1.[C@@H]17[C@@H]2CC[C@H]1N6C2.c18cn9nn1.C68=O.C19CC1.N57
|
C#CC[C@@]1(C(=O)N[C@H](C)CCN(C)C(=O)CCc2ccccc2Cl)CCCO1
|
C#CC[C@@]C=O)N[C@H]C)CCNC)C=O)CCcccccc6Cl))))))))))))))))CCCO5
|
[C][#C][C][C@@][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][C][O][Ring2][Ring1][=Branch2]
|
c19ccccc1Cl.[C@@]178CCCO1.[C@@H]5(C)CC6.C4(=O)CC9.C#CC8.C37=O.N46C.N35
|
C[C@H](CC1CCN(C(=O)[C@H]2CCC(=O)N2)CC1)NC(=O)[C@H]1COc2ccccc21
|
C[C@H]CCCCNC=O)[C@H]CCC=O)N5))))))CC6)))))))NC=O)[C@H]COcccccc69
|
[C][C@H1][Branch2][Ring1][#Branch2][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][Ring1][=C][N][C][=Branch1][C][=O][C@H1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]
|
C4(=O)[C@H]1COc2ccccc21.C17CCN3CC1.[C@H]16CCC(=O)N1.C[C@@H]5C7.C36=O.N45
|
O=C1C[C@H]2C(C(=O)N3CCC[C@@H]3CCNC(=O)c3ccco3)[C@@H]2C1
|
O=CC[C@H]CC=O)NCCC[C@@H]5CCNC=O)cccco5)))))))))))))))[C@@H]3C6
|
[O][=C][C][C@H1][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C@@H1][Ring2][Ring1][Ring2][C][Ring2][Ring1][#Branch1]
|
O=C1C[C@H]2C8[C@@H]2C1.N14CCC[C@@H]19.c17ccco1.C48=O.C9C6.C57=O.N56
|
CC[C@H](CNC(=O)C[C@@]12CCC[C@@H]1C2)NC(=O)C1CC(=C2CCC2)C1
|
CC[C@H]CNC=O)C[C@@]CCC[C@@H]5C6))))))))))NC=O)CCC=CCCC4))))C4
|
[C][C][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C@@][C][C][C][C@@H1][Ring1][Branch1][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][#Branch1][=C][C][C][C][Ring1][Ring2][C][Ring1][Branch2]
|
[C@@]129CCC[C@@H]1C2.CC[C@@H]5C6.C17CC=8C1.C3(=O)C9.C1=8CCC1.C47=O.N36.N45
|
C=C1CC(C(=O)NC[C@@H]2CN(C(=O)C[C@@H](O)CCSC)C[C@H]2c2cncn2C)C1
|
C=CCCC=O)NC[C@@H]CNC=O)C[C@@H]O)CCSC)))))))C[C@H]5ccncn5C))))))))))))))C4
|
[C][=C][C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C@@H1][Branch1][C][O][C][C][S][C][C][C@H1][Ring1][=C][C][=C][N][=C][N][Ring1][Branch1][C][C][Ring2][Ring1][N]
|
C4(=O)C[C@@H](O)CC6.[C@@H]18CN4C[C@H]19.c19cncn1C.C=C1CC7C1.C37=O.N35.C58.S6C
|
CCCc1cc(C(=O)N[C@@H]2CN(C(=O)COC3CCCC3)C[C@H]2C)n[nH]1
|
CCCcccC=O)N[C@@H]CNC=O)COCCCCC5))))))))C[C@H]5C))))))))n[nH]5
|
[C][C][C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][O][C][C][C][C][C][Ring1][Branch1][C][C@H1][Ring1][=C][C][=N][NH1][Ring2][Ring1][#Branch1]
|
[C@@H]18CN5C[C@H]1C.c1%10cc9n[nH]1.C17CCCC1.C5(=O)C6.CCC%10.C49=O.N48.O67
|
Cc1ncc(C(=O)N[C@@]2(C)CCN(C(=O)c3ccc(F)c(Cl)c3F)C2)c(O)n1
|
CcnccC=O)N[C@@]C)CCNC=O)ccccF)cCl)c6F))))))))C5)))))))cO)n6
|
[C][C][=N][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C@@][Branch1][C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][F][C][Ring1][P][C][Branch1][C][O][=N][Ring2][Ring1][O]
|
c18ccc(F)c(Cl)c1F.Cc1ncc7c(O)n1.[C@]16(C)CCN5C1.C47=O.C58=O.N46
|
C#Cc1ccccc1CC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(Cl)[nH]1
|
C#Ccccccc6CC=O)NCCOC[C@H]6CNC=O)ccccCl)[nH]5
|
[C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][O][C][C@H1][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][NH1][Ring1][=Branch1]
|
C#Cc1ccccc17.N12CCOC[C@H]16.c15ccc(Cl)[nH]1.C7C2=O.C35=O.C46.N34
|
Cc1nc(C)c(C(=O)CN(C)[C@H]2CNCC2(C)C)o1
|
CcncC)cC=O)CNC)[C@H]CNCC5C)C)))))))))o5
|
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][N][Branch1][C][C][C@H1][C][N][C][C][Ring1][Branch1][Branch1][C][C][C][O][Ring2][Ring1][C]
|
Cc1nc(C)c5o1.[C@H]14CNCC1(C)C.C5(=O)C3.N34C
|
C[C@@H]1CCCC[C@]1(CN=c1[nH]c(Cl)ncc1Cl)NC(=O)/C=C/CN(C)C
|
C[C@@H]CCCC[C@]6CN=c[nH]cCl)ncc6Cl)))))))))NC=O)/C=C/CNC)C
|
[C][C@@H1][C][C][C][C][C@][Ring1][=Branch1][Branch1][#C][C][N][=C][NH1][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][Cl][N][C][=Branch1][C][=O][/C][=C][/C][N][Branch1][C][C][C]
|
C6N=c1[nH]c(Cl)ncc1Cl.C[C@@H]1CCCC[C@@]136.C2(=O)C=5.C=5C4.N4(C)C.N23
|
CC(=O)N1CCO[C@@H](CN(C)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1
|
CC=O)NCCO[C@@H]CNC)C=O)[C@@H]C[C@H]3ccnc[nH]5)))))))))))C6
|
[C][C][=Branch1][C][=O][N][C][C][O][C@@H1][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][=C][N][=C][NH1][Ring1][Branch1][C][Ring2][Ring1][Ring1]
|
N13CCO[C@@H]7C1.c18cnc[nH]1.[C@@H]16C[C@H]18.CC3=O.N45C.C46=O.C57
|
C[C@H]1C[C@H]1CCCCNC(=O)CC1CCN(C(=O)[C@H]2C[C@H]2C(F)F)CC1
|
C[C@H]C[C@H]3CCCCNC=O)CCCCNC=O)[C@H]C[C@H]3CF)F))))))CC6
|
[C][C@H1][C][C@H1][Ring1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@H1][C][C@H1][Ring1][Ring1][C][Branch1][C][F][F][C][C][Ring1][=C]
|
C18CCN4CC1.C7CCC5.C[C@H]1C[C@H]17.C3(=O)C8.[C@H]16C[C@H]19.C46=O.C9(F)F.N35
|
COCC1(C(=O)NCC2CN(C(=O)c3c(F)ccc(O)c3F)C2)CC=CC1
|
COCCC=O)NCCCNC=O)ccF)cccO)c6F))))))))C4)))))))CC=CC5
|
[C][O][C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][F][C][Ring1][#C][C][C][=C][C][Ring2][Ring1][Branch2]
|
c19c(F)ccc(O)c1F.C18%10CC=CC1.C1%11CN5C1.C48=O.C59=O.CO6.C6%10.N47.C7%11
|
CC(C)C[C@H](C)CC(=O)N[C@H]1C[C@@H](OCC(=O)N(C)CC2(N(C)C)CCC2)C1
|
CCC)C[C@H]C)CC=O)N[C@H]C[C@@H]OCC=O)NC)CCNC)C))CCC4)))))))))C4
|
[C][C][Branch1][C][C][C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch2][Ring1][=Branch2][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C][Ring2][Ring1][C]
|
CC(C)C[C@H](C)CC3=O.[C@H]19C[C@@H]6C1.C18%10CCC1.C5C4=O.N47C.N8(C)C.N39.O56.C7%10
|
CCc1cc(C)c(C(=O)NCCCC[C@H](C)NC(=O)c2cc(OC)ns2)o1
|
CCcccC)cC=O)NCCCC[C@H]C)NC=O)cccOC))ns5))))))))))))))o5
|
[C][C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=N][S][Ring1][#Branch1][O][Ring2][Ring1][=Branch2]
|
c1%10cc(C)c8o1.C6CCC[C@@H]7C.c19cc5ns1.C38=O.C49=O.CC%10.N36.N47.O5C
|
Cc1cc(C(=O)N2CCO[C@@H](C3CN(C(=O)CCN4CCC4)C3)C2)ncc1CO
|
CcccC=O)NCCO[C@@H]CCNC=O)CCNCCC4)))))))C4))))C6)))))))ncc6CO
|
[C][C][=C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][O][C@@H1][Branch2][Ring1][Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][N][C][C][C][Ring1][Ring2][C][Ring1][N][C][Ring2][Ring1][C][=N][C][=C][Ring2][Ring1][#Branch2][C][O]
|
Cc1cc8ncc19.N15CCO[C@@H]%10C1.C1%10CN6C1.C6(=O)CC7.N17CCC1.C58=O.C9O
|
CSC[C@H](C)C(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC(=O)c1[nH]c(C)cc1C
|
CSC[C@H]C)C=O)N[C@H]CO[C@H][C@@H]5OC[C@@H]5NC=O)c[nH]cC)cc5C
|
[C][S][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][O][C@H1][C@@H1][Ring1][Branch1][O][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][C][=Ring1][=Branch1][C]
|
[C@H]16CO[C@H]2[C@@H]1OC[C@@H]27.c18[nH]c(C)cc1C.C5[C@H](C)C3=O.C48=O.CS5.N36.N47
|
CC(C)N1CC(NS(=O)(=O)c2cccc(=N[C@@H]3COc4cc(CO)nn4C3)[nH]2)C1
|
CCC)NCCNS=O)=O)ccccc=N[C@@H]COcccCO))nn5C9))))))))))[nH]6))))))))C4
|
[C][C][Branch1][C][C][N][C][C][Branch2][Ring2][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch2][Ring1][Ring1][=N][C@@H1][C][O][C][=C][C][Branch1][Ring1][C][O][=N][N][Ring1][#Branch1][C][Ring1][O][NH1][Ring2][Ring1][C][C][Ring2][Ring1][#Branch2]
|
S6(=O)(=O)c1cccc(=N[C@@H]2COc3cc8nn3C2)[nH]1.N15CC7C1.CC5C.N67.C8O
|
CC[C@H](C(=O)N1CC[C@H](NC(=O)c2cc(F)n[nH]2)C12CC2)C(C)C
|
CC[C@H]C=O)NCC[C@H]NC=O)cccF)n[nH]5)))))))C5CC3))))))))CC)C
|
[C][C][C@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=N][NH1][Ring1][=Branch1][C][Ring1][=C][C][C][Ring1][Ring1][C][Branch1][C][C][C]
|
CC[C@H](C3=O)C(C)C.N13CC[C@H]5C12CC2.c16cc(F)n[nH]1.C46=O.N45
|
COCc1cn2cc(-c3nc(C4CN(C(=O)OC(C)(C)C)C4)no3)cc(F)c2n1
|
COCccncc-cncCCNC=O)OCC)C)C))))C4))))no5)))))ccF)c6n9
|
[C][O][C][C][=C][N][C][=C][Branch2][Ring1][S][C][=N][C][Branch2][Ring1][=Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][O][=N][O][Ring1][S][C][=C][Branch1][C][F][C][Ring2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2]
|
c19cn2cc%11cc(F)c2n1.c1%11nc%10no1.C1%10CN6C1.C8(C)(C)C.C56=O.CO7.C79.O58
|
CCN(C(=O)[C@H]1CC(C2CC2)=NO1)[C@@H]1CCN(c2ccc(C#N)cn2)C1
|
CCNC=O)[C@H]CCCCC3)))=NO5))))))[C@@H]CCNccccC#N))cn6))))))C5
|
[C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@H1][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][C@@H1][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][Branch2][C][Ring1][=N]
|
[C@H]17CC(C2CC2)=NO1.c15ccc(C#N)cn1.[C@@H]16CCN5C1.N346.C37=O.CC4
|
CCC[C@@H]1CN(C(=O)c2ncccc2NCC2CCC2)CCN1C(=O)[C@H]1C[C@H]1C
|
CCC[C@@H]CNC=O)cncccc6NCCCCC4)))))))))))))CCN6C=O)[C@H]C[C@H]3C
|
[C][C][C][C@@H1][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][Ring2][C][C][N][Ring2][Ring1][Ring2][C][=Branch1][C][=O][C@H1][C][C@H1][Ring1][Ring1][C]
|
[C@@H]19CN3CCN14.c17ncccc16.C1%10CCC1.[C@H]18C[C@H]1C.CCC9.C37=O.C48=O.N56.C5%10
|
CCC[C@H](OCC)C(=O)NC[C@@H]1C[C@@H](C)CN(C(=O)c2nc(Cl)cs2)C1
|
CCC[C@H]OCC)))C=O)NC[C@@H]C[C@@H]C)CNC=O)cncCl)cs5))))))C6
|
[C][C][C][C@H1][Branch1][Ring2][O][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C@@H1][Branch1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][S][Ring1][=Branch1][C][Ring1][#C]
|
[C@@H]19C[C@@H](C)CN4C1.CCC[C@H]5C3=O.c18nc(Cl)cs1.C48=O.O56.C6C.N37.C79
|
CO[C@H](C)CNC(=O)C1(O)CCN(S(=O)(=O)c2cccc3c2OCCO3)CC1
|
CO[C@H]C)CNC=O)CO)CCNS=O)=O)cccccc6OCCO6)))))))))))CC6
|
[C][O][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2]
|
S7(=O)(=O)c1cccc2c1OCCO2.C18(O)CCN7CC1.[C@@H]5(C)C6.C48=O.CO5.N46
|
Cc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)NCc3c(C)cnn3C)C2(C)C)cc1O
|
CccccC=O)N[C@@H]C[C@@H]C=O)NCccC)cnn5C)))))))))C4C)C)))))))cc6O
|
[C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][C][=N][N][Ring1][=Branch1][C][C][Ring1][#C][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch2][O]
|
Cc1ccc9cc1O.[C@@H]17C[C@@H]8C1(C)C.c1%10c(C)cnn1C.C49=O.C58=O.N47.N56.C6%10
|
C[C@]1(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CCCOC2)CCCO1
|
C[C@]C=O)NC[C@@H]O)CNC=O)[C@@H]CCCOC6)))))))))))))CCCO5
|
[C][C@][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][O][C][Ring1][=Branch1][C][C][C][O][Ring2][Ring1][Branch1]
|
C[C@]17CCCO1.[C@@H]18CCCOC1.C5[C@@H](O)C6.C37=O.C48=O.N35.N46
|
Cc1[nH]ccc1C(=O)NC12C[C@H]3C[C@@H](CC(CNC(=O)[C@@]4(C)C[C@@H]4F)(C3)C1)C2
|
Cc[nH]ccc5C=O)NCC[C@H]C[C@@H]CCCNC=O)[C@@]C)C[C@@H]3F)))))))C6)C8)))C6
|
[C][C][NH1][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@H1][C][C@@H1][Branch2][Ring1][=N][C][C][Branch1][S][C][N][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C@@H1][Ring1][Ring2][F][Branch1][Ring2][C][Ring1][#C][C][Ring2][Ring1][C][C][Ring2][Ring1][Ring1]
|
C128C[C@H]3C[C@H](C1)CC%11(C3)C2.Cc1[nH]ccc1%10.[C@]19(C)C[C@@H]1F.C5%10=O.C69=O.N58.C7%11.N67
|
Cc1onc(Br)c1C(=O)NC[C@@H]1C[C@H](NC(=O)c2ccc(O)nc2)C12CCC2
|
CconcBr)c5C=O)NC[C@@H]C[C@H]NC=O)ccccO)nc6))))))))C4CCC4
|
[C][C][O][N][=C][Branch1][C][Br][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][N][=C][Ring1][#Branch1][C][Ring1][=C][C][C][C][Ring1][Ring2]
|
[C@@H]19C[C@H]6C12CCC2.Cc1onc(Br)c17.c18ccc(O)nc1.C37=O.C48=O.N35.C59.N46
|
COc1cccc([C@@H]2C[C@H]2NC(=NCCNS(C)(=O)=O)N[C@H](C)CF)c1
|
COccccc[C@@H]C[C@H]3NC=NCCNSC)=O)=O))))))N[C@H]C)CF)))))))))c6
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][=N][C@@H1][C][C@H1][Ring1][Ring1][N][C][=Branch1][=N][=N][C][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][N][C@H1][Branch1][C][C][C][F][=C][Ring2][Ring1][Branch2]
|
N7C(=NCC4)N5.c13cccc8c1.[C@@H]18C[C@H]17.S6(C)(=O)=O.[C@@H]5(C)CF.CO3.N46
|
CC(C)CCSCC(=O)N[C@@H](CCC1CCC1)C(=O)NCC1(F)CCOCC1
|
CCC)CCSCC=O)N[C@@H]CCCCCC4))))))C=O)NCCF)CCOCC6
|
[C][C][Branch1][C][C][C][C][S][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][Branch1][C][F][C][C][O][C][C][Ring1][#Branch1]
|
[C@H]4(CC8)C3=O.C19(F)CCOCC1.CC(C)CC6.C7C2=O.C18CCC1.S67.N24.N35.C59
|
COC[C@H]1CCN(C(=O)[C@H]2CCC3(CC3)N2C(=O)c2oc(C)cc2C)C1(C)C
|
COC[C@H]CCNC=O)[C@H]CCCCC3))N5C=O)cocC)cc5C)))))))))))))C5C)C
|
[C][O][C][C@H1][C][C][N][Branch2][Ring1][P][C][=Branch1][C][=O][C@H1][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][N][Ring1][#Branch1][C][=Branch1][C][=O][C][O][C][Branch1][C][C][=C][C][=Ring1][=Branch1][C][C][Ring2][Ring1][#Branch1][Branch1][C][C][C]
|
[C@H]19CCN4C1(C)C.[C@H]17CCC2(CC2)N15.c18oc(C)cc1C.C47=O.C58=O.CO6.C69
|
CC1=C(C)C[C@@H](C(=O)N2CCC3(CC2)CN(C(=O)C24CSC(C2)C4)CCO3)CC1
|
CC=CC)C[C@@H]C=O)NCCCCC6))CNC=O)CCSCC5)C5))))))CCO6))))))))))CC6
|
[C][C][=C][Branch1][C][C][C][C@@H1][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][P][C][=Branch1][C][=O][C][C][S][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][=Branch1][C][C][O][Ring1][S][C][C][Ring2][Ring1][N]
|
N15CCC2(CC1)CN6CCO2.CC1=C(C)C[C@@H]7CC1.C128CSC(C1)C2.C57=O.C68=O
|
O=C(O)[C@H]1C[C@H](C2CCCC2)CN1Cc1cc(Cl)cs1
|
O=CO)[C@H]C[C@H]CCCCC5)))))CN5CcccCl)cs5
|
[O][=C][Branch1][C][O][C@H1][C][C@H1][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][N][Ring1][#Branch2][C][C][=C][C][Branch1][C][Cl][=C][S][Ring1][=Branch1]
|
[C@H]14C[C@H](C2CCCC2)CN13.c15cc(Cl)cs1.O=C4O.C35
|
O=C(NC[C@@H]1CCN(C(=O)Cn2ncc3ncccc32)C12CC2)c1nsnc1O
|
O=CNC[C@@H]CCNC=O)Cnnccncccc69)))))))))))C5CC3)))))))))cnsnc5O
|
[O][=C][Branch2][Ring2][Ring1][N][C][C@@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][N][N][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Ring1][P][C][C][Ring1][Ring1][C][=N][S][N][=C][Ring1][Branch1][O]
|
n18ncc2ncccc21.[C@@H]19CCN5C12CC2.c17nsnc1O.C5(=O)C8.O=C47.N46.C69
|
O=C(N[C@H]1CC[C@@H](NC(=O)c2ccc(Cl)c(Cl)c2Cl)C1)c1cnc2[nH]ncc2c1
|
O=CN[C@H]CC[C@@H]NC=O)ccccCl)cCl)c6Cl)))))))))C5))))))ccnc[nH]ncc5c9
|
[O][=C][Branch2][Ring1][S][N][C@H1][C][C][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl][C][Ring1][P][C][=C][N][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]
|
c18ccc(Cl)c(Cl)c1Cl.c17cnc2[nH]ncc2c1.[C@H]15CC[C@@H]6C1.O=C37.C48=O.N35.N46
|
COC1(C(=O)NC(C)C(C)NC(=O)c2c[nH]cc2C)CCC1
|
COCC=O)NCC)CC)NC=O)cc[nH]cc5C))))))))))))CCC4
|
[C][O][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][Ring1][Branch1][C][C][C][C][Ring2][Ring1][Ring2]
|
c19c[nH]cc1C.C158CCC1.C6(C)C7C.C38=O.C49=O.CO5.N36.N47
|
CCCCCC[C@H](C)CC(=O)N(C)[C@@H](C)CNC(=O)c1cc(C)nnc1O
|
CCCCCC[C@H]C)CC=O)NC)[C@@H]C)CNC=O)cccC)nnc6O
|
[C][C][C][C][C][C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][N][=C][Ring1][#Branch1][O]
|
CCCCCC[C@H](C)CC2=O.c16cc(C)nnc1O.[C@H]4(C)C5.N24C.C36=O.N35
|
CC[C@H](C)n1cc(-c2cn(CC(=O)NCCC3CCN(C)CC3)nn2)cn1
|
CC[C@H]C)ncc-ccnCC=O)NCCCCCNC)CC6)))))))))))nn5)))))cn5
|
[C][C][C@H1][Branch1][C][C][N][C][=C][Branch2][Ring1][#C][C][=C][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][N][=N][Ring2][Ring1][C][C][=N][Ring2][Ring1][#Branch1]
|
C18CCN(C)CC1.n16cc9cn1.c19cn7nn1.CC[C@@H]6C.C7C4=O.C5C8.N45
|
CC(F)(F)C(=O)NC[C@@]1(C)CCCN(C(=O)Cc2cc(C(F)(F)F)n[nH]2)C1
|
CCF)F)C=O)NC[C@@]C)CCCNC=O)CcccCF)F)F))n[nH]5)))))))C6
|
[C][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][NH1][Ring1][=Branch2][C][Ring2][Ring1][Ring1]
|
[C@]18(C)CCCN4C1.CC(F)(F)C3=O.c16cc7n[nH]1.C4(=O)C6.C7(F)(F)F.N35.C58
|
CCC(C)(C)C(=O)N1CCC2(CC1)C[C@H]2CNC(=O)[C@@H](C)Cc1ccccn1
|
CCCC)C)C=O)NCCCCC6))C[C@H]3CNC=O)[C@@H]C)Ccccccn6
|
[C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1]
|
N13CCC2(CC1)C[C@H]27.CCC(C)(C)C3=O.C4(=O)[C@@H](C)C6.c16ccccn1.C57.N45
|
Cc1ccc(F)cc1C(=O)N(C)CCC1CCN(C(=O)c2cc(C#N)c[nH]2)CC1
|
CccccF)cc6C=O)NC)CCCCCNC=O)cccC#N))c[nH]5))))))CC6
|
[C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][#N][=C][NH1][Ring1][#Branch1][C][C][Ring1][#C]
|
Cc1ccc(F)cc17.C18CCN4CC1.c16cc(C#N)c[nH]1.C37=O.N35C.C5C8.C46=O
|
O=C(NCC1(O)CN(C(=O)c2cccc3cncn23)C1)c1ccn(CCF)n1
|
O=CNCCO)CNC=O)ccccccncn95))))))))))C4))))))cccnCCF)))n5
|
[O][=C][Branch2][Ring1][S][N][C][C][Branch1][C][O][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][N][Ring1][=Branch2][Ring1][Branch1][C][Ring1][S][C][C][=C][N][Branch1][Ring2][C][C][F][N][=Ring1][Branch2]
|
c18cccc2cncn12.C1%10(O)CN5C1.c17ccn9n1.O=C47.C58=O.C9CF.N46.C6%10
|
Cn1c(S)nnc1C(=O)N1CC[C@@]2(C=C(C(=O)NC[C@H]3CC34CCC4)C2)C1
|
CncS)nnc5C=O)NCC[C@@]C=CC=O)NC[C@H]CC3CCC4)))))))))C4)))C5
|
[C][N][C][Branch1][C][S][=N][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C@@][Branch2][Ring1][Branch2][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C@H1][C][C][Ring1][Ring1][C][C][C][Ring1][Ring2][C][Ring1][=C][C][Ring2][Ring1][C]
|
N15CC[C@@]2(C=C(C6=O)C2)C1.Cn1c8nnc1S.[C@H]19CC12CCC2.C58=O.N67.C79
|
CN=c1[nH]cc(C(=O)N[C@@H]2[C@@H]3CC[C@H]2N(C(=O)[C@@H]2CCCC2(C)C)C3)s1
|
CN=c[nH]ccC=O)N[C@@H][C@@H]CC[C@H]5NC=O)[C@@H]CCCC5C)C)))))))C6)))))))))s5
|
[C][N][=C][NH1][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@@H1][C@@H1][C][C][C@H1][Ring1][Branch1][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C][C][C][C][Ring1][Branch1][Branch1][C][C][C][C][Ring1][#C][S][Ring2][Ring1][Branch2]
|
[C@@H]16[C@@H]2CC[C@H]1N5C2.CN=c1[nH]cc7s1.[C@@H]18CCCC1(C)C.C47=O.C58=O.N46
|
Cn1cnc(C(=O)NCC23CC(NC(=O)CC(C)(C)C(F)(F)F)(CO2)C3)c1
|
CncncC=O)NCCCCNC=O)CCC)C)CF)F)F))))))CO5))C4)))))))c5
|
[C][N][C][=N][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F][Branch1][Branch1][C][O][Ring1][S][C][Ring1][P][=C][Ring2][Ring1][#Branch2]
|
C5(=O)CC(C)(C)C(F)(F)F.C129CC7(CO1)C2.Cn1cnc8c1.C48=O.N46.C69.N57
|
CCNc1cncc(C(=O)N2CC(CNC(=O)c3ccc(F)s3)(C(C)(C)O)C2)c1
|
CCNccnccC=O)NCCCNC=O)ccccF)s5))))))))CC)C)O))C4)))))c6
|
[C][C][N][C][=C][N][=C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][S][Ring1][=Branch1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C][Ring2][Ring1][C][=C][Ring2][Ring1][#Branch2]
|
c18cncc%10c1.N14CC%11%12C1.c19ccc(F)s1.C%12(C)(C)O.C4%10=O.C59=O.CC6.N68.C7%11.N57
|
COc1cccc([C@@H](CF)NC(=O)C(=O)N[C@@H](c2ccccc2C)C(C)(C)C)c1
|
COccccc[C@@H]CF))NC=O)C=O)N[C@@H]cccccc6C)))))))CC)C)C))))))))c6
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][Ring2][C@@H1][Branch1][Ring1][C][F][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][O]
|
c15cccc8c1.c19ccccc1C.[C@H]79C(C)(C)C.C3(=O)C4=O.[C@H]68CF.CO5.N36.N47
|
O=C(NC1([C@H](O)CO)CC1)[C@@H]1CCCCN1C(=O)[C@@H]1CCCC2(CC2)C1
|
O=CNC[C@H]O)CO)))CC3))))[C@@H]CCCCN6C=O)[C@@H]CCCCCC3))C6
|
[O][=C][Branch1][#C][N][C][Branch1][#Branch1][C@H1][Branch1][C][O][C][O][C][C][Ring1][#Branch1][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][Branch2]
|
[C@@H]17CCCC2(CC2)C1.[C@@H]16CCCCN14.C158CC1.[C@@H]8(O)CO.O=C36.C47=O.N35
|
CC=C(C)C(=O)N[C@@H]1CC[C@H](N=c2cc(C)nc([C@H](C)CC)[nH]2)c2ccccc21
|
CC=CC)C=O)N[C@@H]CC[C@H]N=cccC)nc[C@H]C)CC)))[nH]6)))))))cccccc6%10
|
[C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Branch2][Ring1][Branch1][N][=C][C][=C][Branch1][C][C][N][=C][Branch1][#Branch1][C@H1][Branch1][C][C][C][C][NH1][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1]
|
N3[C@@H]1CC[C@H](N=c2cc(C)nc5[nH]2)c2ccccc21.C=4(C)C3=O.[C@@H]5(C)CC.CC=4
|
C=CCC1(NC(=O)c2cc(C)c(F)cc2F)CCN(C(=O)c2cnccn2)CC1
|
C=CCCNC=O)cccC)cF)cc6F)))))))))CCNC=O)ccnccn6)))))))CC6
|
[C][=C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch2]
|
c17cc(C)c(F)cc1F.C158CCN4CC1.c16cnccn1.C=CC8.C37=O.C46=O.N35
|
CCc1cc(C(=O)N2CC[C@@](N=[N+]=[N-])(C(=O)NC[C@](C)(CO)COC)C2)n[nH]1
|
CCcccC=O)NCC[C@@]N=[N+]=[N-])))C=O)NC[C@]C)CO))COC)))))))C5))))))n[nH]5
|
[C][C][C][=C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C@@][Branch1][Ring2][N][=N+1][=N-1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][Branch1][Ring1][C][O][C][O][C][C][Ring2][Ring1][Ring1][=N][NH1][Ring2][Ring1][#Branch2]
|
N13CC[C@]8(N=[N+]=[N-])C1.C6[C@@](C)(C5)CO.c19cc7n[nH]1.C37=O.C48=O.CC9.N46.O5C
|
CCc1ccc(C(=O)N2CC[C@H](C)[C@H](CC(=O)NCCCC(C)(C)C)C2)nc1
|
CCccccC=O)NCC[C@H]C)[C@H]CC=O)NCCCCC)C)C))))))))C6)))))))nc6
|
[C][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][C][N][=C][Ring2][Ring1][#Branch2]
|
N13CC[C@H](C)[C@H]7C1.c18ccc6nc1.C5CCC(C)(C)C.C7C4=O.C36=O.CC8.N45
|
Cn1ccc(C(=O)N2CCSC[C@@H]2CCNC(=O)CC2(O)CCOCC2)cc1=O
|
CncccC=O)NCCSC[C@@H]6CCNC=O)CCO)CCOCC6))))))))))))))))))cc6=O
|
[C][N][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][S][C][C@@H1][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][C][O][C][C][Ring1][#Branch1][=C][C][Ring2][Ring1][O][=O]
|
Cn1ccc6cc1=O.N13CCSC[C@@H]17.C18(O)CCOCC1.C4(=O)C8.C36=O.C7C5.N45
|
CCC[C@H]1CC[C@H](C(=O)N2C[C@H]3C[C@@H](NC(=O)CCC(CC)CC)C[C@@H]2C3)CC1
|
CCC[C@H]CC[C@H]C=O)NC[C@H]C[C@@H]NC=O)CCCCC))CC)))))))C[C@@H]7C6)))))))))CC6
|
[C][C][C][C@H1][C][C][C@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][Branch1][Ring1][C][C][C][C][C][C@@H1][Ring1][P][C][Ring1][S][C][C][Ring2][Ring1][#Branch2]
|
N14C[C@H]2C[C@@H]6C[C@@H]1C2.C5(=O)CCC(CC)CC.[C@H]18CC[C@H]7CC1.CCC8.C47=O.N56
|
O=C(NCc1cc(O)n[nH]1)C1(n2cc(COCCOCCO)nn2)CCOCC1
|
O=CNCcccO)n[nH]5)))))))CnccCOCCOCCO))))))))nn5)))))CCOCC6
|
[O][=C][Branch1][=N][N][C][C][=C][C][Branch1][C][O][=N][NH1][Ring1][=Branch1][C][Branch2][Ring1][C][N][C][=C][Branch1][=Branch2][C][O][C][C][O][C][C][O][N][=N][Ring1][=N][C][C][O][C][C][Ring2][Ring1][Ring1]
|
C1%104CCOCC1.c1%11cc(O)n[nH]1.n14cc%12nn1.O=C3%10.C6C7.C8CO.N39.C9%11.C5%12.O56.O78
|
CC(C)n1cnc(C(=O)N[C@H](C)CN2CCN(C(=O)[C@H]3CN(C)C(=O)N3)CC2)n1
|
CCC)ncncC=O)N[C@H]C)CNCCNC=O)[C@H]CNC)C=O)N5))))))CC6))))))))))n5
|
[C][C][Branch1][C][C][N][C][=N][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][C][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][Ring1][#C][=N][Ring2][Ring1][#Branch2]
|
N17CCN5CC1.[C@H]18CN(C)C(=O)N1.n1%10cnc9n1.[C@@H]6(C)C7.CC%10C.C49=O.C58=O.N46
|
CC(C)[C@H](C)CC(=O)N1CCC(CN(C)C(=O)[C@H]2CC3(CCOCC3)CO2)CC1
|
CCC)[C@H]C)CC=O)NCCCCNC)C=O)[C@H]CCCCOCC6)))))CO5))))))))CC6
|
[C][C][Branch1][C][C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][C][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][O][Ring1][#Branch2][C][C][Ring2][Ring1][Branch1]
|
[C@H]17CC2(CCOCC2)CO1.CC(C)[C@H](C)CC4=O.N14CCC8CC1.N56C.C57=O.C68
|
O=C([C@@H](O)c1cccc(F)c1)N1CC(CO)(NC(=O)C23CCC(C2)C3)C1
|
O=C[C@@H]O)cccccF)c6)))))))NCCCO))NC=O)CCCCC5)C5)))))))C4
|
[O][=C][Branch1][S][C@@H1][Branch1][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][Branch1][Ring1][C][O][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][=Branch1][C][Ring1][#C]
|
c19cccc(F)c1.N14CC68C1.C127CCC(C1)C2.O=C4[C@H]9O.C57=O.C8O.N56
|
Cc1ccc(C(=O)N2CCCO[C@@H](CNC(=O)c3sccc3Cl)C2)c(F)c1C
|
CccccC=O)NCCCO[C@@H]CNC=O)csccc5Cl)))))))))C7))))))))cF)c6C
|
[C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][O][C@@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][Cl][C][Ring1][P][C][Branch1][C][F][=C][Ring2][Ring1][#Branch2][C]
|
Cc1ccc8c(F)c1C.N14CCCO[C@@H]9C1.c17sccc1Cl.C48=O.C57=O.C69.N56
|
CC[C@H](CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccc(Cl)c(N)c2Cl)C1)C(C)(C)C
|
CC[C@H]CC=O)NC[C@H]CC[C@@H]NC=O)ccccCl)cN)c6Cl)))))))))C5)))))))))CC)C)C
|
[C][C][C@H1][Branch2][Ring2][=Branch1][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][N][=C][Ring1][Branch2][Cl][C][Ring1][P][C][Branch1][C][C][Branch1][C][C][C]
|
CC[C@H](CC3=O)C(C)(C)C.c17ccc(Cl)c(N)c1Cl.[C@H]18CC[C@@H]6C1.C47=O.N35.C58.N46
|
CCCc1ccc(NC(=O)[C@H]2CN(C(=O)[C@H]3CCCO3)C3(CCC3)C2)cc1
|
CCCccccNC=O)[C@H]CNC=O)[C@H]CCCO5))))))CCCC4)))C5)))))))cc6
|
[C][C][C][C][=C][C][=C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C@H1][C][N][Branch1][N][C][=Branch1][C][=O][C@H1][C][C][C][O][Ring1][Branch1][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2]
|
[C@H]18CN5C2(CCC2)C1.c19ccc6cc1.[C@H]17CCCO1.CCC9.C48=O.C57=O.N46
|
CC[C@H]1CN(c2cc(C)ncn2)CCN1Cc1cnn(C(C)C)c1
|
CC[C@H]CNcccC)ncn6))))))CCN6CccnnCC)C))c5
|
[C][C][C@H1][C][N][Branch1][N][C][=C][C][Branch1][C][C][=N][C][=N][Ring1][#Branch1][C][C][N][Ring1][=N][C][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring1][Branch2]
|
[C@H]16CN4CCN13.c14cc(C)ncn1.c17cnn5c1.C5(C)C.CC6.C37
|
Cc1nc(C)n(O)c1C(=O)NC[C@H](F)CNC(=O)c1ccccc1OC1CCC1
|
CcncC)nO)c5C=O)NC[C@H]F)CNC=O)cccccc6OCCCC4
|
[C][C][N][=C][Branch1][C][C][N][Branch1][C][O][C][=Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][F][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][Ring1][Ring2]
|
Cc1nc(C)n(O)c18.c19ccccc15.C6[C@H](F)C7.C14CCC1.C28=O.C39=O.N26.N37.O45
|
C#CC[C@H](O)C(=O)N1CCC[C@H]1CNC(=O)c1nn(C)cc1S(C)(=O)=O
|
C#CC[C@H]O)C=O)NCCC[C@H]5CNC=O)cnnC)cc5SC)=O)=O
|
[C][#C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O]
|
c15nn(C)cc1S(C)(=O)=O.C#CC[C@H](O)C2=O.N12CCC[C@H]16.C35=O.C46.N34
|
CCO/C=C/C(=O)N1CC[C@H]2CN(C(=O)c3cc(C(F)(F)F)ncc3Br)C[C@H]21
|
CCO/C=C/C=O)NCC[C@H]CNC=O)cccCF)F)F))ncc6Br))))))))C[C@H]58
|
[C][C][O][/C][=C][/C][=Branch1][C][=O][N][C][C][C@H1][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][Ring1][#Branch2][Br][C][C@H1][Ring2][Ring1][C][Ring2][Ring1][Branch1]
|
N14CC[C@H]2CN5C[C@H]21.c17cc8ncc1Br.O6/C=C/C4=O.C8(F)(F)F.C57=O.CC6
|
O=C(Nc1ccc(F)cc1)[C@H](c1nc2ccccc2s1)N1CCN2CCC1CC2
|
O=CNccccF)cc6)))))))[C@H]cncccccc6s9)))))))))NCCNCCC7CC6
|
[O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@H1][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][N][C][C][N][C][C][C][Ring1][#Branch1][C][C][Ring1][=Branch1]
|
c16nc2ccccc2s1.N14CCN2CCC1CC2.c15ccc(F)cc1.O=C3[C@@H]46.N35
|
CCc1cnc(CC(=O)N2CCN(C(=O)c3n[nH]cc3Br)[C@H](C)C[C@H]2C)[nH]1
|
CCccncCC=O)NCCNC=O)cn[nH]cc5Br)))))))[C@H]C)C[C@H]7C))))))))))[nH]5
|
[C][C][C][=C][N][=C][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][Br][C@H1][Branch1][C][C][C][C@H1][Ring1][S][C][NH1][Ring2][Ring1][=Branch2]
|
N14CCN5[C@H](C)C[C@H]1C.c17cnc8[nH]1.c16n[nH]cc1Br.C8C4=O.C56=O.CC7
|
CN(C(=O)CCF)[C@H]1CCC[C@H](NC(=O)c2ccc3c(n2)CCC3=O)C1
|
CNC=O)CCF))))[C@H]CCC[C@H]NC=O)cccccn6)CCC5=O)))))))))))C6
|
[C][N][Branch1][Branch2][C][=Branch1][C][=O][C][C][F][C@H1][C][C][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][C][Ring1][=Branch1][=O][C][Ring2][Ring1][Ring1]
|
c18ccc2c(n1)CCC2=O.[C@H]16CCC[C@H]7C1.C4(=O)CCF.CN46.C58=O.N57
|
CCO[C@@H]1COC[C@H]1NC(=O)[C@@H](C)NC(=O)c1cccc2c[nH]nc12
|
CCO[C@@H]COC[C@H]5NC=O)[C@@H]C)NC=O)cccccc[nH]nc95
|
[C][C][O][C@@H1][C][O][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][NH1][N][=C][Ring1][=Branch2][Ring1][Branch1]
|
c19cccc2c[nH]nc12.[C@@H]16COC[C@H]18.C3(=O)[C@H]7C.C49=O.CC5.O56.N38.N47
|
C#C[C@H]1[C@H](C(=O)N2C[C@H](NC(=O)c3nccc(OC)c3OC)C(C)(C)C2)C1(C)C
|
C#C[C@H][C@H]C=O)NC[C@H]NC=O)cncccOC))c6OC))))))))))CC)C)C5))))))C3C)C
|
[C][#C][C@H1][C@H1][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring2][C][Ring2][Ring1][=Branch2][Branch1][C][C][C]
|
N14C[C@H]8C(C)(C)C1.c19nccc6c17.C#C[C@H]1[C@H]%10C1(C)C.C4%10=O.C59=O.N58.O6C.O7C
|
COc1ccc(NC(=O)[C@H]2CC(C)(C)CN2C(=O)CP(C)(C)=O)cc1C
|
COccccNC=O)[C@H]CCC)C)CN5C=O)CPC)C)=O)))))))))))cc6C
|
[C][O][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@H1][C][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][P][Branch1][C][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][#Branch1][C]
|
c15ccc6cc1C.[C@H]17CC(C)(C)CN14.C4(=O)CP(C)(C)=O.C37=O.CO5.N36
|
C[C@]1(CNC(=O)CC2=Cc3ccccc3C2)CN(C(=O)[C@@H]2CSCCS2)CCO1
|
C[C@]CNC=O)CC=Ccccccc6C9)))))))))))))CNC=O)[C@@H]CSCCS6)))))))CCO6
|
[C][C@][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][N][Branch1][=N][C][=Branch1][C][=O][C@@H1][C][S][C][C][S][Ring1][=Branch1][C][C][O][Ring2][Ring1][N]
|
C4(=O)CC1=Cc2ccccc2C1.C[C@]18CN5CCO1.[C@@H]17CSCCS1.C57=O.C68.N46
|
Cc1[nH]nc(C(=O)N[C@H]2CC[C@H](NC(=O)[C@H]3CCC[C@@H]4CCCN43)CC2)c1N
|
Cc[nH]ncC=O)N[C@H]CC[C@H]NC=O)[C@H]CCC[C@@H]CCCN59)))))))))))CC6))))))))c5N
|
[C][C][NH1][N][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@H1][C][C][C][C@@H1][C][C][C][N][Ring1][Branch1][Ring1][=Branch2][C][C][Ring2][Ring1][C][C][=Ring2][Ring1][#Branch2][N]
|
[C@H]19CCC[C@@H]2CCCN21.Cc1[nH]nc%10c1N.[C@H]17CC[C@H]8CC1.C5%10=O.C69=O.N57.N68
|
CCCC[C@H](CNC(=O)[C@@H]1CCC[C@@H]1c1nc[nH]n1)NC(=O)Cc1cncn1C
|
CCCC[C@H]CNC=O)[C@@H]CCC[C@@H]5cnc[nH]n5)))))))))))))NC=O)Cccncn5C
|
[C][C][C][C][C@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][C@@H1][Ring1][Branch1][C][N][=C][NH1][N][=Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][N][=C][N][Ring1][Branch1][C]
|
CCCC[C@@H]4C5.[C@@H]16CCC[C@@H]18.c17cncn1C.c18nc[nH]n1.C3(=O)C7.C26=O.N25.N34
|
COCCC1(C(=O)N(C)CCCNC(=O)c2cc(Br)cnc2S)CC1
|
COCCCC=O)NC)CCCNC=O)cccBr)cnc6S))))))))))))))CC3
|
[C][O][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][S][C][C][Ring2][Ring1][Branch1]
|
c19cc(Br)cnc1S.C18%10CC1.C6CC7.C5C%10.C38=O.N36C.C49=O.CO5.N47
|
C[C@@H](NC(=O)C[C@@H]1COCCN1Cc1ccc(C(=O)O)s1)c1ccncc1
|
C[C@@H]NC=O)C[C@@H]COCCN6CccccC=O)O))s5)))))))))))))))cccncc6
|
[C][C@@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][S][Ring1][Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
[C@@H]16COCCN14.c17ccc5s1.c18ccncc1.C2(=O)C6.C[C@@H]38.C5(=O)O.N23.C47
|
CC(C)(C)CNC(=O)c1c[nH]nc1[C@H]1CCCCN1C(=O)COC[C@@H]1CCOC1
|
CCC)C)CNC=O)cc[nH]nc5[C@H]CCCCN6C=O)COC[C@@H]CCOC5
|
[C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][C@@H1][C][C][O][C][Ring1][Branch1]
|
[C@H]19CCCCN13.c17c[nH]nc19.CC(C)(C)C6.[C@@H]18CCOC1.C3(=O)C4.C27=O.N26.O45.C58
|
COCCN=C(NC[C@@H](F)COC)NC1CCN(S(C)(=O)=O)CC1
|
COCCN=CNC[C@@H]F)COC))))))NCCCNSC)=O)=O))CC6
|
[C][O][C][C][N][=C][Branch1][#Branch2][N][C][C@@H1][Branch1][C][F][C][O][C][N][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2]
|
C2CN=C(N4)N6.C16CCN5CC1.C4[C@@H](F)C3.S5(C)(=O)=O.CO2.O3C
|
CCOC(=O)CCNC(=O)[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]2C)C[C@H]1CC
|
CCOC=O)CCNC=O)[C@@H]CNC=O)[C@@H]CC[C@@H]4C))))))C[C@H]5CC
|
[C][C][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C@@H1][C][N][Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C@@H1][Ring1][Ring2][C][C][C@H1][Ring1][N][C][C]
|
[C@@H]18CN5C[C@H]1%10.C3(=O)CC7.[C@@H]19CC[C@@H]1C.C48=O.C59=O.CC6.O36.N47.C%10C
|
C[C@H](C(=O)NC[C@@H]1CN(C(=O)c2ccc3nn[nH]c3n2)CCO1)[C@@H]1CCCO1
|
C[C@H]C=O)NC[C@@H]CNC=O)ccccnn[nH]c5n9))))))))))CCO6)))))))))[C@@H]CCCO5
|
[C][C@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][N][=N][NH1][C][Ring1][Branch1][=N][Ring1][=Branch2][C][C][O][Ring1][P][C@@H1][C][C][C][O][Ring1][Branch1]
|
c17ccc2nn[nH]c2n1.[C@@H]19CN5CCO1.C[C@@H]8C4=O.[C@@H]18CCCO1.C57=O.N46.C69
|
CS[C@H](CO)[C@H](C)NS(=O)(=O)c1cccc(=NCc2cc(C)ccc2C2CC2)[nH]1
|
CS[C@H]CO))[C@H]C)NS=O)=O)ccccc=NCcccC)ccc6CCC3)))))))))))[nH]6
|
[C][S][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch2][Ring1][Ring1][=N][C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1][NH1][Ring2][Ring1][C]
|
S5(=O)(=O)c1cccc(=NC6)[nH]1.c16cc(C)ccc17.[C@@H]4(CO)[C@@H]3C.C17CC1.CS4.N35
|
COC(=O)NCC(=O)N[C@@H](C)[C@H](C)NC(=O)CN(C)c1cnccn1
|
COC=O)NCC=O)N[C@@H]C)[C@H]C)NC=O)CNC)ccnccn6
|
[C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=C][N][=C][C][=N][Ring1][=Branch1]
|
c1%10cnccn1.[C@H]7(C)[C@@H]8C.C6C4=O.C5(=O)C9.C23=O.N9%10C.CO2.N36.N47.N58
|
CC(C)(CNC(=O)C[C@@H](O)C1CCCC1)CC(=O)Nc1cccc(F)c1O
|
CCC)CNC=O)C[C@@H]O)CCCCC5))))))))))CC=O)NcccccF)c6O
|
[C][C][Branch1][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][O][C][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O]
|
CC(C)(C4)CC3=O.c15cccc(F)c1O.C2(=O)C[C@H]6O.C16CCCC1.N24.N35
|
C=C[C@@H]1CCN(C(=O)c2n[nH]c3c2CN(C(=O)Cc2ccnn2C)C3)C1
|
C=C[C@@H]CCNC=O)cn[nH]cc5CNC=O)Ccccnn5C))))))))C5)))))))))C5
|
[C][=C][C@@H1][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=N][N][Ring1][Branch1][C][C][Ring1][=C][C][Ring2][Ring1][Branch2]
|
c16n[nH]c2c1CN5C2.C=C[C@@H]1CCN4C1.c17ccnn1C.C5(=O)C7.C46=O
|
CCC1=NO[C@H](C(=O)N[C@H]2CCCC[C@H]2NC(=O)C23CC(CF)(CO2)C3)C1
|
CCC=NO[C@H]C=O)N[C@H]CCCC[C@H]6NC=O)CCCCF))CO5))C4))))))))))))))C5
|
[C][C][C][=N][O][C@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][Branch1][Ring1][C][F][Branch1][Branch1][C][O][Ring1][#Branch1][C][Ring1][Branch2][C][Ring2][Ring1][=Branch2]
|
CCC1=NO[C@H]8C1.[C@H]16CCCC[C@H]17.C129CC%10(CO1)C2.C48=O.C59=O.N46.N57.C%10F
|
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