SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
COCCCNC(=O)[C@H]([C@H](OC)C1CC1)N(C)Cc1c(F)cccc1Br
|
COCCCNC=O)[C@H][C@H]OC))CCC3))))NC)CccF)cccc6Br
|
[C][O][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][O][C@H1][Branch1][Ring1][O][C][C][C][C][Ring1][Ring1][N][Branch1][C][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Br]
|
c19c(F)cccc1Br.C2(=O)[C@@H]6[C@H]48.C3CC5.C18CC1.N67C.CO3.N25.O4C.C79
|
CC(C)(C)O[C@H]1C[C@H](CNC(=O)CCOc2cccc(C(N)=O)c2)C12CCC2
|
CCC)C)O[C@H]C[C@H]CNC=O)CCOcccccCN)=O))c6))))))))))))C4CCC4
|
[C][C][Branch1][C][C][Branch1][C][C][O][C@H1][C][C@H1][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][C][Ring2][Ring1][Ring2][C][C][C][Ring1][Ring2]
|
[C@H]16C[C@H]%10C12CCC2.c17cccc9c1.C3(=O)CC5.CC4(C)C.C9(N)=O.O46.C8%10.N38.O57
|
COCCC(=O)NCCCCCCN(C)C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1
|
COCCC=O)NCCCCCCNC)C=O)[C@@H]C)OccccCl)cCl)c6
|
[C][O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
c16ccc(Cl)c(Cl)c1.C7CCCCC8.C4CC2=O.C3(=O)[C@H]5C.N38C.CO4.N27.O56
|
CS(C)(=O)=Nc1ccc(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@@H]3F)C2)cc1
|
CSC)=O)=NccccC=O)N[C@H]CC[C@H]NC=O)[C@@H]C[C@@H]3F))))))C5)))))))cc6
|
[C][S][Branch1][C][C][=Branch1][C][=O][=N][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Branch1][N][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Ring1][Ring1][F][C][Ring1][N][C][=C][Ring2][Ring1][Branch1]
|
CS(C)(=O)=Nc1ccc9cc1.[C@H]16CC[C@H]7C1.[C@@H]18C[C@@H]1F.C49=O.C58=O.N46.N57
|
Cc1cocc1C(=O)N1CCN(C(=O)Cc2cnnn2C)[C@H](C(C)C)C1
|
Cccocc5C=O)NCCNC=O)Cccnnn5C))))))))[C@H]CC)C))C6
|
[C][C][=C][O][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][N][=N][N][Ring1][Branch1][C][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][C]
|
N13CCN4[C@H]6C1.Cc1cocc15.c17cnnn1C.C4(=O)C7.C35=O.C6(C)C
|
Cc1csc2ccc(CN=c3nc4c(ncn4C)c(NCCOC(=N)O)[nH]3)cc12
|
CccsccccCN=cnccncn5C))))cNCCOC=N)O))))))[nH]6))))))))cc96
|
[C][C][=C][S][C][=C][C][=C][Branch2][Ring1][=C][C][N][=C][N][=C][C][Branch1][#Branch1][N][=C][N][Ring1][Branch1][C][=C][Branch1][#Branch2][N][C][C][O][C][=Branch1][C][=N][O][NH1][Ring1][P][C][=C][Ring2][Ring1][N][Ring2][Ring1][=Branch2]
|
C8N=c1nc2c(ncn2C)c7[nH]1.Cc1csc2ccc8cc12.O5C(=N)O.C6C5.N67
|
COCc1nn(C)c(Cl)c1C(=O)NC[C@](C)(O)CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2
|
COCcnnC)cCl)c5C=O)NC[C@]C)O)CNC=O)[C@@H]C[C@@H]C=C[C@H]6C5
|
[C][O][C][C][=N][N][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][=C][C@H1][Ring1][=Branch1][C][Ring1][Branch1]
|
c1%10nn(C)c(Cl)c19.[C@@H]18C[C@@H]2C=C[C@H]1C2.C6[C@](C)(O)C7.C39=O.C48=O.CO5.C5%10.N36.N47
|
O=c1c2ccc(-c3nc(-c4cccnc4C4CC4)no3)cc2nc2n1CCC2
|
O=ccccc-cnc-ccccnc6CCC3)))))))))no5)))))cc6ncn%10CCC5
|
[O][=C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2][N][=C][N][Ring2][Ring1][Branch2][C][C][C][Ring1][Branch1]
|
O=c1c2ccc6cc2nc2n1CCC2.c17cccnc15.c16nc7no1.C15CC1
|
CCCN(CCNC(=O)C(C)(C)CSC)C(=O)c1nn(C)c(C)c1[N+](=O)[O-]
|
CCCNCCNC=O)CC)C)CSC))))))))C=O)cnnC)cC)c5[N+]=O)[O-]
|
[C][C][C][N][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][S][C][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1]
|
c18nn(C)c(C)c1[N+](=O)[O-].C2(=O)C(C)(C)C7.CCC4.N345.C5C6.C38=O.N26.S7C
|
CCn1cccc1C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CC[C@@H](O)C2)C1
|
CCncccc5C=O)NC[C@H]CCNC=O)[C@@H]CC[C@@H]O)C5))))))C5
|
[C][C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@@H1][C][C][C@@H1][Branch1][C][O][C][Ring1][=Branch1][C][Ring1][=N]
|
n18cccc16.[C@H]19CCN4C1.[C@@H]17CC[C@@H](O)C1.C36=O.C47=O.CC8.N35.C59
|
N[C@H](C(=O)N1CC[C@@H](CC(=O)NCC[C@@H]2C[C@@H]3C=C[C@H]2C3)C1)c1cccnc1
|
N[C@H]C=O)NCC[C@@H]CC=O)NCC[C@@H]C[C@@H]C=C[C@H]6C5))))))))))))C5))))))ccccnc6
|
[N][C@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][C@@H1][C][C@@H1][C][=C][C@H1][Ring1][=Branch1][C][Ring1][Branch1][C][Ring2][Ring1][C][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
[C@@H]18C[C@@H]2C=C[C@H]1C2.N14CC[C@@H]7C1.c19cccnc1.N[C@@H]9C4=O.C7C5=O.C6C8.N56
|
CN(CCNC(=O)C1=NO[C@@H]2COC[C@H]12)C(=O)C1([C@@H]2CCCCO2)CC1
|
CNCCNC=O)C=NO[C@@H]COC[C@H]85))))))))))))C=O)C[C@@H]CCCCO6))))))CC3
|
[C][N][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][=N][O][C@@H1][C][O][C][C@H1][Ring1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][=Branch2][C@@H1][C][C][C][C][O][Ring1][=Branch1][C][C][Ring1][=Branch2]
|
C3(=O)C1=NO[C@@H]2COC[C@H]12.[C@@H]18CCCCO1.C178CC1.CN45.C5C6.C47=O.N36
|
C[C@H]1CCc2[nH]nc(C(=O)NCCCCN(C)C(=O)CC[C@H]3CC3(Cl)Cl)c2C1
|
C[C@H]CCc[nH]ncC=O)NCCCCNC)C=O)CC[C@H]CC3Cl)Cl))))))))))))))c5C9
|
[C][C@H1][C][C][C][NH1][N][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C@H1][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][C][=Ring2][Ring1][#Branch1][C][Ring2][Ring1][O]
|
C[C@H]1CCc2[nH]nc8c2C1.C6CCC7.C5(=O)CC9.[C@H]19CC1(Cl)Cl.C48=O.N57C.N46
|
CN(C1CC1)[C@H](CC(=O)N1CCC[C@@H](NC(=O)CCCS(N)(=O)=O)C1)C(F)(F)F
|
CNCCC3)))[C@H]CC=O)NCCC[C@@H]NC=O)CCCSN)=O)=O)))))))C6))))))))CF)F)F
|
[C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C@H1][Branch2][Ring1][S][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][C][C][S][Branch1][C][N][=Branch1][C][=O][=O][C][Ring1][S][C][Branch1][C][F][Branch1][C][F][F]
|
[C@@H]4(CC2=O)C(F)(F)F.C3(=O)CCCS(N)(=O)=O.N12CCC[C@@H]6C1.CN45.C15CC1.N36
|
Cc1cc(C(=O)N2C[C@H](CNC(=O)c3ncn4c3CCCCC4)[C@@H](C)C2)n(C)n1
|
CcccC=O)NC[C@H]CNC=O)cncnc5CCCCC7)))))))))))))[C@@H]C)C5))))))nC)n5
|
[C][C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][N][=C][N][C][=Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][C@@H1][Branch1][C][C][C][Ring2][Ring1][Ring2][N][Branch1][C][C][N][=Ring2][Ring1][N]
|
c19ncn2c1CCCCC2.Cc1cc8n(C)n1.N15C[C@H]%10[C@@H](C)C1.C58=O.C69=O.C7%10.N67
|
C[C@@H]1C[C@@]2(C(=O)N3CCn4ncc(CNC(=O)c5cccc(CO)c5)c4C3)C[C@@H]12
|
C[C@@H]C[C@@]C=O)NCCnnccCNC=O)cccccCO))c6)))))))))c5C9))))))))))C[C@@H]53
|
[C][C@@H1][C][C@@][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][N][N][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][=C][Ring1][P][C][Ring2][Ring1][Branch1][C][C@@H1][Ring2][Ring1][N][Ring2][Ring1][#Branch2]
|
N16CCn2ncc%11c2C1.c1%10cccc%12c1.C[C@@H]1C[C@@]29C[C@@H]12.C69=O.C7%10=O.C8%11.N78.C%12O
|
CC[C@H]1[C@H](NC(=O)c2cnc(Cl)cc2N)CCCN1C(=O)[C@@H]1CC2(CC2)CN1C
|
CC[C@H][C@H]NC=O)ccncCl)cc6N)))))))))CCCN6C=O)[C@@H]CCCC3))CN5C
|
[C][C][C@H1][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][N][Ring1][P][C][=Branch1][C][=O][C@@H1][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][N][Ring1][#Branch1][C]
|
[C@H]18[C@H]5CCCN14.c17cnc(Cl)cc1N.[C@@H]16CC2(CC2)CN1C.C37=O.C46=O.CC8.N35
|
N#Cc1ccc(C(=O)N2[C@H](C(=O)NC[C@H]3[C@@H]4CCCC[C@@H]43)CCC23CC3)s1
|
N#CccccC=O)N[C@H]C=O)NC[C@H][C@@H]CCCC[C@@H]67))))))))))CCC5CC3))))))))s5
|
[N][#C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C@H1][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][Ring1][#Branch1][C][C][C][Ring1][S][C][C][Ring1][Ring1][S][Ring2][Ring1][=Branch2]
|
N15[C@H]8CCC12CC2.N#Cc1ccc9s1.[C@@H]1%10[C@H]2CCCC[C@@H]12.C59=O.C68=O.N67.C7%10
|
CCOC(=O)CCCC(=O)N1CC[C@](CF)(NC(=O)[C@]23CC[C@H](OC)[C@H]2C3)C1
|
CCOC=O)CCCC=O)NCC[C@]CF))NC=O)[C@]CC[C@H]OC))[C@H]5C6))))))))C5
|
[C][C][O][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][C][C@][Branch1][Ring1][C][F][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@][C][C][C@H1][Branch1][Ring1][O][C][C@H1][Ring1][#Branch1][C][Ring1][Branch2][C][Ring2][Ring1][C]
|
C4(=O)CCCC5=O.N15CC[C@@]9%11C1.[C@]12%10CC[C@H]8[C@H]1C2.C6%10=O.CC7.O47.C%11F.N69.O8C
|
Cc1cc(C)nc(CN=C(NCC(=O)N(C)CC(F)(F)F)N[C@@H]2C[C@H]2C)c1
|
CcccC)ncCN=CNCC=O)NC)CCF)F)F)))))))N[C@@H]C[C@H]3C))))))))c6
|
[C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][P][C][N][=C][Branch2][Ring1][Ring2][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F][N][C@@H1][C][C@H1][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch2]
|
Cc1cc7nc(C)c1.C7N=C(N4)N6.C5C(F)(F)F.C4C3=O.[C@@H]16C[C@H]1C.N35C
|
CCSCCC(=O)N[C@@H]1CN(C(=O)CC2(OC)CC2)CC2(CC2)C1
|
CCSCCC=O)N[C@@H]CNC=O)CCOC))CC3)))))CCCC3))C6
|
[C][C][S][C][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][Branch1][Ring1][O][C][C][C][Ring1][Branch1][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][S]
|
[C@@H]18CN4CC2(CC2)C1.C7CC3=O.C4(=O)C9.C159CC1.CC6.S67.N38.O5C
|
Cc1ccc(C)c(C(=O)NC[C@H]2CCO[C@H]2C(=O)N(C)C[C@H]2OCCC2(C)C)c1
|
CccccC)cC=O)NC[C@H]CCO[C@H]5C=O)NC)C[C@H]OCCC5C)C)))))))))))))))))c6
|
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@H1][C][C][O][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][O][C][C][C][Ring1][Branch1][Branch1][C][C][C][=C][Ring2][Ring1][N]
|
Cc1ccc(C)c8c1.[C@H]19OCCC1(C)C.[C@H]1%10CCO[C@H]17.C38=O.C47=O.N46C.N35.C5%10.C69
|
CC[C@H]1C[C@H](C(=O)NCC2(Nc3nccc(-c4cnccn4)n3)COC2)CCO1
|
CC[C@H]C[C@H]C=O)NCCNcnccc-ccnccn6))))))n6)))))))COC4)))))))CCO6
|
[C][C][C@H1][C][C@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring2][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][Ring1][N][C][O][C][Ring1][P][C][C][O][Ring2][Ring1][O]
|
[C@H]1%10C[C@H]9CCO1.c18nccc%12n1.c1%12cnccn1.C17%11COC1.C59=O.CC%10.N56.C6%11.N78
|
Cn1c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)CCc2cnc(O)[nH]2)cnc1O
|
CncC=O)NC[C@H]CCC[C@@H]C8)N6C=O)CCccncO)[nH]5)))))))))))))))))cnc5O
|
[C][N][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][=C][N][=C][Branch1][C][O][NH1][Ring1][=Branch1][=C][N][=C][Ring2][Ring1][#Branch2][O]
|
N14C[C@H]2CCC[C@@H](C1)N25.Cn1c6cnc1O.c17cnc(O)[nH]1.C5(=O)CC7.C46=O
|
Cn1cnn(CC(=O)N2[C@H]3CC[C@H]2CN(C(=O)[C@@H]2CCC=CO2)CC3)c1=O
|
CncnnCC=O)N[C@H]CC[C@H]5CNC=O)[C@@H]CCC=CO6)))))))CC8)))))))))))c5=O
|
[C][N][C][=N][N][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Ring1][Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C@@H1][C][C][C][=C][O][Ring1][=Branch1][C][C][Ring1][S][C][Ring2][Ring1][=Branch2][=O]
|
N14[C@H]2CC[C@H]1CN5CC2.Cn1cnn7c1=O.[C@@H]16CCC=CO1.C7C4=O.C56=O
|
C#CCC(C)(C)C(=O)NCC1(C)CCC(NC(=O)C(C)=Cc2cn[nH]c2)CC1
|
C#CCCC)C)C=O)NCCC)CCCNC=O)CC)=Cccn[nH]c5)))))))))CC6
|
[C][#C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][C][=N][NH1][C][=Ring1][Branch1][C][C][Ring2][Ring1][C]
|
C#CCC(C)(C)C3=O.C18(C)CCC6CC1.C=7c1cn[nH]c1.C4(=O)C=7C.N35.C58.N46
|
C#C[C@H]1CCN1C(=O)c1ccn(CCNC(=O)c2cc(Cl)n[nH]2)c1
|
C#C[C@H]CCN4C=O)cccnCCNC=O)cccCl)n[nH]5)))))))))c5
|
[C][#C][C@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][C][=C][N][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=N][NH1][Ring1][=Branch1][C][=Ring1][S]
|
C#C[C@H]1CCN13.c17ccn8c1.c16cc(Cl)n[nH]1.C37=O.C8C5.C46=O.N45
|
CCSc1cccnc1C(=O)N[C@@H]1CN(C(=O)CSC(C)(C)C)C[C@H]1CC1CC1
|
CCSccccnc6C=O)N[C@@H]CNC=O)CSCC)C)C)))))C[C@H]5CCCC3
|
[C][C][S][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][S][C][Branch1][C][C][Branch1][C][C][C][C][C@H1][Ring1][=N][C][C][C][C][Ring1][Ring1]
|
c13cccnc19.[C@@H]18CN4C[C@H]1%10.C4(=O)C6.C7(C)(C)C.C29=O.C1%11CC1.CC5.S53.N28.S67.C%10%11
|
CC[C@@H]1C[C@H](C(=O)N[C@H]2CN(C(=O)c3cc(Cl)ncc3O)CC(C)(C)C2)CCO1
|
CC[C@@H]C[C@H]C=O)N[C@H]CNC=O)cccCl)ncc6O))))))))CCC)C)C6))))))))CCO6
|
[C][C][C@@H1][C][C@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][C][C][C][O][Ring2][Ring1][O]
|
[C@H]16CN5CC(C)(C)C1.c18cc(Cl)ncc1O.[C@@H]19C[C@H]7CCO1.C47=O.C58=O.CC9.N46
|
Cc1nscc1C(=O)N(CCO)[C@H]1CCN(C(=O)[C@@H](C)c2ccc(F)c(Cl)c2)C1
|
Ccnscc5C=O)NCCO)))[C@H]CCNC=O)[C@@H]C)ccccF)cCl)c6))))))))C5
|
[C][C][=N][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C@H1][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][P]
|
c18ccc(F)c(Cl)c1.Cc1nscc17.[C@H]16CCN4C1.C4(=O)[C@H]8C.C37=O.N356.C5CO
|
O=C(CC1=CCCCC1)N1CCN(CCN=c2[nH]nc(C3CCCC3)s2)CC1
|
O=CCC=CCCCC6)))))))NCCNCCN=c[nH]ncCCCCC5)))))s5))))))))CC6
|
[O][=C][Branch1][#Branch2][C][C][=C][C][C][C][C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Ring2][C][C][N][=C][NH1][N][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][S][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1]
|
O=C4CC1=CCCCC1.C5CN=c1[nH]nc6s1.N14CCN5CC1.C16CCCC1
|
CC1(C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4cccc(N5CCCC5=O)c4)[C@@H]3C2)COC1
|
CCC=O)NC[C@@H][C@@H]CNC=O)cccccNCCCC5=O))))))c6)))))))))[C@@H]3C6)))))))COC4
|
[C][C][Branch2][Ring2][N][C][=Branch1][C][=O][N][C][C@@H1][C@@H1][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][N][C@@H1][Ring2][Ring1][Ring1][C][Ring2][Ring1][=Branch1][C][O][C][Ring2][Ring1][N]
|
N16C[C@@H]2[C@@H]%11[C@@H]2C1.c1%10cccc%12c1.N1%12CCCC1=O.CC19COC1.C69=O.C7%10=O.C8%11.N78
|
CC(C)[C@H](NC(=O)COC(C)(C)C)[C@@H](C)NC(=O)CC12COC(CF)(C1)C2
|
CCC)[C@H]NC=O)COCC)C)C))))))[C@@H]C)NC=O)CCCOCCF))C5)C5
|
[C][C][Branch1][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][O][C][Branch1][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][O][C][Branch1][Ring1][C][F][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][Branch2]
|
CC(C)[C@H]7[C@H]8C.C12%10COC9(C1)C2.C3(=O)C5.C6(C)(C)C.C4(=O)C%10.N37.O56.N48.C9F
|
C[C@@H](C(=O)N(CCNC(=O)c1cc(F)c(Cl)c(N)c1Cl)CC1CC1)n1cncn1
|
C[C@@H]C=O)NCCNC=O)cccF)cCl)cN)c6Cl)))))))))))CCCC3))))))ncncn5
|
[C][C@@H1][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][Cl][C][Branch1][C][N][=C][Ring1][=Branch2][Cl][C][C][C][C][Ring1][Ring1][N][C][=N][C][=N][Ring1][Branch1]
|
c17cc(F)c(Cl)c(N)c1Cl.C[C@H]8C2=O.n18cncn1.N246.C4C5.C37=O.C19CC1.N35.C69
|
CCC[C@H](CC)CC(=O)N[C@@H]1CN(C(=O)CCCCOC)C[C@H]1C1CC1
|
CCC[C@H]CC))CC=O)N[C@@H]CNC=O)CCCCOC)))))))C[C@H]5CCC3
|
[C][C][C][C@H1][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][O][C][C][C@H1][Ring1][=N][C][C][C][Ring1][Ring1]
|
CCC[C@H](CC)CC2=O.[C@@H]15CN3C[C@H]1C1CC1.C3(=O)CCCC4.N25.O4C
|
CC[C@]1(C(=O)N[C@@H](CC2CC2)C(=O)N2CCC(C)CC2)CNC(=O)C1
|
CC[C@]C=O)N[C@@H]CCCC3))))C=O)NCCCC)CC6))))))))))CNC=O)C5
|
[C][C][C@][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][Ring2][Ring1][#Branch1]
|
[C@]167CNC(=O)C1.N14CCC(C)CC1.[C@H]5(C8)C4=O.C36=O.C18CC1.CC7.N35
|
C=C(C)COCC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCC2(CC2)CO1
|
C=CC)COCC=O)NCCC)C)C=O)NC[C@@H]CCCCC3))CO6
|
[C][=C][Branch1][C][C][C][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][O][Ring1][Branch2]
|
[C@@H]19CCC2(CC2)CO1.C7C(C)(C)C4=O.C=C(C)C5.C6C3=O.O56.N37.N48.C89
|
CC(=O)c1cn(CC(=O)NCC[C@@H]2CCN(C(=O)[C@@]3(C)CC[C@H](C)C3)C2)nn1
|
CC=O)ccnCC=O)NCC[C@@H]CCNC=O)[C@@]C)CC[C@H]C)C5))))))C5))))))))))nn5
|
[C][C][=Branch1][C][=O][C][=C][N][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C][C][C@@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][C][C][Ring1][#Branch1][C][Ring1][=C][N][=N][Ring2][Ring1][=Branch2]
|
[C@]18(C)CC[C@H](C)C1.c17cn9nn1.[C@@H]1%10CCN5C1.C9C4=O.CC7=O.C6C%10.C58=O.N46
|
COc1c(Cl)cccc1CNC(=O)Nc1ccc2scnc2c1
|
COccCl)cccc6CNC=O)Nccccscnc5c9
|
[C][O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][S][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2]
|
c17ccc2scnc2c1.c15c8cccc1Cl.C34=O.CO5.C68.N36.N47
|
CN(C[C@@H]1CCN(C(=O)c2ccnn2CC#N)C1)C(=O)C=CC1CCCCCC1
|
CNC[C@@H]CCNC=O)cccnn5CC#N)))))))))C5))))))C=O)C=CCCCCCCC7
|
[C][N][Branch2][Ring1][=Branch2][C][C@@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][#N][C][Ring1][#C][C][=Branch1][C][=O][C][=C][C][C][C][C][C][C][C][Ring1][#Branch1]
|
C=7C1CCCCCC1.[C@@H]19CCN3C1.c16ccnn18.C4(=O)C=7.CN45.C36=O.C8C#N.C59
|
Cc1nccc(C(=O)NCC[C@H]2CCCCN2C(=O)c2cc(O)cc(Br)c2)n1
|
CcncccC=O)NCC[C@H]CCCCN6C=O)cccO)ccBr)c6)))))))))))))))))n6
|
[C][C][=N][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][Br][=C][Ring1][Branch2][=N][Ring2][Ring1][O]
|
c17cc(O)cc(Br)c1.Cc1nccc6n1.[C@H]18CCCCN14.C36=O.C5C8.C47=O.N35
|
CC[C@H](C)CC(=O)N1CCC(N(CC2CC2)C(=O)Cc2c(C)cnn2C)CC1
|
CC[C@H]C)CC=O)NCCCNCCCC3))))C=O)CccC)cnn5C)))))))))CC6
|
[C][C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch2][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][C][=N][N][Ring1][=Branch1][C][C][C][Ring2][Ring1][Branch1]
|
CC[C@H](C)CC3=O.N13CCC6CC1.c17c(C)cnn1C.C4(=O)C7.N456.C18CC1.C58
|
CC/C(C)=C/C(=O)N1CC(OCCNC(=O)C[C@H]2CCCS(=O)(=O)C2)C1
|
CC/CC)=C/C=O)NCCOCCNC=O)C[C@H]CCCS=O)=O)C6))))))))))))C4
|
[C][C][/C][Branch1][C][C][=C][/C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Branch2][O][C][C][N][C][=Branch1][C][=O][C][C@H1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][Branch2][C][Ring2][Ring1][Ring1]
|
[C@H]19CCCS(=O)(=O)C1.N13CC6C1.CCC=8C.C=8C3=O.C4(=O)C9.C5C7.O56.N47
|
CC1(C)COCC[C@@H]1C(=O)N1CCC(C(=O)NC2CCCCCC2)CC1
|
CCC)COCC[C@@H]6C=O)NCCCC=O)NCCCCCCC7)))))))))CC6
|
[C][C][Branch1][C][C][C][O][C][C][C@@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][C][Ring1][S]
|
CC1(C)COCC[C@@H]16.N13CCC7CC1.C15CCCCCC1.C36=O.C47=O.N45
|
Cc1nc(N2Cc3c[nH]nc3[C@@H](C)C2)cc(N2CCO[C@@H](c3ccc(C)o3)C2)n1
|
CcncNCcc[nH]nc5[C@@H]C)C9)))))))))ccNCCO[C@@H]ccccC)o5)))))C6))))))n6
|
[C][C][=N][C][Branch1][P][N][C][C][=C][NH1][N][=C][Ring1][Branch1][C@@H1][Branch1][C][C][C][Ring1][#Branch2][=C][C][Branch2][Ring1][Branch1][N][C][C][O][C@@H1][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][Ring1][N][=N][Ring2][Ring1][N]
|
N14Cc2c[nH]nc2[C@@H](C)C1.Cc1nc4cc5n1.N15CCO[C@@H]6C1.c16ccc(C)o1
|
C=CCCC1(C(=O)NCCNC(=O)C[C@@H](c2ccc(O)cc2)C2CC2)CC1
|
C=CCCCC=O)NCCNC=O)C[C@@H]ccccO)cc6))))))CCC3)))))))))))CC3
|
[C][=C][C][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][#Branch1]
|
c1%10ccc(O)cc1.C4(=O)C[C@H]9%10.C=CCC8.C178CC1.C37=O.C5C6.C19CC1.N35.N46
|
C[C@@]1(C(=O)N2C[C@H](O)C[C@H]2C(=O)NCCN2CCCCCC2)CCC[C@H]1O
|
C[C@@]C=O)NC[C@H]O)C[C@H]5C=O)NCCNCCCCCC7)))))))))))))))))CCC[C@H]5O
|
[C][C@@][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][C][C][C][C@H1][Ring2][Ring1][=Branch2][O]
|
C[C@@]18CCC[C@H]1O.N13C[C@H](O)C[C@H]17.N16CCCCCC1.C38=O.C47=O.C5C6.N45
|
C=C[C@H](NC(=O)[C@H]1C[C@@H](N=[N+]=[N-])CN1C(=O)[C@@H]1CCCCCN1C)C1CC1
|
C=C[C@H]NC=O)[C@H]C[C@@H]N=[N+]=[N-])))CN5C=O)[C@@H]CCCCCN7C))))))))))))))))CCC3
|
[C][=C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch1][Ring2][N][=N+1][=N-1][C][N][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][C][C][C][C][C][N][Ring1][#Branch1][C][C][C][C][Ring1][Ring1]
|
[C@H]15C[C@@H](N=[N+]=[N-])CN13.[C@@H]16CCCCCN1C.C=C[C@H]47.C25=O.C36=O.C17CC1.N24
|
COC1(OC)CC(C(=O)N2CCN(C(=O)C[C@@H]3CCCOC3)[C@H](CO)C2)C1
|
COCOC))CCC=O)NCCNC=O)C[C@@H]CCCOC6))))))))[C@H]CO))C6)))))))C4
|
[C][O][C][Branch1][Ring1][O][C][C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C@@H1][C][C][C][O][C][Ring1][=Branch1][C@H1][Branch1][Ring1][C][O][C][Ring1][P][C][Ring2][Ring1][=Branch2]
|
N14CCN5[C@H]9C1.C167CC8C1.[C@@H]1%10CCCOC1.C5(=O)C%10.C48=O.CO6.O7C.C9O
|
CCOc1ncc(C(=O)N2CCCC[C@H](N(C)C(=O)CN(C)CC)C2)cn1
|
CCOcnccC=O)NCCCC[C@H]NC)C=O)CNC)CC))))))C7))))))))cn6
|
[C][C][O][C][=N][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch1][S][N][Branch1][C][C][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][C][Ring1][S][C][=N][Ring2][Ring1][Branch2]
|
N13CCCC[C@H]9C1.c16ncc%10cn1.C4(=O)C7.C3%10=O.N49C.N78C.CC5.O56.C8C
|
O=C(NC[C@@H]1CN(C(=O)c2cnc3sccn23)[C@@H]2C[C@@H]12)C1=CCCCC1
|
O=CNC[C@@H]CNC=O)ccncsccn85)))))))))[C@@H]C[C@@H]63))))))))C=CCCCC6
|
[O][=C][Branch2][Ring1][#C][N][C][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][N][=C][S][C][=C][N][Ring1][Branch2][Ring1][Branch1][C@@H1][C][C@@H1][Ring1][S][Ring1][Ring1][C][=C][C][C][C][C][Ring1][=Branch1]
|
O=C4C1=CCCCC1.c17cnc2sccn12.[C@@H]18CN5[C@@H]2C[C@@H]12.C57=O.N46.C68
|
C[C@@H](CC(=O)N1CCC[C@H]2CN(C(=O)c3coc(C(N)=O)c3)C[C@H]21)CC(C)(C)C
|
C[C@@H]CC=O)NCCC[C@H]CNC=O)ccocCN)=O))c5))))))C[C@H]59)))))))))))CCC)C)C
|
[C][C@@H1][Branch2][Ring2][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][C@H1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][Branch2][C][C@H1][Ring1][#C][Ring2][Ring1][Ring1][C][C][Branch1][C][C][Branch1][C][C][C]
|
C[C@@H](CC4=O)CC(C)(C)C.N14CCC[C@H]2CN5C[C@H]21.c17coc6c1.C57=O.C6(N)=O
|
Cc1nc(CC2CC2)sc1C(=O)NCCC(C)(C)NC(=O)Cc1cncc(F)c1
|
CcncCCCC3))))sc5C=O)NCCCC)C)NC=O)CccnccF)c6
|
[C][C][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][S][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1]
|
Cc1nc8sc17.c1%10cncc(F)c1.C5CC6(C)C.C4(=O)C%10.C19CC1.C37=O.C89.N35.N46
|
CCN(C)[C@@H]1CCN([C@H](C(=O)NC[C@@H]2CCCO2)[C@@H]2C[C@H]3C[C@H]2[C@@H]2C[C@H]32)C1
|
CCNC)[C@@H]CCN[C@H]C=O)NC[C@@H]CCCO5))))))))[C@@H]C[C@H]C[C@H]5[C@@H]C[C@H]63)))))))))C5
|
[C][C][N][Branch1][C][C][C@@H1][C][C][N][Branch2][Ring1][#C][C@H1][Branch1][=C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][O][Ring1][Branch1][C@@H1][C][C@H1][C][C@H1][Ring1][Branch1][C@@H1][C][C@H1][Ring1][=Branch1][Ring1][Ring1][C][Ring2][Ring1][#Branch1]
|
[C@@H]1%10C[C@H]2C[C@H]1[C@@H]1C[C@H]21.[C@@H]18CCN6C1.[C@H]6%10C4=O.[C@@H]19CCCO1.N58C.CC5.N47.C79
|
O=C(CSc1nc2ccccc2[nH]1)N1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CSCCS1
|
O=CCScncccccc6[nH]9)))))))))))NC[C@@H]C[C@H]5CN5C=O)C[C@H]CSCCS6
|
[O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][C][C@@H1][C][C@H1][Ring1][Branch1][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C@H1][C][S][C][C][S][Ring1][=Branch1]
|
c17nc2ccccc2[nH]1.N13C[C@@H]2C[C@H]1CN24.[C@H]16CSCCS1.O=C3C5.C4(=O)C6.S57
|
C[C@H](C(=O)N1CC([C@@H](C)NC(=O)C2=C[C@H]3CCC[C@H]23)C1)N(C)CC(F)(F)F
|
C[C@H]C=O)NCC[C@@H]C)NC=O)C=C[C@H]CCC[C@H]75))))))))))C4)))))NC)CCF)F)F
|
[C][C@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Branch1][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C@H1][C][C][C][C@H1][Ring1][#Branch1][Ring1][Branch1][C][Ring1][S][N][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F]
|
C5(=O)C1=C[C@H]2CCC[C@H]12.C[C@@H]6C4=O.N14CC9C1.C8C(F)(F)F.[C@H]79C.N68C.N57
|
O=C(CSC(F)(F)F)NC1(C(=O)N[C@H](CC2CC2)C2CC2)CCCCC1
|
O=CCSCF)F)F))))NCC=O)N[C@H]CCCC3))))CCC3))))))CCCCC6
|
[O][=C][Branch1][O][C][S][C][Branch1][C][F][Branch1][C][F][F][N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1][C][C][C][C][C][Ring1][P]
|
C158CCCCC1.S7C(F)(F)F.O=C3C7.[C@H]69C%10.C48=O.C1%10CC1.C19CC1.N35.N46
|
CC[C@@](C)(CNC(=O)C(C)(C)CN(C)C)NC(=O)c1ccc(N)cc1Cl
|
CC[C@@]C)CNC=O)CC)C)CNC)C)))))))NC=O)ccccN)cc6Cl
|
[C][C][C@@][Branch1][C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Cl]
|
c17ccc(N)cc1Cl.C2(=O)C(C)(C)C6.CC[C@@]4(C)C5.N6(C)C.C37=O.N25.N34
|
C[C@H](CCN(C)C)C(=O)N1CC(OCCC(=O)N2CC(C3=NOCC3)C2)C1
|
C[C@H]CCNC)C))))C=O)NCCOCCC=O)NCCC=NOCC5)))))C4))))))))C4
|
[C][C@H1][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][#Branch1][O][C][C][C][=Branch1][C][=O][N][C][C][Branch1][Branch2][C][=N][O][C][C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring2][Ring1][C]
|
N15CC(C2=NOCC2)C1.C[C@H](CC8)C4=O.N14CC7C1.C6CC5=O.N8(C)C.O67
|
CCC1(C(=O)N2C[C@H]3C[C@@H](C2)[C@@H](NC(=O)CCS(C)(=O)=O)C3)CCOCC1
|
CCCC=O)NC[C@H]C[C@@H]C6)[C@@H]NC=O)CCSC)=O)=O))))))C5))))))))CCOCC6
|
[C][C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#C][C][C][O][C][C][Ring2][Ring1][=Branch2]
|
N14C[C@H]2C[C@@H](C1)[C@@H]6C2.C5(=O)CCS(C)(=O)=O.C178CCOCC1.C47=O.CC8.N56
|
Cc1nc(C(=O)NCC[C@@H](C)NC(=O)C(=O)c2c(C)nn(C)c2C)cs1
|
CcncC=O)NCC[C@@H]C)NC=O)C=O)ccC)nnC)c5C))))))))))))))cs5
|
[C][C][=N][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][=C][S][Ring2][Ring1][=Branch2]
|
c18c(C)nn(C)c1C.Cc1nc7cs1.C5C[C@H]6C.C4(=O)C8=O.C37=O.N35.N46
|
C[C@H]1CCCN1CC(=O)NCCN1N=C(c2ccccc2)CCC1=O
|
C[C@H]CCCN5CC=O)NCCNN=Ccccccc6))))))CCC6=O
|
[C][C@H1][C][C][C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][N][=O]
|
N16N=C(c2ccccc2)CCC1=O.C[C@H]1CCCN14.C4C3=O.C5C6.N35
|
Cc1cc(Cl)c(-c2nc([C@@H](C)O)nn2CCN2CCOCC2)cn1
|
CcccCl)c-cnc[C@@H]C)O))nn5CCNCCOCC6)))))))))))))cn6
|
[C][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][=Branch2][C][=N][C][Branch1][=Branch1][C@@H1][Branch1][C][C][O][=N][N][Ring1][Branch2][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring2][Ring1][#Branch1]
|
Cc1cc(Cl)c6cn1.c16nc5nn14.N13CCOCC1.[C@H]5(C)O.C4C3
|
CN(Cc1ncc(Cl)cc1Cl)S(=O)(=O)CCOCC(=O)OC(C)(C)C
|
CNCcnccCl)cc6Cl))))))))S=O)=O)CCOCC=O)OCC)C)C
|
[C][N][Branch1][=C][C][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][S][=Branch1][C][=O][=Branch1][C][=O][C][C][O][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
c18ncc(Cl)cc1Cl.S7(=O)(=O)CC3.C4C2=O.C5(C)(C)C.CN67.C68.O34.O25
|
CC(C)[C@H](C)N(C1CC1)[C@@H](C(=O)NCC1CC1)c1cc2n(n1)CCCO2
|
CCC)[C@H]C)NCCC3)))[C@@H]C=O)NCCCC3))))))cccnn5)CCCO6
|
[C][C][Branch1][C][C][C@H1][Branch1][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C@@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][C][O][Ring1][#Branch1]
|
c18cc2n(n1)CCCO2.CC(C)[C@@H]4C.[C@@H]58C3=O.N457.C17CC1.C19CC1.N36.C69
|
CO[C@H](C(=O)NC(C)(C)[C@H](C)CC(=O)N(C)Cc1ccoc1C)C1CC1
|
CO[C@H]C=O)NCC)C)[C@H]C)CC=O)NC)Ccccoc5C))))))))))))))CCC3
|
[C][O][C@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][O][C][=Ring1][Branch1][C][C][C][C][Ring1][Ring1]
|
C5(C)(C)[C@H](C)CC3=O.c18ccoc1C.[C@H]47C2=O.N36C.C17CC1.CO4.N25.C68
|
O=C1Cc2c(ncnc2N2C[C@@H](O)[C@H](Nc3cc(-c4ccccc4)ncn3)C2)N1
|
O=CCccncnc6NC[C@@H]O)[C@H]Nccc-cccccc6))))))ncn6)))))))C5)))))))))N5
|
[O][=C][C][C][=C][Branch2][Ring2][Branch2][N][=C][N][=C][Ring1][=Branch1][N][C][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Ring2][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][N][C][Ring2][Ring1][Ring1][N][Ring2][Ring1][N]
|
O=C1Cc2c5ncnc2N1.N15C[C@@H]7[C@H](O)C1.c16cc8ncn1.c18ccccc1.N67
|
CO[C@H](C(=O)N[C@@H]1CCCC12CCN(C(=O)Cc1nncs1)CC2)C1CC1
|
CO[C@H]C=O)N[C@@H]CCCC5CCNC=O)Ccnncs5)))))))CC6))))))))))))CCC3
|
[C][O][C@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][Ring1][Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=N][N][=C][S][Ring1][Branch1][C][C][Ring1][=C][C][C][C][Ring1][Ring1]
|
[C@@H]16CCCC12CCN4CC2.[C@H]58C3=O.c17nncs1.C4(=O)C7.C18CC1.CO5.N36
|
O=C(N[C@@H]1CCC12CCCC2)C(=O)N1CCOC[C@@H]1CC1CC1
|
O=CN[C@@H]CCC4CCCC5)))))))))C=O)NCCOC[C@@H]6CCCC3
|
[O][=C][Branch1][=C][N][C@@H1][C][C][C][Ring1][Ring2][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][C][C][C][Ring1][Ring1]
|
[C@@H]15CCC12CCCC2.N14CCOC[C@@H]16.O=C3C4=O.C17CC1.N35.C67
|
Cc1cnn(CC(=O)N2CC[C@](O)([C@H](C)CNC(=O)C3(F)CCC3)C2)c(=O)c1
|
CccnnCC=O)NCC[C@]O)[C@H]C)CNC=O)CF)CCC4))))))))C5)))))))c=O)c6
|
[C][C][C][=N][N][Branch2][Ring2][=Branch1][C][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][O][Branch2][Ring1][Ring2][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][F][C][C][C][Ring1][Branch1][C][Ring1][P][C][=Branch1][C][=O][C][=Ring2][Ring1][O]
|
Cc1cnn8c(=O)c1.N14CC[C@@]9(O)C1.C17(F)CCC1.C8C4=O.[C@@H]9(C)C6.C57=O.N56
|
CO[C@@H]1CCC[C@H](NC(=O)[C@@H](OC)C2CN(C(=O)C=Cc3cc[nH]c3)C2)C1
|
CO[C@@H]CCC[C@H]NC=O)[C@@H]OC))CCNC=O)C=Cccc[nH]c5))))))))C4)))))))C6
|
[C][O][C@@H1][C][C][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@@H1][Branch1][Ring1][O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][C][=C][NH1][C][=Ring1][Branch1][C][Ring1][=N][C][Ring2][Ring1][=Branch2]
|
[C@@H]17CCC[C@H]8C1.C=9c1cc[nH]c1.C4(=O)[C@@H]6%10.C1%10CN5C1.C5(=O)C=9.CO7.N48.O6C
|
CCn1nccc1C(=O)N[C@@H](CO)[C@@H]1CCCO1
|
CCnnccc5C=O)N[C@@H]CO))[C@@H]CCCO5
|
[C][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C@@H1][C][C][C][O][Ring1][Branch1]
|
n15nccc14.[C@@H]16CCCO1.[C@@H]36CO.C24=O.CC5.N23
|
COc1cccc([C@H](Nc2cnccc2CC#N)c2ccccc2)c1
|
COccccc[C@H]Nccnccc6CC#N))))))))))cccccc6)))))))c6
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C@H1][Branch1][=N][N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1]
|
c13cccc6c1.c15cnccc18.c17ccccc1.[C@H]467.C8C#N.CO3.N45
|
CCO[C@H](C)C(=O)N1CC(F)(CNC(=O)c2cccc(C(F)F)c2F)C1
|
CCO[C@H]C)C=O)NCCF)CNC=O)cccccCF)F))c6F))))))))))C4
|
[C][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][Ring1][=Branch2][F][C][Ring2][Ring1][Ring1]
|
c18cccc%10c1F.N13CC9(F)C1.[C@@H]6(C)C3=O.C48=O.C%10(F)F.CC5.O56.C79.N47
|
C=C[C@](C)(O)C(=O)N1CC2(C)CC1(C(=O)NC1(CO)CC1)C2
|
C=C[C@]C)O)C=O)NCCC)CC5C=O)NCCO))CC3)))))C4
|
[C][=C][C@][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Ring1][=Branch1][Branch1][#C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][C][Ring1][Branch1][C][Ring1][=N]
|
N13CC2(C)CC16C2.C=C[C@](C)(O)C3=O.C157CC1.C46=O.N45.C7O
|
CC(C)(O)CNC(=O)[C@@H]1C[C@@H](F)CN(C(=O)c2cc(O)cc3ccccc23)C1
|
CCC)O)CNC=O)[C@@H]C[C@@H]F)CNC=O)cccO)ccccccc%106)))))))))))C6
|
[C][C][Branch1][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][F][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][Ring2][Ring1][Ring2]
|
c18cc(O)cc2ccccc12.[C@@H]17C[C@@H](F)CN5C1.CC(C)(O)C6.C47=O.C58=O.N46
|
CCN=C(NCc1ccccc1S(C)(=O)=O)N[C@H]1CCO[C@]2(CCOC2)C1
|
CCN=CNCcccccc6SC)=O)=O))))))))))N[C@H]CCO[C@]CCOC5))))C6
|
[C][C][N][=C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][N][C@H1][C][C][O][C@][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][C][Ring1][#Branch2]
|
c15ccccc1S(C)(=O)=O.[C@H]14CCO[C@]2(CCOC2)C1.CCN=C(N3)N4.C35
|
CC(C)(CCC(=O)N1CCC[C@@H](NC(N)=O)C1)NC(=O)c1ccc(CO)s1
|
CCC)CCC=O)NCCC[C@@H]NCN)=O)))C6)))))))))NC=O)ccccCO))s5
|
[C][C][Branch1][C][C][Branch2][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][O][S][Ring1][#Branch1]
|
CC5(C)CCC2=O.N12CCC[C@@H]6C1.c17ccc8s1.C3(N)=O.C47=O.N36.N45.C8O
|
CC1(C)CC[C@H](CC(=O)NCCCNC(=O)c2nc3ncc(CCO)cn3n2)C1
|
CCC)CC[C@H]CC=O)NCCCNC=O)cncnccCCO)))cn6n9)))))))))))))))))C5
|
[C][C][Branch1][C][C][C][C][C@H1][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][N][=C][N][=C][C][Branch1][Ring2][C][C][O][=C][N][Ring1][=Branch2][N][=Ring1][N][C][Ring2][Ring1][N]
|
c18nc2ncc%10cn2n1.CC1(C)CC[C@H]9C1.C9C4=O.C6CC7.C58=O.C%10CO.N46.N57
|
CC[S@+]([O-])CC(=O)NCC1(O)CN(C(=O)c2c[nH]nc2-c2ccccn2)C1
|
CC[S@+][O-])CC=O)NCCO)CNC=O)cc[nH]nc5-cccccn6))))))))))))C4
|
[C][C][S@+1][Branch1][C][O-1][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][C]
|
CC[S@+]([O-])CC3=O.C17(O)CN4C1.c16c[nH]nc18.c18ccccn1.C46=O.N35.C57
|
CC1(C)[C@@H](NC(=O)C2CCSCC2)C[C@H]1C(=O)NOCCCCCC1CC1
|
CCC)[C@@H]NC=O)CCCSCC6))))))))C[C@H]4C=O)NOCCCCCCCC3
|
[C][C][Branch1][C][C][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][S][C][C][Ring1][=Branch1][C][C@H1][Ring1][=C][C][=Branch1][C][=O][N][O][C][C][C][C][C][C][C][C][Ring1][Ring1]
|
CC1(C)[C@H]7C[C@@H]15.C16CCSCC1.C4CCCC8.C7(=O)NO4.C36=O.C18CC1.N35
|
CC[C@@H](C)CCC(=O)N1CC(CCNC(=O)CN(C)CCO)C1
|
CC[C@@H]C)CCC=O)NCCCCNC=O)CNC)CCO)))))))))C4
|
[C][C][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][S][C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][O][C][Ring1][#C]
|
CC[C@@H](C)CCC2=O.N12CC7C1.C3(=O)C5.C7C4.N56C.C6CO.N34
|
Cc1cc(C(=O)NC[C@H](C2CC2)N(C)C(=O)C[C@@H]2CCCC[C@H]2O)nc(O)n1
|
CcccC=O)NC[C@H]CCC3)))NC)C=O)C[C@@H]CCCC[C@H]6O))))))))))))))ncO)n6
|
[C][C][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch1][C][C][C][=Branch1][C][=O][C][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][O][=N][C][Branch1][C][O][=N][Ring2][Ring1][O]
|
Cc1cc7nc(O)n1.[C@@H]19CCCC[C@H]1O.C5[C@@H]68.C4(=O)C9.C37=O.C18CC1.N46C.N35
|
Cc1nccc(C(=O)N2CC[C@H](F)C[C@@H]2C(=O)N2CCCNC(=O)C2)n1
|
CcncccC=O)NCC[C@H]F)C[C@@H]6C=O)NCCCNC=O)C7)))))))))))))))n6
|
[C][C][=N][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][F][C][C@@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][Ring1][Branch2][=N][Ring2][Ring1][=Branch2]
|
N13CC[C@H](F)C[C@@H]15.N14CCCNC(=O)C1.Cc1nccc6n1.C36=O.C45=O
|
Cc1ccnc(C(=O)NCCN2CCN(C(=O)c3cc4cnn(C)c4s3)CC2)c1
|
CcccncC=O)NCCNCCNC=O)ccccnnC)c5s8)))))))))CC6))))))))))c6
|
[C][C][=C][C][=N][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring1][P][=C][Ring2][Ring1][N]
|
c1%10cc2cnn(C)c2s1.Cc1ccnc9c1.N18CCN6CC1.C59=O.C7C8.C6%10=O.N57
|
COc1ccc2[nH]c(C(=O)N[C@@H]3C[C@H]3NC(=O)[C@@H](C)c3ccccc3F)cc2n1
|
COcccc[nH]cC=O)N[C@@H]C[C@H]3NC=O)[C@@H]C)cccccc6F)))))))))))))))cc5n9
|
[C][O][C][=C][C][=C][NH1][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@@H1][C][C@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][Ring2][Ring1][#Branch1][=N][Ring2][Ring1][O]
|
c16ccc2[nH]c9cc2n1.c1%10ccccc1F.C5(=O)[C@H]%10C.[C@@H]17C[C@H]18.C49=O.CO6.N47.N58
|
CC[C@](C)(O)C(=O)N1CC2(NC(=O)c3ccc([S@+]([O-])C(C)C)cc3)CC1C2
|
CC[C@]C)O)C=O)NCCNC=O)cccc[S@+][O-])CC)C)))cc6))))))))CC5C4
|
[C][C][C@][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][S@+1][Branch1][C][O-1][C][Branch1][C][C][C][C][=C][Ring1][O][C][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][C]
|
c17ccc([S@+]([O-])C(C)C)cc1.CC[C@](C)(O)C4=O.N14CC26CC1C2.C57=O.N56
|
CCN(CC)[C@H](C)C(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)CCCn1cnc(C#N)n1)C2
|
CCNCC))[C@H]C)C=O)N[C@@H]C[C@@H]C[C@H]5NC=O)CCCncncC#N))n5)))))))))C5
|
[C][C][N][Branch1][Ring1][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][C][C@H1][Ring1][Branch1][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][N][C][=N][C][Branch1][Ring1][C][#N][=N][Ring1][#Branch1][C][Ring1][P]
|
[C@@H]18C[C@@H]2C[C@H]1N4C2.n19cnc(C#N)n1.C4(=O)CCC9.[C@@H]7(C)C3=O.N567.CC5.C6C.N38
|
CCC[C@H](NC(=O)C1(NC(=O)C2CC(CF)C2)CC(CO)C1)C1CCC1
|
CCC[C@H]NC=O)CNC=O)CCCCF))C4))))))CCCO))C4))))))CCCC4
|
[C][C][C][C@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][Branch1][Ring1][C][F][C][Ring1][=Branch1][C][C][Branch1][Ring1][C][O][C][Ring1][#C][C][C][C][C][Ring1][Ring2]
|
C167CC%11C1.CCC[C@H]59.C18CC%10C1.C19CCC1.C37=O.C48=O.N35.N46.C%10F.C%11O
|
COc1cc(Cl)c(C)cc1C(=O)NC[C@@H](NC(=O)Cc1cnc(C)s1)C1CC1
|
COcccCl)cC)cc6C=O)NC[C@@H]NC=O)CccncC)s5))))))))CCC3
|
[C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][C][Ring1][Ring1]
|
c14cc(Cl)c(C)cc17.c18cnc(C)s1.C5[C@@H]69.C3(=O)C8.C27=O.C19CC1.CO4.N25.N36
|
Cc1nc(C(=O)N2CCC[C@H](C(=O)NC[C@@]3(CO)CCCO3)C2)c(C)s1
|
CcncC=O)NCCC[C@H]C=O)NC[C@@]CO))CCCO5))))))))C6)))))))cC)s5
|
[C][C][=N][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C@@][Branch1][Ring1][C][O][C][C][C][O][Ring1][#Branch1][C][Ring1][P][=C][Branch1][C][C][S][Ring2][Ring1][=Branch2]
|
Cc1nc7c(C)s1.N14CCC[C@H]8C1.[C@]19%10CCCO1.C47=O.C58=O.N56.C69.C%10O
|
CSc1ccc(F)cc1-c1cnc(NC(=O)c2nc(Cl)ccc2F)s1
|
CSccccF)cc6-ccncNC=O)cncCl)ccc6F)))))))))s5
|
[C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F][S][Ring1][S]
|
c16ccc(F)cc17.c15nc(Cl)ccc1F.c17cnc4s1.C35=O.CS6.N34
|
Cc1cc(Cl)cc(C(=O)NC[C@@H]2COC[C@H]2NC(=O)c2ccc3nc[nH]c3c2)c1
|
CcccCl)ccC=O)NC[C@@H]COC[C@H]5NC=O)ccccnc[nH]c5c9)))))))))))))))))))c6
|
[C][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@@H1][C][O][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][Ring2][Ring1][N]
|
c19ccc2nc[nH]c2c1.Cc1cc8cc(Cl)c1.[C@@H]1%10COC[C@H]17.C48=O.C59=O.N46.C6%10.N57
|
COC1(CNc2cc(N3CC[C@H](c4cc(O)n[nH]4)C3)nc(C(C)C)n2)CCCC1
|
COCCNcccNCC[C@H]cccO)n[nH]5)))))C5)))))ncCC)C))n6))))))))CCCC5
|
[C][O][C][Branch2][Ring2][=Branch2][C][N][C][=C][C][Branch2][Ring1][Ring2][N][C][C][C@H1][Branch1][O][C][=C][C][Branch1][C][O][=N][NH1][Ring1][=Branch1][C][Ring1][O][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring2][Ring1][Ring2][C][C][C][C][Ring2][Ring1][O]
|
c17cc8nc9n1.C15%10CCCC1.N18CC[C@H]%11C1.c1%11cc(O)n[nH]1.C9(C)C.CO5.C6%10.N67
|
Cc1cncc(C(=O)N[C@H]2CC[C@@H](NC(=O)C[C@H](C)c3cccc(F)c3)CC2)n1
|
CccnccC=O)N[C@H]CC[C@@H]NC=O)C[C@H]C)cccccF)c6))))))))))CC6))))))))n6
|
[C][C][=C][N][=C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][N]
|
Cc1cncc8n1.[C@H]16CC[C@@H]7CC1.c19cccc(F)c1.C5(=O)C[C@@H]9C.C48=O.N46.N57
|
CCC1(NC(=O)CC2(CO)CC2)CCN(C(=O)c2c(C)cccc2Br)CC1
|
CCCNC=O)CCCO))CC3))))))CCNC=O)ccC)cccc6Br))))))))CC6
|
[C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][Br][C][C][Ring2][Ring1][=Branch2]
|
C157CCN4CC1.c16c(C)cccc1Br.C3(=O)C8.C189CC1.C46=O.CC7.N35.C9O
|
Cc1cc(C(=O)N2CCOC[C@H](CNC(=O)c3cnc(S)n3C3CC3)C2)c(C)s1
|
CcccC=O)NCCOC[C@H]CNC=O)ccncS)n5CCC3)))))))))))C7))))))))cC)s5
|
[C][C][=C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][O][C][C@H1][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][S][N][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][Ring2][=C][Branch1][C][C][S][Ring2][Ring1][N]
|
N14CCOC[C@H]9C1.Cc1cc8c(C)s1.c17cnc(S)n1%10.C48=O.C57=O.C1%10CC1.C69.N56
|
Cc1cncc(C(=O)NCC[C@@]2(C)CCN(C(=O)c3cc(C)c(C#N)cn3)C2)n1
|
CccnccC=O)NCC[C@@]C)CCNC=O)cccC)cC#N))cn6)))))))C5)))))))))n6
|
[C][C][=C][N][=C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C@@][Branch1][C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][=Branch2][C][Ring1][P][=N][Ring2][Ring1][N]
|
c18cc(C)c(C#N)cn1.Cc1cncc7n1.[C@]19(C)CCN5C1.C47=O.C6C9.C58=O.N46
|
CCc1ccsc1[C@H](C(=O)NC)N1CCC[C@H](c2nccs2)C1
|
CCcccsc5[C@H]C=O)NC)))NCCC[C@H]cnccs5)))))C6
|
[C][C][C][C][=C][S][C][=Ring1][Branch1][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][C][N][C][C][C][C@H1][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][O]
|
N14CCC[C@H]7C1.c16ccsc15.[C@@H]45C3=O.c17nccs1.CC6.N3C
|
C[C@H](CC(=O)N1CC[C@](C)(NC(=O)C2(C3CCC3)CC2)C1)n1cccn1
|
C[C@H]CC=O)NCC[C@]C)NC=O)CCCCC4))))CC3)))))C5)))))))ncccn5
|
[C][C@H1][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][C][Ring1][#Branch1][C][Ring1][S][N][C][=C][C][=N][Ring1][Branch1]
|
N14CC[C@@]6(C)C1.C17(C2CCC2)CC1.C[C@@H]8CC4=O.n18cccn1.C57=O.N56
|
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