SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
CN(CC1CCCCCC1)C(=O)[C@H]1CC12CCN(C(=O)c1coc(CO)c1)CC2
|
CNCCCCCCCC7))))))))C=O)[C@H]CC3CCNC=O)ccocCO))c5))))))CC6
|
[C][N][Branch1][O][C][C][C][C][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][C@H1][C][C][Ring1][Ring1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][O][C][Branch1][Ring1][C][O][=C][Ring1][#Branch1][C][C][Ring1][#C]
|
[C@H]16CC12CCN4CC2.C19CCCCCC1.c17coc8c1.CN35.C36=O.C47=O.C59.C8O
|
CC(C)(CNC(=O)C[C@@H]1CCOC(C)(C)C1)NC(=O)c1ccc2nc(S)oc2c1
|
CCC)CNC=O)C[C@@H]CCOCC)C)C6))))))))))NC=O)ccccncS)oc5c9
|
[C][C][Branch1][C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C@@H1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][C][S][O][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
c17ccc2nc(S)oc2c1.[C@@H]18CCOC(C)(C)C1.CC5(C)C6.C3(=O)C8.C47=O.N36.N45
|
CC1CCC(=CC(=O)N[C@@H]2CC[C@@H](C)N(C(=O)[C@H](C)NC(=O)C(C)(C)C)C2)CC1
|
CCCCC=CC=O)N[C@@H]CC[C@@H]C)NC=O)[C@H]C)NC=O)CC)C)C))))))C6)))))))))CC6
|
[C][C][C][C][C][=Branch2][Ring2][O][=C][C][=Branch1][C][=O][N][C@@H1][C][C][C@@H1][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][N]
|
[C@@H]17CC[C@@H](C)N4C1.CC1CCC=8CC1.C5(=O)C(C)(C)C.C4(=O)[C@@H]6C.C=8C3=O.N37.N56
|
CC1(CC(=O)N[C@@H]2CCCCN(C(=O)[C@]34CCCC[C@H]3[C@@H]4Br)C2)CC1
|
CCCC=O)N[C@@H]CCCCNC=O)[C@]CCCC[C@H]6[C@@H]7Br)))))))))C7))))))))))CC3
|
[C][C][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C@][C][C][C][C][C@H1][Ring1][=Branch1][C@@H1][Ring1][#Branch1][Br][C][Ring1][P][C][C][Ring2][Ring1][Branch2]
|
[C@@H]17CCCCN6C1.[C@]128CCCC[C@H]1[C@@H]2Br.CC19CC1.C9C5=O.C68=O.N57
|
C[C@H](CS(C)(=O)=O)NC(=O)[C@@]1(NC(=O)CCNC(N)=O)CCSC1
|
C[C@H]CSC)=O)=O)))NC=O)[C@@]NC=O)CCNCN)=O)))))))CCSC5
|
[C][C@H1][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][N][C][=Branch1][C][=O][C@@][Branch1][=C][N][C][=Branch1][C][=O][C][C][N][C][Branch1][C][N][=O][C][C][S][C][Ring1][=C]
|
C[C@@H]5CS(C)(=O)=O.[C@@]168CCSC1.C3(=O)CC7.C28=O.C4(N)=O.N25.N36.N47
|
COC(=O)N(C)CC(=O)N1CC[C@@H]2CCN(C(=O)CC34CCC(CC3)OC4)C[C@@H]21
|
COC=O)NC)CC=O)NCC[C@@H]CCNC=O)CCCCCCC6))OC6))))))))C[C@@H]69
|
[C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][Ring1][Branch2][C][C@@H1][Ring1][P][Ring2][Ring1][Ring2]
|
N17CC[C@@H]2CCN8C[C@@H]21.C12%10CCC(CC1)OC2.C9C7=O.C8(=O)C%10.C56=O.N69C.CO5
|
CCc1[nH]ccc1C(=O)N1CCC[C@@H]1CCCNC(=O)Cc1cnns1
|
CCc[nH]ccc5C=O)NCCC[C@@H]5CCCNC=O)Cccnns5
|
[C][C][C][NH1][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][N][=N][S][Ring1][Branch1]
|
c17[nH]ccc15.N12CCC[C@@H]16.c18cnns1.C6CC4.C3(=O)C8.C25=O.CC7.N34
|
CO[C@H]1CN(C(=O)[C@@H]2C[C@@]2(C)C(C)C)CC[C@H]1NC(=O)c1ccc2c[nH]nc2n1
|
CO[C@H]CNC=O)[C@@H]C[C@@]3C)CC)C))))))CC[C@H]6NC=O)ccccc[nH]nc5n9
|
[C][O][C@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@@H1][C][C@@][Ring1][Ring1][Branch1][C][C][C][Branch1][C][C][C][C][C][C@H1][Ring1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][NH1][N][=C][Ring1][Branch1][N][=Ring1][=Branch2]
|
c17ccc2c[nH]nc2n1.[C@H]15CN3CC[C@H]16.[C@@H]18C[C@]19C.C38=O.C9(C)C.C47=O.CO5.N46
|
C#CC[C@@H](O)C(=O)NC[C@@]1(F)CCCN(C(=O)c2cnn3ncccc23)C1
|
C#CC[C@@H]O)C=O)NC[C@@]F)CCCNC=O)ccnnncccc96))))))))))C6
|
[C][#C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C@@][Branch1][C][F][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=N][N][N][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][C][Ring2][Ring1][C]
|
c17cnn2ncccc12.[C@]18(F)CCCN5C1.C#CC[C@@H](O)C4=O.C57=O.N46.C68
|
C#Cc1ccc(C(=O)NC[C@@H](O)CCNC(=O)c2csc3nccn23)cc1
|
C#CccccC=O)NC[C@@H]O)CCNC=O)ccscnccn85))))))))))))))))cc6
|
[C][#C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C][C][N][C][=Branch1][C][=O][C][=C][S][C][=N][C][=C][N][Ring1][Branch2][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2]
|
C#Cc1ccc9cc1.c18csc2nccn12.C6[C@@H](O)CC7.C49=O.C58=O.N46.N57
|
CCC1=NO[C@@H](CC(=O)N2CC3(CNC(=O)[C@H](C)CSC)CC2(COC)C3)C1
|
CCC=NO[C@@H]CC=O)NCCCNC=O)[C@H]C)CSC)))))))CC5COC)))C4))))))))C5
|
[C][C][C][=N][O][C@@H1][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C][C][Branch1][=C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][S][C][C][C][Ring1][=C][Branch1][Ring2][C][O][C][C][Ring1][S][C][Ring2][Ring1][#Branch2]
|
N14CC2%11CC1%10C2.CCC1=NO[C@@H]9C1.C5(=O)[C@H](C)C8.C9C4=O.C7%11.N57.S8C.C6%10.O6C
|
CC[C@@H](C)CCCC(=O)N1CCC(C)(C)[C@@H](NC(=O)Cc2nnc(C)o2)C1
|
CC[C@@H]C)CCCC=O)NCCCC)C)[C@@H]NC=O)CcnncC)o5))))))))C6
|
[C][C][C@@H1][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][C][=N][N][=C][Branch1][C][C][O][Ring1][=Branch1][C][Ring2][Ring1][C]
|
CC[C@@H](C)CCCC3=O.N13CCC(C)(C)[C@@H]5C1.c16nnc(C)o1.C4(=O)C6.N45
|
Cc1cc(NC(=O)[C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)c2ccccc2c1O
|
CcccNC=O)[C@@H]C[C@@H]C)CNC=O)OCC)C)C))))C6))))))))cccccc6c%10O
|
[C][C][=C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][O][O]
|
Cc1cc7c2ccccc2c1O.[C@@H]18C[C@@H](C)CN5C1.C6(C)(C)C.C48=O.C35=O.N47.O36
|
CCCCC(=O)C(=O)N(C)C[C@@H]1CCN(C(=O)C(C)(C)C2=CCSCC2)C1
|
CCCCC=O)C=O)NC)C[C@@H]CCNC=O)CC)C)C=CCSCC6))))))))C5
|
[C][C][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][S][C][C][Ring1][=Branch1][C][Ring1][S]
|
C4(=O)C(C)(C)C1=CCSCC1.CCCCC(=O)C3=O.[C@@H]16CCN4C1.N35C.C56
|
Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccncc3F)C[C@@H]2C)c1
|
CcccccNCCNC=O)C=O)NCcccncc6F)))))))))))C[C@@H]6C)))))))c6
|
[C][C][=C][C][=C][C][Branch2][Ring1][P][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][F][C][C@@H1][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch2]
|
N17CCN4C[C@@H]1C.Cc1cccc7c1.c18ccncc1F.C4(=O)C5=O.N56.C68
|
CC1(C)[C@H](CO)[C@@H]1C(=O)N1CCC[C@H](Oc2ccc(Cl)cc2)C1
|
CCC)[C@H]CO))[C@@H]3C=O)NCCC[C@H]OccccCl)cc6)))))))C6
|
[C][C][Branch1][C][C][C@H1][Branch1][Ring1][C][O][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=C]
|
N13CCC[C@H]4C1.c15ccc(Cl)cc1.CC1(C)[C@H]7[C@@H]16.C36=O.C7O.O45
|
CO[C@H]1C[C@@H](CNC(=O)[C@@H](F)C2CC2)N(C(=O)c2oc3ccc(C)cc3c2C)C1
|
CO[C@H]C[C@@H]CNC=O)[C@@H]F)CCC3)))))))NC=O)coccccC)cc6c9C)))))))))))C5
|
[C][O][C@H1][C][C@@H1][Branch1][S][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][F][C][C][C][Ring1][Ring1][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][C][Ring2][Ring1][O]
|
c18oc2ccc(C)cc2c1C.[C@H]16C[C@@H]9N5C1.C4(=O)[C@H]%10F.C1%10CC1.C58=O.CO6.C79.N47
|
CC(C)Oc1cc(Cl)cc(NC(=O)C(=O)Nc2cn(C)nc2C2CC2)c1
|
CCC)OcccCl)ccNC=O)C=O)NccnC)nc5CCC3))))))))))))c6
|
[C][C][Branch1][C][C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][=Branch1]
|
c16cc7cc(Cl)c1.c18cn(C)nc19.C3(=O)C4=O.CC5C.C19CC1.O56.N37.N48
|
Cc1oc(Cl)nc1C(=O)N[C@H]1COC2(C1)CN(C(=O)[C@]1(C#N)CC1(C)C)C2
|
CcocCl)nc5C=O)N[C@H]COCC5)CNC=O)[C@]C#N))CC3C)C)))))C4
|
[C][C][O][C][Branch1][C][Cl][=N][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][O][C][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][Branch1][C][C][C][C][Ring1][=C]
|
[C@H]15COC2(C1)CN4C2.Cc1oc(Cl)nc16.[C@@]17(C#N)CC1(C)C.C36=O.C47=O.N35
|
O=C1CC(C(=O)NC23CC(CCF)(C2)C3)(c2cccc(Cl)c2)C1
|
O=CCCC=O)NCCCCCF)))C4)C4))))))cccccCl)c6))))))C4
|
[O][=C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][C][F][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][Branch2][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring2][Ring1][=Branch1]
|
c18cccc(Cl)c1.O=C1CC68C1.C125CC7(C1)C2.C46=O.C7CF.N45
|
CCN(C)CCC(=O)N[C@@H](CO)C1CCN(C(=O)[C@H]2CCCc3ncnn32)CC1
|
CCNC)CCC=O)N[C@@H]CO))CCCNC=O)[C@H]CCCcncnn59))))))))))CC6
|
[C][C][N][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][C][C][C][C][=N][C][=N][N][Ring1][Branch1][Ring1][=Branch2][C][C][Ring1][P]
|
C5(=O)[C@H]1CCCc2ncnn21.C19CCN5CC1.C7CC4=O.[C@@H]89CO.N67C.CC6.N48
|
C=CCNC(=O)[C@H](c1ccc(C)c2ccccc12)N(C)c1ccccc1
|
C=CCNC=O)[C@H]ccccC)cccccc%106))))))))))NC)cccccc6
|
[C][=C][C][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][C][C][=C][C][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
c17ccc(C)c2ccccc12.c16ccccc1.C3(=O)[C@@H]57.C=CC4.N56C.N34
|
C[C@@H](O)C(=O)N1CCC2(CC1)CCN(S(=O)(=O)c1ccc(Cl)s1)CC2
|
C[C@@H]O)C=O)NCCCCC6))CCNS=O)=O)ccccCl)s5))))))CC6
|
[C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][C][Ring1][P]
|
N13CCC2(CC1)CCN4CC2.S4(=O)(=O)c1ccc(Cl)s1.C[C@@H](O)C3=O
|
CC[C@@H](C)/C=C/C(=O)NCC=C1CCN(C(=O)c2nnc(O)cc2O)CC1
|
CC[C@@H]C)/C=C/C=O)NCC=CCCNC=O)cnncO)cc6O))))))))CC6
|
[C][C][C@@H1][Branch1][C][C][/C][=C][/C][=Branch1][C][=O][N][C][C][=C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=N][N][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][C][Ring1][S]
|
c16nnc(O)cc1O.C1=8CCN4CC1.CC[C@@H](C)C=7.C=7C3=O.C5C=8.C46=O.N35
|
C=CCOCCCN=c1[nH]c(=NCCOC)[nH]c2cccnc12
|
C=CCOCCCN=c[nH]c=NCCOC)))))[nH]ccccnc%106
|
[C][=C][C][O][C][C][C][N][=C][NH1][C][=Branch1][=Branch1][=N][C][C][O][C][NH1][C][=C][C][=C][N][=C][Ring1][#C][Ring1][=Branch1]
|
C4CCN=c1[nH]c(=NCC5)[nH]c2cccnc12.C=CC3.O34.O5C
|
C[C@H](C(=O)N[C@H]1[C@@H]2CN(C(=O)c3cncc(S(N)(=O)=O)c3)C[C@@H]21)N1CCNC1=O
|
C[C@H]C=O)N[C@H][C@@H]CNC=O)ccnccSN)=O)=O))c6)))))))C[C@@H]56))))))))NCCNC5=O
|
[C][C@H1][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C@H1][C@@H1][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][#Branch2][C][C@@H1][Ring1][P][Ring2][Ring1][C][N][C][C][N][C][Ring1][Branch1][=O]
|
c17cncc(S(N)(=O)=O)c1.[C@@H]16[C@H]2CN5C[C@@H]12.N18CCNC1=O.C[C@@H]8C4=O.C57=O.N46
|
CCn1c(CNC(=O)C2(CC)CN(C(=O)[C@H]3CC[C@H]3C)C2)cnc1C
|
CCncCNC=O)CCC))CNC=O)[C@H]CC[C@H]4C))))))C4)))))))cnc5C
|
[C][C][N][C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C@H1][C][C][C@H1][Ring1][Ring2][C][C][Ring1][=N][=C][N][=C][Ring2][Ring1][=Branch1][C]
|
n19c%10cnc1C.C17%11CN5C1.[C@H]18CC[C@H]1C.C47=O.C58=O.CC9.C6%10.N46.C%11C
|
CCC1(C(=O)NCc2ccc(C(=O)NC[C@H]3C[C@H]3C3CCCC3)o2)CC1
|
CCCC=O)NCccccC=O)NC[C@H]C[C@H]3CCCCC5)))))))))))o5))))))))CC3
|
[C][C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C@H1][C][C@H1][Ring1][Ring1][C][C][C][C][C][Ring1][Branch1][O][Ring1][P][C][C][Ring2][Ring1][Branch2]
|
[C@H]1%12C[C@H]1C1CCCC1.c1%10ccc8o1.C19%11CC1.C49=O.C58=O.CC%11.N46.C6%10.N57.C7%12
|
Cc1nccc(C(=O)N[C@@H](C)CN(C)C(=O)c2cn(C3CC3)c(C)cc2=O)c1O
|
CcncccC=O)N[C@@H]C)CNC)C=O)ccnCCC3)))cC)cc6=O)))))))))))))c6O
|
[C][C][=N][C][=C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][C][=C][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][O][O]
|
c19cn%10c(C)cc1=O.Cc1nccc8c1O.[C@H]6(C)C7.C48=O.N57C.C59=O.C1%10CC1.N46
|
CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1COC2(C1)CN(CCOC1CCC1)C2
|
CCCC[C@H]NCN)=O)))C=O)N[C@@H]COCC5)CNCCOCCCC4)))))))C4
|
[C][C][C][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][C][O][C][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][O][C][C][C][C][Ring1][Ring2][C][Ring1][N]
|
[C@@H]19COC2(C1)CN8C2.CCCC[C@H]7C4=O.C16CCC1.C3(N)=O.C8C5.N37.N49.O56
|
CC(=O)N(C)[C@@H](C)C(=O)N1C[C@@H]2CC[C@H](C1)[C@H](NC(=O)c1cc[n+]([O-])cc1)C2
|
CC=O)NC)[C@@H]C)C=O)NC[C@@H]CC[C@H]C7)[C@H]NC=O)ccc[n+][O-])cc6))))))))C6
|
[C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=N+1][Branch1][C][O-1][C][=C][Ring1][#Branch1][C][Ring1][P]
|
N14C[C@@H]2CC[C@H](C1)[C@H]7C2.c18cc[n+]([O-])cc1.[C@H]6(C)C4=O.CC3=O.N36C.C58=O.N57
|
CC[C@H](CC(F)(F)F)C(=O)NC[C@@H](CO)CNC(=O)c1cc(CO)[nH]n1
|
CC[C@H]CCF)F)F)))C=O)NC[C@@H]CO))CNC=O)cccCO))[nH]n5
|
[C][C][C@H1][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][N][C][C@@H1][Branch1][Ring1][C][O][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][Ring1][C][O][NH1][N][=Ring1][#Branch1]
|
CC[C@H](CC(F)(F)F)C2=O.C4[C@H](C5)CO.c16cc7[nH]n1.C36=O.N24.N35.C7O
|
O=C([C@@H]1CNCCN1Cc1cc(F)ccc1I)N1CCC(F)(CO)CC1
|
O=C[C@@H]CNCCN6CcccF)ccc6I))))))))))))))NCCCF)CO))CC6
|
[O][=C][Branch2][Ring1][=Branch1][C@@H1][C][N][C][C][N][Ring1][=Branch1][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][I][N][C][C][C][Branch1][C][F][Branch1][Ring1][C][O][C][C][Ring1][=Branch2]
|
c16cc(F)ccc1I.N12CCC5(F)CC1.[C@@H]14CNCCN13.O=C24.C36.C5O
|
Cc1cc(I)ccc1NC(=O)c1cnc([C@H]2CCCN2)nc1
|
CcccI)ccc6NC=O)ccnc[C@H]CCCN5)))))nc6
|
[C][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Branch2][C@H1][C][C][C][N][Ring1][Branch1][N][=C][Ring1][O]
|
Cc1cc(I)ccc14.c15cnc6nc1.[C@H]16CCCN1.C35=O.N34
|
C=C1CC(CC(=O)NC(C)(C)CCCCNC(=O)[C@H](C)CCOC)C1
|
C=CCCCC=O)NCC)C)CCCCNC=O)[C@H]C)CCOC)))))))))))))))C4
|
[C][=C][C][C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C][O][C][C][Ring2][Ring1][Branch2]
|
C5(C)(C)CCCC6.C3(=O)[C@H](C)CC4.C=C1CC7C1.C7C2=O.N25.N36.O4C
|
CCOc1ncccc1NC(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1OC
|
CCOcncccc6NC=O)NccccCC)C)C=O)OC))))cc6OC
|
[C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][Ring1][=N][O][C]
|
c19ccc%10cc17.c16ncccc18.C%10(C)(C)C2=O.C34=O.CC5.O56.N38.N49.O2C.O7C
|
Cc1nn(C2CC2)cc1C(=O)N1CCC[C@@](C)(NC(=O)C[C@H]2C=CS(=O)(=O)C2)C1
|
CcnnCCC3)))cc5C=O)NCCC[C@@]C)NC=O)C[C@H]C=CS=O)=O)C5))))))))C6
|
[C][C][=N][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C@@][Branch1][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C@H1][C][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C][Ring2][Ring1][C]
|
N13CCC[C@]5(C)C1.Cc1nn8cc16.[C@H]17C=CS(=O)(=O)C1.C4(=O)C7.C18CC1.C36=O.N45
|
C=CCc1ccccc1C(=O)N1CC(=O)NC[C@@H]1C(=O)NCCN1CC(C)(O)C1
|
C=CCcccccc6C=O)NCC=O)NC[C@@H]6C=O)NCCNCCC)O)C4
|
[C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C@@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][C][C][Branch1][C][C][Branch1][C][O][C][Ring1][=Branch1]
|
N12CC(=O)NC[C@@H]16.c18ccccc17.N15CC(C)(O)C1.C=CC8.C27=O.C36=O.C4C5.N34
|
CCC(C)(C)CC(=O)N1CC[C@](N=[N+]=[N-])(C(=O)NC[C@@H](OC)C(C)(C)C)C1
|
CCCC)C)CC=O)NCC[C@]N=[N+]=[N-])))C=O)NC[C@@H]OC))CC)C)C))))))C5
|
[C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C@][Branch1][Ring2][N][=N+1][=N-1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C@@H1][Branch1][Ring1][O][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][Ring1]
|
N12CC[C@@]6(N=[N+]=[N-])C1.CCC(C)(C)CC2=O.C5[C@@H]4C(C)(C)C.C36=O.N35.O4C
|
O=C(Nc1ccnc(F)c1Br)[C@@H]1CC12CCN(C(=O)NCCCCl)CC2
|
O=CNcccncF)c6Br))))))))[C@@H]CC3CCNC=O)NCCCCl))))))CC6
|
[O][=C][Branch1][=C][N][C][=C][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1][Br][C@@H1][C][C][Ring1][Ring1][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Cl][C][C][Ring1][=N]
|
[C@@H]18CC12CCN4CC2.c17ccnc(F)c1Br.C6CCCl.O=C38.C45=O.N37.N56
|
Cc1ncc(C=CC(=O)NC[C@H](C)[C@@]2(O)CCN(C(=O)C(C)(C)F)C2)s1
|
CcnccC=CC=O)NC[C@H]C)[C@@]O)CCNC=O)CC)C)F)))C5)))))))))))s5
|
[C][C][=N][C][=C][Branch2][Ring2][Branch1][C][=C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C@@][Branch1][C][O][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][F][C][Ring1][N][S][Ring2][Ring1][=Branch2]
|
Cc1ncc(C=6)s1.[C@]17(O)CCN4C1.C4(=O)C(C)(C)F.C=6C3=O.C5[C@@H]7C.N35
|
COCc1cccc(NC(=O)[C@@H]2CC[C@H](O)CN2C(C)=O)c1
|
COCcccccNC=O)[C@@H]CC[C@H]O)CN6CC)=O))))))))))c6
|
[C][O][C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C@H1][Branch1][C][O][C][N][Ring1][#Branch1][C][Branch1][C][C][=O][=C][Ring2][Ring1][Ring1]
|
[C@@H]17CC[C@H](O)CN14.c18cccc6c1.C37=O.C4(C)=O.CO5.C58.N36
|
CC[S@@+]([O-])CCNC(=O)[C@H](CCC(C)C)NC(=O)[C@H](C)OC(C)=O
|
CC[S@@+][O-])CCNC=O)[C@H]CCCC)C))))NC=O)[C@H]C)OCC)=O
|
[C][C][S@@+1][Branch1][C][O-1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][O][C][Branch1][C][C][=O]
|
C2(=O)[C@@H]6CCC(C)C.CC[S@@+]([O-])CC5.C3(=O)[C@@H]4C.C1(C)=O.N25.N36.O14
|
C[C@@H](C(=O)NC[C@@H]1CC[C@H]1NC(=O)c1cnn2c1OCCC2)n1cccn1
|
C[C@@H]C=O)NC[C@@H]CC[C@H]4NC=O)ccnnc5OCCC6))))))))))))))))))ncccn5
|
[C][C@@H1][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=N][N][C][=Ring1][Branch1][O][C][C][C][Ring1][=Branch1][N][C][=C][C][=N][Ring1][Branch1]
|
c17cnn2c1OCCC2.C[C@H]8C3=O.[C@@H]19CC[C@H]16.n18cccn1.C47=O.N35.C59.N46
|
Cc1ccccc1CCNC(=O)[C@H]1CSCCN1Cc1ccc(F)cc1[N+](=O)[O-]
|
Ccccccc6CCNC=O)[C@H]CSCCN6CccccF)cc6[N+]=O)[O-]
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][S][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1]
|
c17ccc(F)cc1[N+](=O)[O-].Cc1ccccc16.[C@H]15CSCCN14.C6C3.C25=O.N23.C47
|
CC(C)(C)n1cnc(=NC(=O)NCCSCc2ccsc2)[nH]1
|
CCC)C)ncnc=NC=O)NCCSCcccsc5))))))))))))[nH]5
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=N][C][=Branch2][Ring1][C][=N][C][=Branch1][C][=O][N][C][C][S][C][C][C][=C][S][C][=Ring1][Branch1][NH1][Ring2][Ring1][C]
|
n17cnc(=NC3=O)[nH]1.c18ccsc1.CC7(C)C.C4C5.N34.S56.C68
|
N#CC1(C(=O)N2CC[C@](O)(CNC(=O)C3(n4ccc(C5CC5)n4)CC3)C2)CCC1
|
N#CCC=O)NCC[C@]O)CNC=O)CncccCCC3)))n5)))))CC3))))))C5))))))CCC4
|
[N][#C][C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][O][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][Branch1][#C][N][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][C][Ring1][O][C][Ring2][Ring1][Branch1][C][C][C][Ring2][Ring1][O]
|
N16CC[C@@]%11(O)C1.N#CC19CCC1.n1%12ccc%13n1.C1%10%12CC1.C69=O.C7%10=O.C1%13CC1.C8%11.N78
|
CN=c1nc(N2CCC(Nc3cccnc3)CC2)[nH]c(=NC2CCSCC2)[nH]1
|
CN=cncNCCCNccccnc6)))))))CC6))))))[nH]c=NCCCSCC6)))))))[nH]6
|
[C][N][=C][N][=C][Branch2][Ring1][Ring2][N][C][C][C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N][NH1][C][=Branch1][#Branch2][=N][C][C][C][S][C][C][Ring1][=Branch1][NH1][Ring2][Ring1][#Branch2]
|
CN=c1nc4[nH]c(=NC2CCSCC2)[nH]1.N14CCC6CC1.c15cccnc1.N56
|
C[C@@H]1CN(C(=O)[C@@H](O)c2ccsc2)C[C@H]1NC(=O)c1cc(F)c2[nH]nnc2c1
|
C[C@@H]CNC=O)[C@@H]O)cccsc5)))))))C[C@H]5NC=O)cccF)c[nH]nnc5c9
|
[C][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][=C][S][C][=Ring1][Branch1][C][C@H1][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][NH1][N][=N][C][Ring1][Branch1][=C][Ring1][#Branch2]
|
c16cc(F)c2[nH]nnc2c1.C[C@@H]1CN3C[C@H]15.C3(=O)[C@H]7O.c17ccsc1.C46=O.N45
|
CN(CC1=CCCOC1)C(=O)C1(NC(=O)C2C[S+]([O-])C2)CSC1
|
CNCC=CCCOC6)))))))C=O)CNC=O)CC[S+][O-])C4))))))CSC4
|
[C][N][Branch1][#Branch2][C][C][=C][C][C][O][C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][S+1][Branch1][C][O-1][C][Ring1][Branch1][C][S][C][Ring1][N]
|
C5C1=CCCOC1.C167CSC1.C18C[S+]([O-])C1.CN35.C37=O.C48=O.N46
|
CC1(CCC(=O)N2C[C@@H](NC(=O)c3n[nH]c(C(C)(C)C)n3)CC2(C)C)CC1
|
CCCCC=O)NC[C@@H]NC=O)cn[nH]cCC)C)C))n5)))))))CC5C)C)))))))))CC3
|
[C][C][Branch2][Ring2][O][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=N][NH1][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][=Branch2][C][C][Ring1][P][Branch1][C][C][C][C][C][Ring2][Ring1][#Branch2]
|
N14C[C@@H]6CC1(C)C.c17n[nH]c8n1.C9CC4=O.CC19CC1.C8(C)(C)C.C57=O.N56
|
CC(C)[C@@H](CNC(=O)C1=NOC(C)(C)C1)NC(=O)[C@H]1CCCN1C(C)C
|
CCC)[C@@H]CNC=O)C=NOCC)C)C5))))))))NC=O)[C@H]CCCN5CC)C
|
[C][C][Branch1][C][C][C@@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=N][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][Branch1][C][C][C]
|
C2(=O)C1=NOC(C)(C)C1.CC(C)[C@H]4C5.[C@H]17CCCN16.C37=O.C6(C)C.N25.N34
|
CN(C)S(=O)(=O)CCC(=O)N1CC(C)(C)C[C@@H]1CNC(=O)[C@H]1CCCOC1
|
CNC)S=O)=O)CCC=O)NCCC)C)C[C@@H]5CNC=O)[C@H]CCCOC6
|
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C@@H1][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C@H1][C][C][C][O][C][Ring1][=Branch1]
|
S5(=O)(=O)CCC2=O.N12CC(C)(C)C[C@@H]17.[C@H]16CCCOC1.CN5C.C36=O.C47.N34
|
CC(=O)NCCC(=O)N[C@H]1C[C@@H](CNC(=O)c2csc(Cc3ccccc3)n2)C1
|
CC=O)NCCC=O)N[C@H]C[C@@H]CNC=O)ccscCcccccc6)))))))n5))))))))C4
|
[C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][N][C][Ring2][Ring1][Ring2]
|
c1%11csc%12n1.c15ccccc1.C8CC6=O.[C@H]1%10C[C@@H]%13C1.CC4=O.C7%11=O.N48.N6%10.C9%13.N79.C%125
|
C#CC[C@@H](O)C(=O)NC(CC)(CC)CNC(=O)CSc1cccs1
|
C#CC[C@@H]O)C=O)NCCC))CC))CNC=O)CSccccs5
|
[C][#C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][S][Ring1][Branch1]
|
C#CC[C@@H](O)C2=O.C4(C5)(CC)CC.c17cccs1.C3(=O)C6.N24.N35.S67
|
CN(C)S(=O)(=O)N(C)CC(=O)N1CC2(CCN(Cc3ncccn3)C2)C1
|
CNC)S=O)=O)NC)CC=O)NCCCCNCcncccn6)))))))C5))))C4
|
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][C][C][C][N][Branch1][#Branch2][C][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][Ring1][#C]
|
N14CC2(CCN6C2)C1.CN(C)S(=O)(=O)N5C.c17ncccn1.C5C4=O.C67
|
CC[C@@H](OC)C(=O)N[C@@H]1CC[C@@H]1NC(=O)c1cccc(NS(N)(=O)=O)n1
|
CC[C@@H]OC))C=O)N[C@@H]CC[C@@H]4NC=O)cccccNSN)=O)=O)))n6
|
[C][C][C@@H1][Branch1][Ring1][O][C][C][=Branch1][C][=O][N][C@@H1][C][C][C@@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][N][=Branch1][C][=O][=O][=N][Ring1][O]
|
c18cccc5n1.CC[C@@H]4C2=O.[C@@H]16CC[C@@H]17.N5S(N)(=O)=O.C38=O.O4C.N26.N37
|
C=CCCOCC(=O)NCC1(CCNC(=O)[C@H]2COCCN2C)CC1
|
C=CCCOCC=O)NCCCCNC=O)[C@H]COCCN6C)))))))))))CC3
|
[C][=C][C][C][O][C][C][=Branch1][C][=O][N][C][C][Branch1][P][C][C][N][C][=Branch1][C][=O][C@H1][C][O][C][C][N][Ring1][=Branch1][C][C][C][Ring1][#C]
|
[C@H]19COCCN1C.C=CCC5.C6C3=O.C1%10%11CC1.C%11C8.C49=O.O56.N37.C7%10.N48
|
C[C@H](C(=O)N[C@H](C(=O)Nc1ccc2c(c1)COC2)[C@@H](C)O)C(F)F
|
C[C@H]C=O)N[C@H]C=O)Ncccccc6)COC5))))))))))[C@@H]C)O)))))CF)F
|
[C][C@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][C@@H1][Branch1][C][C][O][C][Branch1][C][F][F]
|
c16ccc2c(c1)COC2.C[C@H](C3=O)C(F)F.[C@@H]5(C4=O)[C@@H](C)O.N35.N46
|
COc1ccc(C=NOCC(=O)N2CCC(OC)CC2)cc1
|
COccccC=NOCC=O)NCCCOC))CC6)))))))))))cc6
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][O][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring1][O][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2]
|
c16ccc(C=NO4)cc1.N13CCC5CC1.C4C3=O.CO6.O5C
|
CCNC(=O)[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)N1CCc2cc(Br)c(O)cc2C1
|
CCNC=O)[C@@H]ccccOC))c[N+]=O)[O-]))c6))))))NCCcccBr)cO)cc6C%10
|
[C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O][N][C][C][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][Ring1][N]
|
N16CCc2cc(Br)c(O)cc2C1.c17ccc4c([N+](=O)[O-])c1.C3(=O)[C@H]67.CC5.N35.O4C
|
CCc1c(C(=O)NC[C@H]2C[C@H]2NC(=O)c2coc(C(C)(C)C)n2)cnn1CC
|
CCccC=O)NC[C@H]C[C@H]3NC=O)ccocCC)C)C))n5)))))))))))))cnn5CC
|
[C][C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@H1][C][C@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][=Branch2][C][=N][N][Ring2][Ring1][Branch2][C][C]
|
c1%11c9cnn1%10.c18coc%12n1.[C@H]14C[C@H]17.C%12(C)(C)C.C39=O.C58=O.CC%11.N36.C64.N57.C%10C
|
C[C@H](O)Cc1cn(CCCC(=O)NC[C@H](C)c2ccc(N(C)C)nc2)nn1
|
C[C@H]O)CccnCCCC=O)NC[C@H]C)ccccNC)C))nc6)))))))))))))nn5
|
[C][C@H1][Branch1][C][O][C][C][=C][N][Branch2][Ring1][=N][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring1][=Branch2][N][=N][Ring2][Ring1][#Branch1]
|
c18ccc5nc1.c17cn6nn1.C6CCC3=O.C[C@H](O)C7.C4[C@@H]8C.N5(C)C.N34
|
O=C(NC[C@]1(F)CCN(C(=O)CCCF)C1)c1ccnc2ccncc12
|
O=CNC[C@]F)CCNC=O)CCCF)))))C5)))))))cccncccncc%106
|
[O][=C][Branch2][Ring1][#Branch1][N][C][C@][Branch1][C][F][C][C][N][Branch1][=Branch2][C][=Branch1][C][=O][C][C][C][F][C][Ring1][N][C][=C][C][=N][C][=C][C][=N][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
c16ccnc2ccncc12.[C@@]17(F)CCN4C1.C4(=O)CCCF.O=C36.N35.C57
|
Cc1nc(CC(=O)N[C@H]2C[C@H]2CNC(=O)c2c[nH]c3cccnc23)co1
|
CcncCC=O)N[C@H]C[C@H]3CNC=O)cc[nH]ccccnc96))))))))))))))))))co5
|
[C][C][=N][C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C@H1][C][C@H1][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][N][=C][Ring1][=Branch2][Ring1][=Branch1][=C][O][Ring2][Ring1][=Branch2]
|
c18c[nH]c2cccnc12.Cc1nc9co1.C9C4=O.[C@H]17C[C@H]1%10.C58=O.N47.C6%10.N56
|
Cc1nccn1CCCC(=O)NC[C@H](C)CNC(=O)[C@@H]1CCCC1(F)F
|
Ccnccn5CCCC=O)NC[C@H]C)CNC=O)[C@@H]CCCC5F)F
|
[C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][Ring1][Branch1][Branch1][C][F][F]
|
[C@@H]16CCCC1(F)F.Cc1nccn17.C7CCC2=O.C4[C@H](C)C5.C36=O.N24.N35
|
O=C1CC(C(=O)N2CCCCC[C@H]2C(=O)NC(CC2CC2)CC2CC2)C1
|
O=CCCC=O)NCCCCC[C@H]7C=O)NCCCCC3))))CCCC3)))))))))))))))C4
|
[O][=C][C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][C][C][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][C][C][Ring1][Ring1][C][Ring2][Ring1][=Branch2]
|
N13CCCCC[C@H]16.O=C1CC7C1.C5(C8)C9.C37=O.C46=O.C18CC1.C19CC1.N45
|
CC(=O)N(C)[C@H](C)C(=O)N(C)CCNC(=O)c1cn(-c2cccc(F)c2)nc1C
|
CC=O)NC)[C@H]C)C=O)NC)CCNC=O)ccn-cccccF)c6))))))nc5C
|
[C][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=C][Ring1][N][C]
|
c19cn%10nc1C.c1%10cccc(F)c1.[C@@H]6(C)C4=O.CC3=O.N36C.N47C.C7C8.C59=O.N58
|
CCN(CC)CC(=O)N[C@@H]1CCCC12CCN(C(=O)CCCOC(C)(C)C)CC2
|
CCNCC))CC=O)N[C@@H]CCCC5CCNC=O)CCCOCC)C)C)))))))CC6
|
[C][C][N][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][Ring1][Branch1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][S]
|
[C@@H]1%10CCCC12CCN4CC2.C4(=O)CCC5.C9C3=O.C6(C)(C)C.N789.CC7.C8C.N3%10.O56
|
CC(C)S[C@H](C)C(=O)NCCC1(O)CN(C(=O)CC[C@@H]2CNC(=O)N2)C1
|
CCC)S[C@H]C)C=O)NCCCO)CNC=O)CC[C@@H]CNC=O)N5))))))))C4
|
[C][C][Branch1][C][C][S][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C@@H1][C][N][C][=Branch1][C][=O][N][Ring1][=Branch1][C][Ring1][#C]
|
C19(O)CN4C1.[C@@H]18CNC(=O)N1.[C@@H]7(C)C3=O.C4(=O)CC8.CC6C.C5C9.S67.N35
|
C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@]1(O)CCN(C(=O)c2cnc(N)c(O)c2)C1
|
C[C@H]NC=O)CCCC)C)[N+]=O)[O-])))))))[C@@]O)CCNC=O)ccncN)cO)c6)))))))C5
|
[C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][N+1][=Branch1][C][=O][O-1][C@@][Branch1][C][O][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][N][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][S]
|
C3(=O)CCC(C)(C)[N+](=O)[O-].c16cnc(N)c(O)c1.[C@]17(O)CCN4C1.C[C@H]57.C46=O.N35
|
O=C(CNC(=O)c1ccco1)N[C@@H]1CCC[C@@H](NC(=O)[C@H](O)CF)C1
|
O=CCNC=O)cccco5))))))))N[C@@H]CCC[C@@H]NC=O)[C@H]O)CF)))))C6
|
[O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][N][C@@H1][C][C][C][C@@H1][Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][F][C][Ring1][=N]
|
[C@@H]16CCC[C@@H]7C1.C4(=O)[C@H](O)CF.c18ccco1.O=C2C5.C38=O.N35.N26.N47
|
CC[C@H](O)CN(CC)C(=O)[C@@H](C)CN(C)C(=O)C#CC1(C)COC1
|
CC[C@H]O)CNCC))C=O)[C@@H]C)CNC)C=O)C#CCC)COC4
|
[C][C][C@H1][Branch1][C][O][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][#C][C][Branch1][C][C][C][O][C][Ring1][Branch1]
|
C3(=O)C#CC1(C)COC1.C2(=O)[C@@H](C)C6.CC[C@H](O)C4.N245.N36C.C5C
|
C=CCOc1ccc(C(=O)NC[C@H]2CCC[C@H](NC(=O)CC=C(C)C)C2)cc1
|
C=CCOccccC=O)NC[C@H]CCC[C@H]NC=O)CC=CC)C))))))C6)))))))))cc6
|
[C][=C][C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C@H1][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][C][C][Ring1][=C][C][=C][Ring2][Ring1][Branch2]
|
c16ccc9cc1.[C@H]1%11CCC[C@H]8C1.C4(=O)CC=%10.C=CC5.C39=O.C=%10(C)C.O56.N37.C7%11.N48
|
O=C(/C=C/C1CCCCC1)N[C@H]1CC[C@H](NC(=O)CC2(O)CC2)C1
|
O=C/C=C/CCCCCC6))))))))N[C@H]CC[C@H]NC=O)CCO)CC3))))))C5
|
[O][=C][Branch1][O][/C][=C][/C][C][C][C][C][C][Ring1][=Branch1][N][C@H1][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][C][Ring1][Ring2][C][Ring1][=N]
|
C=7C1CCCCC1.[C@H]15CC[C@H]6C1.O=C3C=7.C4(=O)C8.C18(O)CC1.N35.N46
|
CC=CC(=O)N1CC(C)(C)C[C@H]1CNC(=O)[C@H](F)CCCCC
|
CC=CC=O)NCCC)C)C[C@H]5CNC=O)[C@H]F)CCCCC
|
[C][C][=C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][F][C][C][C][C][C]
|
C3(=O)[C@H](F)CCCCC.N12CC(C)(C)C[C@H]16.C=5C2=O.CC=5.C46.N34
|
O=C(N[C@H]1CC[C@@H](NC(=O)c2sccc2C2CC2)CC1)c1cccc(=O)o1
|
O=CN[C@H]CC[C@@H]NC=O)csccc5CCC3))))))))))CC6)))))))ccccc=O)o6
|
[O][=C][Branch2][Ring1][=C][N][C@H1][C][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][P][C][=C][C][=C][C][=Branch1][C][=O][O][Ring1][#Branch1]
|
[C@H]15CC[C@@H]6CC1.c17cccc(=O)o1.c18sccc19.O=C37.C48=O.C19CC1.N35.N46
|
Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N1CC(C(=O)OCc2ccccc2)C1
|
Cnnccc5[C@@H]OCC[C@H]5CNC=O)NCCC=O)OCcccccc6)))))))))C4
|
[C][N][N][=C][C][=C][Ring1][Branch1][C@@H1][O][C][C][C@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C]
|
Cn1nccc1%11.[C@@H]1%11OCC[C@H]19.c1%10ccccc1.N15CC8C1.C45=O.C38=O.C79.N47.O36.C6%10
|
CC[C@@H](O)C(=O)N1CCN(C(=O)CCCN=c2[nH]c3ccccc3o2)C[C@@H]1CF
|
CC[C@@H]O)C=O)NCCNC=O)CCCN=c[nH]cccccc6o9))))))))))))))C[C@@H]6CF
|
[C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][N][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C@@H1][Ring2][Ring1][Branch1][C][F]
|
C5(=O)CCCN=c1[nH]c2ccccc2o1.N14CCN5C[C@@H]16.CC[C@@H](O)C4=O.C6F
|
C=C=CCC(=O)N1CC[C@H]2C[C@]2(NC(=O)c2cc(C)sc2Br)CC1
|
C=C=CCC=O)NCC[C@H]C[C@]3NC=O)cccC)sc5Br))))))))CC8
|
[C][=C][=C][C][C][=Branch1][C][=O][N][C][C][C@H1][C][C@][Ring1][Ring1][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][Br][C][C][Ring2][Ring1][C]
|
N13CC[C@H]2C[C@]25CC1.c16cc(C)sc1Br.C=C=CCC3=O.C46=O.N45
|
CO[C@@H](C)CCC(=O)N1CC[C@](C)(NC(=O)c2cc(F)c(Cl)c(N)c2Cl)C1
|
CO[C@@H]C)CCC=O)NCC[C@]C)NC=O)cccF)cCl)cN)c6Cl)))))))))C5
|
[C][O][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][Cl][C][Branch1][C][N][=C][Ring1][=Branch2][Cl][C][Ring2][Ring1][Ring1]
|
c17cc(F)c(Cl)c(N)c1Cl.[C@H]5(C)CCC3=O.N13CC[C@@]6(C)C1.C47=O.CO5.N46
|
CC(C)COCCC(=O)N1CC[C@@H](N(CCO)C(=O)[C@@H]2CCC(C)(C)OC2)C1
|
CCC)COCCC=O)NCC[C@@H]NCCO)))C=O)[C@@H]CCCC)C)OC6))))))))C5
|
[C][C][Branch1][C][C][C][O][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][=Branch2][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C@@H1][C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][Branch2][C][Ring2][Ring1][Ring1]
|
[C@@H]19CCC(C)(C)OC1.N13CC[C@@H]8C1.C6CC3=O.CC(C)C5.N478.C7CO.C49=O.O56
|
O=C(c1cc(C(F)F)[nH]n1)N1CCC2(CC1)[C@@H](NC(=O)C1(O)CCC1)CS2(=O)=O
|
O=CcccCF)F))[nH]n5)))))NCCCCC6))[C@@H]NC=O)CO)CCC4))))))CS4=O)=O
|
[O][=C][Branch1][#C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][NH1][N][=Ring1][Branch2][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][C][C][Ring1][Branch1][C][S][Ring1][=C][=Branch1][C][=O][=O]
|
N13CCC2(CC1)[C@@H]5CS2(=O)=O.c16cc8[nH]n1.C17(O)CCC1.O=C36.C8(F)F.C47=O.N45
|
C[C@H]1CC[C@H](NC(=O)c2cc(-c3ccccc3F)on2)CN1C(=O)COC1CC1
|
C[C@H]CC[C@H]NC=O)ccc-cccccc6F)))))))on5)))))))CN6C=O)COCCC3
|
[C][C@H1][C][C][C@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][N][=Ring1][N][C][N][Ring2][Ring1][Branch1][C][=Branch1][C][=O][C][O][C][C][C][Ring1][Ring1]
|
C[C@H]1CC[C@H]8CN15.c1%10ccccc1F.c19cc%10on1.C5(=O)C6.C49=O.C17CC1.N48.O67
|
Cc1ccncc1C(=O)NC[C@]12CCC[C@H]1N(C(=O)CCn1ccnc1C)CC2
|
Ccccncc6C=O)NC[C@]CCC[C@H]5NC=O)CCnccnc5C)))))))))CC8
|
[C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@][C][C][C][C@H1][Ring1][Branch1][N][Branch1][#C][C][=Branch1][C][=O][C][C][N][C][=C][N][=C][Ring1][Branch1][C][C][C][Ring2][Ring1][C]
|
[C@]128CCC[C@H]1N4CC2.Cc1ccncc16.n17ccnc1C.C4(=O)CC7.C36=O.N35.C58
|
CCc1ccc(C(=O)NC2(CNC(=O)c3cc(Cl)ccc3C(F)F)CC2)nc1
|
CCccccC=O)NCCNC=O)cccCl)ccc6CF)F)))))))))))CC3)))))nc6
|
[C][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Branch1][C][F][F][C][C][Ring1][P][N][=C][Ring2][Ring1][#Branch2]
|
c19cc(Cl)ccc1%12.c1%11ccc8nc1.C16%10CC1.C48=O.C59=O.C%12(F)F.CC%11.N46.C7%10.N57
|
C=CC[C@H](CC(C)C)C(=O)NC[C@H](CO)NC(=O)C1=C(SC)CCCC1
|
C=CC[C@H]CCC)C)))C=O)NC[C@H]CO))NC=O)C=CSC))CCCC6
|
[C][=C][C][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][S][C][C][C][C][C][Ring1][Branch2]
|
C=CC[C@H](CC(C)C)C2=O.C3(=O)C1=C(SC)CCCC1.C4[C@@H]5CO.N24.N35
|
CCS(=O)(=O)N[C@H](C)C(=O)NCC12CC(CNC(=O)Cc3ccoc3C)(CO1)C2
|
CCS=O)=O)N[C@H]C)C=O)NCCCCCNC=O)Ccccoc5C))))))))))CO5))C4
|
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][S][C][N][C][=Branch1][C][=O][C][C][C][=C][O][C][=Ring1][Branch1][C][Branch1][Branch1][C][O][Ring1][S][C][Ring1][P]
|
C12%10CC%11(CO1)C2.c1%12ccoc1C.CCS9(=O)=O.[C@@H]6(C)C4=O.C5(=O)C%12.N69.N47.C7%10.C8%11.N58
|
O=C(CCn1cnnn1)N1CC[C@@](CO)(C(=O)NC[C@@H]2C[C@H]3CCC[C@H]3C2)C1
|
O=CCCncnnn5)))))))NCC[C@@]CO))C=O)NC[C@@H]C[C@H]CCC[C@H]5C8)))))))))))C5
|
[O][=C][Branch1][#Branch2][C][C][N][C][=N][N][=N][Ring1][Branch1][N][C][C][C@@][Branch1][Ring1][C][O][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][C][C][C][C@H1][Ring1][Branch1][C][Ring1][Branch2][C][Ring2][Ring1][Ring1]
|
[C@@H]1%10C[C@H]2CCC[C@H]2C1.N14CC[C@]79C1.O=C4CC8.n18cnnn1.C57=O.C9O.N56.C6%10
|
O=C(c1cccnc1-c1ccncc1)N1CC2(C1)CC1(CC(F)C1)C2
|
O=Cccccnc6-cccncc6))))))))))))NCCC4)CCCCF)C4)))C4
|
[O][=C][Branch1][P][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Branch1][=Branch2][C][C][Branch1][C][F][C][Ring1][Branch1][C][Ring1][=Branch2]
|
N13CC2(C1)CC1(CC(F)C1)C2.c14cccnc15.c15ccncc1.O=C34
|
Cn1ncc(C(=O)NC[C@@](C)(CO)NC(=O)c2nnc(O)nc2O)c1F
|
CnnccC=O)NC[C@@]C)CO))NC=O)cnncO)nc6O)))))))))))))c5F
|
[C][N][N][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=N][N][=C][Branch1][C][O][N][=C][Ring1][#Branch1][O][=C][Ring2][Ring1][Branch2][F]
|
c17nnc(O)nc1O.Cn1ncc8c1F.C5[C@@]6(C)CO.C38=O.C47=O.N35.N46
|
C[C@@H]1CC[C@@H](NC(=O)/C=C/C2(C)COC2)CN1C(=O)COc1cccc(F)c1
|
C[C@@H]CC[C@@H]NC=O)/C=C/CC)COC4))))))))CN6C=O)COcccccF)c6
|
[C][C@@H1][C][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][/C][=C][/C][Branch1][C][C][C][O][C][Ring1][Branch1][C][N][Ring1][S][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]
|
C[C@@H]1CC[C@@H]7CN14.c16cccc(F)c1.C=8C1(C)COC1.C3(=O)C=8.C4(=O)C5.N37.O56
|
Cc1c(CC(=O)N[C@@H]2C[C@H](O)[C@H]2CC(=O)N2CCC[C@](O)(C(N)=O)C2)ncn1C
|
CccCC=O)N[C@@H]C[C@H]O)[C@H]4CC=O)NCCC[C@]O)CN)=O))C6)))))))))))))))ncn5C
|
[C][C][=C][Branch2][Ring2][#Branch1][C][C][=Branch1][C][=O][N][C@@H1][C][C@H1][Branch1][C][O][C@H1][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][C@][Branch1][C][O][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][#Branch2][N][=C][N][Ring2][Ring1][O][C]
|
N14CCC[C@@]6(O)C1.Cc1c7ncn1C.[C@@H]15C[C@H](O)[C@H]18.C7C3=O.C8C4=O.C6(N)=O.N35
|
C[C@@H]1CN(C(=O)C2CC3(CC(O)C3)C2)C[C@@H](C)N(C(=O)CC(F)(F)F)C1
|
C[C@@H]CNC=O)CCCCCO)C4)))C4)))))C[C@@H]C)NC=O)CCF)F)F))))C7
|
[C][C@@H1][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][Branch1][=Branch2][C][C][Branch1][C][O][C][Ring1][Branch1][C][Ring1][Branch2][C][C@@H1][Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][=Branch2]
|
C[C@@H]1CN4C[C@@H](C)N5C1.C16CC2(C1)CC(O)C2.C5(=O)CC(F)(F)F.C46=O
|
CC(C)(CC(=O)NC[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cnccn1)C2)CC(F)F
|
CCC)CC=O)NC[C@@H]C[C@H]CC[C@H]6NC=O)ccnccn6)))))))C6))))))))))))CCF)F
|
[C][C][Branch1][C][C][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Ring1][=C][C][C][Branch1][C][F][F]
|
CC(C)(CC3=O)CC(F)F.[C@@H]17C[C@H]2CC[C@H]1N4C2.c16cnccn1.C46=O.N35.C57
|
CC/C=C(\C)C(=O)NCC1(COC)CCN(C(=O)Cc2cccc(C)c2)CC1
|
CC/C=C\C)C=O)NCCCOC)))CCNC=O)CcccccC)c6))))))))CC6
|
[C][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][N][C][C][Branch1][Ring2][C][O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1]
|
C189CCN4CC1.c1%10cccc(C)c1.C=7(C)C3=O.C4(=O)C%10.CCC=7.N36.C68.C59.O5C
|
C#Cc1ccc(C(=O)N[C@@H](C)CNC(=O)c2cc(C3CCCCC3)on2)o1
|
C#CccccC=O)N[C@@H]C)CNC=O)cccCCCCCC6))))))on5)))))))))))o5
|
[C][#C][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][O][N][=Ring1][O][O][Ring2][Ring1][=Branch2]
|
C#Cc1ccc8o1.c19cc%10on1.C1%10CCCCC1.[C@H]6(C)C7.C48=O.C59=O.N46.N57
|
CCC(CC)(CC)C(=O)N1CC(C2(NC(=O)c3ccc(F)c(O)c3)CC2)C1
|
CCCCC))CC))C=O)NCCCNC=O)ccccF)cO)c6))))))))CC3)))C4
|
[C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][Branch2][C][C][Ring1][=C][C][Ring2][Ring1][C]
|
CCC(CC)(CC)C4=O.N14CC(C26CC2)C1.c17ccc(F)c(O)c1.C57=O.N56
|
Cc1csc(-c2ccc(C(=O)N[C@H]3CC[C@@H](NC(=O)CN(C)C)CC3)cc2)n1
|
Cccsc-ccccC=O)N[C@H]CC[C@@H]NC=O)CNC)C)))))CC6))))))))cc6))))))n5
|
[C][C][=C][S][C][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Branch1][N][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][O]
|
c1%10ccc9cc1.[C@H]17CC[C@@H]8CC1.Cc1csc%10n1.C5(=O)C6.C49=O.N6(C)C.N47.N58
|
O=C([C@@H]1CCCS1)N1CC(F)(F)C[C@@H]1C(=O)N1CCC[C@@H]1c1cc(F)ccc1F
|
O=C[C@@H]CCCS5)))))NCCF)F)C[C@@H]5C=O)NCCC[C@@H]5cccF)ccc6F
|
[O][=C][Branch1][Branch2][C@@H1][C][C][C][S][Ring1][Branch1][N][C][C][Branch1][C][F][Branch1][C][F][C][C@@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F]
|
N12CC(F)(F)C[C@@H]15.c16cc(F)ccc1F.N13CCC[C@@H]16.[C@@H]14CCCS1.O=C24.C35=O
|
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