SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
O=C(N[C@H]1C[C@@H](CCNC(=O)[C@@H]2CCn3ncnc3C2)C1)C1=CCCCCC1
|
O=CN[C@H]C[C@@H]CCNC=O)[C@@H]CCnncnc5C9)))))))))))))C4)))))C=CCCCCC7
|
[O][=C][Branch2][Ring1][S][N][C@H1][C][C@@H1][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][N][N][=C][N][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring2][Ring1][C][C][=C][C][C][C][C][C][Ring1][#Branch1]
|
O=C4C1=CCCCCC1.[C@@H]18CCn2ncnc2C1.[C@H]17C[C@@H]9C1.C9C6.C58=O.N47.N56
|
NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2CC(F)(F)F)cn1
|
NS=O)=O)ccccC=O)NC[C@@H]CCCC[C@@H]6CCF)F)F))))))))))))cn6
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring2][Ring1][Branch1]
|
NS(=O)(=O)c1ccc5cn1.[C@@H]16CCCC[C@@H]17.C7C(F)(F)F.C35=O.N34.C46
|
Cc1cncc(CCNC(=O)[C@]23C[C@@H]2CCN3C(=O)CN2CCC[C@@H]2C)n1
|
CccnccCCNC=O)[C@]C[C@@H]3CCN6C=O)CNCCC[C@@H]5C))))))))))))))))))n6
|
[C][C][=C][N][=C][C][Branch2][Ring1][#C][C][C][N][C][=Branch1][C][=O][C@][C][C@@H1][Ring1][Ring1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][C][C][C@@H1][Ring1][Branch1][C][=N][Ring2][Ring1][#Branch2]
|
Cc1cncc9n1.[C@]128C[C@@H]1CCN25.N17CCC[C@@H]1C.C5(=O)C7.C9C6.C48=O.N46
|
NS(=O)(=O)c1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)CC34COCC(C3)C4)C2)co1
|
NS=O)=O)cccC=O)NC[C@H]CC[C@@H]NC=O)CCCOCCC6)C6)))))))))C5))))))))co5
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@H1][C][C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][#Branch1][C][Ring1][S][=C][O][Ring2][Ring1][=Branch2]
|
NS(=O)(=O)c1cc9co1.C12%11COCC(C1)C2.[C@H]1%10CC[C@@H]8C1.C6(=O)C%11.C59=O.N57.C7%10.N68
|
CC(C)N(CCNC(=O)c1coc2c1COC2)C(=O)c1ccc(OCCF)cn1
|
CCC)NCCNC=O)ccocc5COC5))))))))))))C=O)ccccOCCF))))cn6
|
[C][C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][O][C][=C][Ring1][Branch1][C][O][C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][O][C][C][F][C][=N][Ring1][#Branch2]
|
c1%11coc2c1COC2.c1%10ccc6cn1.CC7C.N478.C8C9.C3%11=O.C4%10=O.C5CF.N39.O56
|
CS(=O)(=O)c1cccc(CN2CCC[C@@H]2CCNC(=O)c2cc(Cl)c[nH]2)c1
|
CS=O)=O)cccccCNCCC[C@@H]5CCNC=O)cccCl)c[nH]5)))))))))))))))c6
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][N][C][C][C][C@@H1][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][NH1][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1]
|
CS(=O)(=O)c1cccc8c1.N14CCC[C@@H]17.c16cc(Cl)c[nH]1.C7C5.C36=O.C48.N35
|
Cc1cc(N2CC[C@@H](C3CCN(C(=O)c4cnn(C)c4C(F)F)CC3)C2)ncn1
|
CcccNCC[C@@H]CCCNC=O)ccnnC)c5CF)F))))))))CC6))))))C5)))))ncn6
|
[C][C][=C][C][Branch2][Ring2][#Branch2][N][C][C][C@@H1][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Branch1][C][F][F][C][C][Ring1][P][C][Ring2][Ring1][=Branch1][=N][C][=N][Ring2][Ring1][N]
|
N16CC[C@@H](C2CCN5CC2)C1.Cc1cc6ncn1.c17cnn(C)c18.C57=O.C8(F)F
|
O=[N+]([O-])c1cc(F)cc(N[C@@H](c2ccccn2)c2nnnn2C2CCCCC2)c1
|
O=[N+][O-])cccF)ccN[C@@H]cccccn6))))))cnnnn5CCCCCC6)))))))))))))c6
|
[O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring1][N][N][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2]
|
O=[N+]([O-])c1cc4cc(F)c1.c15ccccn1.c16nnnn17.C17CCCCC1.[C@H]356.N34
|
COCC=CC(=O)N1CCCC[C@@H]1[C@H]1CCN(C(=O)[C@@H]2CCC3(C2)N=N3)C1
|
COCC=CC=O)NCCCC[C@@H]6[C@H]CCNC=O)[C@@H]CCCC5)N=N3)))))))C5
|
[C][O][C][C][=C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@@H1][C][C][C][Branch1][Ring2][C][Ring1][Branch1][N][=N][Ring1][Ring2][C][Ring1][=C]
|
N14CCCC[C@@H]19.[C@@H]17CCC2(C1)N=N2.[C@H]19CCN5C1.C=8C4=O.C6C=8.C57=O.CO6
|
O=C1CCC[C@H](CC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)C1
|
O=CCCC[C@H]CC=O)NCcccccNC=O)cccccF)c6))))))))c6))))))))))C6
|
[O][=C][C][C][C][C@H1][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring1][S][C][Ring2][Ring1][O]
|
O=C1CCC[C@H]9C1.c1%10cccc7c1.c18cccc(F)c1.C9C4=O.C58=O.N46.C6%10.N57
|
Cn1cnc2ccc(NC(=O)CN3CCN(C(=O)[C@@H]4C[C@@H]4F)CC3=O)cc2c1=O
|
CncnccccNC=O)CNCCNC=O)[C@@H]C[C@@H]3F)))))CC6=O))))))))))cc6c%10=O
|
[C][N][C][=N][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C@@H1][C][C@@H1][Ring1][Ring1][F][C][C][Ring1][N][=O][C][=C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][O][=O]
|
Cn1cnc2ccc7cc2c1=O.N19CCN6CC1=O.C5(=O)C9.[C@@H]18C[C@@H]1F.C68=O.N57
|
O=C(NC[C@@]12CCC[C@H]1CCN2C(=O)C#CC1CCC1)c1nsnc1O
|
O=CNC[C@@]CCC[C@H]5CCN8C=O)C#CCCCC4)))))))))))))))))cnsnc5O
|
[O][=C][Branch2][Ring1][O][N][C][C@@][C][C][C][C@H1][Ring1][Branch1][C][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][#C][C][C][C][C][Ring1][Ring2][C][=N][S][N][=C][Ring1][Branch1][O]
|
[C@@]127CCC[C@H]1CCN24.C4(=O)C#CC1CCC1.c16nsnc1O.O=C36.N35.C57
|
Cc1cc(C(=O)N2CC(CO)(NC(=O)[C@H]3C[C@H]3F)C2)cc(C(F)(F)F)c1
|
CcccC=O)NCCCO))NC=O)[C@H]C[C@H]3F))))))C4)))))ccCF)F)F))c6
|
[C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][Branch1][N][N][C][=Branch1][C][=O][C@H1][C][C@H1][Ring1][Ring1][F][C][Ring1][=N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][=Branch2]
|
Cc1cc8cc%10c1.N14CC69C1.[C@H]17C[C@H]1F.C%10(F)(F)F.C48=O.C57=O.C9O.N56
|
CC1(CNC(=O)c2ccoc2)CN(Cc2ccc(OC(F)F)c(O)c2)C1
|
CCCNC=O)cccoc5))))))))CNCccccOCF)F)))cO)c6)))))))C4
|
[C][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][Branch1][C][O][=C][Ring1][O][C][Ring2][Ring1][=Branch2]
|
c19ccc4c(O)c1.CC18CN6C1.c17ccoc1.O4C(F)F.C37=O.C58.N35.C69
|
CC(=O)[C@H](C)C[C@H](C)C(=O)N1C[C@H]2CC[C@@]2(CCNC(=O)c2cncs2)C1
|
CC=O)[C@H]C)C[C@H]C)C=O)NC[C@H]CC[C@@]4CCNC=O)ccncs5)))))))))C7
|
[C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C@@][Ring1][Ring2][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][S][Ring1][Branch1][C][Ring1][P]
|
CC(=O)[C@H](C)C[C@H](C)C3=O.N13C[C@H]2CC[C@@]27C1.c16cncs1.C7C5.C46=O.N45
|
CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1nn2cccnc2c1Br
|
CCcc-cccncc6))))))n[nH]c5NC=O)cnncccnc6c9Br
|
[C][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][NH1][C][=Ring1][O][N][C][=Branch1][C][=O][C][=N][N][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][=Branch2][Br]
|
c15nn2cccnc2c1Br.c16c7n[nH]c14.c17ccncc1.C35=O.CC6.N34
|
COCCCONC(=O)[C@H](CCN(C)C)NC(=O)[C@@H](C)Cn1cccn1
|
COCCCONC=O)[C@H]CCNC)C))))NC=O)[C@@H]C)Cncccn5
|
[C][O][C][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][N][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][N][C][=C][C][=N][Ring1][Branch1]
|
O4NC(=O)[C@@H]5CC6.C2(=O)[C@@H](C)C7.n17cccn1.C3CC4.N6(C)C.CO3.N25
|
CCc1c[nH]c(C(=O)NCCCc2cn(CCc3cncc(C)n3)nn2)c1
|
CCcc[nH]cC=O)NCCCccnCCccnccC)n6))))))))nn5))))))))))c5
|
[C][C][C][=C][NH1][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][C][=C][N][Branch1][=C][C][C][C][=C][N][=C][C][Branch1][C][C][=N][Ring1][#Branch1][N][=N][Ring1][=C][=C][Ring2][Ring1][=Branch2]
|
c19cncc(C)n1.c1%10c[nH]c6c1.c18cn7nn1.C5CC8.C46=O.C7C9.CC%10.N45
|
CC(C)(C)OC(=O)[C@@H]1C[C@]1(Br)C(=O)N[C@@H]1c2ccccc2C2CC1C2
|
CCC)C)OC=O)[C@@H]C[C@]3Br)C=O)N[C@@H]cccccc6CCC%10C4
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C@@H1][C][C@][Ring1][Ring1][Branch1][C][Br][C][=Branch1][C][=O][N][C@@H1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#Branch2][C][Ring1][Ring2]
|
N4[C@@H]1c2ccccc2C2CC1C2.[C@@H]16C[C@@]17Br.CC5(C)C.C36=O.C47=O.O35
|
C=CCOc1ccc(C(=O)N2CCN(C(=O)COCC(C)(C)C)[C@H](C)[C@@H]2C)cc1
|
C=CCOccccC=O)NCCNC=O)COCCC)C)C))))))[C@H]C)[C@@H]6C))))))))cc6
|
[C][=C][C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][O][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][C][C][C@@H1][Ring1][S][C][C][=C][Ring2][Ring1][=Branch2]
|
N13CCN4[C@H](C)[C@@H]1C.c18ccc9cc1.C7C(C)(C)C.C4(=O)C6.C=CC5.C39=O.O58.O67
|
CC[C@@H]1CN(C(=O)COC(F)(F)F)CC[C@H]1NC(=O)C(C)(C)c1cc[nH]n1
|
CC[C@@H]CNC=O)COCF)F)F)))))CC[C@H]6NC=O)CC)C)ccc[nH]n5
|
[C][C][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][Branch1][C][F][Branch1][C][F][F][C][C][C@H1][Ring1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][NH1][N][=Ring1][Branch1]
|
[C@@H]17CN2CC[C@H]15.C3(=O)C6(C)C.O4C(F)(F)F.c16cc[nH]n1.C2(=O)C4.CC7.N35
|
CNC(=O)C(C)(C)CNC(=O)c1coc(CNC(=O)[C@H](O)C2CC2)c1
|
CNC=O)CC)C)CNC=O)ccocCNC=O)[C@H]O)CCC3)))))))c5
|
[C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][O][C][Branch1][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][C][C][Ring1][Ring1][=C][Ring1][=C]
|
C3(=O)C(C)(C)C6.c18coc9c1.C5(=O)[C@@H]%10O.C48=O.C1%10CC1.CN3.N46.C79.N57
|
CC1CN([C@H](C)C(=O)NC[C@@]2(C)CCCN(C(=O)c3cc(Cl)cc(F)c3N)C2)C1
|
CCCN[C@H]C)C=O)NC[C@@]C)CCCNC=O)cccCl)ccF)c6N))))))))C6))))))))))C4
|
[C][C][C][N][Branch2][Ring2][=N][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][C][Ring2][Ring1][C][C][Ring2][Ring1][N]
|
c18cc(Cl)cc(F)c1N.[C@]19(C)CCCN5C1.CC1CN6C1.[C@@H]6(C)C4=O.C58=O.N47.C79
|
CC1(NC(=O)c2cccc3[nH]ncc23)CCN(C(=O)[C@@H]2C[C@H]2C(F)(F)F)CC1
|
CCNC=O)ccccc[nH]ncc95)))))))))))CCNC=O)[C@@H]C[C@H]3CF)F)F))))))CC6
|
[C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring2][Ring1][O]
|
c18cccc2[nH]ncc12.CC16CCN5CC1.[C@@H]17C[C@H]19.C9(F)(F)F.C48=O.C57=O.N46
|
CCc1ncccc1[C@@H](NCC[C@@H]1CCSC1)c1nnnn1C1CCCCC1
|
CCcncccc6[C@@H]NCC[C@@H]CCSC5))))))))cnnnn5CCCCCC6
|
[C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][N][C][C][C@@H1][C][C][S][C][Ring1][Branch1][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1]
|
c14ncccc17.c15nnnn18.C18CCCCC1.[C@@H]16CCSC1.[C@H]257.C3C6.CC4.N23
|
CNc1cccc(C(=O)NC[C@H]2C[C@H](CNC(=O)[C@H](O)Cc3cnc[nH]3)C2)n1
|
CNcccccC=O)NC[C@H]C[C@H]CNC=O)[C@H]O)Cccnc[nH]5))))))))))C4)))))))n6
|
[C][N][C][=C][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@H1][C][C@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][C][=C][N][=C][NH1][Ring1][Branch1][C][Ring1][S][=N][Ring2][Ring1][#Branch2]
|
c18cccc9n1.C5(=O)[C@H](O)C%10.[C@H]1%11C[C@H]%12C1.c1%10cnc[nH]1.C49=O.CN8.N46.C6%11.C7%12.N57
|
CN[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)[C@H]2CCCC(=O)O2)C1
|
CN[C@@H]CCCNC=O)[C@H]C)NC=O)[C@H]CCCC=O)O6))))))))))C6
|
[C][N][C@@H1][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][C][=Branch1][C][=O][O][Ring1][#Branch1][C][Ring2][Ring1][Ring2]
|
[C@@H]16CCCN3C1.[C@H]17CCCC(=O)O1.C3(=O)[C@@H]5C.C47=O.CN6.N45
|
CN(CC(=O)N1CCC[C@@H](C2(NC(=O)c3cccc(=O)o3)CC2)C1)C(N)=O
|
CNCC=O)NCCC[C@@H]CNC=O)ccccc=O)o6))))))))CC3)))C6))))))))CN)=O
|
[C][N][Branch2][Ring2][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][Branch2][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][C][=O][O][Ring1][#Branch1][C][C][Ring1][=N][C][Ring2][Ring1][Ring1][C][Branch1][C][N][=O]
|
N14CCC[C@@H](C28CC2)C1.c19cccc(=O)o1.C7C4=O.CN67.C59=O.C6(N)=O.N58
|
C=CCCCC(C)(C)C(=O)NC[C@H]1C[C@H]2CC[C@H]1N2C(=O)c1cc(C(C)=O)on1
|
C=CCCCCC)C)C=O)NC[C@H]C[C@H]CC[C@H]6N5C=O)cccCC)=O))on5
|
[C][=C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][O][N][=Ring1][Branch2]
|
C=CCCCC(C)(C)C3=O.[C@H]18C[C@H]2CC[C@H]1N24.c16cc7on1.C46=O.C7(C)=O.N35.C58
|
C=CCCC(=O)N1CCC(CCN(C)C(=O)C(C)=C2CCCC2)CC1
|
C=CCCC=O)NCCCCCNC)C=O)CC)=CCCCC5))))))))))CC6
|
[C][=C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][C][C][C][Ring1][Branch1][C][C][Ring2][Ring1][Ring1]
|
N13CCC7CC1.C=CCCC3=O.C4(=O)C=6C.C1=6CCCC1.C7C5.N45C
|
CCSCCCNC(=O)[C@H](C1CCC2(CC1)CC2)N1C[C@@H](C)C[C@@H](C(N)=O)C1
|
CCSCCCNC=O)[C@H]CCCCCC6))CC3))))))NC[C@@H]C)C[C@@H]CN)=O))C6
|
[C][C][S][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Ring1][Branch1][N][C][C@@H1][Branch1][C][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][#Branch2]
|
C19CCC2(CC1)CC2.N15C[C@H]8C[C@H](C)C1.C3(=O)[C@@H]59.C7CC4.C8(N)=O.CC6.S67.N34
|
N=c1cc[nH]cc1CN1CCC(F)(CNC(=O)c2cc(Br)cnc2O)CC1
|
N=ccc[nH]cc6CNCCCF)CNC=O)cccBr)cnc6O))))))))))CC6
|
[N][=C][C][=C][NH1][C][=C][Ring1][=Branch1][C][N][C][C][C][Branch1][C][F][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][O][C][C][Ring2][Ring1][Ring1]
|
N14CCC7(F)CC1.c16cc(Br)cnc1O.N=c1cc[nH]cc18.C36=O.C48.C57.N35
|
CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)c1cocc1C(N)=O
|
CCC)C)C=O)NCCC[C@@H]5C=O)NCC[C@H]4CNC=O)ccocc5CN)=O
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][O][C][=C][Ring1][Branch1][C][Branch1][C][N][=O]
|
CC(C)(C)C2=O.N12CCC[C@@H]16.c17cocc18.N13CC[C@H]19.C36=O.C47=O.C8(N)=O.C59.N45
|
C[C@H]1CC[C@@H](NC(=O)c2cnc(C3CC3)o2)CN1C(=O)CC(=O)NCC1CC1
|
C[C@H]CC[C@@H]NC=O)ccncCCC3)))o5)))))))CN6C=O)CC=O)NCCCC3
|
[C][C@H1][C][C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][C][N][Ring1][P][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1]
|
C[C@H]1CC[C@@H]8CN15.c19cnc%11o1.C5(=O)CC6=O.C49=O.C1%11CC1.C1%10CC1.N48.N67.C7%10
|
C[C@](CO)(NC(=O)CCC[C@@H]1CCCO1)C(=O)N1CCC[C@@H](C(F)F)C1
|
C[C@]CO))NC=O)CCC[C@@H]CCCO5))))))))))C=O)NCCC[C@@H]CF)F))C6
|
[C][C@][Branch1][Ring1][C][O][Branch1][S][N][C][=Branch1][C][=O][C][C][C][C@@H1][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][F][F][C][Ring1][=Branch2]
|
C[C@@]4(CO)C3=O.N13CCC[C@@H]6C1.C2(=O)CCC5.[C@@H]15CCCO1.C6(F)F.N24
|
CCn1cc(Cl)cc1C(=O)N1C[C@@H](C)C[C@H](NC(=O)CC2(COC)CC2)C1
|
CCnccCl)cc5C=O)NC[C@@H]C)C[C@H]NC=O)CCCOC)))CC3))))))C6
|
[C][C][N][C][=C][Branch1][C][Cl][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][C][Branch1][Ring2][C][O][C][C][C][Ring1][=Branch1][C][Ring1][P]
|
N13C[C@@H]6C[C@H](C)C1.n18cc(Cl)cc17.C4(=O)C9.C19%10CC1.C37=O.CC8.N46.C5%10.O5C
|
CC(=O)NCC(=O)N1CC=C[C@]1(C)C(=O)N(C)[C@@H]1CN(C)C[C@H]1O
|
CC=O)NCC=O)NCC=C[C@]5C)C=O)NC)[C@@H]CNC)C[C@H]5O
|
[C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=C][C@][Ring1][Branch1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][N][Branch1][C][C][C][C@H1][Ring1][=Branch1][O]
|
N13CC=C[C@@]17C.[C@@H]16CN(C)C[C@H]1O.C5C3=O.CC2=O.C47=O.N46C.N25
|
CCS[C@@H](C)C(=O)N[C@@H]1CC[C@H]2CCN(C(=O)CS(=O)(=O)N(CC)CC)[C@H]1C2
|
CCS[C@@H]C)C=O)N[C@@H]CC[C@H]CCNC=O)CS=O)=O)NCC))CC))))))[C@H]8C6
|
[C][C][S][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C@H1][Ring2][Ring1][Ring1][C][Ring1][P]
|
[C@@H]1%10CC[C@H]2CCN4[C@H]1C2.C4(=O)CS9(=O)=O.[C@H]8(C)C3=O.N569.CC7.S78.N3%10.C5C.C6C
|
O=C(NC1([C@H]2CCCN(C(=O)Cc3nncs3)C2)CC1)c1ccc([N+](=O)[O-])[nH]1
|
O=CNC[C@H]CCCNC=O)Ccnncs5)))))))C6))))))CC3))))cccc[N+]=O)[O-]))[nH]5
|
[O][=C][Branch2][Ring1][S][N][C][Branch2][Ring1][#Branch1][C@H1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=N][N][=C][S][Ring1][Branch1][C][Ring1][=C][C][C][Ring1][P][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][NH1][Ring1][Branch2]
|
C16([C@H]2CCCN5C2)CC1.c17ccc([N+](=O)[O-])[nH]1.c18nncs1.C5(=O)C8.O=C47.N46
|
C[C@H](CNC(=O)[C@@H](C)c1cccc(Cl)c1)CN(C)C(=O)c1cnc[nH]c1=N
|
C[C@H]CNC=O)[C@@H]C)cccccCl)c6))))))))))CNC)C=O)ccnc[nH]c6=N
|
[C][C@H1][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][=C][NH1][C][Ring1][=Branch1][=N]
|
c17cccc(Cl)c1.c16cnc[nH]c1=N.C[C@H](C4)C5.C2(=O)[C@H]7C.N35C.C36=O.N24
|
CO[C@H]1C[C@@H](CNC(=O)CSC(C)C)N(C(=O)[C@H](O)C(C)(C)C)C1
|
CO[C@H]C[C@@H]CNC=O)CSCC)C)))))))NC=O)[C@H]O)CC)C)C))))C5
|
[C][O][C@H1][C][C@@H1][Branch1][=C][C][N][C][=Branch1][C][=O][C][S][C][Branch1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][=Branch1]
|
C3(=O)[C@H](O)C(C)(C)C.[C@H]14C[C@@H]8N3C1.C2(=O)C6.C7(C)C.CO4.C58.N25.S67
|
COC(=O)[C@@H](C)n1cc(CSCCNC(=O)c2sc(Br)cc2C)nn1
|
COC=O)[C@@H]C)nccCSCCNC=O)cscBr)cc5C))))))))))))nn5
|
[C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][=C][Branch2][Ring1][Branch1][C][S][C][C][N][C][=Branch1][C][=O][C][S][C][Branch1][C][Br][=C][C][=Ring1][=Branch1][C][N][=N][Ring2][Ring1][Ring1]
|
c18sc(Br)cc1C.n19cc%10nn1.C3(=O)[C@H]9C.C7C5.C48=O.CO3.C6%10.S67.N45
|
O=C(CC1CCCCC1(F)F)N1CCC(O)(c2cn(CC3CCCC3)nn2)CC1
|
O=CCCCCCCC6F)F))))))))NCCCO)ccnCCCCCC5))))))nn5)))))CC6
|
[O][=C][Branch1][=C][C][C][C][C][C][C][C][Ring1][=Branch1][Branch1][C][F][F][N][C][C][C][Branch1][C][O][Branch2][Ring1][C][C][=C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][N][=N][Ring1][O][C][C][Ring2][Ring1][C]
|
C16CCCCC1(F)F.N14CCC8(O)CC1.c18cn5nn1.C17CCCC1.O=C4C6.C57
|
CCC1(NC(=O)CC[C@H]2CCC[C@@H](O)C2)CN(C(=O)c2cccn(C)c2=O)C1
|
CCCNC=O)CC[C@H]CCC[C@@H]O)C6))))))))))CNC=O)ccccnC)c6=O))))))))C4
|
[C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C@H1][C][C][C][C@@H1][Branch1][C][O][C][Ring1][#Branch1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][Ring2][Ring1][#Branch2]
|
c16cccn(C)c1=O.[C@H]18CCC[C@@H](O)C1.C157CN4C1.C3(=O)CC8.C46=O.CC7.N35
|
CC[C@H](CNC(=O)Cc1cccc(F)c1F)NC(=O)CC(F)(F)C(C)(F)F
|
CC[C@H]CNC=O)CcccccF)c6F)))))))))))NC=O)CCF)F)CC)F)F
|
[C][C][C@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][N][C][=Branch1][C][=O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][C][Branch1][C][F][F]
|
C3(=O)CC(F)(F)C(C)(F)F.c16cccc(F)c1F.CC[C@@H]4C5.C2(=O)C6.N25.N34
|
COC(=O)[C@@H]1C[C@]1(C)C(=O)NCCc1ocnc1CNC(=O)Cc1cnoc1
|
COC=O)[C@@H]C[C@]3C)C=O)NCCcocnc5CNC=O)Cccnoc5
|
[C][O][C][=Branch1][C][=O][C@@H1][C][C@][Ring1][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][O][C][=N][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][C][=N][O][C][=Ring1][Branch1]
|
c1%10ocnc1%11.[C@@H]18C[C@@]19C.c13cnoc1.C5(=O)C3.C28=O.C49=O.C6C%10.CO2.N46.C7%11.N57
|
CC[C@H](O)CC(=O)N1CC[C@H](CC(=O)NC[C@@H]2CCCO2)C1
|
CC[C@H]O)CC=O)NCC[C@H]CC=O)NC[C@@H]CCCO5)))))))))C5
|
[C][C][C@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][#C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][O][Ring1][Branch1][C][Ring1][#C]
|
CC[C@H](O)CC3=O.N13CC[C@H]7C1.[C@@H]16CCCO1.C7C4=O.N45.C56
|
CC1(C)CCC[C@H](CCCNCc2nncs2)C1
|
CCC)CCC[C@H]CCCNCcnncs5))))))))))C6
|
[C][C][Branch1][C][C][C][C][C][C@H1][Branch1][=N][C][C][C][N][C][C][=N][N][=C][S][Ring1][Branch1][C][Ring1][P]
|
CC1(C)CCC[C@H]6C1.c15nncs1.C6CC3.N34.C45
|
CC(C)(C)C1(C)CC(C(=O)N[C@H]2[C@@H]3CN(C(=O)CC=C(Cl)Cl)C[C@@H]32)C1
|
CCC)C)CC)CCC=O)N[C@H][C@@H]CNC=O)CC=CCl)Cl)))))C[C@@H]56))))))))C4
|
[C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][C@@H1][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][Cl][Cl][C][C@@H1][Ring1][N][Ring1][=N][C][Ring2][Ring1][Branch1]
|
[C@@H]16[C@H]2CN5C[C@@H]12.C5(=O)CC=C(Cl)Cl.C18(C)CC7C1.CC8(C)C.C47=O.N46
|
COCCn1cc(C(=O)NCCO[C@@H]2CCN(C(=O)Cc3csc(Cl)c3)C2)cn1
|
COCCnccC=O)NCCO[C@@H]CCNC=O)CccscCl)c5)))))))C5))))))))))cn5
|
[C][O][C][C][N][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][O][C@@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][Ring1][=C][C][=N][Ring2][Ring1][=Branch2]
|
n1%11cc%10cn1.[C@@H]18CCN5C1.c1%12csc(Cl)c1.C5(=O)C%12.C6C%11.C4%10=O.C9C7.CO6.N49.O78
|
Cc1cc(C(=O)N2C[C@@H](CNC(=O)CC3(C)CCC3)C[C@@H]2C)n2nc(C)cc2n1
|
CcccC=O)NC[C@@H]CNC=O)CCC)CCC4))))))))C[C@@H]5C)))))))nncC)cc5n9
|
[C][C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][Ring1][Branch1][C][C@@H1][Ring1][#C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][N]
|
Cc1cc7n2nc(C)cc2n1.N14C[C@@H]8C[C@@H]1C.C19(C)CCC1.C5(=O)C9.C47=O.C68.N56
|
C[C@@H]1CN(C(=O)c2c[nH]ccc2=Nc2cnn(C)c2)CCN1C(=O)CC(F)(F)F
|
C[C@@H]CNC=O)cc[nH]ccc6=NccnnC)c5)))))))))))))CCN6C=O)CCF)F)F
|
[C][C@@H1][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][Ring1][=Branch1][=N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][N][Ring2][Ring1][Branch1][C][=Branch1][C][=O][C][C][Branch1][C][F][Branch1][C][F][F]
|
c15c[nH]ccc1=Nc1cnn(C)c1.C[C@@H]1CN3CCN14.C4(=O)CC(F)(F)F.C35=O
|
Cc1cc(C(=O)N[C@]23CO[C@H](C2)[C@H](NC(=O)C[C@H]2CCCCN2C)C3)sn1
|
CcccC=O)N[C@]CO[C@H]C5)[C@H]NC=O)C[C@H]CCCCN6C))))))))))C6))))))))sn5
|
[C][C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@][C][O][C@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][C][Ring2][Ring1][C][S][N][=Ring2][Ring1][#Branch2]
|
[C@]126CO[C@H](C1)[C@H]7C2.[C@H]19CCCCN1C.Cc1cc8sn1.C5(=O)C9.C48=O.N46.N57
|
CS[C@@H](C)CCC(=O)N1C[C@@]2(NC(=O)c3noc(C4CC4)c3C)CC[C@H]1C2
|
CS[C@@H]C)CCC=O)NC[C@@]NC=O)cnocCCC3)))c5C))))))))CC[C@H]6C5
|
[C][S][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C@@][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][Branch2][C][C][C][C@H1][Ring2][Ring1][C][C][Ring1][P]
|
N15C[C@@]28CC[C@H]1C2.[C@H]7(C)CCC5=O.c19noc%10c1C.C69=O.C1%10CC1.CS7.N68
|
O=C(CC1CCC1)N[C@@H]1C=CCN(C(=O)c2ccc(C(F)(F)C(F)(F)F)s2)C1
|
O=CCCCCC4)))))N[C@@H]C=CCNC=O)ccccCF)F)CF)F)F)))s5))))))C6
|
[O][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][N][C@@H1][C][=C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][N][C][Ring2][Ring1][Ring2]
|
[C@@H]15C=CCN4C1.C7(F)(F)C(F)(F)F.c16ccc7s1.O=C3C8.C18CCC1.C46=O.N35
|
CC1(F)CC(NC(=O)N2CC[C@H](OCc3cncs3)C2)C1
|
CCF)CCNC=O)NCC[C@H]OCccncs5)))))))C5)))))))C4
|
[C][C][Branch1][C][F][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][#Branch2][O][C][C][=C][N][=C][S][Ring1][Branch1][C][Ring1][N][C][Ring2][Ring1][Ring2]
|
CC1(F)CC8C1.N15CC[C@H]7C1.c19cncs1.C45=O.N48.O67.C69
|
CC[C@H](C(=O)N(C)[C@@H](C)CNC(=O)C(C)(C)N(C)S(C)(=O)=O)C(C)C
|
CC[C@H]C=O)NC)[C@@H]C)CNC=O)CC)C)NC)SC)=O)=O))))))))))CC)C
|
[C][C][C@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][C][C]
|
CC[C@H](C1=O)C(C)C.C2(=O)C5(C)C.[C@H]3(C)C4.S6(C)(=O)=O.N13C.N56C.N24
|
CC[C@H](CN(C)C(=O)c1sc(C)nc1C)NC(=O)CCN1CCOCC1=O
|
CC[C@H]CNC)C=O)cscC)nc5C)))))))))NC=O)CCNCCOCC6=O
|
[C][C][C@H1][Branch2][Ring1][Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][N][C][C][O][C][C][Ring1][=Branch1][=O]
|
c16sc(C)nc1C.N17CCOCC1=O.CC[C@@H]4C5.C3(=O)CC7.N25C.C26=O.N34
|
CC[C@@H](CNC(=O)C1(F)CCC(F)(F)CC1)NC(=O)[C@](C)(CC)CO
|
CC[C@@H]CNC=O)CF)CCCF)F)CC6)))))))))NC=O)[C@]C)CC))CO
|
[C][C][C@@H1][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][F][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][=Branch2][N][C][=Branch1][C][=O][C@][Branch1][C][C][Branch1][Ring1][C][C][C][O]
|
C16(F)CCC(F)(F)CC1.C3(=O)[C@](C)(CC)CO.CC[C@H]4C5.C26=O.N25.N34
|
CCOCCC(=O)NC[C@H]1CCCCN(C(=O)c2cccc(-c3ccc[nH]3)c2)C1
|
CCOCCC=O)NC[C@H]CCCCNC=O)ccccc-cccc[nH]5)))))c6)))))))C7
|
[C][C][O][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][=C][Ring1][O][C][Ring2][Ring1][Ring2]
|
[C@H]1%10CCCCN5C1.c19cccc%11c1.C7CC4=O.c1%11ccc[nH]1.C59=O.CC6.O67.N48.C8%10
|
C=C[C@H](CC)CC(=O)N1CCC[C@H](CNC(=O)CCSCC(N)=O)C1
|
C=C[C@H]CC))CC=O)NCCC[C@H]CNC=O)CCSCCN)=O)))))))))C6
|
[C][=C][C@H1][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][S][C][N][C][=Branch1][C][=O][C][C][S][C][C][Branch1][C][N][=O][C][Ring1][P]
|
C=C[C@H](CC)CC2=O.N12CCC[C@H]7C1.C3(=O)CC5.C6C(N)=O.C47.N34.S56
|
O=C(Cc1ccc(SC2CC2)cc1)N1CC[C@H](c2ccc(F)cc2Cl)C1
|
O=CCccccSCCC3))))cc6)))))))NCC[C@H]ccccF)cc6Cl)))))))C5
|
[O][=C][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][S][C][C][C][Ring1][Ring1][C][=C][Ring1][#Branch2][N][C][C][C@H1][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][C][Ring1][=N]
|
c17ccc(F)cc1Cl.c14ccc6cc1.N13CC[C@H]7C1.O=C3C4.C15CC1.S56
|
Cc1coc(C)c1C(=O)N1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CSc3ccccc3O1)C2
|
CccocC)c5C=O)N[C@@H]CC[C@H]5CNC=O)[C@H]CScccccc6O%10)))))))))))C7
|
[C][C][=C][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Ring1][Branch1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@H1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][Ring2][Ring1][Ring1]
|
[C@H]16CSc2ccccc2O1.N14[C@@H]2CC[C@H]1CN5C2.Cc1coc(C)c17.C47=O.C56=O
|
O=C1COc2ccc(C(=O)NCC3(NC(=O)c4csnc4Cl)CC3)nc2N1
|
O=CCOccccC=O)NCCNC=O)ccsnc5Cl))))))))CC3))))))nc6N%10
|
[O][=C][C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][S][N][=C][Ring1][Branch1][Cl][C][C][Ring1][N][N][=C][Ring2][Ring1][=Branch1][N][Ring2][Ring1][#Branch2]
|
O=C1COc2ccc9nc2N1.c1%10csnc1Cl.C18%11CC1.C59=O.C6%10=O.N57.C7%11.N68
|
CO[C@H](C)C1CN(C(=O)[C@H]2COC3(C2)CN(C(=O)c2cc4n(n2)CCO4)C3)C1
|
CO[C@H]C)CCNC=O)[C@H]COCC5)CNC=O)cccnn5)CCO5))))))))C4))))))))C4
|
[C][O][C@H1][Branch1][C][C][C][C][N][Branch2][Ring2][Branch2][C][=Branch1][C][=O][C@H1][C][O][C][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][O][Ring1][=Branch1][C][Ring1][#C][C][Ring2][Ring1][Branch2]
|
[C@H]19COC2(C1)CN6C2.c18cc2n(n1)CCO2.C1%10CN5C1.[C@H]7%10C.C59=O.C68=O.CO7
|
CNC(=O)COCC(=O)NC[C@](C)(CO)NC(=O)[C@H]1OCCc2c(O)cccc21
|
CNC=O)COCC=O)NC[C@]C)CO))NC=O)[C@H]OCCccO)cccc6%10
|
[C][N][C][=Branch1][C][=O][C][O][C][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][O][C][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][Ring1][O]
|
C5(=O)[C@H]1OCCc2c(O)cccc21.C8[C@]9(C)CO.C3(=O)C6.C7C4=O.CN3.O67.N48.N59
|
CC1(C)CN(C(=O)C[C@H]2CCNC(=O)C2)C[C@H](CNC(=O)c2cnc[nH]2)O1
|
CCC)CNC=O)C[C@H]CCNC=O)C6))))))))C[C@H]CNC=O)ccnc[nH]5))))))))O6
|
[C][C][Branch1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C@H1][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][C][C@H1][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][N][=C][NH1][Ring1][Branch1][O][Ring2][Ring1][#Branch2]
|
CC1(C)CN3C[C@H]7O1.[C@H]18CCNC(=O)C1.c16cnc[nH]1.C3(=O)C8.C46=O.C57.N45
|
COc1ccccc1[C@H](C)C(=O)N1CC(CCNC(=O)C2(C)CC(C#N)C2)C1
|
COcccccc6[C@H]C)C=O)NCCCCNC=O)CC)CCC#N))C4))))))))C4
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][Ring1][C][#N][C][Ring1][#Branch1][C][Ring1][S]
|
c15ccccc19.C17(C)CC(C#N)C1.[C@@H]9(C)C3=O.N13CC8C1.C8C6.C47=O.CO5.N46
|
COc1cnccc1CNCc1oc(C)cc1Br
|
COccnccc6CNCcocC)cc5Br
|
[C][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][N][C][C][O][C][Branch1][C][C][=C][C][=Ring1][=Branch1][Br]
|
c12cnccc16.c15oc(C)cc1Br.CO2.C36.N34.C45
|
C=C(C)CCC(=O)N1CCN(C(=O)C[C@H](NC(N)=O)c2ccccc2)C[C@H]1CC
|
C=CC)CCC=O)NCCNC=O)C[C@H]NCN)=O)))cccccc6)))))))))C[C@H]6CC
|
[C][=C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring2][Ring1][Ring2][C][C]
|
N13CCN4C[C@H]17.C=C(C)CCC3=O.C4(=O)C[C@H]68.c18ccccc1.C5(N)=O.N56.C7C
|
C[C@H]1[C@H]2CCCC[C@H]2O[C@H]1C(=O)N[C@H]1CCOC[C@H]1NC(=O)c1cc(=O)cc[nH]1
|
C[C@H][C@H]CCCC[C@H]6O[C@H]9C=O)N[C@H]CCOC[C@H]6NC=O)ccc=O)cc[nH]6
|
[C][C@H1][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][O][C@H1][Ring1][=Branch2][C][=Branch1][C][=O][N][C@H1][C][C][O][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][=C][NH1][Ring1][#Branch1]
|
C[C@H]1[C@H]2CCCC[C@H]2O[C@H]17.[C@H]15CCOC[C@H]16.c18cc(=O)cc[nH]1.C37=O.C48=O.N35.N46
|
CON(CCC(=O)NCCCN1CC=CC1)C(=O)[C@@H]1CCCCNC1=O
|
CONCCC=O)NCCCNCC=CC5))))))))))))C=O)[C@@H]CCCCNC7=O
|
[C][O][N][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][C][N][C][C][=C][C][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][C][N][C][Ring1][#Branch1][=O]
|
CON(CCC2=O)C5=O.[C@@H]15CCCCNC1=O.N14CC=CC1.C3CC4.N23
|
CC[C@@H](C)[C@@H](O)C(=O)N1CCN(C(=O)C=NOC)C[C@H]1c1ccncc1
|
CC[C@@H]C)[C@@H]O)C=O)NCCNC=O)C=NOC)))))C[C@H]6cccncc6
|
[C][C][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=Branch1][C][=O][C][=N][O][C][C][C@H1][Ring1][N][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
CC[C@@H](C)[C@@H](O)C2=O.N12CCN3C[C@H]14.C3(=O)C=NOC.c14ccncc1
|
CC(=O)NCCC(=O)NCCC(C)(C)C(=O)N[C@H]1CCC[C@H](C2CC2)C1
|
CC=O)NCCC=O)NCCCC)C)C=O)N[C@H]CCC[C@H]CCC3)))C6
|
[C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=Branch2]
|
[C@H]18CCC[C@H](C2CC2)C1.C7CC(C)(C)C5=O.C6CC4=O.CC3=O.N36.N47.N58
|
CC=CC(=O)N(C)Cc1ccc(CNC(=O)c2nc(N(C)C)ncc2Br)cc1
|
CC=CC=O)NC)CccccCNC=O)cncNC)C))ncc6Br))))))))))cc6
|
[C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][Ring1][=Branch2][Br][C][=C][Ring2][Ring1][Ring2]
|
c18nc7ncc1Br.c1%10ccc%11cc1.C=9C3=O.N35C.C48=O.N7(C)C.CC=9.C5%10.C6%11.N46
|
COCC(C)=CC(=O)N(C)C/C=C/C(=O)N1CCC=C(Cl)C1
|
COCCC)=CC=O)NC)C/C=C/C=O)NCCC=CCl)C6
|
[C][O][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][/C][=C][/C][=Branch1][C][=O][N][C][C][C][=C][Branch1][C][Cl][C][Ring1][#Branch1]
|
N13CCC=C(Cl)C1.C4C=6C.C=6C2=O.C=7C3=O.N25C.C5C=7.CO4
|
Cc1cc(NC(=O)C[C@@H](C)c2ccccc2F)n([C@@H]2CCOC2)n1
|
CcccNC=O)C[C@@H]C)cccccc6F)))))))))))n[C@@H]CCOC5)))))n5
|
[C][C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Branch1][Branch2][C@@H1][C][C][O][C][Ring1][Branch1][N][=Ring2][Ring1][#Branch1]
|
Cc1cc4n6n1.c15ccccc1F.C3(=O)C[C@H]5C.[C@@H]16CCOC1.N34
|
CC(C)C[C@@H](CNC(=O)c1snnc1C1CC1)NC(=O)CN(C)CCO
|
CCC)C[C@@H]CNC=O)csnnc5CCC3)))))))))))NC=O)CNC)CCO
|
[C][C][Branch1][C][C][C][C@@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][S][N][=N][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][O]
|
CC(C)C[C@H]4C5.c18snnc19.C3(=O)C6.C28=O.C19CC1.N67C.C7CO.N25.N34
|
CCC(CC)(CO)C(=O)N1CC(O)(CNC(=O)CC[C@]2(C)CCC(=O)N2)C1
|
CCCCC))CO))C=O)NCCO)CNC=O)CC[C@]C)CCC=O)N5))))))))))C4
|
[C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C@][Branch1][C][C][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Ring1][C]
|
CCC(CC)(CO)C3=O.[C@@]16(C)CCC(=O)N1.N13CC7(O)C1.C4(=O)CC6.C57.N45
|
C=C(C)C[C@@H](NC(=O)CCC(C)(C)C)C(=O)N[C@@H]1CC(=O)N(O)C1
|
C=CC)C[C@@H]NC=O)CCCC)C)C))))))C=O)N[C@@H]CC=O)NO)C5
|
[C][=C][Branch1][C][C][C][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][=Branch1][C][=O][N][Branch1][C][O][C][Ring1][#Branch1]
|
C=C(C)C[C@@H]4C3=O.C2(=O)CCC(C)(C)C.[C@@H]15CC(=O)N(O)C1.N24.N35
|
CC[C@H](C)[C@@H](O)C(=O)NC[C@H](C)CNC(=O)c1cnc(-c2cnn(C)c2)s1
|
CC[C@H]C)[C@@H]O)C=O)NC[C@H]C)CNC=O)ccnc-ccnnC)c5)))))s5
|
[C][C][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][S][Ring1][O]
|
CC[C@H](C)[C@@H](O)C3=O.c17cnc8s1.c18cnn(C)c1.C5[C@H](C)C6.C47=O.N35.N46
|
C[C@@H](N[C@@H]1CCC(=O)N(c2cnn(C)c2)C1)c1ccc(F)nc1
|
C[C@@H]N[C@@H]CCC=O)NccnnC)c5)))))C6)))))))ccccF)nc6
|
[C][C@@H1][Branch2][Ring1][=Branch2][N][C@@H1][C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Ring1][=N][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1]
|
[C@@H]14CCC(=O)N6C1.c15ccc(F)nc1.c16cnn(C)c1.C[C@@H]35.N34
|
Cc1cc(O)cc(CNC(=O)CCN(C(=O)CCOCC(C)C)C2CC2)c1
|
CcccO)ccCNC=O)CCNC=O)CCOCCC)C)))))))CCC3)))))))))c6
|
[C][C][=C][C][Branch1][C][O][=C][C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][O][C][C][Branch1][C][C][C][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][#Branch2]
|
Cc1cc%10cc(O)c1.C3(=O)CC8.C4(=O)CC5.C6C(C)C.N489.C19CC1.C7%10.N37.O56
|
Cc1ccc(F)c(OCC(=O)N(C)CC[C@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)c1
|
CccccF)cOCC=O)NC)CC[C@H]C)NC=O)[C@H]C[C@H]3CN)=O))))))))))))))c6
|
[C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][S][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][C@H1][Ring1][Ring1][C][Branch1][C][N][=O][=C][Ring2][Ring1][#Branch2]
|
Cc1ccc(F)c6c1.C7C[C@@H]8C.C5C3=O.[C@H]19C[C@H]1%10.N37C.C49=O.C%10(N)=O.O56.N48
|
COc1ccnc(CN2C[C@H](F)C[C@H](C(=O)Nc3ccc(C#N)cc3Cl)C2)c1
|
COcccncCNC[C@H]F)C[C@H]C=O)NccccC#N))cc6Cl)))))))))C6)))))))c6
|
[C][O][C][=C][C][=N][C][Branch2][Ring2][Ring1][C][N][C][C@H1][Branch1][C][F][C][C@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Cl][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch2]
|
c17ccc(C#N)cc1Cl.N16C[C@@H]8C[C@@H](F)C1.c15ccnc9c1.C48=O.CO5.C69.N47
|
COc1cccc(NCCC(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)c1
|
COcccccNCCC=O)NC[C@@H]C)CNC=O)OCC)C)C)))))))))))))c6
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Branch2]
|
c16cccc%10c1.C7CC3=O.C8[C@@H](C)C9.C5(C)(C)C.C24=O.CO6.N7%10.N38.N49.O25
|
COCCCC(=O)N1C[C@@H](OC)C[C@@H]1CNC(=O)C=Cc1ccccc1F
|
COCCCC=O)NC[C@@H]OC))C[C@@H]5CNC=O)C=Ccccccc6F
|
[C][O][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][Ring1][O][C][C][C@@H1][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
C=7c1ccccc1F.N12C[C@@H]5C[C@@H]18.C4CCC2=O.C3(=O)C=7.CO4.O5C.C68.N36
|
CCN(Cc1ccc(-c2ccc([C@H](C)O)cc2)cc1F)C(C)(C)CO
|
CCNCcccc-cccc[C@H]C)O))cc6))))))cc6F))))))))CC)C)CO
|
[C][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C@H1][Branch1][C][C][O][C][=C][Ring1][=Branch2][C][=C][Ring1][#C][F][C][Branch1][C][C][Branch1][C][C][C][O]
|
c16ccc8cc1F.c18ccc7cc1.C5(C)(C)CO.N345.[C@@H]7(C)O.CC3.C46
|
CC[C@H](C)N(CC(=O)OC)C(=O)c1cc2ccc(C)cn2n1
|
CC[C@H]C)NCC=O)OC))))C=O)ccccccC)cn6n9
|
[C][C][C@H1][Branch1][C][C][N][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][C][=C][N][Ring1][#Branch1][N][=Ring1][#Branch2]
|
c17cc2ccc(C)cn2n1.CC[C@@H]5C.C6C3=O.N456.C47=O.O3C
|
O=C(NC[C@H]1CCN1C(=O)C1(CF)CC1)c1cccc(C#CC2CC2)c1
|
O=CNC[C@H]CCN4C=O)CCF))CC3))))))))))cccccC#CCCC3)))))c6
|
[O][=C][Branch2][Ring1][=Branch1][N][C][C@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][Ring1][C][F][C][C][Ring1][Branch1][C][=C][C][=C][C][Branch1][Branch2][C][#C][C][C][C][Ring1][Ring1][=C][Ring1][O]
|
c17cccc(C#CC2CC2)c1.[C@H]18CCN14.C169CC1.O=C37.C46=O.N35.C58.C9F
|
COC(=O)N(C)CC(=O)N1C[C@H](NC(=O)c2c(Cl)sc(C)c2C)C[C@@H]1C
|
COC=O)NC)CC=O)NC[C@H]NC=O)ccCl)scC)c5C))))))))C[C@@H]5C
|
[C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][S][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C@@H1][Ring1][S][C]
|
c19c(Cl)sc(C)c1C.N15C[C@H]8C[C@@H]1C.C7C5=O.C34=O.N47C.C69=O.CO3.N68
|
CCc1nc(C)c(C(=O)N(C[C@H]2CCCN2C(=O)c2cncnc2)C2CC2)s1
|
CCcncC)cC=O)NC[C@H]CCCN5C=O)ccncnc6)))))))))))))CCC3)))))s5
|
[C][C][C][=N][C][Branch1][C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][Branch2][Ring1][Branch1][C][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][S][Ring2][Ring1][#Branch2]
|
c1%10nc(C)c7s1.[C@H]19CCCN14.c18cncnc1.C37=O.N356.C48=O.C16CC1.CC%10.C59
|
CSC[C@H](C)C(=O)N[C@@H]1CN(C(=O)Cc2ccnn2C(C)C)CC12CC2
|
CSC[C@H]C)C=O)N[C@@H]CNC=O)Ccccnn5CC)C)))))))))CC5CC3
|
[C][S][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][=N][N][Ring1][Branch1][C][Branch1][C][C][C][C][C][Ring1][S][C][C][Ring1][Ring1]
|
[C@@H]16CN4CC12CC2.C5[C@H](C)C3=O.c18ccnn17.C4(=O)C8.C7(C)C.CS5.N36
|
CCc1cnc(C(=O)N(C)CCCNC(=O)CN(C)[C@@H]2CCC[C@H]2O)cn1
|
CCccncC=O)NC)CCCNC=O)CNC)[C@@H]CCC[C@H]5O)))))))))))))))cn6
|
[C][C][C][=C][N][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C@@H1][C][C][C][C@H1][Ring1][Branch1][O][C][=N][Ring2][Ring1][=Branch2]
|
c1%10cnc9cn1.[C@@H]18CCC[C@H]1O.C5CC6.C4(=O)C7.C39=O.N35C.N78C.CC%10.N46
|
CC(C)CSCC(=O)N[C@]1(CNC(=O)CCC2CCC(O)CC2)CCOC1
|
CCC)CSCC=O)N[C@]CNC=O)CCCCCCO)CC6)))))))))))CCOC5
|
[C][C][Branch1][C][C][C][S][C][C][=Branch1][C][=O][N][C@][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][C][O][C][Ring2][Ring1][C]
|
C1%10CCC(O)CC1.[C@@]159CCOC1.C4(=O)CC%10.CC(C)C7.C8C3=O.S78.N35.C69.N46
|
CN=c1[nH]cc(C(=O)N2C[C@H]3C[C@H]2C[C@H]3NC(=O)C=Cc2csc(C)n2)s1
|
CN=c[nH]ccC=O)NC[C@H]C[C@H]5C[C@H]5NC=O)C=CccscC)n5)))))))))))))))))s5
|
[C][N][=C][NH1][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@H1][C][C@H1][Ring1][Branch1][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][S][Ring2][Ring1][=Branch2]
|
N14C[C@H]2C[C@H]1C[C@H]26.CN=c1[nH]cc7s1.C=8c1csc(C)n1.C5(=O)C=8.C47=O.N56
|
CCC1CC(CC(=O)NC[C@@H]2C[C@H]2NC(=O)c2cc(-c3cccs3)on2)C1
|
CCCCCCC=O)NC[C@@H]C[C@H]3NC=O)ccc-ccccs5)))))on5))))))))))))))C4
|
[C][C][C][C][C][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][N][=Ring1][#Branch2][C][Ring2][Ring1][=Branch2]
|
c18cc%12on1.C19CC%10C1.c1%12cccs1.C%10C4=O.[C@@H]1%11C[C@H]17.C58=O.CC9.N46.C6%11.N57
|
CN1CC(C)(C)C[C@H]1C(=O)N1CCC[C@@H](NC(=O)Cc2ccn(C)n2)C1
|
CNCCC)C)C[C@H]5C=O)NCCC[C@@H]NC=O)CcccnC)n5))))))))C6
|
[C][N][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][C][Ring1][S]
|
CN1CC(C)(C)C[C@H]16.N13CCC[C@@H]5C1.c17ccn(C)n1.C4(=O)C7.C36=O.N45
|
C[C@H]1[C@@H](N(C)C)CCN1C(=O)CONC(=O)c1ccn2nccc2c1
|
C[C@H][C@@H]NC)C))CCN5C=O)CONC=O)cccnnccc5c9
|
[C][C@H1][C@@H1][Branch1][=Branch1][N][Branch1][C][C][C][C][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][O][N][C][=Branch1][C][=O][C][C][=C][N][N][=C][C][=C][Ring1][Branch1][C][=Ring1][=Branch2]
|
c16ccn2nccc2c1.C[C@H]1[C@@H]5CCN13.O4NC6=O.C3(=O)C4.N5(C)C
|
COC(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](NC(=O)CC(C)(C)C)C2)c1
|
COC=O)ccccCl)cC=O)NCCC[C@H]NC=O)CCC)C)C)))))C6)))))))c6
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=C][=C][Ring2][Ring1][#Branch1]
|
c17ccc(Cl)c8c1.N14CCC[C@H]6C1.C5(=O)CC(C)(C)C.C37=O.C48=O.CO3.N56
|
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