SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
---|---|---|---|
COC(=O)[C@@H](N)[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br
|
COC=O)[C@@H]N)[C@@H]C)NC=O)cccF)cc[N+]=O)[O-]))c6Br
|
[C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][Br]
|
c15cc(F)cc([N+](=O)[O-])c1Br.C2(=O)[C@@H](N)[C@H]4C.C35=O.CO2.N34
|
O=C([C@H]1CC12CC(O)C2)N1CCN(C(=O)C=Cc2ccc(F)cc2)[C@@H](C2CC2)C1
|
O=C[C@H]CC3CCO)C4))))))NCCNC=O)C=CccccF)cc6)))))))))[C@@H]CCC3)))C6
|
[O][=C][Branch1][=C][C@H1][C][C][Ring1][Ring1][C][C][Branch1][C][O][C][Ring1][Branch1][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][Ring2]
|
N13CCN4[C@@H]7C1.C=6c1ccc(F)cc1.[C@H]15CC12CC(O)C2.C4(=O)C=6.O=C35.C17CC1
|
CCc1ccccc1[C@@H](CNC(=O)c1cnc(Cl)s1)NC(=O)CC(F)(F)C(C)C
|
CCcccccc6[C@@H]CNC=O)ccncCl)s5))))))))NC=O)CCF)F)CC)C
|
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][Cl][S][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][C][C]
|
C3(=O)CC(F)(F)C(C)C.c17ccccc18.c16cnc(Cl)s1.[C@H]48C5.C26=O.CC7.N25.N34
|
C[C@H]1CCN(C(=O)CN2CCCCC2=O)C[C@H]1NC(=O)c1ccc(P(C)(C)=O)o1
|
C[C@H]CCNC=O)CNCCCCC6=O)))))))))C[C@H]6NC=O)ccccPC)C)=O))o5
|
[C][C@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][C@H1][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][P][Branch1][C][C][Branch1][C][C][=O][O][Ring1][=Branch2]
|
c16ccc(P(C)(C)=O)o1.C[C@H]1CCN3C[C@H]15.N17CCCCC1=O.C3(=O)C7.C46=O.N45
|
Cc1cnc(CNC(=O)C[C@@H](C)C(C)(C)NC(=O)Cn2cc(Cl)cn2)cn1
|
CccncCNC=O)C[C@@H]C)CC)C)NC=O)CnccCl)cn5))))))))))))))cn6
|
[C][C][=C][N][=C][Branch2][Ring2][Ring1][C][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][Cl][C][=N][Ring1][=Branch1][C][=N][Ring2][Ring1][#Branch2]
|
C3(=O)C[C@@H](C)C6(C)C.Cc1cnc8cn1.n17cc(Cl)cn1.C4(=O)C7.C58.N35.N46
|
C=C(C)Cn1nnnc1[C@]1(Nc2cc(C)cc(C#N)c2)CCO[C@H]1C
|
C=CC)Cnnnnc5[C@]NcccC)ccC#N))c6)))))))CCO[C@H]5C
|
[C][=C][Branch1][C][C][C][N][N][=N][N][=C][Ring1][Branch1][C@][Branch1][P][N][C][=C][C][Branch1][C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][C][C][O][C@H1][Ring1][#C][C]
|
c14cc(C)cc(C#N)c1.[C@]136CCO[C@H]1C.n15nnnc16.C=C(C)C5.N34
|
N=c1[nH]c(C(=O)N2CC(N3CCN(C(=O)c4cncc5sccc45)CC3)C2)cs1
|
N=c[nH]cC=O)NCCNCCNC=O)ccnccsccc95))))))))))CC6))))))C4)))))cs5
|
[N][=C][NH1][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=N][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][N][=C][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][P][C][Ring2][Ring1][Branch1][=C][S][Ring2][Ring1][N]
|
c1%10cncc2sccc12.N18CCN7CC1.N=c1[nH]c9cs1.N16CC8C1.C69=O.C7%10=O
|
C[C@@H](CCCCNC(=O)CO[C@@H]1CCOC1)NC(=O)C/C=C/c1ccccc1
|
C[C@@H]CCCCNC=O)CO[C@@H]CCOC5)))))))))))))NC=O)C/C=C/cccccc6
|
[C][C@@H1][Branch2][Ring1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][O][C@@H1][C][C][O][C][Ring1][Branch1][N][C][=Branch1][C][=O][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1]
|
C[C@H]6CCCC7.C=8c1ccccc1.[C@@H]15CCOC1.C3(=O)CC=8.C2(=O)C4.N27.O45.N36
|
C[C@H](C(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2F)CC1)c1ccc(O)cc1
|
C[C@H]C=O)NCCNCccc[N+]=O)[O-]))ccc6F))))))))CC6)))))))ccccO)cc6
|
[C][C@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][F][C][C][Ring1][P][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
c16cc([N+](=O)[O-])ccc1F.N13CCN4CC1.c15ccc(O)cc1.C[C@@H]5C3=O.C46
|
CCC[C@@H](CCCNC(=O)Cc1ncccc1C)NC(=O)c1cn(C2CC2)cn1
|
CCC[C@@H]CCCNC=O)Ccncccc6C)))))))))))))NC=O)ccnCCC3)))cn5
|
[C][C][C][C@@H1][Branch2][Ring1][Ring1][C][C][C][N][C][=Branch1][C][=O][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=N][Ring1][Branch2]
|
CCC[C@H]5CCC6.c18ncccc1C.c17cn9cn1.C3(=O)C8.C47=O.C19CC1.N36.N45
|
CNC(=O)c1cccc(C(=O)N(C)C2CN(C(=O)[C@H](C)Sc3nncn3C)C2)n1
|
CNC=O)cccccC=O)NC)CCNC=O)[C@H]C)Scnncn5C)))))))))C4))))))n6
|
[C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][Ring1][#C][=N][Ring2][Ring1][=Branch2]
|
c19cccc%10n1.c1%11nncn1C.C18CN6C1.C6(=O)[C@@H]7C.C49=O.C5%10=O.N58C.CN4.S7%11
|
Cc1csc([C@H](C)C(=O)N2CC(CO)(NC(=O)C[C@H]3CCCC(C)(C)C3)C2)n1
|
Cccsc[C@H]C)C=O)NCCCO))NC=O)C[C@H]CCCCC)C)C6)))))))))C4))))))n5
|
[C][C][=C][S][C][Branch2][Ring2][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C@H1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][Ring2][Ring1][C][=N][Ring2][Ring1][O]
|
[C@H]19CCCC(C)(C)C1.Cc1csc7n1.N14CC68C1.[C@@H]7(C)C4=O.C5(=O)C9.C8O.N56
|
Cc1cccc(Cl)c1CC(=O)N[C@@H](C)[C@@H](CO)NC(=O)c1nc2ncccn2n1
|
CcccccCl)c6CC=O)N[C@@H]C)[C@@H]CO))NC=O)cncncccn6n9
|
[C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][N][=C][N][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2]
|
c17nc2ncccn2n1.Cc1cccc(Cl)c18.[C@H]5(C)[C@H]6CO.C8C3=O.C47=O.N35.N46
|
Cc1ncc(NC(=O)/C=C/CF)c(C2CC2)n1
|
CcnccNC=O)/C=C/CF))))))cCCC3)))n6
|
[C][C][=N][C][=C][Branch1][#Branch2][N][C][=Branch1][C][=O][/C][=C][/C][F][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][S]
|
Cc1ncc4c6n1.C3(=O)C=5.C=5CF.C16CC1.N34
|
C[C@@H]1COc2c(NC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)s3)cnn2C1
|
C[C@@H]COccNC=O)[C@H]CCCN5C=O)ccccCl)s5)))))))))))))cnn5C9
|
[C][C@@H1][C][O][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][=N][N][Ring2][Ring1][Branch1][C][Ring2][Ring1][=Branch2]
|
C[C@@H]1COc2c6cnn2C1.[C@H]17CCCN15.c18ccc(Cl)s1.C47=O.C58=O.N46
|
C#CC1(C(=O)NC2CN(CC)C2)CN(C(=O)CCCc2cnn[nH]2)C1
|
C#CCC=O)NCCNCC))C4))))))CNC=O)CCCccnn[nH]5)))))))))C4
|
[C][#C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][Branch1][Ring1][C][C][C][Ring1][=Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][C][=C][N][=N][NH1][Ring1][Branch1][C][Ring2][Ring1][#Branch1]
|
C#CC17CN4C1.C4(=O)CCC8.C16CN5C1.c18cnn[nH]1.C37=O.N36.C5C
|
Cc1ccc2c(C(=O)NC[C@](C)(CO)NC(=O)CC3=CCOCC3)ccnc2c1
|
CcccccC=O)NC[C@]C)CO))NC=O)CC=CCOCC6)))))))))))))ccnc6c%10
|
[C][C][=C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][=C][C][O][C][C][Ring1][=Branch1][=C][C][=N][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N]
|
Cc1ccc2c8ccnc2c1.C5(=O)CC1=CCOCC1.C6[C@]7(C)CO.C48=O.N46.N57
|
O=C(C[C@@H]1CCOC1)N1C[C@H]2CCC[C@@H](C1)N2C(=O)CCSc1ccc(F)cc1
|
O=CC[C@@H]CCOC5))))))NC[C@H]CCC[C@@H]C8)N6C=O)CCSccccF)cc6
|
[O][=C][Branch1][=Branch2][C][C@@H1][C][C][O][C][Ring1][Branch1][N][C][C@H1][C][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][#Branch1][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
N13C[C@H]2CCC[C@@H](C1)N24.c17ccc(F)cc1.[C@@H]16CCOC1.C4(=O)CC5.O=C3C6.S57
|
CC(C)[C@@H](NC(=O)C1=CCCOCC1)C(=O)NC1CN(c2ncco2)C1
|
CCC)[C@@H]NC=O)C=CCCOCC7)))))))))C=O)NCCNcncco5)))))C4
|
[C][C][Branch1][C][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][C][O][C][C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][Branch2][C][=N][C][=C][O][Ring1][Branch1][C][Ring1][=Branch2]
|
C3(=O)C1=CCCOCC1.CC(C)[C@@H]5C4=O.C17CN6C1.c16ncco1.N35.N47
|
COC(=O)c1ccccc1OCCNC(=O)N[C@H](C)c1nccc2ccccc12
|
COC=O)cccccc6OCCNC=O)N[C@H]C)cncccccccc%106
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
c1%11nccc2ccccc12.c1%10ccccc17.C3%10=O.C6C8.C45=O.[C@H]9%11C.CO3.O67.N48.N59
|
CCn1cnnc1C(=O)N1CC([C@H]2CCCN(C(=O)[C@H](CCSC)NC=O)C2)C1
|
CCncnnc5C=O)NCC[C@H]CCCNC=O)[C@H]CCSC))))NC=O)))))C6))))))C4
|
[C][C][N][C][=N][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch2][C@H1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][=O][C][Ring1][S][C][Ring2][Ring1][Ring2]
|
N13CC([C@H]2CCCN4C2)C1.C4(=O)[C@@H]5CC6.n18cnnc17.C37=O.N5C=O.CC8.S6C
|
CCCN(CCC)c1ccc(NC(=O)N[C@H]2CC[C@@]3(C2)CC3(F)F)cc1
|
CCCNCCC)))ccccNC=O)N[C@H]CC[C@@]C5)CC3F)F))))))))))cc6
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C@H1][C][C][C@@][Branch1][Ring2][C][Ring1][Branch1][C][C][Ring1][Ring2][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring1]
|
[C@H]1%10CC[C@@]2(C1)CC2(F)F.c18ccc9cc1.CCC6.N678.C7CC.C45=O.N49.N5%10
|
CC[C@@H](CNC(=O)[C@]1(C)CCn2c(C)nnc21)NC(=O)CCCCN1CCCC1
|
CC[C@@H]CNC=O)[C@]C)CCncC)nnc58)))))))))))NC=O)CCCCNCCCC5
|
[C][C][C@@H1][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][C][N][C][C][C][C][Ring1][Branch1]
|
C3(=O)[C@]1(C)CCn2c(C)nnc21.C4(=O)CCCC7.CC[C@H]5C6.N17CCCC1.N36.N45
|
CC(C)[C@H](NS(C)(=O)=O)C(=O)NC[C@H](C)CNC(=O)CNc1cccc(C#N)c1
|
CCC)[C@H]NSC)=O)=O)))C=O)NC[C@H]C)CNC=O)CNcccccC#N))c6
|
[C][C][Branch1][C][C][C@H1][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2]
|
c19cccc(C#N)c1.CC(C)[C@H]4C2=O.C5[C@H](C)C6.S8(C)(=O)=O.C3(=O)C7.N48.N25.N36.N79
|
Cc1cc(C(=O)NC[C@H](CO)NC(=O)CCOC2CCC2)no1
|
CcccC=O)NC[C@H]CO))NC=O)CCOCCCC4)))))))))))))no5
|
[C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][O][C][C][C][C][Ring1][Ring2][=N][O][Ring2][Ring1][=Branch1]
|
Cc1cc9no1.C7[C@@H]8CO.C4(=O)CC5.C16CCC1.C39=O.N37.N48.O56
|
O=C(CC1(C(F)F)CC1)NCCN(Cc1ccccc1)C(=O)C1=C[S@@+]([O-])CCC1
|
O=CCCCF)F))CC3))))NCCNCcccccc6)))))))C=O)C=C[S@@+][O-])CCC6
|
[O][=C][Branch1][=C][C][C][Branch1][=Branch1][C][Branch1][C][F][F][C][C][Ring1][=Branch1][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][S@@+1][Branch1][C][O-1][C][C][C][Ring1][#Branch1]
|
C3(=O)C1=C[S@@+]([O-])CCC1.c19ccccc1.O=C2C7.C178CC1.C8(F)F.C4C5.N356.N24.C69
|
Cc1cc(Cl)ccc1OCC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@@H](F)C2)C[C@H]1O
|
CcccCl)ccc6OCC=O)N[C@H]CCNC=O)[C@H]C[C@@H]F)C4)))))C[C@H]6O
|
[C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch1][C][F][C][Ring1][Branch1][C][C@H1][Ring1][=N][O]
|
Cc1cc(Cl)ccc16.[C@H]17CCN4C[C@H]1O.[C@H]18C[C@@H](F)C1.C5C3=O.C48=O.O56.N37
|
C[C@@H]1C[C@@H](C)[C@H](C(=O)N2CC3(F)CC(CNC(=O)CSCC(N)=O)(C2)C3)O1
|
C[C@@H]C[C@@H]C)[C@H]C=O)NCCF)CCCNC=O)CSCCN)=O))))))))C6)C4)))))))O5
|
[C][C@@H1][C][C@@H1][Branch1][C][C][C@H1][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][F][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][S][C][C][Branch1][C][N][=O][Branch1][Ring2][C][Ring1][P][C][Ring1][S][O][Ring2][Ring1][#Branch2]
|
N14CC2%10CC(F)(C1)C2.C[C@@H]1C[C@@H](C)[C@H]9O1.C5(=O)C7.C8C(N)=O.C49=O.C6%10.N56.S78
|
COc1oc(C)nc1C(=O)NCCc1ocnc1CNC(=O)[C@@H]1[C@H]2CCCO[C@H]21
|
COcocC)nc5C=O)NCCcocnc5CNC=O)[C@@H][C@H]CCCO[C@H]67
|
[C][O][C][O][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][O][C][=N][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C@@H1][C@H1][C][C][C][O][C@H1][Ring1][=Branch1][Ring1][#Branch1]
|
c15oc(C)nc18.[C@@H]19[C@H]2CCCO[C@@H]12.c1%10ocnc1%11.C38=O.C6C%10.C49=O.CO5.N36.C7%11.N47
|
CCCc1ncoc1C(=O)NC1CCC2(CC1)CC(NC(=O)CSCC(C)C)C2
|
CCCcncoc5C=O)NCCCCCC6))CCNC=O)CSCCC)C)))))))C4
|
[C][C][C][C][N][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][S][C][C][Branch1][C][C][C][C][Ring1][#C]
|
C17CCC2(CC1)CC8C2.c1%10ncoc19.C4(=O)C5.C6C(C)C.CCC%10.C39=O.N37.N48.S56
|
CC(=NO)c1cc(C(=O)NCCO[C@@H]2CCN(C(=O)C[C@@H](C)CF)C2)cnc1O
|
CC=NO))cccC=O)NCCO[C@@H]CCNC=O)C[C@@H]C)CF)))))C5))))))))))cnc6O
|
[C][C][=Branch1][Ring1][=N][O][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][O][C@@H1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][F][C][Ring1][N][=C][N][=C][Ring2][Ring1][Branch2][O]
|
CC(=NO)c1cc8cnc1O.C4(=O)C[C@@H](C)CF.[C@@H]16CCN4C1.C38=O.C7C5.N37.O56
|
CN(C)Cc1ccc(C(=O)N2CCCCC3(C2)CN(C(=O)C2(C)CC2)C3)o1
|
CNC)CccccC=O)NCCCCCC7)CNC=O)CC)CC3))))C4))))))))))o5
|
[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring1][Ring2][C][Ring1][O][O][Ring2][Ring1][#Branch1]
|
N14CCCCC2(C1)CN5C2.c19ccc7o1.C18(C)CC1.CN6C.C47=O.C58=O.C69
|
CC(C)c1ncc(C(=O)N(C)C[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C2)s1
|
CCC)cnccC=O)NC)C[C@@H]CCNC=O)CC)C)NCCCCC6))))))))C5))))))))s5
|
[C][C][Branch1][C][C][C][=N][C][=C][Branch2][Ring2][#Branch1][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][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][S][S][Ring2][Ring1][#Branch2]
|
c19ncc8s1.[C@@H]1%10CCN5C1.C5(=O)C7(C)C.N17CCCCC1.CC9C.C48=O.N46C.C6%10
|
Cn1nnc(C(=O)N2CCC3(CCC3)[C@@H](CNC(=O)c3cccnc3F)C2)c1N
|
CnnncC=O)NCCCCCC4)))[C@@H]CNC=O)ccccnc6F))))))))))C6)))))))c5N
|
[C][N][N][=N][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C@@H1][Branch1][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][F][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][O][N]
|
N14CCC2(CCC2)[C@@H]9C1.Cn1nnc7c1N.c18cccnc1F.C47=O.C58=O.C69.N56
|
O=C(Cn1nnc(=O)[nH]1)N[C@@H]1CCCC[C@H]1NC(=O)[C@]1(CO)CCCO1
|
O=CCnnnc=O)[nH]5))))))N[C@@H]CCCC[C@H]6NC=O)[C@]CO))CCCO5
|
[O][=C][Branch1][N][C][N][N][=N][C][=Branch1][C][=O][NH1][Ring1][=Branch1][N][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C@][Branch1][Ring1][C][O][C][C][C][O][Ring1][#Branch1]
|
[C@@H]14CCCC[C@H]15.n17nnc(=O)[nH]1.[C@@]168CCCO1.O=C2C7.C36=O.N24.N35.C8O
|
Cc1nnn(CC(=O)N[C@@H]2CC[C@H]2CNC(=O)c2ccnc(-n3ccnc3)c2)n1
|
CcnnnCC=O)N[C@@H]CC[C@H]4CNC=O)cccnc-nccnc5)))))c6))))))))))))))))n5
|
[C][C][N][=N][N][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][O][N][=Ring2][Ring1][N]
|
c18ccnc%11c1.Cc1nnn9n1.[C@@H]17CC[C@H]1%10.n1%11ccnc1.C9C4=O.C58=O.N47.C6%10.N56
|
CSC[C@](C)(NC(=O)c1cccc(CO)n1)C(=O)N(C)C[C@H](O)C1CCCC1
|
CSC[C@]C)NC=O)cccccCO))n6))))))))C=O)NC)C[C@H]O)CCCCC5
|
[C][S][C][C@][Branch1][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][O][=N][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][Branch1][C][O][C][C][C][C][C][Ring1][Branch1]
|
C6[C@@]4(C)C3=O.c17cccc8n1.C19CCCC1.C5[C@@H]9O.C27=O.N35C.CS6.N24.C8O
|
Cn1c(C=O)ccc1C(=O)Nc1cccc(Oc2ccccc2)n1
|
CncC=O))ccc5C=O)NcccccOcccccc6)))))))n6
|
[C][N][C][Branch1][Ring1][C][=O][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N]
|
Cn1c7ccc1C=O.c16cccc4n1.c15ccccc1.C37=O.N36.O45
|
COC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1n1cc([C@H](O)c2cccnc2)nn1
|
COC=O)NC)CC=O)N[C@H]CCC[C@H]5ncc[C@H]O)ccccnc6)))))))nn5
|
[C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C@H1][Ring1][Branch1][N][C][=C][Branch1][=N][C@H1][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=N][Ring1][=N]
|
[C@H]17CCC[C@H]1%10.n1%10cc8nn1.c19cccnc1.C6C5=O.C34=O.N46C.[C@H]89O.CO3.N57
|
CCN(C(=O)c1nn(C)cc1N)[C@H](C)CNC(=O)[C@@H]1CC=CC[C@H]1C
|
CCNC=O)cnnC)cc5N)))))))[C@H]C)CNC=O)[C@@H]CC=CC[C@H]6C
|
[C][C][N][Branch1][S][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][N][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][=C][C][C@H1][Ring1][=Branch1][C]
|
c17nn(C)cc1N.[C@@H]18CC=CC[C@H]1C.[C@@H]5(C)C6.N245.C27=O.C38=O.CC4.N36
|
COCC1(C(=O)N2CC(NC(=O)[C@@H]3Cc4ccccc4[C@@H]3C)C2)COC1
|
COCCC=O)NCCNC=O)[C@@H]Ccccccc6[C@@H]9C))))))))))))C4)))))COC4
|
[C][O][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][=Branch2][C][C][Ring1][P][C][O][C][Ring2][Ring1][#Branch1]
|
[C@@H]1%10Cc2ccccc2[C@@H]1C.C19%11COC1.N15CC8C1.C59=O.C6%10=O.CO7.C7%11.N68
|
Cc1cc(Br)cc(CN2[C@@H]3C[C@H]3C[C@H]2C(=O)Nc2cccc(C(F)(F)F)c2Cl)c1
|
CcccBr)ccCN[C@@H]C[C@H]3C[C@H]6C=O)NcccccCF)F)F))c6Cl))))))))))))))))c6
|
[C][C][=C][C][Branch1][C][Br][=C][C][Branch2][Ring2][Ring2][C][N][C@@H1][C][C@H1][Ring1][Ring1][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][Cl][=C][Ring2][Ring1][N]
|
Cc1cc8cc(Br)c1.c16cccc9c1Cl.N15[C@H]7C[C@@H]2C[C@H]21.C9(F)(F)F.C47=O.C58.N46
|
CC[C@@H]1COC[C@H]1NC(=O)[C@@]1(NC(=O)CC(C)(C)C#N)CCN(C)C1
|
CC[C@@H]COC[C@H]5NC=O)[C@@]NC=O)CCC)C)C#N))))))CCNC)C5
|
[C][C][C@@H1][C][O][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C@@][Branch1][S][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][#N][C][C][N][Branch1][C][C][C][Ring1][#C]
|
C3(=O)CC(C)(C)C#N.[C@@]146CCN(C)C1.[C@@H]17COC[C@H]15.C26=O.CC7.N25.N34
|
Cc1nc(C(=O)N[C@@H]2CC[C@@H]2CNC(=O)c2cncn2C(C)C)c(C)n1C
|
CcncC=O)N[C@@H]CC[C@@H]4CNC=O)ccncn5CC)C))))))))))))))))cC)n5C
|
[C][C][=N][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@@H1][C][C][C@@H1][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][N][=C][N][Ring1][Branch1][C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring2][Ring1][=Branch2][C]
|
Cc1nc7c(C)n1C.c18cncn19.[C@@H]16CC[C@@H]1%10.C37=O.C48=O.C9(C)C.N36.C5%10.N45
|
NC(=O)C(=O)NC[C@H]1CN(C(=O)C=C2CCCCC2)CCC12CCC2
|
NC=O)C=O)NC[C@H]CNC=O)C=CCCCCC6))))))))CCC6CCC4
|
[N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][C][C][C][C][Ring1][=Branch1][C][C][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
[C@H]17CN4CCC12CCC2.C1=6CCCCC1.NC(=O)C3=O.C4(=O)C=6.N35.C57
|
CCN(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[C@H]1NCc1cc(C)[nH]c1C
|
CCNCcccc[N+]=O)[O-]))cc6)))))))C=O)[C@H]C[C@H]3NCcccC)[nH]c5C
|
[C][C][N][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][C@H1][C][C@H1][Ring1][Ring1][N][C][C][C][=C][Branch1][C][C][NH1][C][=Ring1][=Branch1][C]
|
c18ccc([N+](=O)[O-])cc1.c19cc(C)[nH]c1C.[C@H]17C[C@H]16.N234.C27=O.CC3.C48.N56.C59
|
COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(O)(Cn2cc([C@@H]3CCN(C)C3)nn2)CC1
|
COC=O)[C@@H]C[C@@H]3C=O)NCCCO)Cncc[C@@H]CCNC)C5)))))nn5))))))CC6
|
[C][O][C][=Branch1][C][=O][C@@H1][C][C@@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][O][C@@H1][C][C][N][Branch1][C][C][C][Ring1][=Branch1][N][=N][Ring1][O][C][C][Ring2][Ring1][Ring1]
|
N15CCC9(O)CC1.n18cc%10nn1.[C@@H]1%10CCN(C)C1.[C@@H]16C[C@@H]17.C46=O.C57=O.CO4.C89
|
COc1nccnc1C(=O)N(CCC(=O)NC[C@@H]1CCC[C@H]1CF)OC
|
COcnccnc6C=O)NCCC=O)NC[C@@H]CCC[C@H]5CF))))))))))))OC
|
[C][O][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C@H1][Ring1][Branch1][C][F][O][C]
|
C5(=O)N(CCC2=O)OC.c13nccnc15.[C@@H]16CCC[C@H]17.CO3.N24.C46.C7F
|
COC(=O)C1(NC(=O)OC(C)(C)C)CC(N[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C)C1
|
COC=O)CNC=O)OCC)C)C)))))CCN[C@@H]C[C@@H]cccccc6))))))[C@@H]4C))))))C4
|
[C][O][C][=Branch1][C][=O][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Branch2][Ring1][Ring1][N][C@@H1][C][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][#Branch2][C][C][Ring2][Ring1][Branch2]
|
C18%11CC9C1.[C@@H]1%10C[C@@H]%12[C@@H]1C.c1%12ccccc1.C7(C)(C)C.C4%11=O.C56=O.CO4.N68.O57.N9%10
|
O=C(N[C@H]1CN(C(=O)C2CCCCC2)Cc2ccnn2C1)c1c(Cl)cccc1Cl
|
O=CN[C@H]CNC=O)CCCCCC6)))))))Ccccnn5C%10)))))))))))ccCl)cccc6Cl
|
[O][=C][Branch2][Ring1][#C][N][C@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][C][=C][C][=N][N][Ring1][Branch1][C][Ring2][Ring1][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl]
|
[C@H]15CN4Cc2ccnn2C1.c17c(Cl)cccc1Cl.C16CCCCC1.O=C37.C46=O.N35
|
C[C@@H](CC(=O)NC[C@@H](CNC(=O)C1(C)CCCCC1)C(F)(F)F)NC(N)=O
|
C[C@@H]CC=O)NC[C@@H]CNC=O)CC)CCCCC6)))))))))CF)F)F)))))))NCN)=O
|
[C][C@@H1][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][C][C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][N][C][Branch1][C][N][=O]
|
C6[C@@H](C7)C(F)(F)F.C18(C)CCCCC1.C[C@H]5CC2=O.C38=O.C4(N)=O.N26.N37.N45
|
C=C1CC(C(=O)NCCn2cnc(C(=O)N[C@@H](C)[C@@H](C)C(=O)OC)c2)C1
|
C=CCCC=O)NCCncncC=O)N[C@@H]C)[C@@H]C)C=O)OC)))))))c5)))))))))C4
|
[C][=C][C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][N][C][=N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][S][C][Ring2][Ring1][=Branch2]
|
[C@H]7(C)[C@@H](C)C3=O.n1%10cnc8c1.C=C1CC9C1.C49=O.C6C%10.C58=O.N46.N57.O3C
|
C=C[C@H](O)C(=O)N(CC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)C1CC1
|
C=C[C@H]O)C=O)NCC=O)NC[C@@H]C=O)NC=O)[C@@H]5C8))))))))))CCC3
|
[C][=C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C@@H1][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C@@H1][Ring1][#Branch1][C][Ring1][#Branch2][C][C][C][Ring1][Ring1]
|
N14C[C@@H]2C(=O)NC(=O)[C@@H]2C1.C=C[C@H](O)C3=O.C5C4=O.N356.C16CC1
|
C[C@@H](O)CCCCCC(=O)N[C@H]1CCCC[C@@H]1NC(=O)[C@]1(C)C[C@@H](C#N)C1
|
C[C@@H]O)CCCCCC=O)N[C@H]CCCC[C@@H]6NC=O)[C@]C)C[C@@H]C#N))C4
|
[C][C@@H1][Branch1][C][O][C][C][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C@@H1][Branch1][Ring1][C][#N][C][Ring1][#Branch1]
|
C[C@@H](O)CCCCCC2=O.[C@H]14CCCC[C@@H]15.[C@]16(C)C[C@H](C#N)C1.C36=O.N24.N35
|
Cc1ccc(-c2cn([C@@H]3CC[C@@H](C(=O)N4CCSCC4)C3)nn2)c(F)c1
|
Ccccc-ccn[C@@H]CC[C@@H]C=O)NCCSCC6)))))))C5)))))nn5)))))cF)c6
|
[C][C][=C][C][=C][Branch2][Ring1][P][C][=C][N][Branch2][Ring1][=Branch1][C@@H1][C][C][C@@H1][Branch1][=N][C][=Branch1][C][=O][N][C][C][S][C][C][Ring1][=Branch1][C][Ring1][=N][N][=N][Ring2][Ring1][C][C][Branch1][C][F][=C][Ring2][Ring1][=Branch2]
|
Cc1ccc8c(F)c1.c18cn7nn1.[C@@H]17CC[C@@H]6C1.N15CCSCC1.C56=O
|
CC(C)c1ccc(C(=O)NC[C@H]2C[C@@H](C)N(C(=O)C3CC(Cl)(Cl)C3)C2)c(O)n1
|
CCC)ccccC=O)NC[C@H]C[C@@H]C)NC=O)CCCCl)Cl)C4)))))C5))))))))cO)n6
|
[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][Branch1][C][Cl][Branch1][C][Cl][C][Ring1][=Branch1][C][Ring1][=C][C][Branch1][C][O][=N][Ring2][Ring1][=Branch2]
|
c19ccc8c(O)n1.[C@H]1%10C[C@@H](C)N5C1.C17CC(Cl)(Cl)C1.CC9C.C48=O.C57=O.N46.C6%10
|
COc1ccc(C(=O)NC[C@@H](CO)NC(=O)CS(=O)(=O)C[C@H]2CCCO2)nn1
|
COccccC=O)NC[C@@H]CO))NC=O)CS=O)=O)C[C@H]CCCO5))))))))))))))nn6
|
[C][O][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@H1][C][C][C][O][Ring1][Branch1][N][=N][Ring2][Ring1][#Branch2]
|
C4(=O)CS(=O)(=O)C9.c15ccc8nn1.C6[C@H]7CO.[C@H]19CCCO1.C38=O.CO5.N36.N47
|
C[C@@H](C(=O)N1CC2(C)CC1(C(=O)N1CC[C@H](O)[C@](C)(O)C1)C2)C1CC1
|
C[C@@H]C=O)NCCC)CC5C=O)NCC[C@H]O)[C@]C)O)C6)))))))C4)))))))CCC3
|
[C][C@@H1][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Ring1][=Branch1][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][O][C@][Branch1][C][C][Branch1][C][O][C][Ring1][=Branch2][C][Ring1][S][C][C][C][Ring1][Ring1]
|
N14CC[C@H](O)[C@](C)(O)C1.N13CC2(C)CC15C2.C[C@H]6C3=O.C45=O.C16CC1
|
C=C1CC(NC(=O)C[C@H]2C[C@H](C)N(C(=O)CC3OCCCO3)C2)C1
|
C=CCCNC=O)C[C@H]C[C@H]C)NC=O)CCOCCCO6))))))))C5))))))))C4
|
[C][=C][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][C@H1][C][C@H1][Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][O][C][C][C][O][Ring1][=Branch1][C][Ring1][#C][C][Ring2][Ring1][#Branch1]
|
[C@H]18C[C@H](C)N5C1.C17OCCCO1.C=C1CC6C1.C4(=O)C8.C5(=O)C7.N46
|
C#Cc1cn(C)nc1C(=O)N[C@@H](C)[C@@H]1CN(C(=O)c2ccc(O)cc2C)CCO1
|
C#CccnC)nc5C=O)N[C@@H]C)[C@@H]CNC=O)ccccO)cc6C))))))))CCO6
|
[C][#C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C][O][Ring1][S]
|
C#Cc1cn(C)nc16.c17ccc(O)cc1C.[C@@H]18CN4CCO1.C36=O.[C@@H]58C.C47=O.N35
|
C#Cc1ccccc1CN1CC[C@@]2(C[C@H]2C(=O)Nc2nc(C)ccc2C)C1
|
C#Ccccccc6CNCC[C@@]C[C@H]3C=O)NcncC)ccc6C)))))))))))C5
|
[C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C@@][Branch2][Ring1][=Branch1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C]
|
C#Cc1ccccc17.N14CC[C@@]2(C[C@H]26)C1.c15nc(C)ccc1C.C36=O.C47.N35
|
C#Cc1ccc(C(=O)NC2CCC(CC(=O)N3C[C@@H]4[C@@H](C3)C4(C)C)CC2)nc1
|
C#CccccC=O)NCCCCCC=O)NC[C@@H][C@@H]C5)C3C)C))))))))CC6))))))))nc6
|
[C][#C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C@@H1][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][Ring2][Branch1][C][C][C][C][C][Ring1][P][N][=C][Ring2][Ring1][#Branch2]
|
C#Cc1ccc8nc1.N16C[C@@H]2[C@@H](C1)C2(C)C.C17CCC9CC1.C9C6=O.C58=O.N57
|
CCC=CC(=O)N[C@H]1CN(C(=O)Cc2ccc(C(C)(C)C)cc2)CC[C@H]1CO
|
CCC=CC=O)N[C@H]CNC=O)CccccCC)C)C))cc6))))))))CC[C@H]6CO
|
[C][C][C][=C][C][=Branch1][C][=O][N][C@H1][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][C][C@H1][Ring2][Ring1][Ring1][C][O]
|
[C@H]15CN4CC[C@H]17.c18ccc9cc1.C=6C3=O.C4(=O)C8.C9(C)(C)C.CCC=6.N35.C7O
|
CCC1(CNC(=O)c2nc(CNC(=O)[C@H]3CCS[C@H](C)C3)oc2C)CCC1
|
CCCCNC=O)cncCNC=O)[C@H]CCS[C@H]C)C6)))))))))oc5C)))))))))CCC4
|
[C][C][C][Branch2][Ring2][Ring1][C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][S][C@H1][Branch1][C][C][C][Ring1][#Branch1][O][C][=Ring1][S][C][C][C][C][Ring2][Ring1][=Branch2]
|
c18nc%10oc1C.[C@H]19CCS[C@H](C)C1.C1%11%12CCC1.C48=O.C59=O.CC%11.C6%12.N46.C7%10.N57
|
CC(C)=CCC[C@@H](C(=O)Nc1ccccc1Cl)N1CCC[C@H]1c1cccc(Br)c1
|
CCC)=CCC[C@@H]C=O)Ncccccc6Cl)))))))))NCCC[C@H]5cccccBr)c6
|
[C][C][Branch1][C][C][=C][C][C][C@@H1][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][C][C@H1][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]
|
C=5CC[C@H]3C2=O.c14ccccc1Cl.c16cccc(Br)c1.N13CCC[C@H]16.CC=5C.N24
|
C=CCOCC(=O)NCC[C@H]1C[C@@H](NC(=O)c2cc(F)c[nH]2)C1
|
C=CCOCC=O)NCC[C@H]C[C@@H]NC=O)cccF)c[nH]5)))))))C4
|
[C][=C][C][O][C][C][=Branch1][C][=O][N][C][C][C@H1][C][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][NH1][Ring1][=Branch1][C][Ring1][=N]
|
c19cc(F)c[nH]1.[C@H]1%10C[C@@H]8C1.C6C3=O.C=CC5.C7C%10.C49=O.O56.N37.N48
|
Cn1nc(Cl)cc1NC(=O)C12C3[C@@H]4C(C(=O)Nc5cc(Cl)ccc5F)[C@@H]3[C@H]1C[C@H]42
|
CnncCl)cc5NC=O)CC[C@@H]CC=O)NcccCl)ccc6F)))))))))[C@@H]4[C@H]6C[C@H]68
|
[C][N][N][=C][Branch1][C][Cl][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C@@H1][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F][C@@H1][Ring1][#C][C@H1][Ring1][P][C][C@H1][Ring1][P][Ring2][Ring1][Ring1]
|
C12%10C3[C@@H]4C%11[C@@H]3[C@H]1C[C@H]42.c19cc(Cl)ccc1F.Cn1nc(Cl)cc18.C6%10=O.C7%11=O.N68.N79
|
CCC(CC)CNC(=O)[C@H]1N(C(=O)C2C[S+]([O-])C2)CC12CCCC2
|
CCCCC))CNC=O)[C@H]NC=O)CC[S+][O-])C4)))))CC4CCCC5
|
[C][C][C][Branch1][Ring1][C][C][C][N][C][=Branch1][C][=O][C@H1][N][Branch1][=C][C][=Branch1][C][=O][C][C][S+1][Branch1][C][O-1][C][Ring1][Branch1][C][C][Ring1][O][C][C][C][C][Ring1][Branch1]
|
[C@H]16N4CC12CCCC2.CCC(C5)CC.C17C[S+]([O-])C1.C36=O.C47=O.N35
|
CCc1nc(C(=O)N2CC[C@@H](C)N(C(=O)[C@@H]3C[C@H]4C[C@@H]3CC4(F)F)CC2)c(C)o1
|
CCcncC=O)NCC[C@@H]C)NC=O)[C@@H]C[C@H]C[C@@H]5CC5F)F)))))))))CC7))))))))cC)o5
|
[C][C][C][=N][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C@@H1][C][C@H1][C][C@@H1][Ring1][Branch1][C][C][Ring1][Branch1][Branch1][C][F][F][C][C][Ring2][Ring1][Ring1][=C][Branch1][C][C][O][Ring2][Ring1][O]
|
N15CC[C@@H](C)N6CC1.[C@@H]18C[C@H]2C[C@@H]1CC2(F)F.c19nc7c(C)o1.C57=O.C68=O.CC9
|
CCOCCNC(=O)[C@@H](c1cc(I)n(C)n1)N(C)Cc1ncc(C2CC2)o1
|
CCOCCNC=O)[C@@H]cccI)nC)n5)))))NC)CcnccCCC3)))o5
|
[C][C][O][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=C][C][C][=C][Branch1][C][I][N][Branch1][C][C][N][=Ring1][#Branch1][N][Branch1][C][C][C][C][=N][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2]
|
c19cc(I)n(C)n1.c1%10ncc%11o1.C3(=O)[C@H]79.C5C6.N78C.C1%11CC1.CC4.O45.N36.C8%10
|
O=CNCC(=O)N1CCC(C[C@H]2COCCN2C(=O)C[C@@H]2CCCCO2)CC1
|
O=CNCC=O)NCCCC[C@H]COCCN6C=O)C[C@@H]CCCCO6)))))))))))))))CC6
|
[O][=C][N][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch1][C][C@H1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C@@H1][C][C][C][C][O][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1]
|
N13CCC8CC1.[C@H]16COCCN14.[C@@H]17CCCCO1.C5C3=O.C4(=O)C7.O=CN5.C68
|
CC[C@@H](O)CC(=O)NCC[C@@H](C)NC(=O)COCCc1ccc(Br)cc1
|
CC[C@@H]O)CC=O)NCC[C@@H]C)NC=O)COCCccccBr)cc6
|
[C][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
|
CC[C@@H](O)CC2=O.c18ccc(Br)cc1.C6C[C@H]7C.C3(=O)C4.C5C8.N26.N37.O45
|
Cc1nc(CC(=O)N2CC3(CC[C@H]3NC(=O)[C@@H]3Cc4ccccc4CO3)C2)n[nH]1
|
CcncCC=O)NCCCC[C@H]4NC=O)[C@@H]Ccccccc6CO%10)))))))))))))))C4))))))n[nH]5
|
[C][C][=N][C][Branch2][Ring2][Branch2][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch2][C][C][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][#Branch2][C][Ring2][Ring1][Ring2][=N][NH1][Ring2][Ring1][N]
|
[C@@H]18Cc2ccccc2CO1.N15CC2(CC[C@H]27)C1.Cc1nc9n[nH]1.C9C5=O.C68=O.N67
|
CC(C)(CO)CNc1ccc(S(=O)(=O)NC[C@@]23CCCC[C@@H]2C3(F)F)cc1Br
|
CCC)CO))CNccccS=O)=O)NC[C@@]CCCC[C@@H]6C7F)F)))))))))))cc6Br
|
[C][C][Branch1][C][C][Branch1][Ring1][C][O][C][N][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@@][C][C][C][C][C@@H1][Ring1][=Branch1][C][Ring1][#Branch1][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring2][Br]
|
c17ccc(S6(=O)=O)cc1Br.[C@@]128CCCC[C@@H]1C2(F)F.CC(C)(C4)CO.N47.N56.C58
|
O=C(C[C@H]1CCCCC1(F)F)NC[C@]12CCC[C@H]1CN(C(=O)c1cnc(S)[nH]1)C2
|
O=CC[C@H]CCCCC6F)F))))))))NC[C@]CCC[C@H]5CNC=O)ccncS)[nH]5))))))C8
|
[O][=C][Branch1][=C][C][C@H1][C][C][C][C][C][Ring1][=Branch1][Branch1][C][F][F][N][C][C@][C][C][C][C@H1][Ring1][Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][S][NH1][Ring1][=Branch1][C][Ring1][S]
|
[C@]128CCC[C@H]1CN4C2.[C@H]17CCCCC1(F)F.c16cnc(S)[nH]1.O=C3C7.C46=O.N35.C58
|
CC[C@@H](CN(C)C(=O)CN=S(C)(C)=O)NC(=O)c1cc(-c2cccc(O)c2)on1
|
CC[C@@H]CNC)C=O)CN=SC)C)=O)))))))NC=O)ccc-cccccO)c6))))))on5
|
[C][C][C@@H1][Branch2][Ring1][Ring2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][=S][Branch1][C][C][Branch1][C][C][=O][N][C][=Branch1][C][=O][C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][N][=Ring1][N]
|
C3(=O)CN=S(C)(C)=O.c18cccc(O)c1.c17cc8on1.CC[C@H]5C6.N36C.C47=O.N45
|
CC(C)(C)CCC(=O)N1CCC2(CC1)C[C@H]2NC(=O)C1(O)CCSCC1
|
CCC)C)CCC=O)NCCCCC6))C[C@H]3NC=O)CO)CCSCC6
|
[C][C][Branch1][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][O][C][C][S][C][C][Ring1][#Branch1]
|
N13CCC2(CC1)C[C@H]25.CC(C)(C)CCC3=O.C16(O)CCSCC1.C46=O.N45
|
C[C@@]1(CCC(=O)N[C@H]2CC[C@@H](C(N)=O)C2)CCCN1C(=O)[C@@H]1CC(=O)CC(=O)N1
|
C[C@@]CCC=O)N[C@H]CC[C@@H]CN)=O))C5)))))))))CCCN5C=O)[C@@H]CC=O)CC=O)N6
|
[C][C@@][Branch2][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][Branch2][C][C][C][N][Ring2][Ring1][C][C][=Branch1][C][=O][C@@H1][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][Ring1][Branch2]
|
[C@@H]16CC(=O)CC(=O)N1.C[C@@]18CCCN14.[C@H]15CC[C@@H]7C1.C8CC3=O.C7(N)=O.C46=O.N35
|
O=C(C[C@@H]1CC2CCC1CC2)NCCNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21
|
O=CC[C@@H]CCCCC6CC6)))))))))NCCNC=O)[C@@H]CCC[C@@H]CCCC[C@@H]6%10
|
[O][=C][Branch1][=C][C][C@@H1][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][N][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][Ring1][#Branch2]
|
[C@@H]17CCC[C@@H]2CCCC[C@@H]21.[C@@H]18CC2CCC1CC2.O=C3C8.C5C6.C47=O.N35.N46
|
Cc1cc(C(=O)N2[C@@H]3CC[C@@H]2[C@H](C(=O)NC[C@H]2CCOC2=O)CC3)c(O)nn1
|
CcccC=O)N[C@@H]CC[C@@H]5[C@H]C=O)NC[C@H]CCOC5=O)))))))))CC7)))))))))cO)nn6
|
[C][C][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@@H1][C][C][C@@H1][Ring1][Branch1][C@H1][Branch1][#C][C][=Branch1][C][=O][N][C][C@H1][C][C][O][C][Ring1][Branch1][=O][C][C][Ring1][P][=C][Branch1][C][O][N][=N][Ring2][Ring1][O]
|
N14[C@H]2CC[C@@H]7[C@H]1CC2.Cc1cc8c(O)nn1.[C@H]19CCOC1=O.C48=O.C57=O.N56.C69
|
C=CCCC(F)(F)C(=O)N[C@@H]1COCCN(C(=O)[C@]2(CC)CC2(F)F)C1
|
C=CCCCF)F)C=O)N[C@@H]COCCNC=O)[C@]CC))CC3F)F)))))C7
|
[C][=C][C][C][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][C@@H1][C][O][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@][Branch1][Ring1][C][C][C][C][Ring1][Branch1][Branch1][C][F][F][C][Ring1][S]
|
C=CCCC(F)(F)C3=O.[C@@H]15COCCN4C1.[C@@]167CC1(F)F.C46=O.N35.C7C
|
CC1(C)CC[C@@H](NC(=O)CCC(F)(F)F)[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1
|
CCC)CC[C@@H]NC=O)CCCF)F)F))))))[C@@H]CNC=O)ccc[n+][O-])cc6)))))))))C6
|
[C][C][Branch1][C][C][C][C][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C][C][C][Branch1][C][F][Branch1][C][F][F][C@@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=N+1][Branch1][C][O-1][C][=C][Ring1][#Branch1][C][Ring2][Ring1][O]
|
CC1(C)CC[C@@H]6[C@@H]8C1.C3(=O)CCC(F)(F)F.c17cc[n+]([O-])cc1.C47=O.N36.C58.N45
|
O=C(O)[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1CCCCO1
|
O=CO)[C@H]NS=O)=O)cccccCl)c6Cl)))))))))[C@@H]CCCCO6
|
[O][=C][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C@@H1][C][C][C][C][O][Ring1][=Branch1]
|
S3(=O)(=O)c1cccc(Cl)c1Cl.[C@@H]14CCCCO1.O=C(O)[C@H]24.N23
|
C[C@H](C(=O)N1CCC[C@H](CCNC(=O)COc2ccc(F)cc2)C1)c1ccsc1
|
C[C@H]C=O)NCCC[C@H]CCNC=O)COccccF)cc6))))))))))))C6)))))))cccsc5
|
[C][C@H1][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring2][C][C][=C][S][C][=Ring1][Branch1]
|
N13CCC[C@H]8C1.c16ccc(F)cc1.C[C@@H]9C3=O.c19ccsc1.C4(=O)C5.C8C7.N47.O56
|
Cc1cc(C)c(C(=O)NC/C=C/CNC(=O)C2(C)CCS(=O)(=O)CC2)c(S)n1
|
CcccC)cC=O)NC/C=C/CNC=O)CC)CCS=O)=O)CC6))))))))))))))cS)n6
|
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][/C][=C][/C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][=Branch2][C][Branch1][C][S][=N][Ring2][Ring1][O]
|
Cc1cc(C)c8c(S)n1.C17(C)CCS(=O)(=O)CC1.C38=O.C5C=9.C=9C6.C47=O.N35.N46
|
Cc1cc(OCC(=O)N2C[C@@H](NC(=O)c3ccc(=N)[nH]n3)CC23CCCC3)no1
|
CcccOCC=O)NC[C@@H]NC=O)cccc=N)[nH]n6))))))))CC5CCCC5))))))))))))no5
|
[C][C][=C][C][Branch2][Ring2][=Branch1][O][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=N][NH1][N][=Ring1][#Branch1][C][C][Ring1][#C][C][C][C][C][Ring1][Branch1][=N][O][Ring2][Ring1][N]
|
N14C[C@@H]8CC12CCCC2.c19ccc(=N)[nH]n1.Cc1cc7no1.C6C4=O.C59=O.O67.N58
|
CC[C@H](C)[C@@H](CC(=O)NC1(CC)CCCC1)NC(=O)[C@@H]1C[C@H]1OC(C)(C)C
|
CC[C@H]C)[C@@H]CC=O)NCCC))CCCC5))))))))NC=O)[C@@H]C[C@H]3OCC)C)C
|
[C][C][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][C][C][C][C][C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][O][C][Branch1][C][C][Branch1][C][C][C]
|
CC[C@H](C)[C@H]6CC2=O.C179CCCC1.[C@@H]18C[C@H]15.C4(C)(C)C.C38=O.N27.C9C.N36.O45
|
CCN(C(=O)c1nn(C)c2c1COCC2)[C@H](C)CNC(=O)C1=NO[C@@H]2COC[C@H]12
|
CCNC=O)cnnC)cc5COCC6))))))))))[C@H]C)CNC=O)C=NO[C@@H]COC[C@H]85
|
[C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][O][C][C][Ring1][=Branch1][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=N][O][C@@H1][C][O][C][C@H1][Ring1][Branch2][Ring1][Branch1]
|
c18nn(C)c2c1COCC2.C4(=O)C1=NO[C@@H]2COC[C@H]12.[C@@H]6(C)C7.N356.C38=O.CC5.N47
|
C=CC=CCC(=O)N[C@H]1C[C@H](C)CN(C(=O)C2CCN(CC(F)F)CC2)C1
|
C=CC=CCC=O)N[C@H]C[C@H]C)CNC=O)CCCNCCF)F)))CC6)))))))C6
|
[C][=C][C][=C][C][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch1][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][F][F][C][C][Ring1][#Branch2][C][Ring2][Ring1][Ring1]
|
[C@H]16C[C@H](C)CN4C1.C17CCN5CC1.C=8CC3=O.C5C(F)F.C=CC=8.C47=O.N36
|
C=C(C)CC(=O)N1C[C@H]2CC[C@H]1[C@@H]1CN(C(=O)c3ccccc3[S@@+](C)[O-])C[C@@H]21
|
C=CC)CC=O)NC[C@H]CC[C@H]6[C@@H]CNC=O)cccccc6[S@@+]C)[O-])))))))))C[C@@H]95
|
[C][=C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C@H1][Ring1][=Branch1][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S@@+1][Branch1][C][C][O-1][C][C@@H1][Ring2][Ring1][Ring2][Ring1][S]
|
N14C[C@H]2CC[C@H]1[C@@H]1CN5C[C@@H]21.c16ccccc1[S@@+](C)[O-].C=C(C)CC4=O.C56=O
|
Cc1ccc(CC(=O)N(CCNC(=O)C[C@@H]2CSCCS2)C2CC2)cc1O
|
CccccCC=O)NCCNC=O)C[C@@H]CSCCS6)))))))))))CCC3))))))cc6O
|
[C][C][=C][C][=C][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][Branch1][P][C][C][N][C][=Branch1][C][=O][C][C@@H1][C][S][C][C][S][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][O]
|
Cc1ccc9cc1O.[C@@H]18CSCCS1.C9C3=O.C4(=O)C8.N357.C5C6.C17CC1.N46
|
CCOC(=O)c1sc(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)nc1C
|
CCOC=O)cscNC=O)N[C@H]CCO[C@@H]5ccccCl)cF)c6))))))))))))))nc5C
|
[C][C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C@H1][C][C][O][C@@H1][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][=N][C][=Ring2][Ring1][=Branch1][C]
|
c1%10ccc(Cl)c(F)c1.c19sc7nc1C.[C@H]18CCO[C@@H]1%10.C39=O.C45=O.CC6.O36.N47.N58
|
CC(C)C#CC(=O)N1CC(F)(F)C[C@H]1C(=O)NCc1ccc(C#N)s1
|
CCC)C#CC=O)NCCF)F)C[C@H]5C=O)NCccccC#N))s5
|
[C][C][Branch1][C][C][C][#C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][C][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][C][#N][S][Ring1][#Branch1]
|
N12CC(F)(F)C[C@H]15.CC(C)C#CC2=O.c16ccc(C#N)s1.C35=O.N34.C46
|
CC(=O)N1CCC[C@@H](C(=O)NC[C@]2(F)C[C@@H](NC(=O)C[C@H]3CCCC34CC4)C2)C1
|
CC=O)NCCC[C@@H]C=O)NC[C@]F)C[C@@H]NC=O)C[C@H]CCCC5CC3))))))))))C4)))))))C6
|
[C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@][Branch1][C][F][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C@H1][C][C][C][C][Ring1][Branch1][C][C][Ring1][Ring1][C][Ring1][S][C][Ring2][Ring1][#Branch2]
|
N15CCC[C@@H]%10C1.[C@H]1%12CCCC12CC2.[C@]1%11(F)C[C@H]9C1.C7(=O)C%12.CC5=O.C6%10=O.N68.C8%11.N79
|
C=CC(=O)N(C)C[C@H](O)CN(C)C(=O)[C@H]1C[C@@H](O)CN1C(N)=O
|
C=CC=O)NC)C[C@H]O)CNC)C=O)[C@H]C[C@@H]O)CN5CN)=O
|
[C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][Branch1][C][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][Branch1][C][N][=O]
|
[C@H]17C[C@@H](O)CN14.C5[C@H](O)C6.C=CC2=O.N25C.N36C.C37=O.C4(N)=O
|
C[C@@H](NC(=O)CCc1cnn(C)n1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
|
C[C@@H]NC=O)CCccnnC)n5)))))))))CCCNCccccCl)cCl)c6)))))))CC6
|
[C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][C][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][C][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][#C]
|
c18ccc(Cl)c(Cl)c1.C17CCN5CC1.c16cnn(C)n1.C3(=O)CC6.C[C@@H]47.N34.C58
|
C=CC=CCC(=O)N1CC[C@@]2(C=C(C(=O)NCCOCC(=O)NC)C2)C1
|
C=CC=CCC=O)NCC[C@@]C=CC=O)NCCOCC=O)NC)))))))))C4)))C5
|
[C][=C][C][=C][C][C][=Branch1][C][=O][N][C][C][C@@][Branch2][Ring1][#Branch1][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][O][C][C][=Branch1][C][=O][N][C][C][Ring1][#C][C][Ring2][Ring1][Ring1]
|
N13CC[C@@]2(C=C(C4=O)C2)C1.C=9CC3=O.C7C5=O.C=CC=9.C8C6.N48.O67.N5C
|
CC(C)=C(C)C(=O)N1C[C@@H](C)[C@H](Nc2cc3nnc(C)n3cn2)[C@@H](C)C1
|
CCC)=CC)C=O)NC[C@@H]C)[C@H]NcccnncC)n5cn9))))))))))[C@@H]C)C6
|
[C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][C@H1][Branch2][Ring1][C][N][C][=C][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][=N][Ring1][#Branch2][C@@H1][Branch1][C][C][C][Ring2][Ring1][Ring1]
|
c15cc2nnc(C)n2cn1.N14C[C@@H](C)[C@H]6[C@@H](C)C1.C=7(C)C4=O.CC=7C.N56
|
C=CCCC(=O)NC[C@H]1C[C@](F)(CNC(=O)[C@@H]2CC[C@@H](F)C2)C1
|
C=CCCC=O)NC[C@H]C[C@]F)CNC=O)[C@@H]CC[C@@H]F)C5))))))))C4
|
[C][=C][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C@][Branch1][C][F][Branch1][P][C][N][C][=Branch1][C][=O][C@@H1][C][C][C@@H1][Branch1][C][F][C][Ring1][=Branch1][C][Ring1][#C]
|
C=CCCC3=O.[C@H]18C[C@@]9(F)C1.[C@@H]17CC[C@@H](F)C1.C47=O.N35.C58.C69.N46
|
Cc1cc(C(=O)NC[C@H]2C[C@@H]2CNC(=O)CCc2scnc2C)cc(N)c1Cl
|
CcccC=O)NC[C@H]C[C@@H]3CNC=O)CCcscnc5C)))))))))))))))))ccN)c6Cl
|
[C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][C][S][C][=N][C][=Ring1][Branch1][C][=C][C][Branch1][C][N][=C][Ring2][Ring1][#Branch2][Cl]
|
Cc1cc7cc(N)c1Cl.c18scnc1C.C4(=O)CC8.[C@H]19C[C@@H]1%10.C37=O.N35.C59.C6%10.N46
|
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