SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
C[C@H](NC(=O)[C@H]1CCN(C)C1)C1CN(C(=O)c2sccc2-n2cccc2)C1
|
C[C@H]NC=O)[C@H]CCNC)C5)))))))CCNC=O)csccc5-ncccc5)))))))))))C4
|
[C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C@H1][C][C][N][Branch1][C][C][C][Ring1][=Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=C][C][=C][Ring1][Branch1][C][Ring1][S]
|
[C@H]17CCN(C)C1.c16sccc19.C18CN4C1.n19cccc1.C[C@H]58.C37=O.C46=O.N35
|
COC(=O)COCC(=O)N1[C@H]2CC[C@@H]1[C@H](C(=O)NC/C=C/C(C)(C)C)C2
|
COC=O)COCC=O)N[C@H]CC[C@@H]5[C@H]C=O)NC/C=C/CC)C)C)))))))C6
|
[C][O][C][=Branch1][C][=O][C][O][C][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Ring1][Branch1][C@H1][Branch1][P][C][=Branch1][C][=O][N][C][/C][=C][/C][Branch1][C][C][Branch1][C][C][C][C][Ring1][S]
|
N14[C@H]2CC[C@@H]1[C@H]9C2.C=%10C(C)(C)C.C3(=O)C6.C7C4=O.C59=O.C8C=%10.CO3.O67.N58
|
COC(=O)c1cscc1CC(=O)NC1(C2CCN(C(=O)C3CC3)CC2)CCC1
|
COC=O)ccscc5CC=O)NCCCCNC=O)CCC3))))CC6))))))CCC4
|
[C][O][C][=Branch1][C][=O][C][=C][S][C][=C][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O][C][C][C][Ring1][#C]
|
C17(C2CCN6CC2)CCC1.c19cscc1%10.C%10C5=O.C49=O.C68=O.C18CC1.CO4.N57
|
CC[C@H]1CN(Cc2ccc3c(c2)C(=O)NCCO3)CCN1CC(F)F
|
CC[C@H]CNCcccccc6)C=O)NCCO7)))))))))))CCN6CCF)F
|
[C][C][C@H1][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][Ring1][=Branch2][C][C][N][Ring2][Ring1][Ring1][C][C][Branch1][C][F][F]
|
c17ccc2c(c1)C(=O)NCCO2.[C@H]16CN4CCN15.C5C(F)F.CC6.C47
|
Cn1nnnc1[C@@H](NCc1cccc(OC(F)F)c1)c1cc(Br)cs1
|
Cnnnnc5[C@@H]NCcccccOCF)F)))c6))))))))cccBr)cs5
|
[C][N][N][=N][N][=C][Ring1][Branch1][C@@H1][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][Branch1][C][Br][=C][S][Ring1][=Branch1]
|
c17cccc2c1.Cn1nnnc15.c16cc(Br)cs1.O2C(F)F.[C@@H]356.N34.C47
|
CCC=C(CCC)C(=O)NC[C@@H]1CN(C(=O)[C@](C)(O)CC)CCO1
|
CCC=CCCC)))C=O)NC[C@@H]CNC=O)[C@]C)O)CC))))CCO6
|
[C][C][C][=C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C@][Branch1][C][C][Branch1][C][O][C][C][C][C][O][Ring1][=N]
|
C=5(CCC)C2=O.[C@@H]16CN3CCO1.C3(=O)[C@](C)(O)CC.CCC=5.N24.C46
|
Cc1cccc(OCCCC(=O)N[C@@H]2CN(C(=O)[C@H](C)NS(C)(=O)=O)C[C@H]2C)c1
|
CcccccOCCCC=O)N[C@@H]CNC=O)[C@H]C)NSC)=O)=O)))))C[C@H]5C))))))))))))c6
|
[C][C][=C][C][=C][C][Branch2][Ring2][=Branch1][O][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][C@H1][Ring1][=C][C][=C][Ring2][Ring1][N]
|
Cc1cccc6c1.[C@@H]19CN4C[C@H]1C.C5CCC3=O.C4(=O)[C@@H]7C.S8(C)(=O)=O.O56.N39.N78
|
CCC[C@@H](CCCNC(=O)c1cncnc1C)NC(=O)c1cn2nc(C)sc2n1
|
CCC[C@@H]CCCNC=O)ccncnc6C))))))))))))NC=O)ccnncC)sc5n8
|
[C][C][C][C@@H1][Branch2][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][N][N][=C][Branch1][C][C][S][C][Ring1][=Branch1][=N][Ring1][=Branch2]
|
c17cn2nc(C)sc2n1.CCC[C@H]5CCC6.c18cncnc1C.C38=O.C47=O.N36.N45
|
C#Cc1cc(F)cc(NC(=O)C2=C[C@]3(CCN(C(=O)C=C[C@@H]4CCOC4)C3)C2)c1
|
C#CcccF)ccNC=O)C=C[C@]CCNC=O)C=C[C@@H]CCOC5))))))))C5))))C4))))))c6
|
[C][#C][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][C@][Branch2][Ring1][=Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C@@H1][C][C][O][C][Ring1][Branch1][C][Ring1][=C][C][Ring1][P][=C][Ring2][Ring1][O]
|
C5(=O)C1=C[C@]2(CCN6C2)C1.C#Cc1cc7cc(F)c1.C=8[C@@H]1CCOC1.C6(=O)C=8.N57
|
CC[C@H](CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1)C1CC1
|
CC[C@H]CC=O)NC[C@H]C[C@H]CC[C@@H]C7)N5C=O)Ccccccc6)))))))))))))))))))CCC3
|
[C][C][C@H1][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C@H1][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1]
|
[C@H]17C[C@H]2CC[C@@H](C1)N24.CC[C@@H]6CC3=O.c18ccccc1.C4(=O)C8.C16CC1.N35.C57
|
CC1(C)CC[C@H]1C(=O)N1CCN([C@H]2CCCN(C(=O)Cn3ccnn3)C2)C(=O)C1
|
CCC)CC[C@H]4C=O)NCCN[C@H]CCCNC=O)Cnccnn5)))))))C6))))))C=O)C6
|
[C][C][Branch1][C][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C@H1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][N][C][=C][N][=N][Ring1][Branch1][C][Ring1][=C][C][=Branch1][C][=O][C][Ring2][Ring1][Branch1]
|
N14CCN8C(=O)C1.[C@H]18CCCN5C1.CC1(C)CC[C@H]16.n17ccnn1.C5(=O)C7.C46=O
|
C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[C@@H]2NC(=O)C=CCF)cc1
|
C[C@H]CO))NS=O)=O)ccccC=O)NC[C@@H]CC[C@@H]4NC=O)C=CCF)))))))))))))cc6
|
[C][C@H1][Branch1][Ring1][C][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][F][C][=C][Ring2][Ring1][Branch1]
|
S7(=O)(=O)c1ccc9cc1.[C@@H]1%11CC[C@@H]18.C[C@@H]5CO.C4(=O)C=%10.C39=O.C=%10CF.N57.N36.C6%11.N48
|
CCN1CCC[C@H]1CN(C)[C@H](C(=O)NC(C)(C)CC)c1cnc(C(C)C)n1C
|
CCNCCC[C@H]5CNC)[C@H]C=O)NCC)C)CC)))))ccncCC)C))n5C
|
[C][C][N][C][C][C][C@H1][Ring1][Branch1][C][N][Branch1][C][C][C@H1][Branch1][#C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C]
|
c18cnc9n1C.N13CCC[C@H]17.[C@H]58C2=O.C6(C)(C)CC.N45C.C9(C)C.CC3.C47.N26
|
Cc1cc(C)c(C(=O)N[C@@H]2CCCCN(C(=O)[C@H](F)CC3CCCC3)C2)c(C)c1
|
CcccC)cC=O)N[C@@H]CCCCNC=O)[C@H]F)CCCCCC5))))))))C7)))))))))cC)c6
|
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C@H1][Branch1][C][F][C][C][C][C][C][C][Ring1][Branch1][C][Ring1][P][C][Branch1][C][C][=C][Ring2][Ring1][N]
|
Cc1cc(C)c7c(C)c1.[C@@H]16CCCCN5C1.C5(=O)[C@H](F)C8.C18CCCC1.C47=O.N46
|
O=C(c1ncccc1Br)N1CC[C@@H](NC(=O)[C@@]23COC[C@@H]2C3)C(F)(F)CC1
|
O=Ccncccc6Br)))))))NCC[C@@H]NC=O)[C@@]COC[C@@H]5C6))))))))CF)F)CC7
|
[O][=C][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][Br][N][C][C][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C@@][C][O][C][C@@H1][Ring1][Branch1][C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][C][C][Ring2][Ring1][C]
|
N14CC[C@@H]6C(F)(F)CC1.c17ncccc1Br.[C@@]128COC[C@@H]1C2.O=C47.C58=O.N56
|
CCCOC(C)(C)C(=O)N1CCC[C@@H](CCC(=O)N[C@@H](C)c2ccoc2)C1
|
CCCOCC)C)C=O)NCCC[C@@H]CCC=O)N[C@@H]C)cccoc5))))))))))C6
|
[C][C][C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C][=C][O][C][=Ring1][Branch1][C][Ring2][Ring1][C]
|
N13CCC[C@@H]8C1.C6(C)(C)C3=O.C8CC4=O.c19ccoc1.CCC5.[C@@H]79C.O56.N47
|
CC(C)CN=c1[nH]c(=NCc2nncn2C2CC2)[nH]c2c(F)cccc12
|
CCC)CN=c[nH]c=NCcnncn5CCC3))))))))))[nH]ccF)cccc%106
|
[C][C][Branch1][C][C][C][N][=C][NH1][C][=Branch1][#C][=N][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Ring1][NH1][C][=C][Branch1][C][F][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][#Branch1]
|
CC(C)CN=c1[nH]c(=NC3)[nH]c2c(F)cccc12.c13nncn14.C14CC1
|
CCCCC(CNC(=O)CCc1cnccn1)NC(=O)c1c(C)cc(C)cc1C
|
CCCCCCNC=O)CCccnccn6)))))))))))NC=O)ccC)ccC)cc6C
|
[C][C][C][C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][C][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C]
|
c16c(C)cc(C)cc1C.CCCCC4C5.c17cnccn1.C2(=O)CC7.C36=O.N25.N34
|
CC(C)(C)C[C@H](O)CC(=O)N1C[C@H](O)C[C@H]1CC(=O)N1CC(O)(c2nn[nH]n2)C1
|
CCC)C)C[C@H]O)CC=O)NC[C@H]O)C[C@H]5CC=O)NCCO)cnn[nH]n5)))))C4
|
[C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][Ring1][#Branch2]
|
CC(C)(C)C[C@H](O)CC3=O.N13C[C@H](O)C[C@H]15.N14CC6(O)C1.c16nn[nH]n1.C5C4=O
|
COC(=O)C1(CNC(=O)CCc2nc3cccc(C)c3[nH]2)CNC1
|
COC=O)CCNC=O)CCcncccccC)c6[nH]9))))))))))))))CNC4
|
[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][C][=N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][N][C][Ring2][Ring1][Ring2]
|
c18nc2cccc(C)c2[nH]1.C179CNC1.C5(=O)CC8.C47=O.CO4.C69.N56
|
CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@H]2[C@@H]3CC(F)(F)C[C@@H]32)CC1
|
CCS=O)=O)N[C@H]C)C=O)NC[C@H]CC[C@H]NC=O)[C@H][C@@H]CCF)F)C[C@@H]56))))))))CC6
|
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][C@@H1][C][C][Branch1][C][F][Branch1][C][F][C][C@@H1][Ring1][#Branch1][Ring1][Branch2][C][C][Ring1][P]
|
[C@@H]1%10[C@H]2CC(F)(F)C[C@@H]12.[C@H]1%11CC[C@H]9CC1.CCS8(=O)=O.[C@@H]6(C)C4=O.C5%10=O.N68.N47.C7%11.N59
|
C[C@@]1(C(=O)NCCOCCNC(=O)c2cccc(F)c2Br)CCC[C@@H]1O
|
C[C@@]C=O)NCCOCCNC=O)cccccF)c6Br))))))))))))))))CCC[C@@H]5O
|
[C][C@@][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][Br][C][C][C][C@@H1][Ring2][Ring1][Branch2][O]
|
c1%10cccc(F)c1Br.C[C@@]19CCC[C@@H]1O.C39=O.C7C5.C6C8.C4%10=O.N37.O56.N48
|
Cc1nc(CC(=O)NC(C)(C)[C@@H]2CCN(C(=O)C3(C(F)F)CC3)C2)co1
|
CcncCC=O)NCC)C)[C@@H]CCNC=O)CCF)F))CC3))))C5)))))))))co5
|
[C][C][=N][C][Branch2][Ring2][#Branch1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C@@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][F][F][C][C][Ring1][=Branch1][C][Ring1][=N][=C][O][Ring2][Ring1][=Branch2]
|
Cc1nc8co1.[C@@H]19CCN5C1.C8C4=O.C69(C)C.C17%10CC1.C57=O.C%10(F)F.N46
|
CC(C)(C(=O)N1C[C@H]2C[C@@H](C1)[C@H](NC(=O)c1cnn3ccsc13)C2)C(F)(F)F
|
CCC)C=O)NC[C@H]C[C@@H]C6)[C@H]NC=O)ccnnccsc85))))))))))C5))))))))CF)F)F
|
[C][C][Branch1][C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=N][N][C][=C][S][C][=Ring1][Branch2][Ring1][Branch1][C][Ring1][P][C][Branch1][C][F][Branch1][C][F][F]
|
CC(C)(C4=O)C(F)(F)F.N14C[C@H]2C[C@@H](C1)[C@H]6C2.c17cnn2ccsc12.C57=O.N56
|
COCCC1(C(=O)NCC2(O)CSC2)CCN(C(=O)C23C(=O)C4C[C@@H]2[C@@H]3C4)CC1
|
COCCCC=O)NCCO)CSC4)))))))CCNC=O)CC=O)CC[C@@H]5[C@@H]6C5))))))))CC6
|
[C][O][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][S][C][Ring1][Branch1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][C@@H1][Ring1][#Branch1][C][Ring1][Branch1][C][C][Ring2][Ring1][=Branch2]
|
C19%11CCN6CC1.C12%10C(=O)C3C[C@@H]1[C@@H]2C3.C1%12(O)CSC1.C7C%11.C59=O.C6%10=O.CO7.N58.C8%12
|
CSC1(C(=O)N2CCC[C@@H](CC3CC3)C2)CN(C(=O)C2=CCCC[C@@H]2C)C1
|
CSCC=O)NCCC[C@@H]CCCC3))))C6)))))))CNC=O)C=CCCC[C@@H]6C))))))))C4
|
[C][S][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][C][C][C@@H1][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2]
|
C5(=O)C1=CCCC[C@@H]1C.N14CCC[C@@H]8C1.C167CN5C1.C47=O.C19CC1.CS6.C89
|
CC[C@H](CC(=O)N(C)CC[C@H](C)NC(=O)C12CCCN1CCC2)C(C)C
|
CC[C@H]CC=O)NC)CC[C@H]C)NC=O)CCCCN5CCC8))))))))))))))))CC)C
|
[C][C][C@H1][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][C][C][Ring1][Branch2][C][Branch1][C][C][C]
|
CC[C@H](CC3=O)C(C)C.C127CCCN1CCC2.C5C[C@@H]6C.N35C.C47=O.N46
|
C#Cc1c[nH]nc1C(=O)N[C@H](CC(=O)N1CC[C@@H](C(=O)NC)C1)[C@@H](C)CC
|
C#Ccc[nH]nc5C=O)N[C@H]CC=O)NCC[C@@H]C=O)NC)))C5)))))))[C@@H]C)CC
|
[C][#C][C][=C][NH1][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][Ring1][=Branch2][C@@H1][Branch1][C][C][C][C]
|
[C@@H]5(CC3=O)[C@@H](C)CC.C#Cc1c[nH]nc16.N13CC[C@@H]7C1.C26=O.C47=O.N25.N4C
|
Cc1cc(C)c(C(=O)N2CC[C@@H](NCC(=O)N3CCOCC3)[C@@H](C)C2)c(O)n1
|
CcccC)cC=O)NCC[C@@H]NCC=O)NCCOCC6)))))))))[C@@H]C)C6)))))))cO)n6
|
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][#C][N][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C@@H1][Branch1][C][C][C][Ring1][P][C][Branch1][C][O][=N][Ring2][Ring1][O]
|
Cc1cc(C)c8c(O)n1.N14CC[C@@H]7[C@@H](C)C1.N15CCOCC1.C6C5=O.C48=O.N67
|
CCC=CC=CC(=O)NC[C@@H](CCC)C(=O)N1CC[C@@H](OC)C1(C)C
|
CCC=CC=CC=O)NC[C@@H]CCC)))C=O)NCC[C@@H]OC))C5C)C
|
[C][C][C][=C][C][=C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][Ring1][O][C][C][Ring1][#Branch1][Branch1][C][C][C]
|
C5[C@@H](CCC)C3=O.N13CC[C@@H]4C1(C)C.C=7C2=O.CCC=6.C=6C=7.N25.O4C
|
O=C(N[C@@H]1[C@H]2CCN(C(=O)C3CC4(CC4)C3)[C@H]21)[C@@H]1CCCCN1c1ncccn1
|
O=CN[C@@H][C@H]CCNC=O)CCCCC3))C4)))))[C@H]56)))))))[C@@H]CCCCN6cncccn6
|
[O][=C][Branch2][Ring1][=C][N][C@@H1][C@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][=Branch1][C@H1][Ring1][=N][Ring1][=C][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1]
|
[C@@H]18[C@H]2CCN6[C@@H]12.[C@@H]19CCCCN17.C1%10CC2(CC2)C1.c17ncccn1.O=C59.C6%10=O.N58
|
O=C(C1=C[C@@H]2CC=CC[C@H]12)N1CC(N2CCN(C(=O)c3ccc(Cl)s3)CC2)C1
|
O=CC=C[C@@H]CC=CC[C@H]86))))))))NCCNCCNC=O)ccccCl)s5))))))CC6))))))C4
|
[O][=C][Branch1][=N][C][=C][C@@H1][C][C][=C][C][C@H1][Ring1][Branch2][Ring1][=Branch1][N][C][C][Branch2][Ring1][=Branch2][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][C][Ring1][=C][C][Ring2][Ring1][C]
|
O=C4C1=C[C@@H]2CC=CC[C@H]12.N16CCN5CC1.c17ccc(Cl)s1.N14CC6C1.C57=O
|
COC(CCCN(C)C(=O)[C@H]1CC[C@H](n2cc(C(C3CC3)C3CC3)nn2)C1)OC
|
COCCCCNC)C=O)[C@H]CC[C@H]nccCCCC3)))CCC3))))nn5)))))C5))))))))))OC
|
[C][O][C][Branch2][Ring2][N][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][C][C][C@H1][Branch2][Ring1][#Branch1][N][C][=C][Branch1][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1][N][=N][Ring1][N][C][Ring1][P][O][C]
|
C56CCC7.[C@H]18CC[C@H]%12C1.n1%12cc9nn1.N47C.C48=O.C9%10%11.C1%10CC1.C1%11CC1.CO5.O6C
|
CCOCCN=C(NCC(C)(C)C#N)N1C[C@@H](C)[C@H](C(=O)OC)C1
|
CCOCCN=CNCCC)C)C#N)))))NC[C@@H]C)[C@H]C=O)OC)))C5
|
[C][C][O][C][C][N][=C][Branch1][N][N][C][C][Branch1][C][C][Branch1][C][C][C][#N][N][C][C@@H1][Branch1][C][C][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][#Branch2]
|
C4CN=C(N5)N1C[C@@H]6[C@H](C)C1.C5C(C)(C)C#N.C26=O.CC3.O34.O2C
|
C[C@H](Cc1ccco1)C(=O)NCCO[C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3(C)C)C1
|
C[C@H]Ccccco5))))))C=O)NCCO[C@@H]CCNC=O)[C@]C[C@H]3COC6C)C))))))))C5
|
[C][C@H1][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C@@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@][C][C@H1][Ring1][Ring1][C][O][C][Ring1][=Branch1][Branch1][C][C][C][C][Ring1][#C]
|
[C@]129C[C@H]1COC2(C)C.C[C@H](C%10)C4=O.[C@@H]17CCN5C1.c1%10ccco1.C8C6.C59=O.N48.O67
|
CCc1ccc(C(=O)N[C@@H]2CCC[C@@]2(C)CNC(=O)CC(COC)COC)s1
|
CCccccC=O)N[C@@H]CCC[C@@]5C)CNC=O)CCCOC)))COC)))))))))))))))s5
|
[C][C][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@@H1][C][C][C][C@@][Ring1][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][Ring2][C][O][C][C][O][C][S][Ring2][Ring1][#Branch2]
|
C4(=O)CC(C5)C6.[C@@H]18CCC[C@]1%11C.c1%10ccc9s1.C39=O.CC%10.N38.C7%11.N47.O5C.O6C
|
COCCN(C)CCNC(=O)[C@@H](CC1CC1)NC(=O)CN(C)C(=O)COC
|
COCCNC)CCNC=O)[C@@H]CCCC3))))NC=O)CNC)C=O)COC
|
[C][O][C][C][N][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C]
|
C2(=O)[C@H]%12C4.C5(=O)C3.C6(=O)C8.C7C9.N9%10C.C%10C%11.C14CC1.N63C.CO7.N2%11.N5%12.O8C
|
CCCC[C@@H](C)CCC(=O)NCCC[C@@H](O)C(=O)N(C)CC(C)(C)O
|
CCCC[C@@H]C)CCC=O)NCCC[C@@H]O)C=O)NC)CCC)C)O
|
[C][C][C][C][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][O]
|
CCCC[C@@H](C)CCC1=O.C3CC[C@@H](O)C2=O.C4C(C)(C)O.N24C.N13
|
O=C(c1ccoc1Cl)N1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)COCC1CCCC1)C3
|
O=Ccccoc5Cl))))))NC[C@H][C@H]CC[C@@H][C@H]6C9))NC=O)COCCCCCC5)))))))))C6
|
[O][=C][Branch1][=Branch2][C][C][=C][O][C][=Ring1][Branch1][Cl][N][C][C@H1][C@H1][C][C][C@@H1][Branch1][#Branch1][C@H1][Ring1][=Branch1][C][Ring1][=Branch2][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][C][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][C]
|
N14C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N5C3.c18ccoc1Cl.C19CCCC1.C5(=O)C6.O=C48.O67.C79
|
C=C=CCC(=O)N[C@@H](CC1CC1)C(=O)N1CC2(CN(C)C2)C1
|
C=C=CCC=O)N[C@@H]CCCC3))))C=O)NCCCNC)C4)))C4
|
[C][=C][=C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][N][Branch1][C][C][C][Ring1][Branch1][C][Ring1][Branch2]
|
N14CC2(C1)CN(C)C2.C=C=CCC3=O.[C@H]5(C6)C4=O.C16CC1.N35
|
Cc1nc(C)n(CC(=O)N2C[C@H]3CCC[C@@](NC(=O)c4cnncc4O)(C3)C2)n1
|
CcncC)nCC=O)NC[C@H]CCC[C@@]NC=O)ccnncc6O)))))))))C6)C8))))))))))n5
|
[C][C][N][=C][Branch1][C][C][N][Branch2][Ring2][=Branch1][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C@@][Branch1][#C][N][C][=Branch1][C][=O][C][=C][N][=N][C][=C][Ring1][=Branch1][O][Branch1][Ring2][C][Ring1][S][C][Ring2][Ring1][Ring1][N][=Ring2][Ring1][N]
|
N15C[C@H]2CCC[C@@]7(C2)C1.Cc1nc(C)n9n1.c18cnncc1O.C9C5=O.C68=O.N67
|
COCC[C@@H](CNC(=O)C=C1CCN(C)C1)NC(=O)C(=O)c1c(C)nn(C)c1C
|
COCC[C@@H]CNC=O)C=CCCNC)C5)))))))))NC=O)C=O)ccC)nnC)c5C
|
[C][O][C][C][C@@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][C][N][Branch1][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C]
|
c17c(C)nn(C)c1C.C4C[C@H]5C6.C1=8CCN(C)C1.C3(=O)C7=O.C2(=O)C=8.CO4.N26.N35
|
COc1ccc(F)c(C(=O)N2C[C@@H](CNC(=O)C3=CCCC3)OC(C)(C)C2)c1F
|
COccccF)cC=O)NC[C@@H]CNC=O)C=CCCC5))))))))OCC)C)C6)))))))c6F
|
[C][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][C][C][Ring1][Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][P][=C][Ring2][Ring1][#Branch2][F]
|
c16ccc(F)c8c1F.N14C[C@@H]9OC(C)(C)C1.C5(=O)C1=CCCC1.C48=O.CO6.C79.N57
|
CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@H]1CCC1(C)C)c1ccccc1
|
CCC)C)OC=O)N[C@@H]CC=O)N[C@H]CCC4C)C))))))))cccccc6
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][P][C][C][=Branch1][C][=O][N][C@H1][C][C][C][Ring1][Ring2][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
[C@@H]68CC4=O.[C@H]17CCC1(C)C.c18ccccc1.CC5(C)C.C23=O.O25.N36.N47
|
COc1cc(C)sc1C(=O)NC[C@@H]1CCN(C(=O)c2cc3c([nH]2)CCC(C)C3)C1
|
COcccC)sc5C=O)NC[C@@H]CCNC=O)cccc[nH]5)CCCC)C6)))))))))C5
|
[C][O][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][C][C][Branch1][C][C][C][Ring1][Branch2][C][Ring1][P]
|
c19cc2c([nH]1)CCC(C)C2.c16cc(C)sc18.[C@@H]1%10CCN5C1.C48=O.C59=O.CO6.N47.C7%10
|
N#Cc1cnccc1N1C[C@@H](CNC(=O)C(F)(F)C2(O)CCC2)OC2(CCC2)C1
|
N#Cccnccc6NC[C@@H]CNC=O)CF)F)CO)CCC4))))))))OCCCC4)))C6
|
[N][#C][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C][C@@H1][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][O][C][C][C][Ring1][Branch1][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring2][Ring1][Branch1]
|
N15C[C@@H]6OC2(CCC2)C1.N#Cc1cnccc15.C3(=O)C7(F)F.C17(O)CCC1.C46.N34
|
C[C@]1(C(=O)N2CC3(CCN(C(=O)[C@H](O)c4cc(F)cc(F)c4)C3)C2)CCC(=O)N1
|
C[C@]C=O)NCCCCNC=O)[C@H]O)cccF)ccF)c6))))))))C5))))C4)))))CCC=O)N5
|
[C][C@][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][S][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][P][C][Ring2][Ring1][Ring2][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][N]
|
N15CC2(CCN6C2)C1.c18cc(F)cc(F)c1.C[C@]17CCC(=O)N1.C6(=O)[C@@H]8O.C57=O
|
O=C(N[C@H]1CCCC2(CC1)CC2)[C@H]1CN(C(=O)C2(CC3CC3)CC2)CC1(F)F
|
O=CN[C@H]CCCCCC7))CC3))))))))[C@H]CNC=O)CCCCC3))))CC3))))CC5F)F
|
[O][=C][Branch1][P][N][C@H1][C][C][C][C][Branch1][Branch1][C][C][Ring1][#Branch1][C][C][Ring1][Branch1][C@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][Ring1][#Branch1][C][C][Ring1][=C][Branch1][C][F][F]
|
[C@H]16CCCC2(CC1)CC2.[C@H]17CN5CC1(F)F.C189CC1.O=C47.C58=O.C1%10CC1.N46.C9%10
|
CC[C@H](C(=O)N[C@H](C(=O)NC1(CSC)CCC1)C1(C)CC1)C(C)(C)CC
|
CC[C@H]C=O)N[C@H]C=O)NCCSC)))CCC4))))))CC)CC3))))))CC)C)CC
|
[C][C][C@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@H1][Branch1][P][C][=Branch1][C][=O][N][C][Branch1][Ring2][C][S][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][C][C][Ring1][Ring2][C][Branch1][C][C][Branch1][C][C][C][C]
|
CC[C@H](C2=O)C(C)(C)CC.[C@H]47C3=O.C158CCC1.C17(C)CC1.N24.N35.C68.S6C
|
C[C@@H]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2C[C@H](N(C)C(=O)c2cc(C(F)F)ncn2)C3)O1
|
C[C@@H]CC[C@H]C=O)N[C@@H]CC[C@H]5C[C@H]NC)C=O)cccCF)F))ncn6))))))))C7)))))))))O5
|
[C][C@@H1][C][C][C@H1][Branch2][Ring2][N][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Ring1][Branch1][C][C@H1][Branch2][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][C][=N][Ring1][=Branch2][C][Ring2][Ring1][Ring2][O][Ring2][Ring1][N]
|
N14[C@@H]2CC[C@H]1C[C@H]6C2.c18cc9ncn1.C[C@@H]1CC[C@H]7O1.C47=O.N56C.C58=O.C9(F)F
|
CCCC(=O)NCc1ccc(CCNC(=O)C(F)(F)c2ncccn2)cc1
|
CCCC=O)NCccccCCNC=O)CF)F)cncccn6)))))))))))cc6
|
[C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2]
|
c18ccc9cc1.C4(=O)C7(F)F.c17ncccn1.CCCC3=O.C9C6.N35.C58.N46
|
CC(C)CSCCC(=O)N[C@H]1COCCN(C(=O)c2ncc(Cl)cc2F)C1
|
CCC)CSCCC=O)N[C@H]COCCNC=O)cnccCl)cc6F))))))))C7
|
[C][C][Branch1][C][C][C][S][C][C][C][=Branch1][C][=O][N][C@H1][C][O][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][C][Ring1][P]
|
[C@H]17COCCN4C1.c18ncc(Cl)cc1F.C6CC3=O.CC(C)C5.C48=O.S56.N37
|
CCn1nc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2(C(C)C)COC2)cc1C1CC1
|
CCnncC=O)N[C@@H]CCCC[C@H]6NC=O)CCC)C))COC4))))))))))))))cc5CCC3
|
[C][C][N][N][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][C][O][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2][C][C][C][Ring1][Ring1]
|
n19nc7cc1%11.[C@@H]15CCCC[C@H]16.C18%10COC1.C37=O.C48=O.C%10(C)C.C1%11CC1.CC9.N35.N46
|
CC(C)CC(F)(F)C(=O)N[C@@H]1CCN(C(=O)c2cc(C#N)cs2)[C@@H](C2CC2)C1
|
CCC)CCF)F)C=O)N[C@@H]CCNC=O)cccC#N))cs5))))))[C@@H]CCC3)))C6
|
[C][C][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][#N][=C][S][Ring1][#Branch1][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][C]
|
CC(C)CC(F)(F)C3=O.[C@@H]15CCN4[C@@H]7C1.c16cc(C#N)cs1.C46=O.C17CC1.N35
|
C[C@@H]1CC=C(c2cnc(CC(=O)NCc3cn4ccccc4n3)nc2)CC1
|
C[C@@H]CC=CccncCC=O)NCccnccccc6n9)))))))))))))nc6))))))CC6
|
[C][C@@H1][C][C][=C][Branch2][Ring1][P][C][=C][N][=C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][N][=C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][#Branch2]
|
C[C@@H]1CC=C(c2cnc7nc2)CC1.c18cn2ccccc2n1.C7C5=O.N56.C68
|
CCc1ccc(C(=O)N[C@]23CO[C@H](C2)[C@H](NC(=O)C2=C[C@H]4C=C[C@@H](C2)C4)C3)s1
|
CCccccC=O)N[C@]CO[C@H]C5)[C@H]NC=O)C=C[C@H]C=C[C@@H]C7)C5)))))))))C6))))))))s5
|
[C][C][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C@][C][O][C@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C@H1][C][=C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][=Branch1][C][Ring2][Ring1][C][S][Ring2][Ring1][#Branch2]
|
C6(=O)C1=C[C@H]2C=C[C@@H](C1)C2.[C@]127CO[C@H](C1)[C@H]8C2.c1%10ccc9s1.C59=O.CC%10.N57.N68
|
CC[C@@H]1OCC[C@H]1C(=O)N(C)CCc1cn(-c2cccc(C(F)(F)F)c2C)nn1
|
CC[C@@H]OCC[C@H]5C=O)NC)CCccn-cccccCF)F)F))c6C)))))))nn5
|
[C][C][C@@H1][O][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][N][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][N][=N][Ring1][S]
|
c19cccc8c1C.[C@@H]16OCC[C@H]15.c17cn9nn1.C8(F)(F)F.C35=O.N34C.C4C7.CC6
|
CC[C@](C)(CNC(=O)c1[nH]nc2cnccc12)NC(=O)C1=C(C)C(C)(C)OC1=O
|
CC[C@]C)CNC=O)c[nH]nccnccc96))))))))))))NC=O)C=CC)CC)C)OC5=O
|
[C][C][C@][Branch1][C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][NH1][N][=C][C][=N][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][Branch2][=O]
|
C4(=O)C1=C(C)C(C)(C)OC1=O.c17[nH]nc2cnccc12.CC[C@]5(C)C6.C37=O.N36.N45
|
C#C[C@@]1(C(=O)NC2C3CCC2CC3)CCN(C(=O)c2cccc(OC)n2)C1
|
C#C[C@@]C=O)NCCCCC5CC6)))))))))CCNC=O)cccccOC))n6)))))))C5
|
[C][#C][C@@][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=N][Ring1][Branch2][C][Ring2][Ring1][=Branch2]
|
C#C[C@@]19CCN5C1.C17C2CCC1CC2.c18cccc6n1.C49=O.C58=O.N47.O6C
|
C[C@H](CN(C)C(=O)[C@H](C)CC(F)(F)F)NC(=O)C1(c2ccc(C(N)=O)cc2)CC1
|
C[C@H]CNC)C=O)[C@H]C)CCF)F)F)))))))NC=O)CccccCN)=O))cc6))))))CC3
|
[C][C@H1][Branch2][Ring1][#Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F][N][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][C][Ring1][N]
|
C3(=O)[C@H](C)CC(F)(F)F.c19ccc8cc1.C[C@@H]5C6.C179CC1.N36C.C47=O.C8(N)=O.N45
|
CC(C)(O)CC(=O)N1CC[C@@]2(CCC[C@@H]2C(=O)Nc2cccc(S(C)(=O)=O)c2)C1
|
CCC)O)CC=O)NCC[C@@]CCC[C@@H]5C=O)NcccccSC)=O)=O))c6))))))))))))C5
|
[C][C][Branch1][C][C][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][C@@][Branch2][Ring1][=C][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][#Branch2][C][Ring2][Ring1][=Branch1]
|
N13CC[C@@]2(CCC[C@@H]26)C1.c15cccc(S(C)(=O)=O)c1.CC(C)(O)CC3=O.C46=O.N45
|
C=Cc1cncc(C(=O)NCCCC[C@H](C)NC(=O)[C@H]2C[C@@H]2C(C)(C)C)c1
|
C=CccnccC=O)NCCCC[C@H]C)NC=O)[C@H]C[C@@H]3CC)C)C))))))))))))))c6
|
[C][=C][C][=C][N][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][C@@H1][Ring1][Ring1][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][=Branch2]
|
C=Cc1cncc8c1.C5CCC[C@@H]6C.[C@H]17C[C@@H]19.C9(C)(C)C.C38=O.C47=O.N35.N46
|
CCN(C(=O)c1n[nH]cc1C)[C@H]1CCCN(C(=O)C[C@@H]2CC(F)(F)C2(F)F)CC1
|
CCNC=O)cn[nH]cc5C)))))))[C@H]CCCNC=O)C[C@@H]CCF)F)C4F)F)))))))CC7
|
[C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][C@H1][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C@@H1][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][Branch1][C][F][F][C][C][Ring2][Ring1][C]
|
[C@H]16CCCN4CC1.[C@@H]18CC(F)(F)C1(F)F.c17n[nH]cc1C.C4(=O)C8.N356.C37=O.CC5
|
CC[C@@H]1CN(C(=O)c2c(C)noc2C2CC2)CCN1C(=O)CCc1cnc(O)[nH]1
|
CC[C@@H]CNC=O)ccC)noc5CCC3)))))))))CCN6C=O)CCccncO)[nH]5
|
[C][C][C@@H1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C][Ring1][Ring1][C][C][N][Ring1][P][C][=Branch1][C][=O][C][C][C][=C][N][=C][Branch1][C][O][NH1][Ring1][=Branch1]
|
[C@@H]16CN3CCN14.c15c(C)noc18.c17cnc(O)[nH]1.C4(=O)CC7.C35=O.C18CC1.CC6
|
COC(=O)c1cccc(CN2C[C@@H]3CN(S(=O)(=O)c4cnc(Cl)nc4)C[C@H]32)c1
|
COC=O)cccccCNC[C@@H]CNS=O)=O)ccncCl)nc6)))))))C[C@H]57))))))))c6
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][C][C][N][C][C@@H1][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][C][C@H1][Ring1][#C][Ring1][P][=C][Ring2][Ring1][Branch2]
|
S7(=O)(=O)c1cnc(Cl)nc1.N16C[C@@H]2CN7C[C@H]21.c18cccc9c1.C58=O.CO5.C69
|
Cc1nnsc1[C@H](C)Nc1nc(N(C)Cc2cnccn2)nc2c(C)nn(C)c12
|
Ccnnsc5[C@H]C)NcncNC)Cccnccn6))))))))nccC)nnC)c95
|
[C][C][N][=N][S][C][=Ring1][Branch1][C@H1][Branch1][C][C][N][C][=N][C][Branch1][=C][N][Branch1][C][C][C][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=Ring1][#Branch1]
|
c15nc6nc2c(C)nn(C)c12.Cc1nnsc17.c18cnccn1.[C@@H]37C.N46C.N35.C48
|
CC(C)(C)c1[nH]cnc1C(=O)N[C@H]1COCCN(c2nc(Cl)ncc2Br)C1
|
CCC)C)c[nH]cnc5C=O)N[C@H]COCCNcncCl)ncc6Br)))))))C7
|
[C][C][Branch1][C][C][Branch1][C][C][C][NH1][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][C][O][C][C][N][Branch1][=N][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][Br][C][Ring1][#C]
|
[C@H]15COCCN4C1.c14nc(Cl)ncc1Br.c17[nH]cnc16.CC7(C)C.C36=O.N35
|
Cc1nn[nH]c1C(=O)N1CCOC[C@H]1CN(C)C(=O)c1c(C)c(C)nn(C)c1=O
|
Ccnn[nH]c5C=O)NCCOC[C@H]6CNC)C=O)ccC)cC)nnC)c6=O
|
[C][C][N][=N][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C@H1][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][Ring1][=Branch2][=O]
|
c16c(C)c(C)nn(C)c1=O.N12CCOC[C@H]17.Cc1nn[nH]c15.C25=O.N34C.C36=O.C47
|
COc1ccc(NC(=O)C2CCC(CNC(=O)[C@H]3CCC(=O)NC3)CC2)cc1C
|
COccccNC=O)CCCCCNC=O)[C@H]CCC=O)NC6)))))))))CC6))))))))cc6C
|
[C][O][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch2][C]
|
c16ccc8cc1C.C19CCC%11CC1.[C@H]1%10CCC(=O)NC1.C49=O.C5%10=O.CO6.N48.C7%11.N57
|
CCc1cccc(C(=O)NCC[C@@H]2C[C@H](OC)CN2C(=O)C[C@@H](C)SC)c1F
|
CCcccccC=O)NCC[C@@H]C[C@H]OC))CN5C=O)C[C@@H]C)SC))))))))))))))c6F
|
[C][C][C][=C][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C@@H1][C][C@H1][Branch1][Ring1][O][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][S][C][=C][Ring2][Ring1][=Branch2][F]
|
c1%10cccc8c1F.[C@@H]19C[C@H]5CN14.C4(=O)C[C@H]7C.C38=O.C6C9.CC%10.N36.O5C.S7C
|
O=C(CCn1cncn1)N[C@H]1C[C@H](C(=O)N=c2cc(-c3ccc(Br)cc3)[nH][nH]2)C1
|
O=CCCncncn5)))))))N[C@H]C[C@H]C=O)N=ccc-ccccBr)cc6))))))[nH][nH]5)))))))C4
|
[O][=C][Branch1][#Branch2][C][C][N][C][=N][C][=N][Ring1][Branch1][N][C@H1][C][C@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][NH1][NH1][Ring1][N][C][Ring2][Ring1][Ring1]
|
C6(=O)N=c1cc8[nH][nH]1.c18ccc(Br)cc1.O=C4CC7.n17cncn1.[C@H]15C[C@H]6C1.N45
|
CCc1n[nH]c(=N[C@@H](CNC(=O)c2cc(Cl)c[nH]2)[C@@H](C)C(C)C)o1
|
CCcn[nH]c=N[C@@H]CNC=O)cccCl)c[nH]5))))))))[C@@H]C)CC)C)))))o5
|
[C][C][C][=N][NH1][C][=Branch2][Ring1][=C][=N][C@@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][NH1][Ring1][=Branch1][C@@H1][Branch1][C][C][C][Branch1][C][C][C][O][Ring2][Ring1][=Branch1]
|
c16n[nH]c(=N[C@@H](C4)[C@@H](C)C(C)C)o1.c15cc(Cl)c[nH]1.C35=O.CC6.N34
|
Cc1nc(C(=O)N[C@]2(C)C[C@@H](NC(=O)[C@H]3CCCCN3N=O)C2)c(C)o1
|
CcncC=O)N[C@]C)C[C@@H]NC=O)[C@H]CCCCN6N=O))))))))))C4))))))cC)o5
|
[C][C][=N][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@][Branch1][C][C][C][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C@H1][C][C][C][C][N][Ring1][=Branch1][N][=O][C][Ring1][S][=C][Branch1][C][C][O][Ring2][Ring1][=Branch2]
|
[C@H]18CCCCN1N=O.Cc1nc9c(C)o1.[C@]16(C)C[C@H]7C1.C49=O.C58=O.N46.N57
|
CCOC[C@H](N=[N+]=[N-])C(=O)N(C)[C@@H](CC)CC(=O)N1CC[C@@H](C2CC2)C1
|
CCOC[C@H]N=[N+]=[N-])))C=O)NC)[C@@H]CC))CC=O)NCC[C@@H]CCC3)))C5
|
[C][C][O][C][C@H1][Branch1][Ring2][N][=N+1][=N-1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][Branch2]
|
C6[C@H](N=[N+]=[N-])C3=O.N14CC[C@@H](C2CC2)C1.[C@H]7(CC)CC4=O.N37C.CC5.O56
|
CC(C)[C@@H](CO)NC(=O)[C@@H]1CCCCN1C(=O)COc1nc2ccccc2s1
|
CCC)[C@@H]CO))NC=O)[C@@H]CCCCN6C=O)COcncccccc6s9
|
[C][C][Branch1][C][C][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2]
|
c16nc2ccccc2s1.[C@@H]18CCCCN14.CC(C)[C@H]7CO.C4(=O)C5.C38=O.N37.O56
|
C[C@@H](F)CC(=O)NC[C@@H](NC(=O)CCOC1CCN(C)CC1)C1CCC1
|
C[C@@H]F)CC=O)NC[C@@H]NC=O)CCOCCCNC)CC6)))))))))))CCCC4
|
[C][C@@H1][Branch1][C][F][C][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][C][C][Ring1][Ring2]
|
C15CCN(C)CC1.C[C@@H](F)CC2=O.C3(=O)CC4.C6[C@@H]78.C18CCC1.N26.N37.O45
|
O=C(C[C@H]1C=CCC1)N[C@@H]1CCOC12CCN(c1ncnc3c1SCCC3)CC2
|
O=CC[C@H]C=CCC5))))))N[C@@H]CCOC5CCNcncncc6SCCC6))))))))))CC6
|
[O][=C][Branch1][=Branch2][C][C@H1][C][=C][C][C][Ring1][Branch1][N][C@@H1][C][C][O][C][Ring1][Branch1][C][C][N][Branch1][#C][C][=N][C][=N][C][=C][Ring1][=Branch1][S][C][C][C][Ring1][=Branch1][C][C][Ring1][S]
|
[C@@H]16CCOC12CCN5CC2.c15ncnc2c1SCCC2.[C@H]17C=CCC1.O=C4C7.N46
|
Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(F)cc(Br)c3C)C[C@H]2F)cc(O)n1
|
CcccC=O)N[C@H]CCNC=O)cccF)ccBr)c6C))))))))C[C@H]6F)))))))))ccO)n6
|
[C][C][=C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Br][=C][Ring1][Branch2][C][C][C@H1][Ring1][P][F][=C][C][Branch1][C][O][=N][Ring2][Ring1][N]
|
c18cc(F)cc(Br)c1C.Cc1cc7cc(O)n1.[C@H]16CCN5C[C@H]1F.C47=O.C58=O.N46
|
CCC1(CC(=O)N2CC[C@H]3CN(C(=O)c4nnn(C)c4C)[C@@H]3C2)CCC1
|
CCCCC=O)NCC[C@H]CNC=O)cnnnC)c5C)))))))[C@@H]4C8))))))))))CCC4
|
[C][C][C][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][C@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][N][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C@@H1][Ring1][=N][C][Ring1][P][C][C][C][Ring2][Ring1][Branch2]
|
N15CC[C@H]2CN6[C@@H]2C1.c17nnn(C)c1C.C189CCC1.C9C5=O.C67=O.CC8
|
O=C(c1ccoc1C1CC1)N1CC([C@@H]2CCCN(C(=O)[C@]34C[C@H]3CNC4=O)C2)C1
|
O=Ccccoc5CCC3))))))))NCC[C@@H]CCCNC=O)[C@]C[C@H]3CNC6=O))))))))C6))))))C4
|
[O][=C][Branch1][=N][C][C][=C][O][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][N][C][C][Branch2][Ring1][#Branch2][C@@H1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C@][C][C@H1][Ring1][Ring1][C][N][C][Ring1][=Branch1][=O][C][Ring1][#C][C][Ring2][Ring1][Ring1]
|
N15CC([C@@H]2CCCN6C2)C1.[C@]127C[C@H]1CNC2=O.c18ccoc19.O=C58.C19CC1.C67=O
|
O=C(N[C@H]1C[C@@H]2CN(C(=O)c3ncccc3O)C[C@@H]2C1)[C@@H]1CCC[C@H]2C[C@@H]21
|
O=CN[C@H]C[C@@H]CNC=O)cncccc6O))))))))C[C@@H]5C8)))))))))[C@@H]CCC[C@H]C[C@@H]37
|
[O][=C][Branch2][Ring1][=N][N][C@H1][C][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][C@@H1][Ring1][=C][C][Ring1][P][C@@H1][C][C][C][C@H1][C][C@@H1][Ring1][Ring1][Ring1][#Branch1]
|
[C@H]16C[C@@H]2CN5C[C@@H]2C1.c17ncccc1O.[C@@H]18CCC[C@H]2C[C@@H]21.O=C48.C57=O.N46
|
CN(CCCNC(=O)Cn1nc(O)ccc1=O)CCCNC(=O)C1=CCN(C)C1
|
CNCCCNC=O)CnncO)ccc6=O)))))))))))))CCCNC=O)C=CCNC)C5
|
[C][N][Branch2][Ring1][=Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][O][C][=C][C][Ring1][#Branch1][=O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][N][Branch1][C][C][C][Ring1][=Branch1]
|
n18nc(O)ccc1=O.C3(=O)C1=CCN(C)C1.C4CC5.C2(=O)C8.C6CC7.CN46.N25.N37
|
COCc1ccc(C(=O)N[C@H]2C[C@](F)(CNC(=O)c3ccoc3C3CC3)C2)cc1
|
COCccccC=O)N[C@H]C[C@]F)CNC=O)cccoc5CCC3)))))))))))C4))))))cc6
|
[C][O][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@H1][C][C@][Branch1][C][F][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][C][Ring1][P][C][=C][Ring2][Ring1][#Branch2]
|
c1%13ccc%10cc1.[C@H]19C[C@@]%12(F)C1.c1%11ccoc15.C4%10=O.C6%11=O.C15CC1.CO7.C7%13.N49.C8%12.N68
|
CC[C@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])NC(=O)[C@@H]1CC1(C)C
|
CC[C@H]CNC=O)CCccCl)cccc6[N+]=O)[O-])))))))))))))NC=O)[C@@H]CC3C)C
|
[C][C][C@H1][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][Branch1][C][C][C]
|
c17c(Cl)cccc1[N+](=O)[O-].CC[C@@H]4C5.C2(=O)CC7.[C@@H]16CC1(C)C.C36=O.N25.N34
|
Cc1n[nH]cc1CCNC(=O)C[C@H]1CN(C(=O)[C@@H](C)n2cncn2)CCO1
|
Ccn[nH]cc5CCNC=O)C[C@H]CNC=O)[C@@H]C)ncncn5)))))))CCO6
|
[C][C][=N][NH1][C][=C][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][C@H1][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][=N][C][=N][Ring1][Branch1][C][C][O][Ring1][#C]
|
[C@H]17CN4CCO1.Cc1n[nH]cc18.C4(=O)[C@H]6C.n16cncn1.C3(=O)C7.C8C5.N35
|
COCCSCC(=O)N[C@@H]1CC(C(=O)NCCc2cccs2)=C[C@@H]1O
|
COCCSCC=O)N[C@@H]CCC=O)NCCccccs5)))))))))=C[C@@H]5O
|
[C][O][C][C][S][C][C][=Branch1][C][=O][N][C@@H1][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][S][Ring1][Branch1][=C][C@@H1][Ring1][#C][O]
|
[C@@H]19CC(C4=O)=C[C@@H]1O.c1%10cccs1.C8C3=O.C5C7.C6C%10.CO5.S78.N39.N46
|
CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](C)CCCCNC(=O)C[C@H](CC)C(C)C
|
CCCC[C@H]ON=CC)C))))C=O)N[C@@H]C)CCCCNC=O)C[C@H]CC))CC)C
|
[C][C][C][C][C@H1][Branch1][Branch2][O][N][=C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C@H1][Branch1][Ring1][C][C][C][Branch1][C][C][C]
|
C2(=O)C[C@H](CC)C(C)C.CCCC[C@H]3C1=O.[C@H]4(C)CCCC5.O3N=C(C)C.N14.N25
|
CCOC(C)(C)C(=O)N1C[C@@]2(NC(=O)c3cc4c(Cl)nccc4s3)CC[C@H]1C2
|
CCOCC)C)C=O)NC[C@@]NC=O)ccccCl)nccc6s9)))))))))))CC[C@H]6C5
|
[C][C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][N][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][C][C@H1][Ring2][Ring1][Ring1][C][Ring2][Ring1][C]
|
c1%10cc2c(Cl)nccc2s1.N15C[C@@]29CC[C@H]1C2.C8(C)(C)C5=O.C6%10=O.CC7.O78.N69
|
C[C@]12CC3CC(C(=O)NC[C@H](CO)NC(=O)c4ccc(F)o4)(C1)C[C@@](C)(C3)C2
|
C[C@]CCCCC=O)NC[C@H]CO))NC=O)ccccF)o5)))))))))))C6)C[C@@]C)C6)C8
|
[C][C@][C][C][C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][O][Ring1][=Branch1][Branch1][Branch1][C][Ring2][Ring1][=Branch1][C][C@@][Branch1][C][C][Branch1][Branch1][C][Ring2][Ring1][Branch2][C][Ring2][Ring1][O]
|
C[C@]12CC3CC%10(C1)C[C@@](C)(C3)C2.c19ccc(F)o1.C7[C@@H]8CO.C5%10=O.C69=O.N57.N68
|
O=C(NC1CCN([C@@H]2CCN(C(=O)[C@@H]3CCSC3)C2)CC1)c1cnccn1
|
O=CNCCCN[C@@H]CCNC=O)[C@@H]CCSC5))))))C5)))))CC6)))))))ccnccn6
|
[O][=C][Branch2][Ring2][C][N][C][C][C][N][Branch2][Ring1][Branch1][C@@H1][C][C][N][Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][S][C][Ring1][Branch1][C][Ring1][N][C][C][Ring2][Ring1][C][C][=C][N][=C][C][=N][Ring1][=Branch1]
|
C16CCN7CC1.[C@@H]17CCN5C1.c18cnccn1.[C@@H]19CCSC1.O=C48.C59=O.N46
|
C[C@@H](CN1CCN(C(=O)c2ccc3c(n2)COCC3)CC1)NC(=O)C(C)(Cl)Cl
|
C[C@@H]CNCCNC=O)cccccn6)COCC6))))))))))CC6)))))))NC=O)CC)Cl)Cl
|
[C][C@@H1][Branch2][Ring2][C][C][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][O][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][Cl][Cl]
|
c18ccc2c(n1)COCC2.N17CCN4CC1.C5(=O)C(C)(Cl)Cl.C[C@H]6C7.C48=O.N56
|
C=C=C[C@H](C)C(=O)NCc1ccsc1C(=O)NCC(F)(F)C(=O)OC
|
C=C=C[C@H]C)C=O)NCcccsc5C=O)NCCF)F)C=O)OC
|
[C][=C][=C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][O][C]
|
C=C=C[C@H](C)C3=O.C6C(F)(F)C2=O.c18ccsc17.C47=O.N35.C58.N46.O2C
|
CS(=O)(=O)C[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)C#C[C@@H]1CCCOC1
|
CS=O)=O)C[C@@H]C[C@@H]CCC[C@@H]5N8C=O)C#C[C@@H]CCCOC6
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@@H1][C][C@@H1][C][C][C][C@@H1][Ring1][Branch1][N][Ring1][Branch2][C][=Branch1][C][=O][C][#C][C@@H1][C][C][C][O][C][Ring1][=Branch1]
|
C3(=O)C#C[C@@H]1CCCOC1.[C@@H]14C[C@@H]2CCC[C@@H]2N13.CS(=O)(=O)C4
|
CCN(C(=O)c1cnc2ncnn2c1C)[C@@H](C)CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2
|
CCNC=O)ccncncnn5c9C)))))))))))[C@@H]C)CNC=O)[C@@H]C[C@@H]C=C[C@H]6CC6
|
[C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=N][C][=N][C][=N][N][Ring1][Branch1][C][=Ring1][=Branch2][C][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][=C][C@H1][Ring1][=Branch1][C][C][Ring1][=Branch1]
|
c19cnc2ncnn2c1C.[C@@H]18C[C@@H]2C=C[C@H]1CC2.[C@H]6(C)C7.N356.C39=O.C48=O.CC5.N47
|
O=C(CC1=CCOCC1)NC1([C@H]2CCCN(C(=O)c3coc(C4CC4)n3)C2)CC1
|
O=CCC=CCOCC6)))))))NC[C@H]CCCNC=O)ccocCCC3)))n5))))))C6))))))CC3
|
[O][=C][Branch1][#Branch2][C][C][=C][C][O][C][C][Ring1][=Branch1][N][C][Branch2][Ring1][=C][C@H1][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][Ring1][S][C][C][Ring2][Ring1][Ring1]
|
C17([C@H]2CCCN6C2)CC1.O=C5CC1=CCOCC1.c18coc9n1.C68=O.C19CC1.N57
|
CC[C@](C)(CN[C@@](C)(CC(C)(C)C#N)c1nnnn1CC(F)F)c1ccncc1
|
CC[C@]C)CN[C@@]C)CCC)C)C#N))))cnnnn5CCF)F)))))))))))cccncc6
|
[C][C][C@][Branch1][C][C][Branch2][Ring1][S][C][N][C@@][Branch1][C][C][Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][#N][C][=N][N][=N][N][Ring1][Branch1][C][C][Branch1][C][F][F][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
[C@@]35(C)CC(C)(C)C#N.CC[C@]6(C)C2.c15nnnn14.c16ccncc1.C4C(F)F.N23
|
CCOCCCONC(=O)[C@]1(NC(=O)Cc2nocc2C)CCC(C)(C)C1
|
CCOCCCONC=O)[C@]NC=O)Ccnocc5C)))))))))CCCC)C)C5
|
[C][C][O][C][C][C][O][N][C][=Branch1][C][=O][C@][Branch1][#C][N][C][=Branch1][C][=O][C][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][P]
|
[C@]178CCC(C)(C)C1.c19nocc1C.O6NC8=O.C5CC6.C3(=O)C9.CC4.O45.N37
|
COC(=O)CCCCCCCCC(=O)NCCC[C@@H](C)NC(=O)C1=CCCSC1
|
COC=O)CCCCCCCCC=O)NCCC[C@@H]C)NC=O)C=CCCSC6
|
[C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][C][S][C][Ring1][=Branch1]
|
C2(=O)CCCCCCCCC3=O.C4(=O)C1=CCCSC1.C5CC[C@H]6C.CO2.N35.N46
|
O=C(c1nn[nH]c1C(F)(F)F)N1CCC[C@H](CNC(=O)C23CC(C2)S(=O)(=O)C3)C1
|
O=Ccnn[nH]c5CF)F)F)))))))NCCC[C@H]CNC=O)CCCC4)S=O)=O)C5))))))))C6
|
[O][=C][Branch1][S][C][N][=N][NH1][C][=Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][N][C][C][C][C@H1][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][C][Branch1][Ring2][C][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][Branch2][C][Ring2][Ring1][C]
|
C128CC(C1)S(=O)(=O)C2.N14CCC[C@H]%10C1.c17nn[nH]c19.C9(F)(F)F.O=C47.C58=O.C6%10.N56
|
COc1c[nH]nc1C(=O)NC[C@H](NC(=O)c1cnc2c(F)cccc2c1)C1CC1
|
COcc[nH]nc5C=O)NC[C@H]NC=O)ccnccF)cccc6c%10))))))))))))CCC3
|
[C][O][C][=C][NH1][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][F][=C][C][=C][C][Ring1][#Branch1][=C][Ring1][O][C][C][C][Ring1][Ring1]
|
c19cnc2c(F)cccc2c1.c15c[nH]nc18.C6[C@H]7%10.C38=O.C49=O.C1%10CC1.CO5.N36.N47
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.