SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
CCO[C@H](C)CCC(=O)N1CCC[C@H](CC(=O)Nc2cnccc2C)CC1
|
CCO[C@H]C)CCC=O)NCCC[C@H]CC=O)Nccnccc6C))))))))))CC7
|
[C][C][O][C@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][C][C][Ring2][Ring1][C]
|
N13CCC[C@H]8CC1.[C@@H]6(C)CCC3=O.c17cnccc1C.C8C4=O.CC5.O56.N47
|
Cc1ncnc(C)c1C(=O)NC[C@@]1(CNC(=O)C23CC(C)(CO2)C3)CC12CCC2
|
CcncncC)c6C=O)NC[C@@]CNC=O)CCCC)CO5))C4)))))))CC3CCC4
|
[C][C][=N][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@@][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][Branch1][C][O][Ring1][=Branch1][C][Ring1][#Branch1][C][C][Ring1][=C][C][C][C][Ring1][Ring2]
|
Cc1ncnc(C)c19.[C@]1%10%11CC12CCC2.C128CC(C)(CO1)C2.C49=O.C58=O.N46.C6%10.C7%11.N57
|
Cc1n[nH]cc1C(=O)N1C[C@H]2CCC[C@@]1(CNC(=O)[C@H]1CCc3ncnn3C1)C2
|
Ccn[nH]cc5C=O)NC[C@H]CCC[C@@]7CNC=O)[C@H]CCcncnn5C9))))))))))))C6
|
[C][C][=N][NH1][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C@@][Ring1][#Branch1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@H1][C][C][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][=Branch2][C][Ring2][Ring1][Ring1]
|
N14C[C@H]2CCC[C@@]19C2.[C@H]17CCc2ncnn2C1.Cc1n[nH]cc18.C48=O.C57=O.C69.N56
|
Cc1nc(C(=O)N(C)C2CN(C(=O)Cn3cc(Br)ccc3=O)C2)n(C)n1
|
CcncC=O)NC)CCNC=O)CnccBr)ccc6=O)))))))))C4))))))nC)n5
|
[C][C][N][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=O][C][Ring1][#C][N][Branch1][C][C][N][=Ring2][Ring1][=Branch2]
|
n18cc(Br)ccc1=O.Cc1nc7n(C)n1.C16CN5C1.C5(=O)C8.C47=O.N46C
|
Cc1conc1CC(=O)N1CCN(C(=O)CCc2cnc[nH]2)C[C@H]2CCCC[C@@H]21
|
Ccconc5CC=O)NCCNC=O)CCccnc[nH]5))))))))C[C@H]CCCC[C@@H]6%11
|
[C][C][=C][O][N][=C][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][=C][N][=C][NH1][Ring1][Branch1][C][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][Ring2][Ring1][Ring2]
|
N13CCN4C[C@H]2CCCC[C@@H]21.Cc1conc15.C4(=O)CC6.c16cnc[nH]1.C5C3=O
|
O=C(NC[C@H](O)CNC(=O)[C@@H]1CCCC[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1O
|
O=CNC[C@H]O)CNC=O)[C@@H]CCCC[C@@H]6CCC3)))))))))))))))cccc[N+]=O)[O-]))cc6O
|
[O][=C][Branch2][Ring1][#Branch2][N][C][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][O]
|
c17ccc([N+](=O)[O-])cc1O.[C@@H]16CCCC[C@@H]1C1CC1.C4[C@H](O)C5.O=C27.C36=O.N24.N35
|
C#C[C@@H]1CN(C(=O)CN2CCCC[C@@H]2C)CCN1C(=O)[C@H]1CN(C(C)C)CCO1
|
C#C[C@@H]CNC=O)CNCCCC[C@@H]6C)))))))))CCN6C=O)[C@H]CNCC)C))CCO6
|
[C][#C][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][C][C][N][Ring1][S][C][=Branch1][C][=O][C@H1][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][O][Ring1][=Branch2]
|
C#C[C@@H]1CN3CCN14.N15CCCC[C@@H]1C.[C@H]17CN6CCO1.C3(=O)C5.C47=O.C6(C)C
|
COCC[C@@H](CNC(=O)CNC(=O)CC1CCCC1)NC(=O)c1[nH]c(C)nc1C
|
COCC[C@@H]CNC=O)CNC=O)CCCCCC5))))))))))))NC=O)c[nH]cC)nc5C
|
[C][O][C][C][C@@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Branch1][N][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C]
|
c19[nH]c(C)nc1C.C5C[C@H]6C7.C1%10CCCC1.C2(=O)C8.C3(=O)C%10.C49=O.CO5.N27.N38.N46
|
CC(F)(F)CC(=O)N1CC(O)([C@@H](F)C(=O)N2CC[C@H]2C2CCCC2)C1
|
CCF)F)CC=O)NCCO)[C@@H]F)C=O)NCC[C@H]4CCCCC5)))))))))))C4
|
[C][C][Branch1][C][F][Branch1][C][F][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch2][Ring1][=Branch1][C@@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C][C@H1][Ring1][Ring2][C][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][C]
|
CC(F)(F)CC3=O.N13CC5(O)C1.[C@H]5(F)C4=O.N14CC[C@H]16.C16CCCC1
|
COCC(C)(C)C(=O)NC[C@H]1CCCN1C(=O)c1ccn(C)n1
|
COCCC)C)C=O)NC[C@H]CCCN5C=O)cccnC)n5
|
[C][O][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1]
|
C4C(C)(C)C2=O.[C@H]17CCCN13.c16ccn(C)n1.C36=O.CO4.N25.C57
|
O=C(N[C@]1(CF)CCN(C(=O)c2ccc3nccn3n2)C1)C(F)=Cc1c[nH]cn1
|
O=CN[C@]CF))CCNC=O)ccccnccn5n9))))))))))C5))))))CF)=Ccc[nH]cn5
|
[O][=C][Branch2][Ring2][C][N][C@][Branch1][Ring1][C][F][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][=N][C][=C][N][Ring1][Branch1][N][=Ring1][=Branch2][C][Ring2][Ring1][C][C][Branch1][C][F][=C][C][=C][NH1][C][=N][Ring1][Branch1]
|
c17ccc2nccn2n1.[C@@]169CCN5C1.C=8c1c[nH]cn1.O=C4C=8F.C57=O.N46.C9F
|
CC(C)N(CCN(C)C(=O)c1cccc(N2CCOCC2)n1)C(=O)C[C@@H](C)CF
|
CCC)NCCNC)C=O)cccccNCCOCC6))))))n6))))))))))C=O)C[C@@H]C)CF
|
[C][C][Branch1][C][C][N][Branch2][Ring1][=N][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][F]
|
c19cccc8n1.C4(=O)C[C@@H](C)CF.N18CCOCC1.CC5C.N456.C6C7.N37C.C39=O
|
CCCCCCNC(=O)[C@H]([C@@H](C)[C@H]1CCCOC1)N(C)Cc1cnn(C)c1
|
CCCCCCNC=O)[C@H][C@@H]C)[C@H]CCCOC6)))))))NC)CccnnC)c5
|
[C][C][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C@@H1][Branch1][C][C][C@H1][C][C][C][O][C][Ring1][=Branch1][N][Branch1][C][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1]
|
C2(=O)[C@@H]4[C@H]6C.CCCCCC3.[C@H]16CCCOC1.c17cnn(C)c1.N45C.N23.C57
|
CC[C@@H](CNC(=O)c1n[nH]cc1Cl)NC(=O)C1(C)CCCCC1
|
CC[C@@H]CNC=O)cn[nH]cc5Cl)))))))))NC=O)CC)CCCCC6
|
[C][C][C@@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][Cl][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][C][C][Ring1][#Branch1]
|
C17(C)CCCCC1.c16n[nH]cc1Cl.CC[C@H]4C5.C26=O.C37=O.N25.N34
|
CCc1ccccc1CC(=O)N1CCC[C@](C)(NC(=O)CN=S(C)(C)=O)C1
|
CCcccccc6CC=O)NCCC[C@]C)NC=O)CN=SC)C)=O))))))C6
|
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][C@][Branch1][C][C][Branch1][S][N][C][=Branch1][C][=O][C][N][=S][Branch1][C][C][Branch1][C][C][=O][C][Ring1][S]
|
N12CCC[C@@]4(C)C1.C3(=O)CN=S(C)(C)=O.c15ccccc16.C6C2=O.CC5.N34
|
Cc1cnc(NC(=O)[C@H]2C[C@H]2NCc2ccc(S(C)(=O)=O)cc2F)cc1F
|
CccncNC=O)[C@H]C[C@H]3NCccccSC)=O)=O))cc6F))))))))))))))cc6F
|
[C][C][=C][N][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@H1][C][C@H1][Ring1][Ring1][N][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][F][C][=C][Ring2][Ring1][=Branch2][F]
|
c18ccc(S(C)(=O)=O)cc1F.Cc1cnc5cc1F.[C@H]17C[C@H]16.C37=O.N35.N46.C48
|
CCc1nc(-c2ccccc2)[nH]c1C(=O)NCCNC(=O)C1CC(S(C)(=O)=O)C1
|
CCcnc-cccccc6))))))[nH]c5C=O)NCCNC=O)CCCSC)=O)=O))C4
|
[C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][Branch2]
|
C18CC(S(C)(=O)=O)C1.c19nc%10[nH]c17.c1%10ccccc1.C37=O.C5C6.C48=O.CC9.N35.N46
|
O=C1C[C@H](CNC(=O)[C@@H]2CC[C@@H](n3cc(CN4CCCC4)nn3)C2)CO1
|
O=CC[C@H]CNC=O)[C@@H]CC[C@@H]nccCNCCCC5))))))nn5)))))C5))))))))CO5
|
[O][=C][C][C@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C@@H1][Branch2][Ring1][C][N][C][=C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][N][=N][Ring1][O][C][Ring1][S][C][O][Ring2][Ring1][=Branch2]
|
O=C1C[C@H]%10CO1.[C@@H]18CC[C@@H]%11C1.n1%11cc9nn1.N17CCCC1.C58=O.C6%10.N56.C79
|
Cc1ccn(CC(=O)NC[C@H](F)CNC(=O)C(C)(C)c2cc[nH]n2)c(=O)c1
|
CcccnCC=O)NC[C@H]F)CNC=O)CC)C)ccc[nH]n5))))))))))))))c=O)c6
|
[C][C][C][=C][N][Branch2][Ring1][S][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][F][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][NH1][N][=Ring1][Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][#Branch2]
|
Cc1ccn7c(=O)c1.C4(=O)C8(C)C.C5[C@H](F)C6.c18cc[nH]n1.C7C3=O.N35.N46
|
N#Cc1c[nH]c(C(=O)N[C@@H]2CC[C@H]3C[C@H]2CN3C(=O)c2ccc(Cl)c(Cl)c2N)c1
|
N#Ccc[nH]cC=O)N[C@@H]CC[C@H]C[C@H]6CN5C=O)ccccCl)cCl)c6N))))))))))))))))))c5
|
[N][#C][C][=C][NH1][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][C][C@H1][Ring1][=Branch1][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][=C][Ring2][Ring1][O]
|
[C@@H]16CC[C@H]2C[C@H]1CN25.c18ccc(Cl)c(Cl)c1N.N#Cc1c[nH]c7c1.C47=O.C58=O.N46
|
O=C(c1ccc(I)cc1Cl)N1CCN(S(=O)(=O)c2ccncc2)CC1
|
O=CccccI)cc6Cl)))))))NCCNS=O)=O)cccncc6)))))))CC6
|
[O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][Cl][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][#C]
|
S4(=O)(=O)c1ccncc1.c15ccc(I)cc1Cl.N13CCN4CC1.O=C35
|
C[C@H](CNC(=O)c1cc2c(O)ncnc2cn1)n1cc([C@@H](O)C2CC2)nn1
|
C[C@H]CNC=O)ccccO)ncnc6cn%10)))))))))))))ncc[C@@H]O)CCC3))))nn5
|
[C][C@H1][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][N][=C][N][=C][Ring1][#Branch1][C][=N][Ring1][O][N][C][=C][Branch1][#Branch2][C@@H1][Branch1][C][O][C][C][C][Ring1][Ring1][N][=N][Ring1][#Branch2]
|
c15cc2c(O)ncnc2cn1.n16cc7nn1.C[C@@H]6C4.C35=O.[C@@H]78O.C18CC1.N34
|
CSC(C)(C)C(=O)N(C)C[C@H](C)NC(=O)[C@H]1CCC(F)(F)[C@@H]1O
|
CSCC)C)C=O)NC)C[C@H]C)NC=O)[C@H]CCCF)F)[C@@H]5O
|
[C][S][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][Branch1][C][F][Branch1][C][F][C@@H1][Ring1][#Branch1][O]
|
[C@H]17CCC(F)(F)[C@@H]1O.C6(C)(C)C2=O.C4[C@@H]5C.N24C.C37=O.CS6.N35
|
C=CCCC(=O)N[C@H](CO)CNC(=O)c1cccc(C)c1N
|
C=CCCC=O)N[C@H]CO))CNC=O)cccccC)c6N
|
[C][=C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N]
|
c16cccc(C)c1N.C=CCCC2=O.[C@H]4(C5)CO.C36=O.N24.N35
|
CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2NCc2cc(Br)cc(C(=O)OC)c2)c1
|
CNC=O)cccccNC=O)[C@@H]C[C@@H]3NCcccBr)ccC=O)OC)))c6)))))))))))))c6
|
[C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Ring1][Ring1][N][C][C][=C][C][Branch1][C][Br][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][O][=C][Ring2][Ring1][=Branch2]
|
c14cc%12cc(Br)c1.c1%11cccc8c1.[C@@H]1%10C[C@@H]19.C5%11=O.C6%10=O.C3%12=O.CN5.N68.N79.C74.O3C
|
C[C@H](CCC(=O)NCCC[C@H]1CCCN1c1nccc(S(C)(=O)=O)n1)N(C)C
|
C[C@H]CCC=O)NCCC[C@H]CCCN5cncccSC)=O)=O))n6))))))))))))))))))NC)C
|
[C][C@H1][Branch2][Ring2][Ring2][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][C][C][C][N][Ring1][Branch1][C][=N][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=N][Ring1][#Branch2][N][Branch1][C][C][C]
|
c15nccc(S(C)(=O)=O)n1.C[C@@H]3CCC2=O.[C@H]16CCCN15.C4CC6.N3(C)C.N24
|
Cn1cnc(C(=O)N2CC[C@@H]3C[C@@]3(C(=O)NC3(C)CC(C)(C)C3)CC2)c1
|
CncncC=O)NCC[C@@H]C[C@@]3C=O)NCC)CCC)C)C4))))))CC8)))))))))c5
|
[C][N][C][=N][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][C@@H1][C][C@@][Ring1][Ring1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch2]
|
N14CC[C@@H]2C[C@@]28CC1.C16(C)CC(C)(C)C1.Cn1cnc7c1.C47=O.C58=O.N56
|
COC(=O)[C@@H]1N(C(=O)[C@@H]2CC(C)(C)CCN2C(=O)c2cncc(F)c2)CC1(C)C
|
COC=O)[C@@H]NC=O)[C@@H]CCC)C)CCN6C=O)ccnccF)c6))))))))))))))CC4C)C
|
[C][O][C][=Branch1][C][=O][C@@H1][N][Branch2][Ring2][C][C][=Branch1][C][=O][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1][Branch1][C][C][C]
|
[C@@H]17CC(C)(C)CCN15.[C@@H]16N4CC1(C)C.c18cncc(F)c1.C36=O.C47=O.C58=O.CO3
|
O=C(NCCNC(=O)c1cc(C(F)(F)F)ns1)c1coc(C(F)F)c1
|
O=CNCCNC=O)cccCF)F)F))ns5))))))))))ccocCF)F))c5
|
[O][=C][Branch2][Ring1][#Branch2][N][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][S][Ring1][=Branch2][C][=C][O][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][Ring1][Branch2]
|
c16cc8ns1.c17coc9c1.C8(F)(F)F.O=C27.C4C5.C36=O.C9(F)F.N24.N35
|
CC1(C)C[C@@H](NC(=O)CCN(CC2CC2)C(=O)[C@H]2CN3CCC2CC3)C12CCC2
|
CCC)C[C@@H]NC=O)CCNCCCC3))))C=O)[C@H]CNCCC6CC6))))))))))))))C4CCC4
|
[C][C][Branch1][C][C][C][C@@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C@H1][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][Ring2][Ring1][=Branch2][C][C][C][Ring1][Ring2]
|
CC1(C)C[C@@H]8C12CCC2.[C@H]19CN2CCC1CC2.C4(=O)CC6.N567.C1%10CC1.C59=O.N48.C7%10
|
CSC[C@](C)(NC(=O)c1ccnn1CCF)C(=O)NC(C)(C)CF
|
CSC[C@]C)NC=O)cccnn5CCF))))))))))C=O)NCC)C)CF
|
[C][S][C][C@][Branch1][C][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][F][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][F]
|
C6[C@@]4(C)C3=O.c17ccnn18.C5(C)(C)CF.C27=O.C8CF.CS6.N24.N35
|
O=C(N[C@@H](CO)CC1OCCO1)c1ccc(CCc2ccccc2)[nH]1
|
O=CN[C@@H]CO))CCOCCO5))))))))ccccCCcccccc6))))))))[nH]5
|
[O][=C][Branch1][#C][N][C@@H1][Branch1][Ring1][C][O][C][C][O][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=N]
|
c15ccc7[nH]1.c18ccccc1.[C@@H]4(C6)CO.C16OCCO1.O=C35.C7C8.N34
|
COC(=O)CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3CCN(CCn4ccnc4)C[C@H]32)C1
|
COC=O)CC[C@H]CCCNC=O)[C@@H]C[C@H]CCNCCnccnc5)))))))C[C@H]68)))))))))C6
|
[C][O][C][=Branch1][C][=O][C][C][C@H1][C][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C@@H1][C][C@H1][C][C][N][Branch1][#Branch2][C][C][N][C][=C][N][=C][Ring1][Branch1][C][C@H1][Ring1][=N][Ring1][#C][C][Ring2][Ring1][#Branch1]
|
[C@@H]18C[C@H]2CCN7C[C@H]21.[C@H]1%10CCCN6C1.C5(=O)CC%10.n19ccnc1.C68=O.C7C9.CO5
|
CC(=O)CC(C)(C)CC(=O)N1CC2(CCC[C@H]2NC(=O)Cc2sc(S)nc2C)C1
|
CC=O)CCC)C)CC=O)NCCCCC[C@H]5NC=O)CcscS)nc5C)))))))))))))C4
|
[C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Branch2][C][C][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][S][C][Branch1][C][S][=N][C][=Ring1][=Branch1][C][C][Ring2][Ring1][Ring1]
|
CC(=O)CC(C)(C)CC3=O.N13CC2(CCC[C@H]25)C1.c16sc(S)nc1C.C4(=O)C6.N45
|
CCN(CCCCO)C(=O)C[C@]12CC[C@@H]1CN(C(=O)CCC[C@@H]1C[C@@H]1C)C2
|
CCNCCCCO)))))C=O)C[C@]CC[C@@H]4CNC=O)CCC[C@@H]C[C@@H]3C))))))))C7
|
[C][C][N][Branch1][=Branch1][C][C][C][C][O][C][=Branch1][C][=O][C][C@][C][C][C@@H1][Ring1][Ring2][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C@@H1][C][C@@H1][Ring1][Ring1][C][C][Ring1][S]
|
[C@]127CC[C@@H]1CN4C2.C4(=O)CCC8.C6CCCO.C3(=O)C7.[C@@H]18C[C@@H]1C.N356.CC5
|
Cc1nccn1CCC(=O)NC1(CCCNC(=O)[C@H](C)NC(N)=O)CC1
|
Ccnccn5CCC=O)NCCCCNC=O)[C@H]C)NCN)=O)))))))))CC3
|
[C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][Branch1][C][N][=O][C][C][Ring1][#C]
|
Cc1nccn18.C8CC2=O.C3(=O)[C@@H]7C.C159CC1.C9CC6.C4(N)=O.N25.N36.N47
|
CCN1CCO[C@H](C(=O)N(C)[C@H]2CCCCN(C(=O)c3cncc(NC)n3)C2)C1
|
CCNCCO[C@H]C=O)NC)[C@H]CCCCNC=O)ccnccNC))n6)))))))C7)))))))))C6
|
[C][C][N][C][C][O][C@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][Ring1][N][C][=N][Ring1][Branch2][C][Ring1][P][C][Ring2][Ring1][O]
|
[C@H]18CCCCN5C1.N16CCO[C@H]9C1.c1%10cncc7n1.C49=O.N48C.C5%10=O.CC6.N7C
|
COc1ccc(C(=O)NC2(CC(=O)NCCC3CCOCC3)CCC2)c(Br)c1
|
COccccC=O)NCCC=O)NCCCCCOCC6)))))))))))CCC4))))))cBr)c6
|
[C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][S][C][Branch1][C][Br][=C][Ring2][Ring1][#Branch2]
|
c16ccc9c(Br)c1.C1%11CCOCC1.C17%10CCC1.C%10C5=O.C49=O.C8C%11.CO6.N47.N58
|
CCC[C@H](CNC(=O)[C@H]1CCCN1CCC)C(=O)NCCn1cncn1
|
CCC[C@H]CNC=O)[C@H]CCCN5CCC)))))))))))C=O)NCCncncn5
|
[C][C][C][C@H1][Branch1][P][C][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=N][C][=N][Ring1][Branch1]
|
CCC[C@H](C4)C3=O.[C@H]17CCCN15.n18cncn1.C27=O.C5CC.C6C8.N24.N36
|
CO[C@@H](CO)C(=O)N1C[C@H]2CN(C(=O)[C@H]3C=CCS3)CC[C@H]21
|
CO[C@@H]CO))C=O)NC[C@H]CNC=O)[C@H]C=CCS5))))))CC[C@H]68
|
[C][O][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch1][N][C][=Branch1][C][=O][C@H1][C][=C][C][S][Ring1][Branch1][C][C][C@H1][Ring1][=N][Ring1][#C]
|
N14C[C@H]2CN5CC[C@H]21.[C@H]6(CO)C4=O.[C@H]17C=CCS1.C57=O.CO6
|
C[C@@H](C(=O)N1CCN(C(=O)C2(c3ccnc(Cl)c3)CC2)CC1)n1cnc(C#N)n1
|
C[C@@H]C=O)NCCNC=O)CcccncCl)c6))))))CC3))))CC6)))))))ncncC#N))n5
|
[C][C@@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][#Branch2][C][C][Ring2][Ring1][C][N][C][=N][C][Branch1][Ring1][C][#N][=N][Ring1][#Branch1]
|
N14CCN5CC1.c18ccnc(Cl)c1.n17cnc(C#N)n1.C[C@H]7C4=O.C168CC1.C56=O
|
CC(C)n1cccc1C(=O)NC[C@H]1C[C@H]1NC(=O)C(C)(C)c1cncnc1
|
CCC)ncccc5C=O)NC[C@H]C[C@H]3NC=O)CC)C)ccncnc6
|
[C][C][Branch1][C][C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][N][=C][N][=C][Ring1][=Branch1]
|
n17cccc16.C3(=O)C9(C)C.c19cncnc1.[C@H]18C[C@H]15.CC7C.C26=O.N24.C48.N35
|
CC[C@]1(C(=O)N2CCCC[C@H](NC(=O)c3ncnc4c(C)csc34)C2)CC1(F)F
|
CC[C@]C=O)NCCCC[C@H]NC=O)cncnccC)csc95)))))))))))C7))))))))CC3F)F
|
[C][C][C@][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][C][=N][C][C][Branch1][C][C][=C][S][C][Ring1][#Branch2][=Ring1][=Branch1][C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][=Branch2][Branch1][C][F][F]
|
c18ncnc2c(C)csc12.N15CCCC[C@H]7C1.[C@]19%10CC1(F)F.C59=O.C68=O.CC%10.N67
|
O=C(Cc1cc(Cl)cc2c1OCC2)N1C[C@@H]2C[C@]2(CNC(=O)C2(F)CC2)C1
|
O=CCcccCl)ccc6OCC5))))))))))NC[C@@H]C[C@]3CNC=O)CF)CC3))))))C6
|
[O][=C][Branch2][Ring1][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][Ring1][Branch1][N][C][C@@H1][C][C@][Ring1][Ring1][Branch1][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][F][C][C][Ring1][Ring2][C][Ring1][=C]
|
c18cc(Cl)cc2c1OCC2.N13C[C@@H]2C[C@]27C1.O=C3C8.C16(F)CC1.C46=O.C57.N45
|
CCCC[C@H](NC(N)=O)C(=O)N1CC[C@@H]2CCN(C(=O)C#CC(=O)N(C)C)C[C@@H]21
|
CCCC[C@H]NCN)=O)))C=O)NCC[C@@H]CCNC=O)C#CC=O)NC)C))))))C[C@@H]69
|
[C][C][C][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][C@@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][#C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C@@H1][Ring1][#C][Ring2][Ring1][C]
|
N14CC[C@@H]2CCN5C[C@@H]21.CCCC[C@H]7C4=O.C5(=O)C#CC6=O.C3(N)=O.N6(C)C.N37
|
CC/C=C(\C)C(=O)N(C)CC(C)(C)NC(=O)c1ccn(-c2cccc(OC)c2)n1
|
CC/C=C\C)C=O)NC)CCC)C)NC=O)cccn-cccccOC))c6))))))n5
|
[C][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][=Ring1][=N]
|
c1%10cccc5c1.c18ccn%10n1.C=9(C)C3=O.C6C7(C)C.CCC=9.N36C.C48=O.N47.O5C
|
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](NC(=O)c2cc(C)oc2CC)[C@H](CO)C1
|
C=CCl)CC)C)C=O)NCC[C@@H]NC=O)cccC)oc5CC)))))))))[C@H]CO))C6
|
[C][=C][Branch1][C][Cl][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][C@H1][Branch1][Ring1][C][O][C][Ring2][Ring1][Ring1]
|
C=C(Cl)C(C)(C)C3=O.N13CC[C@@H]5[C@H]8C1.c16cc(C)oc17.C46=O.N45.C7C.C8O
|
CCCn1nnnc1[C@@H](NCC(C)(C)CC(F)(F)F)c1nccc(Cl)c1C
|
CCCnnnnc5[C@@H]NCCC)C)CCF)F)F))))))cncccCl)c6C
|
[C][C][C][N][N][=N][N][=C][Ring1][Branch1][C@@H1][Branch2][Ring1][Ring1][N][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=N][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C]
|
C3C(C)(C)CC(F)(F)F.c16nccc(Cl)c1C.n14nnnc15.CCC4.[C@@H]256.N23
|
CC(=O)N1CCN(C)C[C@H]1CNC(=O)COc1ccsc1Cl
|
CC=O)NCCNC)C[C@H]6CNC=O)COcccsc5Cl
|
[C][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C@H1][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][O][C][C][=C][S][C][=Ring1][Branch1][Cl]
|
N12CCN(C)C[C@H]17.c15ccsc1Cl.C3(=O)C4.CC2=O.C67.N36.O45
|
O=C(CCn1ccc2ccccc21)N1C[C@H](F)[C@H](NS(=O)(=O)C2CCCCC2)C1
|
O=CCCncccccccc69)))))))))))NC[C@H]F)[C@H]NS=O)=O)CCCCCC6))))))))C5
|
[O][=C][Branch1][S][C][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][C@H1][Branch1][C][F][C@H1][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][S]
|
n16ccc2ccccc21.S4(=O)(=O)C1CCCCC1.N13C[C@@H]5[C@@H](F)C1.O=C3CC6.N45
|
C[C@H](O)C(F)(F)C(=O)N1CCCN(C(=O)c2cc(CO)[nH]n2)CC1
|
C[C@H]O)CF)F)C=O)NCCCNC=O)cccCO))[nH]n5))))))CC7
|
[C][C@H1][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][Branch1][Ring1][C][O][NH1][N][=Ring1][#Branch1][C][C][Ring1][S]
|
C[C@H](O)C(F)(F)C3=O.N13CCCN4CC1.c15cc6[nH]n1.C45=O.C6O
|
C[C@H](CN(C)C(=O)CCn1ccnc1)NC(=O)c1cc([N+](=O)[O-])cn1C
|
C[C@H]CNC)C=O)CCnccnc5))))))))))NC=O)ccc[N+]=O)[O-]))cn5C
|
[C][C@H1][Branch2][Ring1][Ring1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][N][C][=C][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][N][Ring1][Branch2][C]
|
c16cc([N+](=O)[O-])cn1C.C2(=O)CC7.n17ccnc1.C[C@@H]4C5.N25C.C36=O.N34
|
C[C@@H](CNC(=NCCC(=O)N(C)C)N1CC[C@H](CC2CC2)C1)c1ccc(F)cc1
|
C[C@@H]CNC=NCCC=O)NC)C))))))NCC[C@H]CCCC3))))C5))))))))ccccF)cc6
|
[C][C@@H1][Branch2][Ring1][P][C][N][C][=Branch1][=N][=N][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][N][C][C][C@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
N4C(=NCCC3=O)N1CC[C@H]5C1.c17ccc(F)cc1.C[C@H]7C4.N3(C)C.C16CC1.C56
|
C#CC(C)(C)C(=O)N(CCNC(=O)c1ccc(Cl)nc1Cl)CCOC
|
C#CCC)C)C=O)NCCNC=O)ccccCl)nc6Cl)))))))))))CCOC
|
[C][#C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][Cl][C][C][O][C]
|
c18ccc(Cl)nc1Cl.C#CC(C)(C)C2=O.N257.C5C6.C38=O.C7C4.N36.O4C
|
Cc1nc(C(=O)NC[C@H](O)CN(C)C(=O)c2c[nH]c3c(F)cccc23)cs1
|
CcncC=O)NC[C@H]O)CNC)C=O)cc[nH]ccF)cccc96))))))))))))))))cs5
|
[C][C][=N][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][NH1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][=C][S][Ring2][Ring1][#Branch2]
|
c19c[nH]c2c(F)cccc12.Cc1nc8cs1.C6[C@H](O)C7.C48=O.N57C.C59=O.N46
|
O=C(CN1CCC[C@H](NC(=O)c2ccnc(OC3CCC3)c2)C1)Nc1nccs1
|
O=CCNCCC[C@H]NC=O)cccncOCCCC4)))))c6))))))))C6)))))))Ncnccs5
|
[O][=C][Branch2][Ring2][Ring2][C][N][C][C][C][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring2][=C][Ring1][O][C][Ring2][Ring1][Ring2][N][C][=N][C][=C][S][Ring1][Branch1]
|
N18CCC[C@H]%10C1.c1%11ccnc6c1.c19nccs1.O=C4C8.C17CCC1.C5%11=O.N5%10.O67.N49
|
CCC(=O)NC[C@@H]1CCCC12CCN(C(=O)c1ccc(N=NC(N)=O)cc1)CC2
|
CCC=O)NC[C@@H]CCCC5CCNC=O)ccccN=NCN)=O))))cc6)))))))CC6
|
[C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C][Ring1][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][=N][C][Branch1][C][N][=O][C][=C][Ring1][O][C][C][Ring2][Ring1][Ring1]
|
[C@@H]17CCCC12CCN4CC2.c16ccc(N=NC(N)=O)cc1.CCC3=O.C46=O.N35.C57
|
C=C[C@H](O)C(=O)N(C)C[C@@]1(O)CCN(C(=O)c2coc3c2COC3)C1
|
C=C[C@H]O)C=O)NC)C[C@@]O)CCNC=O)ccocc5COC5)))))))))C5
|
[C][=C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@][Branch1][C][O][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][O][C][=C][Ring1][Branch1][C][O][C][Ring1][Branch1][C][Ring1][S]
|
c17coc2c1COC2.[C@]18(O)CCN5C1.C=C[C@H](O)C4=O.N46C.C57=O.C68
|
Cc1cc(C#N)nc(N2C[C@H](F)C[C@H]2C(=O)N[C@@H](CO)c2cc(Cl)cc(Cl)c2)n1
|
CcccC#N))ncNC[C@H]F)C[C@H]5C=O)N[C@@H]CO))cccCl)ccCl)c6))))))))))))))n6
|
[C][C][=C][C][Branch1][Ring1][C][#N][=N][C][Branch2][Ring2][Ring1][N][C][C@H1][Branch1][C][F][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring2][Ring1][N]
|
Cc1cc(C#N)nc5n1.c17cc(Cl)cc(Cl)c1.N15C[C@H](F)C[C@H]16.[C@@H]47CO.C36=O.N34
|
Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3coc(Cl)n3)C2)ccc2cncn12
|
CccC=O)NC[C@@H]O)[C@H]NC=O)ccocCl)n5)))))))C5))))))ccccncn95
|
[C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][=C][O][C][Branch1][C][Cl][=N][Ring1][=Branch1][C][Ring1][#C][C][=C][C][=C][N][=C][N][Ring2][Ring1][#Branch2][Ring1][Branch1]
|
Cc1c8ccc2cncn12.N14C[C@@H]6[C@H](O)C1.c17coc(Cl)n1.C48=O.C57=O.N56
|
C#CCCCCCNC(=O)C[C@H](CNC(=O)CCc1cccnc1)C1CCC1
|
C#CCCCCCNC=O)C[C@H]CNC=O)CCccccnc6)))))))))))CCCC4
|
[C][#C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][Ring1][Ring2]
|
C#CCCCCC4.C2(=O)C[C@@H]6C5.c17cccnc1.C3(=O)CC7.C16CCC1.N24.N35
|
CCO[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)CCC(C)(C)C(=O)OC)C1)C1CCC1
|
CCO[C@H]C=O)N[C@H]C[C@H]CNC=O)CCCC)C)C=O)OC)))))))))C4))))))CCCC4
|
[C][C][O][C@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][Ring1][P][C][C][C][C][Ring1][Ring2]
|
C4(=O)CCC(C)(C)C2=O.[C@H]69C3=O.[C@H]18C[C@H]%10C1.C19CCC1.CC5.O56.N38.C7%10.N47.O2C
|
O=C1CN(C(=O)[C@@H]2C[C@@H]2F)[C@H]2CCN(C(=O)c3cnc4ncnn4c3O)C[C@H]2N1
|
O=CCNC=O)[C@@H]C[C@@H]3F)))))[C@H]CCNC=O)ccncncnn5c9O)))))))))))C[C@H]6N%10
|
[O][=C][C][N][Branch1][O][C][=Branch1][C][=O][C@@H1][C][C@@H1][Ring1][Ring1][F][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=N][C][=N][C][=N][N][Ring1][Branch1][C][=Ring1][=Branch2][O][C][C@H1][Ring2][Ring1][C][N][Ring2][Ring1][N]
|
O=C1CN5[C@H]2CCN6C[C@H]2N1.c18cnc2ncnn2c1O.[C@@H]17C[C@@H]1F.C57=O.C68=O
|
C[C@H]1CCC[C@H](C)N1CCC(=O)N[C@H]1C[C@@](C)(NC(=O)c2ncc(Cl)cc2F)C1
|
C[C@H]CCC[C@H]C)N6CCC=O)N[C@H]C[C@@]C)NC=O)cnccCl)cc6F)))))))))C4
|
[C][C@H1][C][C][C][C@H1][Branch1][C][C][N][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C@@][Branch1][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][C][Ring1][S]
|
C[C@H]1CCC[C@H](C)N15.c18ncc(Cl)cc1F.[C@H]17C[C@]6(C)C1.C5CC3=O.C48=O.N37.N46
|
CCCC(C)(C)CC(=O)N1CCN(CC2(NC(=O)[C@@H](F)C(=O)OCC)CC2)CC1
|
CCCCC)C)CC=O)NCCNCCNC=O)[C@@H]F)C=O)OCC)))))))CC3))))CC6
|
[C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch2][C][C][Branch1][P][N][C][=Branch1][C][=O][C@@H1][Branch1][C][F][C][=Branch1][C][=O][O][C][C][C][C][Ring1][=N][C][C][Ring2][Ring1][Ring2]
|
CCCC(C)(C)CC4=O.N14CCN7CC1.C5(=O)[C@@H](F)C3=O.C189CC1.C79.N58.O36.C6C
|
C#CC1(C(=O)NCCC(=O)N2CCCC2)CN(C(=O)[C@@H]2C[C@@]23CCOC3)C1
|
C#CCC=O)NCCC=O)NCCCC5))))))))))CNC=O)[C@@H]C[C@@]3CCOC5))))))))C4
|
[C][#C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C][C@@][Ring1][Ring1][C][C][O][C][Ring1][Branch1][C][Ring2][Ring1][=Branch2]
|
C#CC18CN6C1.[C@@H]19C[C@@]12CCOC2.C7CC5=O.N15CCCC1.C48=O.C69=O.N47
|
CC(=O)c1ncc(C(=O)N2C[C@@H](CCNC(=O)C3(C(C)(C)C)CCC3)[C@H](C)C2)s1
|
CC=O)cnccC=O)NC[C@@H]CCNC=O)CCC)C)C))CCC4))))))))[C@H]C)C5))))))s5
|
[C][C][=Branch1][C][=O][C][=N][C][=C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][Branch2][C@H1][Branch1][C][C][C][Ring2][Ring1][Ring1][S][Ring2][Ring1][#Branch2]
|
N14C[C@@H]%10[C@H](C)C1.c17ncc8s1.C19%11CCC1.C%11(C)(C)C.CC7=O.C48=O.C%10C6.C59=O.N56
|
COCC[C@H](CNC(=O)c1c[nH]c2nccc-2c1)NC(=O)CC(C)(C)CCOC
|
COCC[C@H]CNC=O)cc[nH]cnccc-5c9))))))))))))NC=O)CCC)C)CCOC
|
[C][O][C][C][C@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=N][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][O][C]
|
c19c[nH]c2nccc-2c1.C4(=O)CC(C)(C)CC6.C5C[C@@H]7C8.C39=O.CO5.N38.N47.O6C
|
COCCO[C@H](C)C(=O)N1CC2(CO[C@@H](CNC(=O)Cn3cnccc3=O)C2)C1
|
COCCO[C@H]C)C=O)NCCCO[C@@H]CNC=O)Cncnccc6=O)))))))))))C5))))C4
|
[C][O][C][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch2][C][O][C@@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][Ring1][=Branch1][=O][C][Ring1][P][C][Ring2][Ring1][Ring2]
|
N14CC2(CO[C@@H]%11C2)C1.n1%10cnccc1=O.[C@@H]8(C)C4=O.C5(=O)C%10.C6C7.CO6.O78.C9%11.N59
|
Cc1nc(C2CCC2)oc1C(=O)N(C)CCOCCN(C)C(=O)C12CC(CO1)C2
|
CcncCCCC4))))oc5C=O)NC)CCOCCNC)C=O)CCCCO5))C4
|
[C][C][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][O][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][Branch1][Branch1][C][O][Ring1][Branch1][C][Ring1][=Branch1]
|
Cc1nc%11oc1%10.C129CC(CO1)C2.C1%11CCC1.C3%10=O.N37C.C7C5.C6C8.N48C.C49=O.O56
|
CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CC2(CC2)CN1C(=O)CN1[C@H](C)CC[C@@H]1C
|
CCS=O)=O)N[C@H]C)C=O)NC[C@H]CCCC3))CN5C=O)CN[C@H]C)CC[C@@H]5C
|
[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][Branch1][Branch1][C][C][Ring1][Ring1][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C@H1][Branch1][C][C][C][C][C@@H1][Ring1][=Branch1][C]
|
[C@H]19CC2(CC2)CN14.N17[C@H](C)CC[C@@H]1C.CCS8(=O)=O.[C@@H]5(C)C3=O.C4(=O)C7.N58.N36.C69
|
O=C(N[C@@H]1CN(C(=O)C2C=CC=CC=C2)C2(CCC2)C1)[C@@H]1C[C@@H]2COC[C@@H](C2)C1
|
O=CN[C@@H]CNC=O)CC=CC=CC=C7))))))))CCCC4)))C5))))))[C@@H]C[C@@H]COC[C@@H]C6)C8
|
[O][=C][Branch2][Ring1][#C][N][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][#Branch1][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][P][C@@H1][C][C@@H1][C][O][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2]
|
[C@@H]15CN4C2(CCC2)C1.[C@H]16C[C@H]2COC[C@@H](C1)C2.C17C=CC=CC=C1.O=C36.C47=O.N35
|
O=C(N[C@]12CC[C@H]1CN(C(=O)c1cccc(F)c1)C2)c1csnn1
|
O=CN[C@]CC[C@H]4CNC=O)cccccF)c6)))))))C7))))))))ccsnn5
|
[O][=C][Branch2][Ring1][=C][N][C@][C][C][C@H1][Ring1][Ring2][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][S][C][=C][S][N][=N][Ring1][Branch1]
|
[C@]125CC[C@H]1CN4C2.c17cccc(F)c1.c16csnn1.O=C36.C47=O.N35
|
CC1(NC(=O)CCc2nc(O)n[nH]2)CN(C(=O)C2CC(c3ccc(Br)cc3)C2)C1
|
CCNC=O)CCcncO)n[nH]5)))))))))CNC=O)CCCccccBr)cc6))))))C4)))))C4
|
[C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][=N][C][Branch1][C][O][=N][NH1][Ring1][=Branch1][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][O][C][Ring2][Ring1][N]
|
c19ccc(Br)cc1.CC16CN5C1.c18nc(O)n[nH]1.C4(=O)CC8.C17CC9C1.C57=O.N46
|
CCC[C@](C)(O)C(=O)N[C@H](C)CCCNC(=O)c1cc(N)cnc1C
|
CCC[C@]C)O)C=O)N[C@H]C)CCCNC=O)cccN)cnc6C
|
[C][C][C][C@][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][N][=C][Ring1][#Branch1][C]
|
CCC[C@](C)(O)C2=O.c16cc(N)cnc1C.[C@@H]4(C)CCC5.C36=O.N24.N35
|
CC(C)C[C@@H](C)CNC(=O)[C@H]1C=CCCN1C(=O)c1cnc(C(C)C)o1
|
CCC)C[C@@H]C)CNC=O)[C@H]C=CCCN6C=O)ccncCC)C))o5
|
[C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][C][=C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][O][Ring1][Branch2]
|
CC(C)C[C@@H](C)C4.[C@H]15C=CCCN13.c16cnc7o1.C25=O.C36=O.C7(C)C.N24
|
C=C1CC2(C1)CC(C(=O)N1C[C@@H](C)CC[C@@H]1CNC(=O)c1ccc(CCC)s1)C2
|
C=CCCC4)CCC=O)NC[C@@H]C)CC[C@@H]6CNC=O)ccccCCC)))s5)))))))))))))))C4
|
[C][=C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][C][C][C@@H1][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][C][C][C][S][Ring1][Branch2][C][Ring2][Ring1][#Branch2]
|
C=C1CC2(C1)CC7C2.N13C[C@@H](C)CC[C@@H]18.c16ccc9s1.C37=O.C46=O.C9CC.C58.N45
|
CC1(C)CCC[C@H]1C(=O)N1CC[C@@](CF)(NC(=O)C23CC(C2)C3)C1
|
CCC)CCC[C@H]5C=O)NCC[C@@]CF))NC=O)CCCC4)C4))))))C5
|
[C][C][Branch1][C][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C@@][Branch1][Ring1][C][F][Branch1][P][N][C][=Branch1][C][=O][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][Ring1][Branch1][C][Ring1][#C]
|
CC1(C)CCC[C@H]17.N14CC[C@]69C1.C128CC(C1)C2.C47=O.C58=O.C9F.N56
|
C#CCOC1CCN(C(=O)[C@@]2(CC)CCCN2C(=O)CSc2nc[nH]n2)CC1
|
C#CCOCCCNC=O)[C@@]CC))CCCN5C=O)CScnc[nH]n5))))))))))))))CC6
|
[C][#C][C][O][C][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C@@][Branch1][Ring1][C][C][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][N][=C][NH1][N][=Ring1][Branch1][C][C][Ring2][Ring1][Branch2]
|
C16CCN3CC1.[C@]189CCCN14.c1%10nc[nH]n1.C4(=O)C7.C#CC5.C38=O.O56.C9C.S7%10
|
O=C(N[C@H]1C[C@@H]2[C@H](C1)C2(F)F)[C@@H]1C[C@H](O)CCN1C(=O)/C=C/C(F)F
|
O=CN[C@H]C[C@@H][C@H]C5)C3F)F)))))))[C@@H]C[C@H]O)CCN6C=O)/C=C/CF)F
|
[O][=C][Branch2][Ring1][C][N][C@H1][C][C@@H1][C@H1][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][Ring2][Branch1][C][F][F][C@@H1][C][C@H1][Branch1][C][O][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][/C][=C][/C][Branch1][C][F][F]
|
[C@H]15C[C@@H]2[C@H](C1)C2(F)F.[C@@H]16C[C@H](O)CCN14.C4(=O)C=7.C=7C(F)F.O=C36.N35
|
C=CC[C@@H]1CCCC[C@@H]1N=c1[nH]c(=NCC23CCC(CC2)OC3)[nH]c2c1CCC2
|
C=CC[C@@H]CCCC[C@@H]6N=c[nH]c=NCCCCCCC6))OC6))))))))[nH]cc6CCC5
|
[C][=C][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][N][=C][NH1][C][=Branch1][P][=N][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][Ring1][Branch2][NH1][C][=C][Ring1][S][C][C][C][Ring1][Branch1]
|
[C@@H]14CCCC[C@@H]1N=c1[nH]c(=NC5)[nH]c2c1CCC2.C125CCC(CC1)OC2.C=CC4
|
CC(=CC(=O)N[C@@H]1CC[C@](F)(CNC(=O)CCC#N)C1)CN1CCOCC1
|
CC=CC=O)N[C@@H]CC[C@]F)CNC=O)CCC#N)))))))C5))))))))CNCCOCC6
|
[C][C][=Branch2][Ring1][=N][=C][C][=Branch1][C][=O][N][C@@H1][C][C][C@][Branch1][C][F][Branch1][O][C][N][C][=Branch1][C][=O][C][C][C][#N][C][Ring1][=C][C][N][C][C][O][C][C][Ring1][=Branch1]
|
[C@@H]16CC[C@@]8(F)C1.C3(=O)CCC#N.N15CCOCC1.CC=7C5.C=7C2=O.N26.C48.N34
|
CCCN(C(=O)c1cc(O)nc(C)n1)[C@@H]1CCN(C(=O)C[C@@H]2CCCS2(=O)=O)C1
|
CCCNC=O)cccO)ncC)n6)))))))[C@@H]CCNC=O)C[C@@H]CCCS5=O)=O))))))))C5
|
[C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=N][C][Branch1][C][C][=N][Ring1][Branch2][C@@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C@@H1][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][C][Ring1][#C]
|
c17cc(O)nc(C)n1.[C@@H]18CCCS1(=O)=O.[C@@H]16CCN4C1.C4(=O)C8.CCC5.N356.C37=O
|
COCC1(C(=O)N[C@@H]2CN(C(=O)C[C@H]3C[C@H](SC)C3)C3(CCCCCC3)C2)CC1
|
COCCC=O)N[C@@H]CNC=O)C[C@H]C[C@H]SC))C4))))))CCCCCCC7))))))C5)))))))CC3
|
[C][O][C][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][C@H1][C][C@H1][Branch1][Ring1][S][C][C][Ring1][=Branch1][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][#Branch1][C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][#Branch2]
|
[C@@H]17CN5C2(CCCCCC2)C1.[C@H]1%10C[C@H]%11C1.C189CC1.C5(=O)C%10.C48=O.CO6.C69.N47.S%11C
|
COC[C@@H](OC)C(=O)N1CCCC[C@@H](CCC(=O)Nc2cscc2C)C1
|
COC[C@@H]OC))C=O)NCCCC[C@@H]CCC=O)Nccscc5C))))))))))C7
|
[C][O][C][C@@H1][Branch1][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Branch1][S][C][C][C][=Branch1][C][=O][N][C][=C][S][C][=C][Ring1][Branch1][C][C][Ring2][Ring1][C]
|
N13CCCC[C@@H]8C1.C5[C@@H]6C3=O.c17cscc1C.C8CC4=O.CO5.O6C.N47
|
CN(C(=O)CNC(=O)N1CCCC1)[C@H]1CCCN(C(=O)C2(N=[N+]=[N-])CC2)C1
|
CNC=O)CNC=O)NCCCC5)))))))))[C@H]CCCNC=O)CN=[N+]=[N-])))CC3))))C6
|
[C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C@H1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][Branch1][Ring2][N][=N+1][=N-1][C][C][Ring1][=Branch1][C][Ring1][=C]
|
[C@H]18CCCN6C1.C19(N=[N+]=[N-])CC1.N15CCCC1.C3(=O)C7.CN38.C45=O.C69=O.N47
|
CC[C@H](C(=O)N1CC[C@H]1CNC(=O)CCc1cccs1)C(C)(C)CC
|
CC[C@H]C=O)NCC[C@H]4CNC=O)CCccccs5)))))))))))))))CC)C)CC
|
[C][C][C@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C@H1][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C]
|
CC[C@H](C2=O)C(C)(C)CC.N12CC[C@H]15.C3(=O)CC6.c16cccs1.C45.N34
|
CCc1c(C(=O)N2CCC(=O)N(CC(=O)O)CC2)n[nH]c1C
|
CCccC=O)NCCC=O)NCC=O)O)))CC7))))))))n[nH]c5C
|
[C][C][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Ring1][N][=N][NH1][C][=Ring2][Ring1][Ring1][C]
|
N13CCC(=O)N5CC1.c16c4n[nH]c1C.C5C(=O)O.C34=O.CC6
|
CC(C)c1ncc(C(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)C[C@H]2CC[C@@H](O)C2)s1
|
CCC)cnccC=O)N[C@@H]CCCC[C@@H]6CNC=O)C[C@H]CC[C@@H]O)C5)))))))))))))))))s5
|
[C][C][Branch1][C][C][C][=N][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C@H1][C][C][C@@H1][Branch1][C][O][C][Ring1][=Branch1][S][Ring2][Ring1][=Branch2]
|
[C@@H]16CCCC[C@@H]19.c18ncc7s1.[C@H]1%10CC[C@@H](O)C1.C4(=O)C%10.CC8C.C37=O.N36.C59.N45
|
Cc1nc(C)c(CC(=O)N[C@]23COCC[C@@H]2CN(C(=O)C=C2CCOCC2)C3)s1
|
CcncC)cCC=O)N[C@]COCC[C@@H]6CNC=O)C=CCCOCC6))))))))C9))))))))))))s5
|
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C@][C][O][C][C][C@@H1][Ring1][=Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][C][S][Ring2][Ring1][N]
|
[C@]126COCC[C@@H]1CN5C2.Cc1nc(C)c8s1.C1=7CCOCC1.C8C4=O.C5(=O)C=7.N46
|
COCc1ccsc1C(=O)N1C[C@H](CNC(=O)[C@H](F)C2CCC2)[C@H](O)C1
|
COCcccsc5C=O)NC[C@H]CNC=O)[C@H]F)CCCC4))))))))[C@H]O)C5
|
[C][O][C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][P][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][F][C][C][C][C][Ring1][Ring2][C@H1][Branch1][C][O][C][Ring1][S]
|
N13C[C@@H](O)[C@@H]8C1.c1%10ccsc17.C4(=O)[C@@H]9F.C19CCC1.C37=O.CO5.C5%10.C68.N46
|
C[C@@H](CN(C)C)C(=O)N1C[C@@H]2[C@H](C1)[C@H]2NC(=O)c1cn(-c2ccccc2)nn1
|
C[C@@H]CNC)C)))C=O)NC[C@@H][C@H]C5)[C@H]3NC=O)ccn-cccccc6))))))nn5
|
[C][C@@H1][Branch1][#Branch1][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][C@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O]
|
N13C[C@@H]2[C@@H]6[C@@H]2C1.C[C@@H](C5)C3=O.c17cn8nn1.c18ccccc1.N5(C)C.C47=O.N46
|
O=C(NCC1CC(O)(CNC(=O)C2CS(=O)(=O)C2)C1)c1cccn2cncc12
|
O=CNCCCCO)CNC=O)CCS=O)=O)C4)))))))C4))))))ccccncncc95
|
[O][=C][Branch2][Ring1][P][N][C][C][C][C][Branch1][C][O][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][=Branch1][C][Ring1][#C][C][=C][C][=C][N][C][=N][C][=C][Ring1][=Branch2][Ring1][Branch1]
|
c18cccn2cncc12.C19CC%10(O)C1.C17CS(=O)(=O)C1.O=C38.C47=O.N35.C59.C6%10.N46
|
CCC[C@H](O)C(=O)NC(C)(C)CCCC(=O)N[C@@H](CC)c1nn[nH]n1
|
CCC[C@H]O)C=O)NCC)C)CCCC=O)N[C@@H]CC))cnn[nH]n5
|
[C][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][C][C][N][=N][NH1][N][=Ring1][Branch1]
|
C4(C)(C)CCCC3=O.CCC[C@H](O)C2=O.c16nn[nH]n1.[C@@H]56CC.N24.N35
|
CN1CC[C@@H](CC(=O)N2CC=C[C@@H](NC(=O)c3ccc(-c4cccs4)o3)C2)C1=O
|
CNCC[C@@H]CC=O)NCC=C[C@@H]NC=O)cccc-ccccs5)))))o5)))))))C6))))))))C5=O
|
[C][N][C][C][C@@H1][Branch2][Ring2][#Branch1][C][C][=Branch1][C][=O][N][C][C][=C][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][O][=O]
|
CN1CC[C@@H]9C1=O.N15CC=C[C@@H]7C1.c18ccc%10o1.c1%10cccs1.C9C5=O.C68=O.N67
|
CC(C)(CC1CCOCC1)C(=O)N1CC[C@@](CO)(NC(=O)c2cnc(N)cn2)C1
|
CCC)CCCCOCC6)))))))C=O)NCC[C@@]CO))NC=O)ccncN)cn6))))))))C5
|
[C][C][Branch1][C][C][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C@@][Branch1][Ring1][C][O][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][N][C][=N][Ring1][#Branch1][C][Ring1][P]
|
CC(C)(C7)C3=O.N13CC[C@]58C1.c16cnc(N)cn1.C17CCOCC1.C46=O.C8O.N45
|
CCN(C(=O)CC1[C@H]2CC[C@H]1CN(Cc1cnn(CC)c1)C2)C1CCC1
|
CCNC=O)CC[C@H]CC[C@H]5CNCccnnCC))c5))))))C7))))))))))CCCC4
|
[C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C][C][C@H1][C][C][C@H1][Ring1][Branch1][C][N][Branch1][=N][C][C][C][=N][N][Branch1][Ring1][C][C][C][=Ring1][#Branch1][C][Ring1][#C][C][C][C][C][Ring1][Ring2]
|
C18[C@H]2CC[C@H]1CN5C2.c19cnn7c1.C3(=O)C8.C16CCC1.N346.CC4.C59.C7C
|
Cc1cc(C(=O)NC2CCN(C(=O)c3cnn4c3CCCC4)CC2)n(C)n1
|
CcccC=O)NCCCNC=O)ccnnc5CCCC6))))))))))CC6))))))))nC)n5
|
[C][C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=N][N][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][C][Ring1][P][N][Branch1][C][C][N][=Ring2][Ring1][#Branch2]
|
c19cnn2c1CCCC2.Cc1cc8n(C)n1.C17CCN6CC1.C58=O.C69=O.N57
|
COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3cncnc3)CC2)CCN1C
|
COC=O)[C@@H]CNC=O)[C@@H]CCCNC=O)ccncnc6)))))))CC7))))))))CCN6C
|
[C][O][C][=Branch1][C][=O][C@@H1][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1][C][C][Ring1][#C][C][C][N][Ring2][Ring1][#Branch1][C]
|
[C@@H]17CN5CCN1C.[C@@H]18CCCN6CC1.c19cncnc1.C47=O.C58=O.C69=O.CO4
|
CCn1cc(CNC(=O)[C@]23COC[C@H]2CN(C(=O)[C@@H](C)N(C)C)C3)c(C)n1
|
CCnccCNC=O)[C@]COC[C@H]5CNC=O)[C@@H]C)NC)C))))C8)))))))))))cC)n5
|
[C][C][N][C][=C][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C@][C][O][C][C@H1][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][Branch1][C][C][C][C][Ring1][#C][C][Branch1][C][C][=N][Ring2][Ring1][=Branch2]
|
[C@]128COC[C@H]1CN5C2.n19cc%10c(C)n1.C5(=O)[C@H]7C.C48=O.N7(C)C.CC9.C6%10.N46
|
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