SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
---|---|---|---|
CCC(CC)CC(=O)N1C[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2ccn(C)n2)CC1(C)C
|
CCCCC))CC=O)NC[C@@]C)CNC=O)[C@@H]C[C@H]3cccnC)n5)))))))))))CC5C)C
|
[C][C][C][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][C][C][Ring2][Ring1][Ring1][Branch1][C][C][C]
|
N13C[C@]7(C)CC1(C)C.CCC(CC)CC3=O.c18ccn(C)n1.[C@@H]16C[C@H]18.C46=O.C57.N45
|
COc1ccc([C@@H]2C[C@H]2C(=O)NC23CC(C2)N(C(=O)c2cnc(OC)s2)C3)cc1
|
COcccc[C@@H]C[C@H]3C=O)NCCCC4)NC=O)ccncOC))s5))))))C5))))))))))cc6
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C@@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][Ring1][Ring2][N][Branch1][S][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Ring1][O][C][S][Ring1][#Branch1][C][Ring1][#C][C][=C][Ring2][Ring1][O]
|
c17ccc%11cc1.C128CC(C1)N5C2.c19cnc6s1.[C@@H]1%11C[C@H]1%10.C4%10=O.C59=O.CO7.N48.O6C
|
COc1cc(C(=O)NCCCNC(=O)c2cc3c[nH]cnc-3n2)cc(F)c1C#N
|
COcccC=O)NCCCNC=O)cccc[nH]cnc-6n9))))))))))))))))ccF)c6C#N
|
[C][O][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][C][Branch1][C][F][=C][Ring2][Ring1][=Branch2][C][#N]
|
c16cc%10cc(F)c1C#N.c19cc2c[nH]cnc-2n1.C7CC8.C4%10=O.C59=O.CO6.N47.N58
|
CNS(=O)(=O)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)c2c(C)cccc2O)C1
|
CNS=O)=O)CC=O)N[C@H]C[C@@H]F)CNC=O)ccC)cccc6O))))))))C6
|
[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch1][C][F][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][O][C][Ring1][P]
|
[C@H]16C[C@@H](F)CN4C1.c17c(C)cccc1O.S5(=O)(=O)CC3=O.C47=O.CN5.N36
|
C[C@@H](CNC(=O)C1([C@H]2CCCO2)CC1)NC(=O)c1ccnc(-n2cccn2)c1
|
C[C@@H]CNC=O)C[C@H]CCCO5)))))CC3))))))NC=O)cccnc-ncccn5)))))c6
|
[C][C@@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C@H1][C][C][C][O][Ring1][Branch1][C][C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][Ring1][O]
|
c18ccnc9c1.[C@H]1%10CCCO1.n19cccn1.C[C@H]5C6.C17%10CC1.C37=O.C48=O.N36.N45
|
C[C@@H](CN(C)C(=O)C1(c2ccno2)CC1)N(C)C(=O)CO[C@H]1CCOC1
|
C[C@@H]CNC)C=O)Ccccno5)))))CC3))))))NC)C=O)CO[C@H]CCOC5
|
[C][C@@H1][Branch2][Ring1][Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][C][C][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C@H1][C][C][O][C][Ring1][Branch1]
|
c1%10ccno1.[C@H]16CCOC1.C[C@H]7C8.C19%10CC1.C4(=O)C5.N38C.C39=O.N47C.O56
|
COC(=O)C(C)(C)CC(=O)N1CCC(CCC(=O)NC[C@H]2C[C@@]23CC3(F)F)CC1
|
COC=O)CC)C)CC=O)NCCCCCC=O)NC[C@H]C[C@@]3CC3F)F)))))))))))CC6
|
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C@@][Ring1][Ring1][C][C][Ring1][Ring1][Branch1][C][F][F][C][C][Ring2][Ring1][Ring1]
|
C4(=O)C(C)(C)CC5=O.N15CCC8CC1.[C@H]19C[C@@]12CC2(F)F.C8CC6=O.CO4.N67.C79
|
CC(C)(C)C(=O)NCCC(=O)NC[C@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN2N=O)C1
|
CCC)C)C=O)NCCC=O)NC[C@H]CCC[C@@H]NC=O)[C@@H]CCCN5N=O)))))))))C6
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][N][=O][C][Ring1][S]
|
[C@H]1%10CCC[C@@H]8C1.[C@@H]19CCCN1N=O.CC(C)(C)C3=O.C6CC4=O.C59=O.N36.N47.C7%10.N58
|
CNC(=O)CCCCC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)C1=COCCC1
|
CNC=O)CCCCC=O)NCCC[C@@H]C)[C@H]6CNC=O)C=COCCC6
|
[C][N][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][C][C][C@H1][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][O][C][C][C][Ring1][=Branch1]
|
C2(=O)CCCCC3=O.N13CCC[C@@H](C)[C@H]16.C4(=O)C1=COCCC1.CN2.C56.N45
|
CCCN(C)Cc1ccc(C(=O)N[C@@H]2CN(C(=O)C3=CCSC3)C[C@@H]2N=[N+]=[N-])o1
|
CCCNC)CccccC=O)N[C@@H]CNC=O)C=CCSC5))))))C[C@@H]5N=[N+]=[N-]))))))))))o5
|
[C][C][C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][S][C][Ring1][Branch1][C][C@@H1][Ring1][N][N][=N+1][=N-1][O][Ring2][Ring1][#Branch1]
|
[C@@H]18CN5C[C@@H]1N=[N+]=[N-].C5(=O)C1=CCSC1.c1%10ccc9o1.CCC6.N67C.C49=O.C7%10.N48
|
CC(C)(NC(=O)c1cc2c(nc1O)CCSC2)c1ccc2c(c1)OCO2
|
CCC)NC=O)ccccnc6O)))CCSC6))))))))))cccccc6)OCO5
|
[C][C][Branch1][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][=C][Ring1][=Branch1][O][C][C][S][C][Ring1][=Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
|
c15cc2c(nc1O)CCSC2.c16ccc2c(c1)OCO2.CC46C.C35=O.N34
|
COC(=O)COCC(=O)N1C[C@H](NC(=O)c2nncs2)CC2(CCC2)C1
|
COC=O)COCC=O)NC[C@H]NC=O)cnncs5)))))))CCCCC4)))C6
|
[C][O][C][=Branch1][C][=O][C][O][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][=N][N][C][=Branch1][C][=O][C][=N][N][=C][S][Ring1][Branch1][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][P]
|
N14C[C@H]8CC2(CCC2)C1.c19nncs1.C3(=O)C6.C7C4=O.C59=O.CO3.O67.N58
|
Cn1cc(-c2cccc(N[C@@H](c3cnnn3C)c3nnnn3CC(F)F)c2)cn1
|
Cncc-cccccN[C@@H]ccnnn5C))))))cnnnn5CCF)F))))))))))c6))))))cn5
|
[C][N][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C@@H1][Branch1][=Branch2][C][=C][N][=N][N][Ring1][Branch1][C][C][=N][N][=N][N][Ring1][Branch1][C][C][Branch1][C][F][F][=C][Ring2][Ring1][#Branch1][C][=N][Ring2][Ring1][N]
|
c19cccc5c1.Cn1cc9cn1.c17cnnn1C.c18nnnn16.C6C(F)F.[C@H]478.N45
|
CC1(C)C[C@H](NC(=O)[C@H]2CCC3(CCC3)C2)CCN(C(=O)c2cc(N)ccn2)C1
|
CCC)C[C@H]NC=O)[C@H]CCCCCC4)))C5)))))))CCNC=O)cccN)ccn6)))))))C7
|
[C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@H1][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][Branch2][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][C][=N][Ring1][#Branch1][C][Ring2][Ring1][N]
|
CC1(C)C[C@H]6CCN5C1.[C@H]18CCC2(CCC2)C1.c17cc(N)ccn1.C48=O.C57=O.N46
|
CCCC(C)=CC(=O)N1CCC2(CCCN2C(=O)C(SC)C(C)C)C1
|
CCCCC)=CC=O)NCCCCCCN5C=O)CSC))CC)C))))))))C5
|
[C][C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][Ring1][S][C][C][Branch1][C][C][C][C][Ring1][P]
|
N13CCC2(CCCN24)C1.C4(=O)C5C(C)C.CCCC=6C.C=6C3=O.S5C
|
Cc1cc2cc(CNC(=O)NNc3c(F)cccc3Br)ccc2s1
|
CcccccCNC=O)NNccF)cccc6Br))))))))))))ccc6s9
|
[C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Br][=C][C][=C][Ring2][Ring1][Ring2][S][Ring2][Ring1][#Branch1]
|
C4(=O)NNc1c(F)cccc1Br.Cc1cc2cc6ccc2s1.C56.N45
|
C[C@H]1OCC[C@]1(C)C(=O)NCC1(C(C)(C)O)CN(C(=O)CCc2n[nH]c(=N)s2)C1
|
C[C@H]OCC[C@]5C)C=O)NCCCC)C)O))CNC=O)CCcn[nH]c=N)s5))))))))C4
|
[C][C@H1][O][C][C][C@][Ring1][Branch1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][=N][NH1][C][=Branch1][C][=N][S][Ring1][=Branch1][C][Ring2][Ring1][C]
|
C[C@H]1OCC[C@@]16C.C189CN4C1.c17n[nH]c(=N)s1.C4(=O)CC7.C9(C)(C)O.C36=O.N35.C58
|
CCN(C(=O)CC1(OC)CCCC1)[C@@H]1CCN(C(=O)[C@H]2CN3CCN2[C@H](C)C3)C1
|
CCNC=O)CCOC))CCCC5)))))))[C@@H]CCNC=O)[C@H]CNCCN6[C@H]C)C6)))))))))C5
|
[C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][Branch1][Ring1][O][C][C][C][C][C][Ring1][#Branch1][C@@H1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C@H1][C][N][C][C][N][Ring1][=Branch1][C@H1][Branch1][C][C][C][Ring1][#Branch1][C][Ring1][S]
|
[C@H]19CN2CCN1[C@H](C)C2.C16%10CCCC1.[C@@H]18CCN5C1.C4(=O)C%10.N478.C59=O.CC7.O6C
|
CC[C@H](C)C(=O)NCC(=O)NC1C[C@H]2C(NC(=O)c3cccc(OC)c3)[C@@H]2C1
|
CC[C@H]C)C=O)NCC=O)NCC[C@H]CNC=O)cccccOC))c6))))))))[C@@H]3C6
|
[C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C@H1][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C@@H1][Ring1][=C][C][Ring1][P]
|
C19C[C@H]2C%10[C@@H]2C1.c1%11cccc7c1.CC[C@H](C)C4=O.C8C5=O.C6%11=O.N48.N59.N6%10.O7C
|
C#CC[C@H]1CCCCN1C(=O)C[C@@H](C)CNC(=O)c1coc(N(C)C)n1
|
C#CC[C@H]CCCCN6C=O)C[C@@H]C)CNC=O)ccocNC)C))n5
|
[C][#C][C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][O][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][Branch2]
|
[C@H]17CCCCN12.C2(=O)C[C@@H](C)C4.c16coc5n1.C#CC7.C36=O.N5(C)C.N34
|
Cc1cc(C(=O)N2CC=C(CCNC(=O)[C@@](C)(O)C3CCC3)CC2)cc(C)c1O
|
CcccC=O)NCC=CCCNC=O)[C@@]C)O)CCCC4)))))))))CC6)))))))ccC)c6O
|
[C][C][=C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][C][O][C][C][C][C][Ring1][Ring2][C][C][Ring2][Ring1][C][=C][C][Branch1][C][C][=C][Ring2][Ring1][O][O]
|
Cc1cc7cc(C)c1O.N14CC=C(CC6)CC1.C5(=O)[C@@]8(C)O.C18CCC1.C47=O.N56
|
CC(C)[C@](C)(CNC(=O)CCc1ccc(Cl)s1)NC(=O)C[C@H]1CCCC(C)(C)C1
|
CCC)[C@]C)CNC=O)CCccccCl)s5))))))))))NC=O)C[C@H]CCCCC)C)C6
|
[C][C][Branch1][C][C][C@][Branch1][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C@H1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2]
|
[C@H]17CCCC(C)(C)C1.CC(C)[C@]4(C)C5.c16ccc(Cl)s1.C2(=O)CC6.C3(=O)C7.N25.N34
|
O=C(COCCCF)NCC1(C(=O)NCC2SCCS2)CCCCC1
|
O=CCOCCCF))))))NCCC=O)NCCSCCS5))))))))CCCCC6
|
[O][=C][Branch1][#Branch1][C][O][C][C][C][F][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][S][C][C][S][Ring1][Branch1][C][C][C][C][C][Ring1][#C]
|
C19%11CCCCC1.C1%10SCCS1.O=C3C5.C6CCF.C49=O.O56.N37.C7%11.N48.C8%10
|
CCn1nccc1C(=O)N1CCN(C(=O)c2cc(C(F)(F)F)cs2)[C@H](C)C[C@@H]1C
|
CCnnccc5C=O)NCCNC=O)cccCF)F)F))cs5))))))[C@H]C)C[C@@H]7C
|
[C][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2][C@H1][Branch1][C][C][C][C@@H1][Ring2][Ring1][Ring1][C]
|
N13CCN4[C@H](C)C[C@@H]1C.n17nccc15.c16cc8cs1.C8(F)(F)F.C35=O.C46=O.CC7
|
CC(C)(F)CCC(=O)N1CCN(C(=O)C=C2CN3CCC2CC3)[C@@H]2C[C@@H]21
|
CCC)F)CCC=O)NCCNC=O)C=CCNCCC6CC6))))))))))[C@@H]C[C@@H]37
|
[C][C][Branch1][C][C][Branch1][C][F][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C@@H1][C][C@@H1][Ring1][Ring1][Ring2][Ring1][C]
|
CC(C)(F)CCC4=O.N14CCN5[C@@H]2C[C@@H]21.C1=6CN2CCC1CC2.C5(=O)C=6
|
CCN1CC[C@H](C(=O)N(CC(=O)N(C)C[C@H]2CCC[C@@H]2O)CC(C)C)C1
|
CCNCC[C@H]C=O)NCC=O)NC)C[C@H]CCC[C@@H]5O))))))))))CCC)C)))))C5
|
[C][C][N][C][C][C@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][C][C][C][C@@H1][Ring1][Branch1][O][C][C][Branch1][C][C][C][C][Ring2][Ring1][Branch2]
|
N15CC[C@H]9C1.[C@H]1%10CCC[C@@H]1O.C6C4=O.C8C(C)C.C39=O.N368.N47C.CC5.C7%10
|
C#CCN(C(=O)c1cnc2c(c1)COC2)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C#N)C1
|
C#CCNC=O)ccnccc6)COC5)))))))))[C@H]CCNC=O)[C@@H]C[C@H]3C#N))))))C5
|
[C][#C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][C@H1][C][C][N][Branch1][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][#N][C][Ring1][N]
|
c18cnc2c(c1)COC2.[C@H]16CCN4C1.[C@@H]17C[C@H]1C#N.C#CC5.N356.C38=O.C47=O
|
CC[C@H](CC(C)C)C(=O)N1C[C@@H](NC(=O)C(F)(F)c2cnnn2C)CC(C)(C)C1
|
CC[C@H]CCC)C)))C=O)NC[C@@H]NC=O)CF)F)ccnnn5C)))))))))CCC)C)C6
|
[C][C][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][=C][N][=N][N][Ring1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring2]
|
CC[C@H](CC(C)C)C3=O.N13C[C@@H]5CC(C)(C)C1.C4(=O)C6(F)F.c16cnnn1C.N45
|
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CN1C[C@@H](C)CC[C@H]1C
|
Ccnn-cccccCF)F)F))c6))))))cCl)c5CNC[C@@H]C)CC[C@H]6C
|
[C][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Branch1][C][Cl][=C][Ring1][S][C][N][C][C@@H1][Branch1][C][C][C][C][C@H1][Ring1][#Branch1][C]
|
Cc1nn6c(Cl)c15.N13C[C@@H](C)CC[C@H]1C.c16cccc4c1.C4(F)(F)F.C35
|
C[C@@H]1C[C@H](C(=O)NC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C2CCCC2)CCC1=O
|
C[C@@H]C[C@H]C=O)NC[C@@H]NC=O)C[C@@H]CCC=O)N5))))))))CCCCC5)))))))))CCC6=O
|
[C][C@@H1][C][C@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1][C][C][C][Ring2][Ring1][#Branch2][=O]
|
C[C@@H]1C[C@H]7CCC1=O.[C@@H]18CCC(=O)N1.C19CCCC1.C5[C@@H]69.C4(=O)C8.C37=O.N35.N46
|
O=C(COc1ccc(F)c(F)c1)N1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@]12CC[C@H]1C2
|
O=CCOccccF)cF)c6))))))))NC[C@H]CCC[C@@H]C8)N6C=O)[C@]CC[C@H]4C5
|
[O][=C][Branch1][P][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][C][C@H1][C][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][#Branch1][C][=Branch1][C][=O][C@][C][C][C@H1][Ring1][Ring2][C][Ring1][Branch1]
|
N13C[C@H]2CCC[C@@H](C1)N24.c16ccc(F)c(F)c1.[C@]127CC[C@H]1C2.O=C3C5.C47=O.O56
|
Cc1cc(O)cc(-c2c(C(=O)Nc3cc(Cl)c(F)cc3F)[nH]c3ccccc23)c1
|
CcccO)cc-ccC=O)NcccCl)cF)cc6F)))))))))[nH]cccccc96)))))))))c6
|
[C][C][=C][C][Branch1][C][O][=C][C][Branch2][Ring2][=Branch1][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][NH1][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1][=C][Ring2][Ring1][N]
|
c17c6[nH]c2ccccc12.c15cc(Cl)c(F)cc1F.Cc1cc7cc(O)c1.C46=O.N45
|
CCCC[C@H](CO)NC(=O)[C@H]1CC12CCN(c1nc(C)c(C)cc1C#N)CC2
|
CCCC[C@H]CO))NC=O)[C@H]CC3CCNcncC)cC)cc6C#N))))))))CC6
|
[C][C][C][C][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][C][C][Ring1][Ring1][C][C][N][Branch1][P][C][=N][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][#N][C][C][Ring1][S]
|
c15nc(C)c(C)cc1C#N.[C@H]16CC12CCN5CC2.CCCC[C@@H]4CO.C36=O.N34
|
CCCC[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1cccc(C)c1
|
CCCC[C@H]C)C=O)NC[C@@H]COCCN6C=O)cccccC)c6
|
[C][C][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1]
|
CCCC[C@H](C)C2=O.[C@@H]16COCCN13.c15cccc(C)c1.C35=O.N24.C46
|
C=CC1(C(=O)NCC2(C3(O)CN(C(=O)[C@H]4CCC5(CCC5)C4)C3)CC2)CC1
|
C=CCC=O)NCCCO)CNC=O)[C@H]CCCCCC4)))C5))))))C4))))CC3))))))CC3
|
[C][=C][C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][#C][C][Branch1][C][O][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@H1][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][Branch2][C][Ring1][#C][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][=Branch2]
|
C1%11(C2(O)CN7C2)CC1.[C@H]1%10CCC2(CCC2)C1.C=CC19CC1.C69=O.C7%10=O.N68.C8%11
|
CNC(=O)[C@@H](CC(C)C)NC(=O)[C@]1(CF)CCN(C(=O)CCCCNC(C)=O)C1
|
CNC=O)[C@@H]CCC)C)))NC=O)[C@]CF))CCNC=O)CCCCNCC)=O))))))))C5
|
[C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@][Branch1][Ring1][C][F][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][C][N][C][Branch1][C][C][=O][C][Ring1][P]
|
C2(=O)[C@H]6CC(C)C.[C@@]189CCN4C1.C4(=O)CCCC7.C38=O.C5(C)=O.CN2.N36.C9F.N57
|
Cc1cc(C(=O)N(C)C[C@]2(O)CCN(C(=O)c3nc(C)n(C)n3)C2)sn1
|
CcccC=O)NC)C[C@]O)CCNC=O)cncC)nC)n5))))))C5))))))))sn5
|
[C][C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C@][Branch1][C][O][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][N][=C][Branch1][C][C][N][Branch1][C][C][N][=Ring1][#Branch1][C][Ring1][#C][S][N][=Ring2][Ring1][=Branch2]
|
[C@@]19(O)CCN5C1.c18nc(C)n(C)n1.Cc1cc7sn1.C47=O.N46C.C58=O.C69
|
Cc1cc(=NC(=O)[C@H]2CCCN2Cc2cc(O)c(O)c([N+](=O)[O-])c2)[nH][nH]1
|
Cccc=NC=O)[C@H]CCCN5CcccO)cO)c[N+]=O)[O-]))c6))))))))))))))[nH][nH]5
|
[C][C][=C][C][=Branch2][Ring2][Ring1][=N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O][NH1][NH1][Ring2][Ring1][=Branch2]
|
c15cc(O)c(O)c([N+](=O)[O-])c1.Cc1cc(=NC4=O)[nH][nH]1.[C@H]14CCCN13.C35
|
C[C@@H]1C[C@@H]1C(=O)NCC(C)(C)[C@@H]1CCCN1C(=O)CCc1cccc(F)c1
|
C[C@@H]C[C@@H]3C=O)NCCC)C)[C@@H]CCCN5C=O)CCcccccF)c6
|
[C][C@@H1][C][C@@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]
|
c17cccc(F)c1.[C@@H]16CCCN13.C4C6(C)C.C3(=O)CC7.C[C@@H]1C[C@@H]15.C25=O.N24
|
COCn1nccc1C(=O)N[C@H]1C[C@](C)(NC(=O)Cc2csc3nc(C)cn23)C1
|
COCnnccc5C=O)N[C@H]C[C@]C)NC=O)CccscncC)cn85)))))))))))C4
|
[C][O][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][C][C@][Branch1][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][S][C][=N][C][Branch1][C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][Ring2][Ring1][C]
|
c1%10csc2nc(C)cn12.n19nccc18.[C@H]17C[C@@]6(C)C1.C5(=O)C%10.COC9.C48=O.N47.N56
|
CC[C@@H]1CN(C(=O)C2(OC)CCCCC2)CC[C@@H]1NC(=O)c1cnnn1C(C)C
|
CC[C@@H]CNC=O)COC))CCCCC6)))))))CC[C@@H]6NC=O)ccnnn5CC)C
|
[C][C][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][C][C][C][C][C][Ring1][Branch2][C][C][C@@H1][Ring1][S][N][C][=Branch1][C][=O][C][=C][N][=N][N][Ring1][Branch1][C][Branch1][C][C][C]
|
[C@@H]1%10CN3CC[C@@H]16.C158CCCCC1.c17cnnn19.C38=O.C47=O.C9(C)C.CC%10.O5C.N46
|
CN1CCC[C@]1(C)C(=O)N[C@H]1CC[C@H](NC(=O)Cc2ccnc(F)c2F)C1
|
CNCCC[C@]5C)C=O)N[C@H]CC[C@H]NC=O)CcccncF)c6F))))))))))C5
|
[C][N][C][C][C][C@][Ring1][Branch1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1][F][C][Ring1][P]
|
c18ccnc(F)c1F.CN1CCC[C@@]17C.[C@H]15CC[C@H]6C1.C4(=O)C8.C37=O.N35.N46
|
CCCOCCCC(=O)N1C[C@H](NC(=O)Cn2cnnc2O)C2(CC2)C1
|
CCCOCCCC=O)NC[C@H]NC=O)Cncnnc5O)))))))))CCC3))C5
|
[C][C][C][O][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][N][C][=N][N][=C][Ring1][Branch1][O][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][P]
|
N13C[C@H]7C2(CC2)C1.C6CCC3=O.n18cnnc1O.C4(=O)C8.CCC5.O56.N47
|
CCCC[C@@H](CC)CC(=O)N[C@H](CC(C)C)C(=O)NCc1cc(C)ns1
|
CCCC[C@@H]CC))CC=O)N[C@H]CCC)C)))C=O)NCcccC)ns5
|
[C][C][C][C][C@@H1][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][C][=N][S][Ring1][=Branch1]
|
CCCC[C@@H](CC)CC2=O.[C@@H]4(CC(C)C)C3=O.c16cc(C)ns1.N24.N35.C56
|
CCC[C@H](O)C(=O)N[C@@H](C(=O)NCCOCCO)C1CCCC1
|
CCC[C@H]O)C=O)N[C@@H]C=O)NCCOCCO))))))))CCCCC5
|
[C][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][C][C][C][Ring1][Branch1]
|
CCC[C@H](O)C2=O.[C@@H]68C3=O.C18CCCC1.C7C4.C5CO.N26.N37.O45
|
Cc1ccc(C(=O)N[C@H](CO)[C@@H](C)NC(=O)Cc2ccccc2)cc1CO
|
CccccC=O)N[C@H]CO))[C@@H]C)NC=O)Ccccccc6)))))))))))))cc6CO
|
[C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2][C][O]
|
Cc1ccc7cc19.[C@@H]5(CO)[C@H]6C.c18ccccc1.C4(=O)C8.C37=O.N35.N46.C9O
|
C#C[C@@]1(O)CCN(C(=O)CC(C)(C)CNC(=O)CCCCCSC)C1
|
C#C[C@@]O)CCNC=O)CCC)C)CNC=O)CCCCCSC)))))))))))))C5
|
[C][#C][C@@][Branch1][C][O][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][S][C][C][Ring2][Ring1][#Branch1]
|
C#C[C@@]1(O)CCN2C1.C2(=O)CC(C)(C)C4.C3(=O)CCCCC5.N34.S5C
|
CO[C@@H](C(=O)NC[C@](C)(O)C1CCN(C(=O)CC2=NNC(=O)C2)CC1)C1CC1
|
CO[C@@H]C=O)NC[C@]C)O)CCCNC=O)CC=NNC=O)C5)))))))CC6))))))))))CCC3
|
[C][O][C@@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][Branch1][C][O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=N][N][C][=Branch1][C][=O][C][Ring1][=Branch1][C][C][Ring1][#C][C][C][C][Ring1][Ring1]
|
C4(=O)CC1=NNC(=O)C1.C18CCN4CC1.[C@@H]57C3=O.C6[C@]8(C)O.C17CC1.CO5.N36
|
CSc1sccc1C(=O)NC[C@@H](C)CN(C)C(=O)C[C@H](O)C(C)(C)C
|
CScsccc5C=O)NC[C@@H]C)CNC)C=O)C[C@H]O)CC)C)C
|
[C][S][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C]
|
C3(=O)C[C@H](O)C(C)(C)C.c17sccc16.C4[C@@H](C)C5.C26=O.N35C.CS7.N24
|
C[C@@H](CNC(=O)[C@@H]1CC(C2CC2)=NO1)NC(=O)c1cc(Br)c([N+](=O)[O-])s1
|
C[C@@H]CNC=O)[C@@H]CCCCC3)))=NO5))))))))NC=O)cccBr)c[N+]=O)[O-]))s5
|
[C][C@@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][S][Ring1][=Branch2]
|
c18cc(Br)c([N+](=O)[O-])s1.[C@@H]17CC(C2CC2)=NO1.C[C@H]5C6.C37=O.C48=O.N36.N45
|
Cc1c(Br)cccc1C(=O)N1C[C@H]2CC[C@@](NC(=O)COCCCF)(C2)C1
|
CccBr)cccc6C=O)NC[C@H]CC[C@@]NC=O)COCCCF))))))))C5)C7
|
[C][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][C@@][Branch1][N][N][C][=Branch1][C][=O][C][O][C][C][C][F][Branch1][Ring2][C][Ring1][=C][C][Ring1][P]
|
N13C[C@H]2CC[C@@]7(C2)C1.Cc1c8cccc1Br.C4(=O)C5.C6CCF.C38=O.N47.O56
|
CN(CCN(C)C(=O)c1c(C#N)ncn1C)C(=O)C=Cc1cncn1C
|
CNCCNC)C=O)ccC#N))ncn5C))))))))))C=O)C=Cccncn5C
|
[C][N][Branch2][Ring1][#Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][Ring1][C][#N][N][=C][N][Ring1][#Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][N][Ring1][Branch1][C]
|
c16c(C#N)ncn1C.C=7c1cncn1C.C3(=O)C=7.CN34.C4C5.N25C.C26=O
|
COC1CC(C(=O)N[C@H]2CCC[C@H]2C(=O)NO[C@@H]2C[C@H]3CC[C@H]2C3)C1
|
COCCCC=O)N[C@H]CCC[C@H]5C=O)NO[C@@H]C[C@H]CC[C@H]6C5)))))))))))))))))C4
|
[C][O][C][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@H1][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][O][C@@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][C][Ring1][Branch1][C][Ring2][Ring1][#Branch1]
|
[C@@H]16C[C@H]2CC[C@H]1C2.[C@H]17CCC[C@H]19.C15CC8C1.C9(=O)NO6.C48=O.CO5.N47
|
C=C[C@@](C)(O)C(=O)NCCOCCN(C)C(=O)c1nnn(C)c1C
|
C=C[C@@]C)O)C=O)NCCOCCNC)C=O)cnnnC)c5C
|
[C][=C][C@@][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][C][O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C]
|
C=C[C@@](C)(O)C2=O.c18nnn(C)c1C.C6C4.C5C7.N37C.C38=O.N26.O45
|
Cc1ccc(CC(=O)N[C@@H]2CN(C(=O)C(C)(C)c3cc[nH]n3)CC[C@H]2F)c(C)c1
|
CccccCC=O)N[C@@H]CNC=O)CC)C)ccc[nH]n5)))))))CC[C@H]6F))))))))))cC)c6
|
[C][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][NH1][N][=Ring1][Branch1][C][C][C@H1][Ring1][S][F][C][Branch1][C][C][=C][Ring2][Ring1][N]
|
Cc1ccc8c(C)c1.[C@@H]16CN5CC[C@H]1F.C5(=O)C7(C)C.c17cc[nH]n1.C8C4=O.N46
|
CCOC1(C(=O)N2C[C@H](CO)C3(CN(C(=O)[C@H]4CCCCC4(C)C)C3)C2)CCC1
|
CCOCC=O)NC[C@H]CO))CCNC=O)[C@H]CCCCC6C)C))))))))C4)))C5))))))CCC4
|
[C][C][O][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C@H1][Branch1][Ring1][C][O][C][Branch2][Ring1][Branch2][C][N][Branch1][P][C][=Branch1][C][=O][C@H1][C][C][C][C][C][Ring1][=Branch1][Branch1][C][C][C][C][Ring1][=C][C][Ring2][Ring1][Ring2][C][C][C][Ring2][Ring1][#Branch2]
|
N15C[C@H]%11C2(C1)CN6C2.[C@H]1%10CCCCC1(C)C.C189CCC1.C59=O.C6%10=O.CC7.O78.C%11O
|
C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1csc2ccccc12
|
C[C@H]NC=O)Cccsc-ccccCl)s5)))))n5))))))))ccscccccc96
|
[C][C@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][=N][Ring1][O][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
c16csc2ccccc12.c15csc7n1.c17ccc(Cl)s1.C3(=O)C5.C[C@H]46.N34
|
CC[S@@+]([O-])CC(=O)N(C)CCOCCNC(=O)[C@@]12CCCC(=O)N1CCC2
|
CC[S@@+][O-])CC=O)NC)CCOCCNC=O)[C@@]CCCC=O)N6CCC9
|
[C][C][S@@+1][Branch1][C][O-1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][O][C][C][N][C][=Branch1][C][=O][C@@][C][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][C][Ring1][#Branch2]
|
[C@@]129CCCC(=O)N1CCC2.CC[S@@+]([O-])CC3=O.N37C.C7C5.C6C8.C49=O.O56.N48
|
C[C@H]1C[C@H](N=c2nc(C#N)[nH]cc2Cl)CCN1C(=O)CCc1cncc(F)c1
|
C[C@H]C[C@H]N=cncC#N))[nH]cc6Cl))))))))CCN6C=O)CCccnccF)c6
|
[C][C@H1][C][C@H1][Branch1][#C][N][=C][N][=C][Branch1][Ring1][C][#N][NH1][C][=C][Ring1][Branch2][Cl][C][C][N][Ring1][S][C][=Branch1][C][=O][C][C][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1]
|
C[C@H]1C[C@H](N=c2nc(C#N)[nH]cc2Cl)CCN13.c14cncc(F)c1.C3(=O)CC4
|
Cc1[nH]c(C)c(C(=O)N2CCO[C@@H](CN(C)C(=O)Cn3cnnc3O)C2)c1C
|
Cc[nH]cC)cC=O)NCCO[C@@H]CNC)C=O)Cncnnc5O))))))))))C6)))))))c5C
|
[C][C][NH1][C][Branch1][C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][O][C@@H1][Branch2][Ring1][Ring1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=N][N][=C][Ring1][Branch1][O][C][Ring2][Ring1][C][C][=Ring2][Ring1][#Branch2][C]
|
Cc1[nH]c(C)c7c1C.N14CCO[C@@H]9C1.n18cnnc1O.C5(=O)C8.C47=O.N56C.C69
|
CN(C)C(=O)CSc1ccccc1[S@](=N)(=O)C(F)(F)F
|
CNC)C=O)CScccccc6[S@]=N)=O)CF)F)F
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][S@][=Branch1][C][=N][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
c14ccccc1[S@](=N)(=O)C(F)(F)F.C2(=O)C3.CN2C.S34
|
Cc1cc(C(=O)NCC(CNC(=O)CCC(C)C)C(F)(F)F)cc(NC2CC2)n1
|
CcccC=O)NCCCNC=O)CCCC)C)))))))CF)F)F))))))ccNCCC3))))n6
|
[C][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][N]
|
Cc1cc9cc7n1.C5C(C6)C(F)(F)F.C4(=O)CCC(C)C.C39=O.C18CC1.N35.N46.N78
|
COC(=O)[C@H](C)NC(=O)[C@H](Cn1cncn1)NC(=O)c1c[nH]c(C)c1
|
COC=O)[C@H]C)NC=O)[C@H]Cncncn5))))))NC=O)cc[nH]cC)c5
|
[C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][NH1][C][Branch1][C][C][=C][Ring1][=Branch1]
|
C3(=O)[C@@H]6C8.c17c[nH]c(C)c1.C2(=O)[C@@H]5C.n18cncn1.C47=O.CO2.N35.N46
|
C[C@@H]1C[C@H](NC(=O)CC(=O)Nc2ccc(N)cc2)CN1C(=O)[C@H]1CCC(=O)NC1
|
C[C@@H]C[C@H]NC=O)CC=O)NccccN)cc6)))))))))))CN5C=O)[C@H]CCC=O)NC6
|
[C][C@@H1][C][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][N][Ring2][Ring1][Ring1][C][=Branch1][C][=O][C@H1][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1]
|
C[C@@H]1C[C@H]7CN15.c16ccc(N)cc1.[C@H]18CCC(=O)NC1.C3(=O)CC4=O.C58=O.N37.N46
|
CCn1nccc1CNC(=O)C[C@H](C)C(C)(C)NC(=O)c1sccc1OC
|
CCnnccc5CNC=O)C[C@H]C)CC)C)NC=O)csccc5OC
|
[C][C][N][N][=C][C][=C][Ring1][Branch1][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][S][C][=C][C][=Ring1][Branch1][O][C]
|
C2(=O)C[C@H](C)C6(C)C.n18nccc19.c17sccc14.C37=O.CC8.C59.N25.N36.O4C
|
CCOc1cc(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)[C@H](C)C2CCC2)on1
|
CCOcccC=O)N[C@@H]CCC[C@@H]5CNC=O)[C@H]C)CCCC4)))))))))))))))on5
|
[C][C][O][C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@@H1][C][C][C][C@@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C][C][C][Ring1][Ring2][O][N][=Ring2][Ring1][#Branch1]
|
c16cc9on1.[C@@H]18CCC[C@@H]1%10.C4(=O)[C@@H]%11C.C1%11CCC1.C39=O.CC5.O56.N38.C7%10.N47
|
COC[C@H]1C=CCN1S(=O)(=O)c1cnc(NCCOC(F)(F)C(F)(F)F)c(Cl)c1
|
COC[C@H]C=CCN5S=O)=O)ccncNCCOCF)F)CF)F)F)))))))cCl)c6
|
[C][O][C][C@H1][C][=C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][C][O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring2][Ring1][C]
|
S6(=O)(=O)c1cnc7c(Cl)c1.C4(F)(F)C(F)(F)F.[C@H]18C=CCN16.C5C3.CO2.C28.N57.O34
|
C[C@@H](O)c1ccccc1C(=O)NCC1CC(NC(=O)[C@H](c2cscn2)N(C)C)C1
|
C[C@@H]O)cccccc6C=O)NCCCCNC=O)[C@H]ccscn5)))))NC)C)))))C4
|
[C][C@@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][N][Branch1][C][C][C][C][Ring1][S]
|
c1%11ccccc18.C1%10CC7C1.C4(=O)[C@@H]69.c19cscn1.C[C@H]%11O.C38=O.N6(C)C.N35.C5%10.N47
|
Cn1ncc(C(=O)NCC2CN(C(=O)C3=C[S@+]([O-])CCC3)C2)c1C(F)F
|
CnnccC=O)NCCCNC=O)C=C[S@+][O-])CCC6)))))))C4)))))))c5CF)F
|
[C][N][N][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][S@+1][Branch1][C][O-1][C][C][C][Ring1][#Branch1][C][Ring1][=N][=C][Ring2][Ring1][=Branch1][C][Branch1][C][F][F]
|
C5(=O)C1=C[S@+]([O-])CCC1.Cn1ncc7c18.C19CN5C1.C47=O.C8(F)F.N46.C69
|
CS[C@@H]1CN(C(=O)[C@@H]2CCOc3c(F)cccc32)C[C@H]1NC(=O)C1CC(F)(F)C1
|
CS[C@@H]CNC=O)[C@@H]CCOccF)cccc6%10)))))))))))C[C@H]5NC=O)CCCF)F)C4
|
[C][S][C@@H1][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring1][O][C][C@H1][Ring2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1]
|
C4(=O)[C@@H]1CCOc2c(F)cccc21.[C@@H]18CN4C[C@H]16.C17CC(F)(F)C1.C57=O.CS8.N56
|
CC1(C)CC[C@H]1C(=O)N1CCC[C@@H](CNC(=O)CC=CCc2ccccc2)C1
|
CCC)CC[C@H]4C=O)NCCC[C@@H]CNC=O)CC=CCcccccc6)))))))))))))C6
|
[C][C][Branch1][C][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2]
|
N13CCC[C@@H]8C1.CC1(C)CC[C@H]16.c19ccccc1.C4(=O)CC=7.C36=O.C=7C9.C58.N45
|
CN(C)C1(C)CCN(C(=O)c2occc2CNC(=O)[C@@H]2CCC(C)(C)C2)CC1
|
CNC)CC)CCNC=O)coccc5CNC=O)[C@@H]CCCC)C)C5))))))))))))))CC6
|
[C][N][Branch1][C][C][C][Branch1][C][C][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C][O][C][=C][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch2]
|
C15(C)CCN3CC1.[C@@H]18CCC(C)(C)C1.c17occc19.CN5C.C37=O.C48=O.C69.N46
|
CN(C(=O)c1ccon1)C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](NC(N)=O)C(C)(C)C
|
CNC=O)cccon5))))))CC[C@H]CC[C@@H]C7)N5C=O)[C@@H]NCN)=O)))CC)C)C
|
[C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][N][=Ring1][Branch1][C][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][Branch1][C][C][Branch1][C][C][C]
|
C17C[C@H]2CC[C@@H](C1)N24.C4(=O)[C@@H]6C(C)(C)C.c18ccon1.CN37.C38=O.C5(N)=O.N56
|
CCCOCCNC(=O)C[C@@H](CCC)NC(=O)[C@H]1[C@H]2CCC(F)(F)[C@H]21
|
CCCOCCNC=O)C[C@@H]CCC)))NC=O)[C@H][C@H]CCCF)F)[C@H]56
|
[C][C][C][O][C][C][N][C][=Branch1][C][=O][C][C@@H1][Branch1][Ring2][C][C][C][N][C][=Branch1][C][=O][C@H1][C@H1][C][C][C][Branch1][C][F][Branch1][C][F][C@H1][Ring1][#Branch1][Ring1][Branch2]
|
C3(=O)C[C@H]8CCC.[C@H]19[C@H]2CCC(F)(F)[C@@H]12.CCC5.C6C7.C49=O.O56.N37.N48
|
CC[C@](C)(C#N)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)Cc1coc(C)n1)CC2
|
CC[C@]C)C#N))C=O)N[C@H]CC[C@H]5CNC=O)CccocC)n5)))))))CC8
|
[C][C][C@][Branch1][C][C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Ring1][Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][O][C][Branch1][C][C][=N][Ring1][=Branch1][C][C][Ring1][P]
|
N13[C@H]2CC[C@H]1CN4CC2.CC[C@](C)(C#N)C3=O.c15coc(C)n1.C4(=O)C5
|
CCc1nccn1[C@H](C)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)CN=S(C)(C)=O)C2
|
CCcnccn5[C@H]C)CC=O)N[C@@H]COCC5)CNC=O)CN=SC)C)=O)))))C4
|
[C][C][C][=N][C][=C][N][Ring1][Branch1][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][O][C][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C][N][=S][Branch1][C][C][Branch1][C][C][=O][C][Ring1][=N]
|
[C@@H]15COC2(C1)CN4C2.C4(=O)CN=S(C)(C)=O.c17nccn16.[C@@H]6(C)CC3=O.CC7.N35
|
CC(C)OCC1(C(=O)NC[C@]2(F)C[C@H](CNC(=O)[C@H](C)n3cccc3)C2)CC1
|
CCC)OCCC=O)NC[C@]F)C[C@H]CNC=O)[C@H]C)ncccc5)))))))))C4)))))))CC3
|
[C][C][Branch1][C][C][O][C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@][Branch1][C][F][C][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=C][C][=C][Ring1][Branch1][C][Ring1][S][C][C][Ring2][Ring1][#Branch1]
|
[C@]15(F)C[C@@H]6C1.C7(=O)[C@@H]%13C.n1%13cccc1.C1%12%14CC1.CC8C.C4%12=O.O89.C9%14.N4%10.C%105.C%116.N7%11
|
CCCCS[C@@H](C)C(=O)N1CCC2(CC1)CN(C(=O)c1cc(F)ccc1F)C2
|
CCCCS[C@@H]C)C=O)NCCCCC6))CNC=O)cccF)ccc6F))))))))C4
|
[C][C][C][C][S][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][Ring1][S]
|
N13CCC2(CC1)CN4C2.c17cc(F)ccc1F.[C@H]6(C)C3=O.CCCC5.C47=O.S56
|
CSCC[C@@H](NC(=O)[C@@H]1CCCN1C1CC1)C(=O)NCC1SCCS1
|
CSCC[C@@H]NC=O)[C@@H]CCCN5CCC3))))))))))C=O)NCCSCCS5
|
[C][S][C][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][S][C][C][S][Ring1][Branch1]
|
C6C[C@@H]4C3=O.[C@@H]18CCCN17.C19SCCS1.C28=O.C17CC1.CS6.N24.N35.C59
|
CC[C@H](C(=O)N1CC(CNC(=O)[C@@H]2OCCN(C)C2=O)(COC)C1)C(C)(F)F
|
CC[C@H]C=O)NCCCNC=O)[C@@H]OCCNC)C6=O))))))))))COC)))C4)))))CC)F)F
|
[C][C][C@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C@@H1][O][C][C][N][Branch1][C][C][C][Ring1][#Branch1][=O][Branch1][Ring2][C][O][C][C][Ring2][Ring1][Ring1][C][Branch1][C][C][Branch1][C][F][F]
|
CC[C@H](C3=O)C(C)(F)F.[C@@H]17OCCN(C)C1=O.N13CC89C1.C47=O.C68.N46.C59.O5C
|
Cc1scc(C(=O)N2C[C@H](C)CN(C(=O)c3ccnn3C)C[C@H]2C)c1N
|
CcsccC=O)NC[C@H]C)CNC=O)cccnn5C)))))))C[C@H]7C)))))))))c5N
|
[C][C][S][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][C@H1][Ring1][S][C][C][=Ring2][Ring1][Branch2][N]
|
N14C[C@H](C)CN5C[C@H]1C.Cc1scc7c1N.c16ccnn1C.C47=O.C56=O
|
CCc1ccc(C(C)(C)CNC2(c3nnnn3CC)CC(C(C)C)C2)cc1
|
CCccccCC)C)CNCcnnnn5CC)))))))CCCC)C))C4)))))))cc6
|
[C][C][C][=C][C][=C][Branch2][Ring2][C][C][Branch1][C][C][Branch1][C][C][C][N][C][Branch1][#Branch2][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch2]
|
c18ccc9cc1.C15%10CC7C1.c1%10nnnn16.C9(C)(C)C4.C7(C)C.CC8.N45.C6C
|
C[C@@]1(CNC(=O)C[C@H](C(F)F)n2cccn2)CC(F)(F)CN1C(=O)c1cocn1
|
C[C@@]CNC=O)C[C@H]CF)F))ncccn5))))))))))CCF)F)CN5C=O)ccocn5
|
[C][C@@][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C@H1][Branch1][=Branch1][C][Branch1][C][F][F][N][C][=C][C][=N][Ring1][Branch1][C][C][Branch1][C][F][Branch1][C][F][C][N][Ring2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][O][C][=N][Ring1][Branch1]
|
C[C@@]18CC(F)(F)CN14.C3(=O)C[C@@H]7C(F)F.n17cccn1.c16cocn1.C46=O.C58.N35
|
CCCCC[C@H](C)CC(=O)NC[C@H](CC(C)C)C(=O)N[C@H](C)c1cnn(C)c1
|
CCCCC[C@H]C)CC=O)NC[C@H]CCC)C)))C=O)N[C@H]C)ccnnC)c5
|
[C][C][C][C][C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1]
|
CCCCC[C@H](C)CC2=O.C4[C@H](CC(C)C)C3=O.c16cnn(C)c1.[C@H]56C.N24.N35
|
CCCOCCC(=O)N[C@@H](C)[C@H](C)NC(=O)CCOc1ccccc1[N+](=O)[O-]
|
CCCOCCC=O)N[C@@H]C)[C@H]C)NC=O)CCOcccccc6[N+]=O)[O-]
|
[C][C][C][O][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1]
|
c17ccccc1[N+](=O)[O-].C5CC2=O.[C@H]8(C)[C@@H]9C.C3(=O)CC6.CCC4.O45.N28.N39.O67
|
CC(C)[C@H](NC(=O)c1cccn2cnnc12)[C@@H](C)NC(=O)CNC(=O)C1CC1
|
CCC)[C@H]NC=O)ccccncnnc95)))))))))))[C@@H]C)NC=O)CNC=O)CCC3
|
[C][C][Branch1][C][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][N][C][=N][N][=C][Ring1][=Branch2][Ring1][Branch1][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1]
|
c1%10cccn2cnnc12.CC(C)[C@H]6[C@H]7C.C4(=O)C8.C3%10=O.C59=O.C19CC1.N36.N47.N58
|
CCN(C(=O)c1cc(OC)ccc1C)C1CCN(C(=O)[C@H]2CCCSC2)CC1
|
CCNC=O)cccOC))ccc6C))))))))CCCNC=O)[C@H]CCCSC6)))))))CC6
|
[C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C@H1][C][C][C][S][C][Ring1][=Branch1][C][C][Ring1][=C]
|
c19cc5ccc1C.C17CCN4CC1.[C@H]18CCCSC1.N367.C39=O.C48=O.CC6.O5C
|
C[C@H](C(=O)NC1CC(CCNC(=O)C23C[C@@H]4CC(C[C@H](C4)C2)O3)C1)n1cccn1
|
C[C@H]C=O)NCCCCCNC=O)CC[C@@H]CCC[C@H]C6)C8)))O6))))))))))C4))))))ncccn5
|
[C][C@H1][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][N][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][C][C][Branch1][O][C][C@H1][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][O][Ring1][#Branch2][C][Ring2][Ring1][Ring1][N][C][=C][C][=N][Ring1][Branch1]
|
C129C[C@@H]3CC(C[C@H](C3)C1)O2.C[C@@H]%10C5=O.C18CC%11C1.n1%10cccn1.C%11C7.C69=O.N58.N67
|
CC(C)(F)[C@@](C)(F)C(=O)N1CC(O)(CCNC(=O)CN2CSCC2=O)C1
|
CCC)F)[C@@]C)F)C=O)NCCO)CCNC=O)CNCSCC5=O)))))))))))C4
|
[C][C][Branch1][C][C][Branch1][C][F][C@@][Branch1][C][C][Branch1][C][F][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch1][P][C][C][N][C][=Branch1][C][=O][C][N][C][S][C][C][Ring1][Branch1][=O][C][Ring1][P]
|
CC(C)(F)[C@@](C)(F)C3=O.N13CC7(O)C1.N16CSCC1=O.C4(=O)C6.C7C5.N45
|
C[C@H](NC(=O)[C@H]1COC[C@H]1NC(=O)[C@@H]1CCCN1C)c1ncc(F)cn1
|
C[C@H]NC=O)[C@H]COC[C@H]5NC=O)[C@@H]CCCN5C)))))))))))))))cnccF)cn6
|
[C][C@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C@H1][C][O][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1]
|
c18ncc(F)cn1.[C@H]17COC[C@H]15.[C@@H]16CCCN1C.C[C@H]48.C27=O.C36=O.N24.N35
|
CCC[C@H](O)C(=O)N[C@@H](CC)CN(CC)C(=O)CSCCN(C)C
|
CCC[C@H]O)C=O)N[C@@H]CC))CNCC))C=O)CSCCNC)C
|
[C][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][C][N][Branch1][C][C][C]
|
CCC[C@H](O)C1=O.[C@@H]3(C4)CC.C2(=O)C7.N245.C8C6.N6(C)C.N13.C5C.S78
|
CC[C@H](CC(=O)N1C[C@H](O)[C@H](NC(=O)c2occ(C)c2C)C1)C(=O)OC(C)(C)C
|
CC[C@H]CC=O)NC[C@H]O)[C@H]NC=O)coccC)c5C))))))))C5)))))))C=O)OCC)C)C
|
[C][C][C@H1][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][Ring1][S][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
CC[C@H](CC4=O)C3=O.N14C[C@@H]7[C@@H](O)C1.c18occ(C)c1C.C6(C)(C)C.C58=O.N57.O36
|
C[C@H](C(=O)N1CC(C)(NC(=O)c2cc(Br)cnc2N)C1)c1ccccc1F
|
C[C@H]C=O)NCCC)NC=O)cccBr)cnc6N)))))))))C4)))))cccccc6F
|
[C][C@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][N][C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
c16cc(Br)cnc1N.c17ccccc1F.N13CC5(C)C1.C[C@@H]7C3=O.C46=O.N45
|
CCCCCCN(C)CC(=O)NC(CC)(CC)CCNC(=O)C[C@H]1CC[C@H](O)C1
|
CCCCCCNC)CC=O)NCCC))CC))CCNC=O)C[C@H]CC[C@H]O)C5
|
[C][C][C][C][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][C@H1][C][C][C@H1][Branch1][C][O][C][Ring1][=Branch1]
|
C6(CC)(CC)CC7.CCCCCC4.[C@H]18CC[C@H](O)C1.C5C2=O.C3(=O)C8.N45C.N26.N37
|
C=CC1(CN[C@]2(c3nnnn3C(C)(C)CC)CC[C@H](S(C)(=O)=O)C2)CCC1
|
C=CCCN[C@]cnnnn5CC)C)CC))))))))CC[C@H]SC)=O)=O))C5)))))))CCC4
|
[C][=C][C][Branch2][Ring2][#Branch1][C][N][C@][Branch1][P][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][C][C@H1][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring2][Ring1][Ring1][C][C][C][Ring2][Ring1][=Branch2]
|
[C@@]158CC[C@H](S(C)(=O)=O)C1.C=CC17CCC1.c18nnnn16.C6(C)(C)CC.C47.N45
|
COC(=O)C[C@H](C)C(=O)N1CCN(C(=O)C(F)(F)C2=CCOCC2)CC[C@H]1C
|
COC=O)C[C@H]C)C=O)NCCNC=O)CF)F)C=CCOCC6))))))))CC[C@H]7C
|
[C][O][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][=C][C][O][C][C][Ring1][=Branch1][C][C][C@H1][Ring2][Ring1][C][C]
|
C5(=O)C(F)(F)C1=CCOCC1.N14CCN5CC[C@H]1C.C3(=O)C[C@H](C)C4=O.CO3
|
CC(=O)CCCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1C
|
CC=O)CCCC=O)N[C@H]C)[C@@H]C)NC=O)cccc[N+]=O)[O-]))cO)c6C
|
[C][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][O][=C][Ring1][#Branch2][C]
|
c16ccc([N+](=O)[O-])c(O)c1C.CC(=O)CCCC2=O.[C@@H]4(C)[C@H]5C.C36=O.N24.N35
|
CC(F)(F)CCCCNS(=O)(=O)c1ccc(Br)cc1N1CCN(CC(N)=O)CC1
|
CCF)F)CCCCNS=O)=O)ccccBr)cc6NCCNCCN)=O)))CC6
|
[C][C][Branch1][C][F][Branch1][C][F][C][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][Ring1][#Branch2]
|
S4(=O)(=O)c1ccc(Br)cc15.CC(F)(F)CCCC2.N15CCN3CC1.C3C(N)=O.N24
|
COC1(C(=O)NC2C[C@@H]3CC(NC(=O)CNC(=O)C4CCCC4)C[C@H]3C2)CCC1
|
COCC=O)NCC[C@@H]CCNC=O)CNC=O)CCCCC5))))))))))C[C@H]5C8))))))))))CCC4
|
[C][O][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C@@H1][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C@H1][Ring1][P][C][Ring2][Ring1][Ring2][C][C][C][Ring2][Ring1][O]
|
C1%10C[C@@H]2CC%11C[C@H]2C1.C18%12CCC1.C1%13CCCC1.C6(=O)C9.C5%12=O.C7%13=O.CO8.N5%10.N6%11.N79
|
CC(C)[C@H](C)C(=O)N[C@H]1CCCN(C(=O)CCc2ccon2)[C@H]1C
|
CCC)[C@H]C)C=O)N[C@H]CCCNC=O)CCcccon5))))))))[C@H]6C
|
[C][C][Branch1][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][=C][O][N][=Ring1][Branch1][C@H1][Ring1][#C][C]
|
[C@H]15CCCN4[C@H]1C.CC(C)[C@H](C)C3=O.C4(=O)CC6.c16ccon1.N35
|
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