SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
COC(=O)c1ccc(=O)n(CN2CC[C@H](C)[C@H](C(F)(F)F)C2)n1
|
COC=O)cccc=O)nCNCC[C@H]C)[C@H]CF)F)F))C6)))))))n6
|
[C][O][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][N][C][C][C@H1][Branch1][C][C][C@H1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][O][N][=Ring2][Ring1][Ring1]
|
C5N1CC[C@H](C)[C@H]6C1.c14ccc(=O)n5n1.C6(F)(F)F.C34=O.CO3
|
Cn1cncc1CCN[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21
|
Cncncc5CCN[C@@H]CCCcc6[nH]ccccCl)cc96
|
[C][N][C][=N][C][=C][Ring1][Branch1][C][C][N][C@@H1][C][C][C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][Ring1][#Branch1]
|
N3[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21.Cn1cncc14.C4C3
|
C=CC(C)(C)C(=O)NC[C@@H](NC(=O)C1(O)COC1)c1ccc(C(C)C)cc1
|
C=CCC)C)C=O)NC[C@@H]NC=O)CO)COC4))))))ccccCC)C))cc6
|
[C][=C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][O][C][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2]
|
C=CC(C)(C)C2=O.c17ccc8cc1.C16(O)COC1.C4[C@@H]57.C36=O.C8(C)C.N24.N35
|
Cc1nonc1CNC(=O)[C@]1(C)CN(C(=O)c2ccc3[nH]ccc3n2)C[C@H]1C
|
Ccnonc5CNC=O)[C@]C)CNC=O)cccc[nH]ccc5n9))))))))))C[C@H]5C
|
[C][C][=N][O][N][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=N][Ring1][=Branch2][C][C@H1][Ring1][P][C]
|
c17ccc2[nH]ccc2n1.[C@@]18(C)CN5C[C@H]1C.Cc1nonc19.C48=O.C57=O.C69.N46
|
CC[C@@H](C(=O)N1CC[C@@H](C(C)(C)NC(=O)CCCOC)C1)c1c(C)noc1C
|
CC[C@@H]C=O)NCC[C@@H]CC)C)NC=O)CCCOC))))))))C5))))))ccC)noc5C
|
[C][C][C@@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][O][C][C][Ring1][S][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C]
|
c17c(C)noc1C.CC[C@H]7C2=O.N12CC[C@@H]6C1.C3(=O)CCC4.C56(C)C.N35.O4C
|
C=C(C)C[C@@H](OC)C(=O)NOCC(=O)NC1(C)CC(F)(F)C1
|
C=CC)C[C@@H]OC))C=O)NOCC=O)NCC)CCF)F)C4
|
[C][=C][Branch1][C][C][C][C@@H1][Branch1][Ring1][O][C][C][=Branch1][C][=O][N][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1]
|
C=C(C)C[C@@H]3C(=O)NO4.C15(C)CC(F)(F)C1.C4C2=O.O3C.N25
|
CC[C@](C)(O)C(=O)N(Cc1scnc1C)C[C@@H]1CCN(C(=O)C(N)=O)C1
|
CC[C@]C)O)C=O)NCcscnc5C)))))))C[C@@H]CCNC=O)CN)=O)))C5
|
[C][C][C@][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][S][C][=N][C][=Ring1][Branch1][C][C][C@@H1][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][N][=O][C][Ring1][#Branch2]
|
CC[C@](C)(O)C2=O.c16scnc1C.[C@@H]17CCN3C1.C3(=O)C(N)=O.N245.C46.C57
|
Cc1nonc1CC(=O)N1CCC[C@H]1C1(C(=O)N(C)Cc2nc(=O)o[nH]2)CC1
|
Ccnonc5CC=O)NCCC[C@H]5CC=O)NC)Ccnc=O)o[nH]5))))))))CC3
|
[C][C][=N][O][N][=C][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][C][=Branch1][C][=O][O][NH1][Ring1][=Branch1][C][C][Ring1][=C]
|
Cc1nonc17.N13CCC[C@H]19.c18nc(=O)o[nH]1.C7C3=O.C169CC1.C46=O.N45C.C58
|
CCN1C[C@H](NC(=O)CCN(OC)C(=O)[C@@H](OC)C(C)(C)C)CCC1=O
|
CCNC[C@H]NC=O)CCNOC))C=O)[C@@H]OC))CC)C)C)))))))))CCC6=O
|
[C][C][N][C][C@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C][N][Branch1][Ring1][O][C][C][=Branch1][C][=O][C@@H1][Branch1][Ring1][O][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring2][Ring1][#Branch1][=O]
|
C2(=O)CCN(OC)C(=O)[C@@H]3C(C)(C)C.N15C[C@H]4CCC1=O.CC5.N24.O3C
|
CO[C@H]1CN(C(=O)c2csnc2C)CC[C@H]1NC(=O)Cc1ccc(O)cc1
|
CO[C@H]CNC=O)ccsnc5C)))))))CC[C@H]6NC=O)CccccO)cc6
|
[C][O][C@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][S][N][=C][Ring1][Branch1][C][C][C][C@H1][Ring1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
[C@H]15CN3CC[C@H]16.c18ccc(O)cc1.c17csnc1C.C4(=O)C8.C37=O.CO5.N46
|
CN(CC1(NC(=O)c2ccc3c(c2)OCO3)CC1)C(=O)c1cccc(C2CC2)c1
|
CNCCNC=O)cccccc6)OCO5))))))))))CC3))))C=O)cccccCCC3)))c6
|
[C][N][Branch2][Ring1][=C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][=Branch2]
|
c18ccc2c(c1)OCO2.c19cccc%11c1.C17%10CC1.CN56.C48=O.C59=O.C1%11CC1.C6%10.N47
|
CC=CCC(=O)N1CCCCC[C@H](NC(=O)CCS(=O)(=O)N(C)C)C1
|
CC=CCC=O)NCCCCC[C@H]NC=O)CCS=O)=O)NC)C)))))))C8
|
[C][C][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring2][Ring1][Ring1]
|
N12CCCCC[C@H]5C1.C3(=O)CCS4(=O)=O.C=6CC2=O.N4(C)C.CC=6.N35
|
CC(C)N(C)CC(=O)NC[C@@]1(F)CCN(C(=O)[C@H](C)c2ccccc2Cl)C1
|
CCC)NC)CC=O)NC[C@@]F)CCNC=O)[C@H]C)cccccc6Cl)))))))))C5
|
[C][C][Branch1][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@@][Branch1][C][F][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring1][P]
|
[C@]18(F)CCN4C1.c19ccccc1Cl.C4(=O)[C@@H]9C.C6C3=O.CC5C.N56C.N37.C78
|
Cc1cc(F)ccc1C(=O)N[C@H](C)CCN(C)C(=O)CSCc1cscn1
|
CcccF)ccc6C=O)N[C@H]C)CCNC)C=O)CSCccscn5
|
[C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][C][=C][S][C][=N][Ring1][Branch1]
|
Cc1cc(F)ccc18.[C@@H]4(C)CC5.c19cscn1.C3(=O)C6.C28=O.N35C.N24.S67.C79
|
Cc1ccc(SCC(=O)N[C@@](C)(CNC(=O)COCCF)C2CC2)cc1
|
CccccSCC=O)N[C@@]C)CNC=O)COCCF))))))))CCC3))))))))cc6
|
[C][C][=C][C][=C][Branch2][Ring1][=C][S][C][C][=Branch1][C][=O][N][C@@][Branch1][C][C][Branch1][N][C][N][C][=Branch1][C][=O][C][O][C][C][F][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]
|
Cc1ccc%11cc1.[C@@]7%10(C)C8.C9C3=O.C4(=O)C5.C6CF.C1%10CC1.S9%11.N37.N48.O56
|
C=CCCC[C@@H](C(=O)NC1(C)CC1)N(C)C[C@H]1C[C@@H](O)C1
|
C=CCCC[C@@H]C=O)NCC)CC3)))))NC)C[C@H]C[C@@H]O)C4
|
[C][=C][C][C][C][C@@H1][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][Ring2][N][Branch1][C][C][C][C@H1][C][C@@H1][Branch1][C][O][C][Ring1][Branch1]
|
C=CCCC[C@H]3C2=O.[C@H]16C[C@@H](O)C1.C14(C)CC1.N35C.N24.C56
|
CNc1ccc(C(=O)N[C@H](CCNC(=O)CN2CCCS2(=O)=O)C(C)C)cc1F
|
CNccccC=O)N[C@H]CCNC=O)CNCCCS5=O)=O)))))))))))CC)C)))))cc6F
|
[C][N][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch2][F]
|
c18ccc9cc1F.[C@@H]5(CC6)C(C)C.N17CCCS1(=O)=O.C4(=O)C7.C39=O.CN8.N35.N46
|
C[C@H]1CN(C(=O)CCCCNC(N)=O)C[C@@H]1CNC(=O)CCCc1ccccc1
|
C[C@H]CNC=O)CCCCNCN)=O))))))))C[C@@H]5CNC=O)CCCcccccc6
|
[C][C@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][C][N][C][Branch1][C][N][=O][C][C@@H1][Ring1][#C][C][N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
C[C@H]1CN2C[C@@H]17.C2(=O)CCCC5.C4(=O)CCC8.c18ccccc1.C3(N)=O.N35.C67.N46
|
C=CC[C@@H](CNC(=O)/C=C(\C)COC)NC(=O)c1cc(C)nn1C1CCC1
|
C=CC[C@@H]CNC=O)/C=C\C)COC))))))))NC=O)cccC)nn5CCCC4
|
[C][=C][C][C@@H1][Branch1][#C][C][N][C][=Branch1][C][=O][/C][=C][Branch1][C][\C][C][O][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][C][C][C][Ring1][Ring2]
|
c17cc(C)nn19.C=CC[C@H]5C6.C2(=O)C=8.C=8(C)C4.C19CCC1.C37=O.N26.O4C.N35
|
CCN(C(=O)C1CN(C)CCN(C)C1)[C@@H]1CCCN(C(=O)Cc2cc(C)on2)C1
|
CCNC=O)CCNC)CCNC)C7))))))))[C@@H]CCCNC=O)CcccC)on5)))))))C6
|
[C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][C][N][Branch1][C][C][C][Ring1][=Branch2][C@@H1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][Ring1][#C]
|
C17CN(C)CCN(C)C1.[C@@H]16CCCN4C1.c18cc(C)on1.C4(=O)C8.N356.C37=O.CC5
|
C[C@@H](O)CC1CCN(c2ccnc(N3CCn4cc(C(F)(F)F)nc4C3)n2)CC1
|
C[C@@H]O)CCCCNcccncNCCnccCF)F)F))nc5C9)))))))))n6))))))CC6
|
[C][C@@H1][Branch1][C][O][C][C][C][C][N][Branch2][Ring2][Ring2][C][=C][C][=N][C][Branch2][Ring1][Branch2][N][C][C][N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][=Branch2][C][Ring1][=N][=N][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2]
|
N16CCn2cc7nc2C1.C18CCN5CC1.c15ccnc6n1.C[C@@H](O)C8.C7(F)(F)F
|
C#C[C@]1(O)C[C@@H](C(=O)N2CCN(C(=O)CN(C)CC(=O)NC(C)C)C[C@H]2CC)C1
|
C#C[C@]O)C[C@@H]C=O)NCCNC=O)CNC)CC=O)NCC)C))))))))C[C@H]6CC)))))))))C4
|
[C][#C][C@][Branch1][C][O][C][C@@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C@H1][Ring2][Ring1][C][C][C][C][Ring2][Ring1][O]
|
N13CCN4C[C@H]1%10.C#C[C@]1(O)C[C@@H]9C1.C4(=O)C6.C7C5=O.C39=O.N67C.C8(C)C.N58.C%10C
|
CCN1C[C@H](C)[C@H](NC(=O)c2cncc(CNC(=O)c3cccc(F)c3N)c2)C1
|
CCNC[C@H]C)[C@H]NC=O)ccnccCNC=O)cccccF)c6N))))))))))c6))))))))C5
|
[C][C][N][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][C][C][Ring2][Ring1][O]
|
c1%10cccc(F)c1N.N16C[C@@H]8[C@@H](C)C1.c19cncc%11c1.C49=O.C5%10=O.CC6.N48.C7%11.N57
|
O=C(C[C@@H](n1ccnc1)C(F)(F)F)N1CC[C@H](NC(=O)[C@H]2C[C@@]3(CC3(F)F)C2)C1
|
O=CC[C@@H]nccnc5)))))CF)F)F))))NCC[C@H]NC=O)[C@H]C[C@@]CC3F)F)))C4))))))C5
|
[O][=C][Branch2][Ring1][Ring2][C][C@@H1][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][N][C][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][C][C@@][Branch1][=Branch2][C][C][Ring1][Ring1][Branch1][C][F][F][C][Ring1][Branch2][C][Ring1][S]
|
O=C4C[C@@H]8C(F)(F)F.[C@H]17C[C@@]2(CC2(F)F)C1.N14CC[C@H]6C1.n18ccnc1.C57=O.N56
|
CC(C)CC[C@H](F)C(=O)NC[C@H]1[C@@H](C)CCN1C(=O)COCCCN=[N+]=[N-]
|
CCC)CC[C@H]F)C=O)NC[C@H][C@@H]C)CCN5C=O)COCCCN=[N+]=[N-]
|
[C][C][Branch1][C][C][C][C][C@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C@H1][C@@H1][Branch1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][C][C][N][=N+1][=N-1]
|
CC(C)CC[C@H](F)C2=O.[C@H]17[C@@H](C)CCN13.C5CCN=[N+]=[N-].C3(=O)C4.N26.C67.O45
|
C=CC[C@H](C)C(=O)NC12CC(NC(=O)C(=O)c3cc(Cl)cc(Cl)c3)(C1)C2
|
C=CC[C@H]C)C=O)NCCCNC=O)C=O)cccCl)ccCl)c6)))))))))C4)C4
|
[C][=C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Branch1][Ring2][C][Ring1][P][C][Ring2][Ring1][C]
|
c18cc(Cl)cc(Cl)c1.C=CC[C@H](C)C4=O.C126CC7(C1)C2.C5(=O)C8=O.N46.N57
|
CCSCCC(=O)N[C@H]1CCC[C@H]1NC(=O)CCOc1ccc(CC)cc1
|
CCSCCC=O)N[C@H]CCC[C@H]5NC=O)CCOccccCC))cc6
|
[C][C][S][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][Branch1][Ring1][C][C][C][=C][Ring1][Branch2]
|
c15ccc%10cc1.[C@H]18CCC[C@H]19.C7CC2=O.C3(=O)CC4.CC6.S67.N28.N39.O45.C%10C
|
CO[C@H](C)C(=O)N[C@](C)(CO)CNC(=O)c1cnc2c(c1)NC(=O)CN2C
|
CO[C@H]C)C=O)N[C@]C)CO))CNC=O)ccnccc6)NC=O)CN6C
|
[C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@][Branch1][C][C][Branch1][Ring1][C][O][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][Ring1][Branch2][C]
|
c18cnc2c(c1)NC(=O)CN2C.[C@@]6(C)(C7)CO.[C@@H]5(C)C3=O.C48=O.CO5.N36.N47
|
Cc1cnc(C(=O)N2CCN(C(=O)c3cnn4c3C(=O)NCC4)C[C@H]2C)cc1Cl
|
CccncC=O)NCCNC=O)ccnnc5C=O)NCC6))))))))))C[C@H]6C))))))))cc6Cl
|
[C][C][=C][N][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][=N][N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Ring1][#Branch1][C][C@H1][Ring2][Ring1][C][C][C][=C][Ring2][Ring1][O][Cl]
|
c18cnn2c1C(=O)NCC2.Cc1cnc7cc1Cl.N15CCN6C[C@H]1C.C57=O.C68=O
|
CC1(C)C[C@]1(NC(=O)COC1CC=CC1)C(=O)N1CC(c2cccnc2)C1
|
CCC)C[C@]3NC=O)COCCC=CC5)))))))))C=O)NCCccccnc6))))))C4
|
[C][C][Branch1][C][C][C][C@][Ring1][Ring2][Branch1][#C][N][C][=Branch1][C][=O][C][O][C][C][C][=C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2]
|
CC1(C)C[C@]178.c19cccnc1.C16CC=CC1.N14CC9C1.C3(=O)C5.C48=O.N37.O56
|
CC[C@H](C)CCCC(=O)N1CCC(C2CN(C(=O)[C@@H](C)CC(N)=O)C2)CC1
|
CC[C@H]C)CCCC=O)NCCCCCNC=O)[C@@H]C)CCN)=O)))))C4))))CC6
|
[C][C][C@H1][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][C][Branch1][C][N][=O][C][Ring1][N][C][C][Ring2][Ring1][C]
|
N13CCC(C2CN4C2)CC1.CC[C@H](C)CCCC3=O.C4(=O)[C@@H](C)CC(N)=O
|
Cc1ncc(C(=O)NCC=CCNC(=O)c2ccc([S@@+]([O-])C(C)C)cc2)s1
|
CcnccC=O)NCC=CCNC=O)cccc[S@@+][O-])CC)C)))cc6))))))))))))))s5
|
[C][C][=N][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][S@@+1][Branch1][C][O-1][C][Branch1][C][C][C][C][=C][Ring1][O][S][Ring2][Ring1][#Branch2]
|
c18ccc([S@@+]([O-])C(C)C)cc1.Cc1ncc7s1.C37=O.C5C=9.C=9C6.C48=O.N35.N46
|
CC(=O)c1cncc(N2CCC[C@@H](c3nnco3)C2)c1
|
CC=O)ccnccNCCC[C@@H]cnnco5)))))C6))))))c6
|
[C][C][=Branch1][C][=O][C][=C][N][=C][C][Branch2][Ring1][C][N][C][C][C][C@@H1][Branch1][Branch2][C][=N][N][=C][O][Ring1][Branch1][C][Ring1][O][=C][Ring1][P]
|
c15cncc4c1.N14CCC[C@@H]6C1.c16nnco1.CC5=O
|
CCCCCO[C@H]1CC[C@H](C(=O)N2CCN(C(=O)C=C(C)C)CC2)CC1
|
CCCCCO[C@H]CC[C@H]C=O)NCCNC=O)C=CC)C))))CC6)))))))CC6
|
[C][C][C][C][C][O][C@H1][C][C][C@H1][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][C][C][Ring1][N][C][C][Ring2][Ring1][Ring2]
|
[C@H]16CC[C@H]7CC1.N13CCN4CC1.CCCCC5.C4(=O)C=8.C37=O.C=8(C)C.O56
|
CCN1CCC(C(=O)NCC(=O)NCC(=O)Nc2ccc(C)cc2)CC1
|
CCNCCCC=O)NCC=O)NCC=O)NccccC)cc6))))))))))))))CC6
|
[C][C][N][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch2]
|
N16CCC%10CC1.c19ccc(C)cc1.C7C4=O.C8C5=O.C3%10=O.CC6.N37.N48.N59
|
COCc1nc(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2N(C(=O)c2cccc(F)c2)C3)n[nH]1
|
COCcncC=O)NC[C@@H]C[C@H]CC[C@H]6NC=O)cccccF)c6)))))))C6)))))))))))n[nH]5
|
[C][O][C][C][=N][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][#C][=N][NH1][Ring2][Ring1][#Branch2]
|
[C@@H]1%11C[C@H]2CC[C@H]1N5C2.c19cccc(F)c1.c1%10nc8n[nH]1.C48=O.C59=O.CO6.C6%10.N47.C7%11
|
CC[C@H](C)C[C@@H](C)N(C)C(=O)c1n[nH]c2c1CN(C(=O)Cc1cn[nH]c1)C2
|
CC[C@H]C)C[C@@H]C)NC)C=O)cn[nH]cc5CNC=O)Cccn[nH]c5)))))))C5
|
[C][C][C@H1][Branch1][C][C][C][C@@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][=N][NH1][C][=Ring1][Branch1][C][Ring1][=N]
|
c16n[nH]c2c1CN4C2.CC[C@H](C)C[C@H]5C.c17cn[nH]c1.C4(=O)C7.N35C.C36=O
|
CO[C@@H](C(=O)NCC1CCOCC1)C1CN(C(=O)C2(C(C)(F)F)CC2)C1
|
CO[C@@H]C=O)NCCCCOCC6)))))))))CCNC=O)CCC)F)F))CC3))))C4
|
[C][O][C@@H1][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][O][C][C][Ring1][=Branch1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][F][F][C][C][Ring1][#Branch1][C][Ring1][=N]
|
C19CCOCC1.[C@@H]58C3=O.C18CN4C1.C17%10CC1.C%10(C)(F)F.C47=O.CO5.N36.C69
|
CC(C)(C)[C@@H](NC(=O)[C@@H](CO)NC(N)=O)C(=O)N1CCOC[C@](C)(O)C1
|
CCC)C)[C@@H]NC=O)[C@@H]CO))NCN)=O))))))C=O)NCCOC[C@]C)O)C7
|
[C][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C@@H1][Branch1][Ring1][C][O][N][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][O][C][C@][Branch1][C][C][Branch1][C][O][C][Ring1][=Branch2]
|
N14CCOC[C@](C)(O)C1.CC(C)(C)[C@@H]5C4=O.C2(=O)[C@H]6CO.C3(N)=O.N25.N36
|
CCn1nncc1C(=O)N1CC[C@H](NC(=O)[C@H]2[C@H]3[C@H]4C[C@@H]2C(=O)[C@H]43)[C@H](C)C1
|
CCnnncc5C=O)NCC[C@H]NC=O)[C@H][C@H][C@H]C[C@@H]5C=O)[C@H]56)))))))))[C@H]C)C6
|
[C][C][N][N][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][C@H1][C@H1][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Ring1][=Branch1][Ring1][#Branch1][C@H1][Branch1][C][C][C][Ring2][Ring1][C]
|
N15CC[C@H]7[C@H](C)C1.[C@H]19[C@H]2[C@H]3C[C@@H]1C(=O)[C@H]32.n1%10nncc18.C58=O.C69=O.CC%10.N67
|
C#CCC[C@H](NC(=O)[C@@H](C(C)C)C1CCC1)C(=O)NCCOCCN=[N+]=[N-]
|
C#CCC[C@H]NC=O)[C@@H]CC)C))CCCC4)))))))C=O)NCCOCCN=[N+]=[N-]
|
[C][#C][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][O][C][C][N][=N+1][=N-1]
|
C#CCC[C@H]6C3=O.C2(=O)[C@H]8C(C)C.C5CN=[N+]=[N-].C18CCC1.C7C4.N26.N37.O45
|
Cc1nnn(CC(=O)NC[C@@]2(C)CC(F)(F)CN2C(=O)c2cc(C3CC3)no2)n1
|
CcnnnCC=O)NC[C@@]C)CCF)F)CN5C=O)cccCCC3)))no5)))))))))))))))n5
|
[C][C][N][=N][N][Branch2][Ring2][#Branch2][C][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][N][=Ring2][Ring1][N]
|
[C@]19(C)CC(F)(F)CN15.Cc1nnn8n1.c17cc%10no1.C8C4=O.C57=O.C1%10CC1.N46.C69
|
COc1ccnc(C(=O)N[C@H]2C[C@H]2CNC(=O)C(C)(C)CCSC)c1C
|
COcccncC=O)N[C@H]C[C@H]3CNC=O)CC)C)CCSC)))))))))))))c6C
|
[C][O][C][=C][C][=N][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C@H1][C][C@H1][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][S][C][=C][Ring2][Ring1][#Branch1][C]
|
c15ccnc9c1C.C4(=O)C(C)(C)CC7.[C@H]18C[C@H]1%10.C39=O.CO5.N38.C6%10.N46.S7C
|
C#CC1(C(=O)N2CCC[C@@H]([C@H](C)NC(=O)CCCn3cccc3)C2)CCCC1
|
C#CCC=O)NCCC[C@@H][C@H]C)NC=O)CCCncccc5)))))))))))C6)))))))CCCC5
|
[C][#C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][Ring2][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][C][=C][C][=C][Ring1][Branch1][C][Ring2][Ring1][Ring1][C][C][C][C][Ring2][Ring1][#Branch2]
|
C#CC17CCCC1.N14CCC[C@@H]9C1.C5(=O)CCC8.n18cccc1.C47=O.[C@@H]69C.N56
|
Cc1nn(C)c(C(=O)N2CCC3(CC2)C[C@@H](C(=O)N2CCO[C@H](C)C2)CO3)c1F
|
CcnnC)cC=O)NCCCCC6))C[C@@H]C=O)NCCO[C@H]C)C6)))))))CO5)))))))))c5F
|
[C][C][=N][N][Branch1][C][C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C@@H1][Branch1][S][C][=Branch1][C][=O][N][C][C][O][C@H1][Branch1][C][C][C][Ring1][#Branch1][C][O][Ring1][S][=C][Ring2][Ring1][O][F]
|
N14CCC2(CC1)C[C@@H]7CO2.Cc1nn(C)c6c1F.N15CCO[C@H](C)C1.C46=O.C57=O
|
O=C(N[C@H]1C[C@H]1CNC(=O)c1cn(-c2ccccc2)cn1)c1ccc[n+]([O-])c1
|
O=CN[C@H]C[C@H]3CNC=O)ccn-cccccc6))))))cn5))))))))))))cccc[n+][O-])c6
|
[O][=C][Branch2][Ring1][=C][N][C@H1][C][C@H1][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][O][C][=C][C][=C][N+1][Branch1][C][O-1][=C][Ring1][#Branch1]
|
c18ccc[n+]([O-])c1.c17cn%10cn1.c1%10ccccc1.[C@H]16C[C@H]19.O=C38.C47=O.N36.C59.N45
|
CCCOCC(=O)N1CCC[C@@](C)(NC(=O)c2nc3ncc(Br)cn3n2)C1
|
CCCOCC=O)NCCC[C@@]C)NC=O)cncnccBr)cn6n9)))))))))))C6
|
[C][C][C][O][C][C][=Branch1][C][=O][N][C][C][C][C@@][Branch1][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][=C][N][=C][C][Branch1][C][Br][=C][N][Ring1][#Branch1][N][=Ring1][#Branch2][C][Ring2][Ring1][Ring2]
|
c19nc2ncc(Br)cn2n1.N14CCC[C@]8(C)C1.C7C4=O.CCC6.C59=O.O67.N58
|
CS(=O)(=O)CCCc1cn(CC(=O)N[C@@H](CC(=O)O)Cc2ccccc2F)nn1
|
CS=O)=O)CCCccnCC=O)N[C@@H]CC=O)O)))Ccccccc6F))))))))))))nn5
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][=C][N][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=N][Ring2][Ring1][=Branch1]
|
CS(=O)(=O)CCC6.[C@@H]4(C7)CC(=O)O.c17ccccc1F.c16cn5nn1.C5C3=O.N34
|
CC(C)CO[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O)C(C)C
|
CCC)CO[C@H]C=O)NCC[C@H]CC[C@@H]C8)N5C=O)CN)=O))))))))))))CC)C
|
[C][C][Branch1][C][C][C][O][C@H1][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][N][=O][C][Branch1][C][C][C]
|
N13CC[C@H]2CC[C@@H](C1)N24.[C@@H]6(C3=O)C(C)C.C4(=O)C(N)=O.CC(C)C5.O56
|
Cc1cc(O)cc(=O)n1CC(=O)N1CCC[C@H]1C(C)(C)CNC(=O)c1cnc[nH]1
|
CcccO)cc=O)n6CC=O)NCCC[C@H]5CC)C)CNC=O)ccnc[nH]5
|
[C][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][NH1][Ring1][Branch1]
|
Cc1cc(O)cc(=O)n16.N12CCC[C@H]17.C7(C)(C)C4.c15cnc[nH]1.C6C2=O.C35=O.N34
|
CCc1ncncc1C(=O)N1C[C@@H](F)[C@H](N(C)C(=O)c2ccc(C(F)F)cn2)C1
|
CCcncncc6C=O)NC[C@@H]F)[C@H]NC)C=O)ccccCF)F))cn6))))))))C5
|
[C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][F][C@H1][Branch2][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][C][=N][Ring1][=Branch2][C][Ring2][Ring1][Ring1]
|
c18ncncc17.N13C[C@@H]5[C@H](F)C1.c16ccc9cn1.C37=O.N45C.C46=O.C9(F)F.CC8
|
COCCCNC(=O)[C@H]([C@H]1CC=CCC1)N1CC[C@H](CC(F)(F)F)C1
|
COCCCNC=O)[C@H][C@H]CC=CCC6))))))NCC[C@H]CCF)F)F)))C5
|
[C][O][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C@H1][C][C][=C][C][C][Ring1][=Branch1][N][C][C][C@H1][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2]
|
[C@H]16CC=CCC1.N15CC[C@H]7C1.C2(=O)[C@@H]56.C7C(F)(F)F.C3CC4.CO3.N24
|
CC(C)(C)CC(=O)N1CCC[C@](O)(CNC(=O)c2ocnc2C2CCC2)CC1
|
CCC)C)CC=O)NCCC[C@]O)CNC=O)cocnc5CCCC4))))))))))))CC7
|
[C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@][Branch1][C][O][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][O][C][=N][C][=Ring1][Branch1][C][C][C][C][Ring1][Ring2][C][C][Ring2][Ring1][Branch1]
|
N13CCC[C@@]7(O)CC1.CC(C)(C)CC3=O.c16ocnc18.C18CCC1.C46=O.C57.N45
|
CCN1CCC(C(=O)N2CC[C@H](C(=O)N(C)CCC(F)(F)F)[C@H](O)C2)CC1
|
CCNCCCC=O)NCC[C@H]C=O)NC)CCCF)F)F))))))[C@H]O)C6)))))))CC6
|
[C][C][N][C][C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C@H1][Branch1][C][O][C][Ring1][P][C][C][Ring2][Ring1][=Branch2]
|
N13CC[C@H]8[C@H](O)C1.N15CCC7CC1.C6CC(F)(F)F.C37=O.C48=O.N46C.CC5
|
Cc1nsc(CN(C)[C@@H](CCC2(C#N)CCC2)C(=O)NC2CCCC2)n1
|
CcnscCNC)[C@@H]CCCC#N))CCC4))))))C=O)NCCCCC5))))))))))n5
|
[C][C][=N][S][C][Branch2][Ring1][P][C][N][Branch1][C][C][C@@H1][Branch1][=N][C][C][C][Branch1][Ring1][C][#N][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=N][Ring2][Ring1][=Branch2]
|
[C@H]5(CC8)C3=O.Cc1nsc7n1.C18(C#N)CCC1.C16CCCC1.N45C.C47.N36
|
CC[C@@H](C)CONC(=O)C12CC(C)(CN1C(=O)COC1CC1)C2
|
CC[C@@H]C)CONC=O)CCCC)CN5C=O)COCCC3))))))))C4
|
[C][C][C@@H1][Branch1][C][C][C][O][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][S][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][C][C][Ring1][Ring1][C][Ring1][=C]
|
C127CC(C)(CN13)C2.CC[C@@H](C)C4.O4NC7=O.C3(=O)C5.C16CC1.O56
|
CS[C@@H](C(=O)N1Cc2nccn2C[C@H](NC(=O)c2cc(C(N)=O)[nH]n2)C1)C1CC1
|
CS[C@@H]C=O)NCcnccn5C[C@H]NC=O)cccCN)=O))[nH]n5)))))))C%10)))))))))))CCC3
|
[C][S][C@@H1][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][=N][C][=C][N][Ring1][Branch1][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][NH1][N][=Ring1][Branch2][C][Ring2][Ring1][Branch1][C][C][C][Ring1][Ring1]
|
N13Cc2nccn2C[C@H]6C1.c17cc8[nH]n1.[C@@H]59C3=O.C47=O.C8(N)=O.C19CC1.CS5.N46
|
CN1CCC[C@@H]1/C=C/C(=O)NC[C@@](C)(F)CNC(=O)C[C@@H]1CCC2(CCC2)O1
|
CNCCC[C@@H]5/C=C/C=O)NC[C@@]C)F)CNC=O)C[C@@H]CCCCCC4)))O5
|
[C][N][C][C][C][C@@H1][Ring1][Branch1][/C][=C][/C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][Branch1][C][F][C][N][C][=Branch1][C][=O][C][C@@H1][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][O][Ring1][Branch2]
|
[C@@H]18CCC2(CCC2)O1.CN1CCC[C@@H]1C=7.C5[C@@](C)(F)C6.C=7C3=O.C4(=O)C8.N35.N46
|
CC(=O)c1c(Cl)ncnc1N[C@H](CCNC(=O)Cn1nccn1)C(C)C
|
CC=O)ccCl)ncnc6N[C@H]CCNC=O)Cnnccn5))))))))))CC)C
|
[C][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][N][=C][N][=C][Ring1][#Branch1][N][C@H1][Branch1][S][C][C][N][C][=Branch1][C][=O][C][N][N][=C][C][=N][Ring1][Branch1][C][Branch1][C][C][C]
|
c16c5ncnc1Cl.[C@@H]3(CC4)C(C)C.n17nccn1.C2(=O)C7.CC6=O.N35.N24
|
C#CC[C@@]1(C(=O)N2CC(C)(C)[C@@H]2C2CC2)CCN(C(=O)CCc2nc[nH]n2)C1
|
C#CC[C@@]C=O)NCCC)C)[C@@H]4CCC3))))))))CCNC=O)CCcnc[nH]n5))))))))C5
|
[C][#C][C][C@@][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][N][=C][NH1][N][=Ring1][Branch1][C][Ring2][Ring1][=Branch2]
|
[C@@]157CCN4C1.N13CC(C)(C)[C@@H]18.C4(=O)CC6.c16nc[nH]n1.C#CC7.C35=O.C18CC1
|
Cc1cc(C(=O)N[C@]2(C(=O)NCC(C)(C)F)CCC[C@H]2C)co1
|
CcccC=O)N[C@]C=O)NCCC)C)F)))))CCC[C@H]5C))))))))co5
|
[C][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@][Branch1][#C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][F][C][C][C][C@H1][Ring1][=N][C][=C][O][Ring2][Ring1][=Branch1]
|
[C@@]157CCC[C@H]1C.Cc1cc8co1.C6C(C)(C)F.C38=O.C47=O.N35.N46
|
O=C(NC[C@@]1(C2CC2)CCCO1)[C@@H]1CN(C(=O)[C@H]2CCC[C@H]2F)CC12CCC2
|
O=CNC[C@@]CCC3)))CCCO5)))))))[C@@H]CNC=O)[C@H]CCC[C@H]5F)))))))CC5CCC4
|
[O][=C][Branch1][P][N][C][C@@][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][O][Ring1][Branch2][C@@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C@H1][C][C][C][C@H1][Ring1][Branch1][F][C][C][Ring1][=N][C][C][C][Ring1][Ring2]
|
[C@@H]16CN4CC12CCC2.[C@]189CCCO1.[C@H]17CCC[C@H]1F.O=C36.C19CC1.C47=O.N35.C58
|
Cn1cnnc1CC(=O)N1CC2=C(C1)CN(C(=O)c1nccn1C)C2
|
Cncnnc5CC=O)NCC=CC5)CNC=O)cnccn5C)))))))C5
|
[C][N][C][=N][N][=C][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][=N][C][=C][N][Ring1][Branch1][C][C][Ring1][=C]
|
N13CC2=C(C1)CN4C2.Cn1cnnc16.c15nccn1C.C6C3=O.C45=O
|
CN1CCO[C@H](C(=O)N2CC[C@](F)(CNC(=O)c3cc(=O)cc(Cl)[nH]3)C2)C1
|
CNCCO[C@H]C=O)NCC[C@]F)CNC=O)ccc=O)ccCl)[nH]6)))))))))C5))))))C6
|
[C][N][C][C][O][C@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][F][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][NH1][Ring1][Branch2][C][Ring2][Ring1][C][C][Ring2][Ring1][#Branch2]
|
c18cc(=O)cc(Cl)[nH]1.CN1CCO[C@H]7C1.N14CC[C@@]9(F)C1.C47=O.C58=O.C69.N56
|
CO[C@@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3C[C@H]4CN(C(=O)C(Br)=C(C)C)[C@@H]2[C@H]4C3)C1
|
CO[C@@H]CCC[C@H]C=O)N[C@@H][C@H]C[C@H]CNC=O)CBr)=CC)C))))[C@@H]7[C@H]5C8)))))))))))C6
|
[C][O][C@@H1][C][C][C][C@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@@H1][C@H1][C][C@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][Branch1][C][Br][=C][Branch1][C][C][C][C@@H1][Ring1][=C][C@H1][Ring1][N][C][Ring1][#C][C][Ring2][Ring1][=Branch2]
|
[C@@H]18[C@H]2C[C@H]3CN6[C@@H]1[C@H]3C2.[C@@H]17CCC[C@H]9C1.C6(=O)C=%10Br.C59=O.C=%10(C)C.CO7.N58
|
CCC(CC)(CNC(=O)[C@@H](C)OCCN(C)C)NC(=O)C1C=CC=CC=C1
|
CCCCC))CNC=O)[C@@H]C)OCCNC)C)))))))))NC=O)CC=CC=CC=C7
|
[C][C][C][Branch1][Ring1][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][O][C][C][N][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][#Branch1]
|
CCC6(C7)CC.C19C=CC=CC=C1.C2(=O)[C@H]4C.C5C8.N8(C)C.C39=O.N27.O45.N36
|
CO[C@H](C)CCC(=O)N[C@H](C)CC1CN(C(=O)c2c(C)[nH]cc([N+](=O)[O-])c2=O)C1
|
CO[C@H]C)CCC=O)N[C@H]C)CCCNC=O)ccC)[nH]cc[N+]=O)[O-]))c6=O))))))))C4
|
[C][O][C@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Ring1][#Branch2][=O][C][Ring1][P]
|
c17c(C)[nH]cc([N+](=O)[O-])c1=O.[C@@H]5(C)CCC3=O.C18CN4C1.[C@@H]6(C)C8.C47=O.CO5.N36
|
CNc1ccccc1C(=O)N(C)Cc1ccc(CNC(=O)C(C)(C)[C@@H](C)O)cc1
|
CNcccccc6C=O)NC)CccccCNC=O)CC)C)[C@@H]C)O))))))cc6
|
[C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][C][C][O][C][=C][Ring1][S]
|
C3(=O)C(C)(C)[C@@H](C)O.c16ccccc17.c18ccc9cc1.C27=O.N24C.CN6.C48.C59.N35
|
CCOc1nc(N2CC[C@@](CF)(NC(=O)c3cnc(F)c(F)c3)C2)ncc1C
|
CCOcncNCC[C@@]CF))NC=O)ccncF)cF)c6))))))))C5)))))ncc6C
|
[C][C][O][C][=N][C][Branch2][Ring2][Ring1][N][C][C][C@@][Branch1][Ring1][C][F][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring2][Ring1][C][=N][C][=C][Ring2][Ring1][Branch2][C]
|
c16nc8ncc1C.c19cnc(F)c(F)c1.N18CC[C@]7%10C1.C49=O.CC5.O56.C%10F.N47
|
CCc1cc(C)c(C(=O)N2CCN(C(=O)C=Cc3cnc(O)nc3O)C[C@@H]2C)o1
|
CCcccC)cC=O)NCCNC=O)C=CccncO)nc6O))))))))))C[C@@H]6C))))))))o5
|
[C][C][C][=C][C][Branch1][C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][C][O][N][=C][Ring1][#Branch1][O][C][C@@H1][Ring2][Ring1][C][C][O][Ring2][Ring1][O]
|
C=7c1cnc(O)nc1O.N14CCN5C[C@@H]1C.c18cc(C)c6o1.C5(=O)C=7.C46=O.CC8
|
O=C(C[C@H]1CCCCN1)N1CCN(Cc2cc3ccccc3o2)CC1
|
O=CC[C@H]CCCCN6)))))))NCCNCcccccccc6o9))))))))))CC6
|
[O][=C][Branch1][#Branch2][C][C@H1][C][C][C][C][N][Ring1][=Branch1][N][C][C][N][Branch1][#C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring1][S]
|
c17cc2ccccc2o1.N14CCN5CC1.[C@H]16CCCCN1.O=C4C6.C57
|
O=C(N[C@@H]1COCCN(C(=O)c2occ3c2CCOC3)C1)c1cc(C(F)F)on1
|
O=CN[C@@H]COCCNC=O)coccc5CCOC6))))))))))C7))))))))cccCF)F))on5
|
[O][=C][Branch2][Ring1][S][N][C@@H1][C][O][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=Ring1][Branch1][C][C][O][C][Ring1][=Branch1][C][Ring2][Ring1][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][O][N][=Ring1][Branch2]
|
c18occ2c1CCOC2.[C@@H]16COCCN5C1.c17cc9on1.O=C47.C58=O.C9(F)F.N46
|
CC(C)C[C@@](C)(O)C(=O)NCCN(CCCN(C)C)C(=O)[C@@H](O)C1CCOCC1
|
CCC)C[C@@]C)O)C=O)NCCNCCCNC)C)))))C=O)[C@@H]O)CCCOCC6
|
[C][C][Branch1][C][C][C][C@@][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][C][O][C][C][Ring1][=Branch1]
|
CC(C)C[C@@](C)(O)C2=O.C18CCOCC1.C3(=O)[C@H]8O.C6CC7.C4C5.N356.N7(C)C.N24
|
C[C@@H](c1cn([C@@H]2CN(C(=O)C3(S(C)(=O)=O)CCCC3)C[C@H]2O)nn1)N1CCCC1
|
C[C@@H]ccn[C@@H]CNC=O)CSC)=O)=O))CCCC5))))))C[C@H]5O))))))nn5)))))NCCCC5
|
[C][C@@H1][Branch2][Ring2][N][C][=C][N][Branch2][Ring1][P][C@@H1][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][C][C][Ring1][=Branch2][C][C@H1][Ring1][S][O][N][=N][Ring2][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1]
|
C16(S(C)(=O)=O)CCCC1.[C@@H]18CN4C[C@H]1O.c17cn8nn1.N15CCCC1.C[C@H]57.C46=O
|
CN(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(N)cc1Cl)C(C)(C)C
|
CNC)[C@H]C=O)NC[C@@H]C[C@H]5CN5C=O)cnccN)cc6Cl))))))))))))))))CC)C)C
|
[C][N][Branch1][C][C][C@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Ring1][Branch1][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=N][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][C][Branch1][C][C][C]
|
[C@@H]5(C3=O)C(C)(C)C.N13C[C@@H]2C[C@H]1CN24.c16ncc(N)cc1Cl.CN5C.C46=O
|
C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)c2ccccc21
|
C[C@@H]CC[C@H]NC=O)C=O)NCCccCl)ccCl)cc6[C@H]%10C))))))))))))))cccccc6%10
|
[C][C@@H1][C][C][C@H1][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C@H1][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N]
|
N15CCc2c(Cl)cc(Cl)cc2[C@H]1C.C[C@@H]1CC[C@H](N4)c2ccccc21.C4(=O)C5=O
|
C[C@@H]1OCC[C@]12CN(N1CCN(c3nccs3)CC1)CCO2
|
C[C@@H]OCC[C@]5CNNCCNcnccs5)))))CC6))))))CCO6
|
[C][C@@H1][O][C][C][C@][Ring1][Branch1][C][N][Branch2][Ring1][C][N][C][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][O][C][C][O][Ring1][P]
|
C[C@@H]1OCC[C@]12CN(N1CCN4CC1)CCO2.c14nccs1
|
C[C@H](C(=O)NCCOC(C)(C)CNC(=O)c1sccc1C#N)[C@@H]1CCOC1
|
C[C@H]C=O)NCCOCC)C)CNC=O)csccc5C#N))))))))))))))))[C@@H]CCOC5
|
[C][C@H1][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][#N][C@@H1][C][C][O][C][Ring1][Branch1]
|
c18sccc1C#N.C[C@@H]9C2=O.C5(C)(C)C7.[C@@H]19CCOC1.C6C4.C38=O.N26.O45.N37
|
C[C@H]1C[C@H](CC(=O)N[C@H]2C[C@H]3C[C@@H]2OC(=O)N3)CN1C(=O)c1ccnc(CO)c1
|
C[C@H]C[C@H]CC=O)N[C@H]C[C@H]C[C@@H]5OC=O)N6)))))))))))CN5C=O)cccncCO))c6
|
[C][C@H1][C][C@H1][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C@H1][C][C@H1][C][C@@H1][Ring1][Branch1][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C][N][Ring2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Ring1][C][O][=C][Ring1][Branch2]
|
[C@H]16C[C@H]2C[C@@H]1OC(=O)N2.C[C@H]1C[C@H]9CN15.c17ccnc8c1.C9C4=O.C57=O.N46.C8O
|
CC(C)(C)C(=O)NCC(C)(C)[C@H]1CCCCN1C(=O)c1cc(S(C)(=O)=O)cs1
|
CCC)C)C=O)NCCC)C)[C@H]CCCCN6C=O)cccSC)=O)=O))cs5
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][S][Ring1][=Branch2]
|
c15cc(S(C)(=O)=O)cs1.[C@H]16CCCCN13.CC(C)(C)C2=O.C4C6(C)C.C35=O.N24
|
CCOCc1nc(C)c(C(=O)OC[C@H]2CN(c3ncccn3)CCO2)s1
|
CCOCcncC)cC=O)OC[C@H]CNcncccn6))))))CCO6)))))))))s5
|
[C][C][O][C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C@H1][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][O][Ring1][N][S][Ring2][Ring1][=Branch1]
|
c1%11nc(C)c9s1.[C@H]1%10CN8CCO1.c18ncccn1.C49=O.CC5.O56.C6%11.O47.C7%10
|
CCCCC[C@@H](O)CC(=O)N(C)CC1(O)CN(C(=O)[C@H]2CC(=O)N(C(C)C)C2)C1
|
CCCCC[C@@H]O)CC=O)NC)CCO)CNC=O)[C@H]CC=O)NCC)C))C5))))))C4
|
[C][C][C][C][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][O][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2][C][Ring1][S]
|
CCCCC[C@@H](O)CC3=O.[C@H]16CC(=O)N7C1.C18(O)CN4C1.N35C.C46=O.C7(C)C.C58
|
CO[C@H](CNC(=O)Cn1cc(S(N)(=O)=O)cn1)CNC(=O)[C@H]1CSCCS1
|
CO[C@H]CNC=O)CnccSN)=O)=O))cn5)))))))))CNC=O)[C@H]CSCCS6
|
[C][O][C@H1][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=N][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C@H1][C][S][C][C][S][Ring1][=Branch1]
|
n18cc(S(N)(=O)=O)cn1.[C@H]17CSCCS1.[C@@H]4(C5)C6.C2(=O)C8.C37=O.CO4.N25.N36
|
CC(C)Oc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)C(=O)c3ccc(Cl)s3)C2)nc1
|
CCC)OccccC=O)N[C@@H]C[C@@H]C)NC=O)C=O)ccccCl)s5)))))))C5)))))))nc6
|
[C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][Ring1][S][N][=C][Ring2][Ring1][=Branch2]
|
c17ccc9nc1.[C@@H]18C[C@@H](C)N5C1.c1%10ccc(Cl)s1.C5(=O)C%10=O.CC6C.C49=O.O67.N48
|
Cc1nc(C(=O)N2CCC[C@H](NC(=O)C3=NN4CCCN=C4N3)CC2)sc1C
|
CcncC=O)NCCC[C@H]NC=O)C=NNCCCN=C6N9)))))))))))CC7))))))))sc5C
|
[C][C][N][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][N][C][C][C][N][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1][S][C][=Ring2][Ring1][#Branch2][C]
|
C6(=O)C1=NN2CCCN=C2N1.N15CCC[C@H]7CC1.Cc1nc8sc1C.C58=O.N67
|
Cc1csc(C(=O)N2CC[C@H](CNC(=O)[C@]3(C)CC(C4CC4)=NO3)[C@@H](C)C2)c1
|
CccscC=O)NCC[C@H]CNC=O)[C@]C)CCCCC3)))=NO5))))))))[C@@H]C)C6)))))))c5
|
[C][C][=C][S][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][=Branch2][C@@H1][Branch1][C][C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][O]
|
[C@@]18(C)CC(C2CC2)=NO1.N15CC[C@H]%10[C@@H](C)C1.Cc1csc9c1.C59=O.C68=O.C7%10.N67
|
CC(C)[C@@H](CCNC(=O)[C@H](C)NC(N)=O)NC(=O)[C@@H]1CCCS(=O)(=O)C1
|
CCC)[C@@H]CCNC=O)[C@H]C)NCN)=O))))))))NC=O)[C@@H]CCCS=O)=O)C6
|
[C][C][Branch1][C][C][C@@H1][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][Branch2]
|
[C@@H]18CCCS(=O)(=O)C1.CC(C)[C@H]5CC6.C2(=O)[C@@H]7C.C3(N)=O.C48=O.N26.N37.N45
|
Cc1nn(C)c(C(=O)NC[C@@]2(C)CC[C@H](NC(=O)CCC3=CCCCC3)C2)c1Cl
|
CcnnC)cC=O)NC[C@@]C)CC[C@H]NC=O)CCC=CCCCC6))))))))))C5))))))))c5Cl
|
[C][C][=N][N][Branch1][C][C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][C][C][C][Ring1][=Branch1][C][Ring1][P][=C][Ring2][Ring1][O][Cl]
|
C5(=O)CCC1=CCCCC1.Cc1nn(C)c8c1Cl.[C@]19(C)CC[C@H]7C1.C48=O.N46.C69.N57
|
O=C1OCCN1C1CCN(C(=O)C2(Oc3ccccc3F)CC2)CC1
|
O=COCCN5CCCNC=O)COcccccc6F))))))))CC3))))CC6
|
[O][=C][O][C][C][N][Ring1][Branch1][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][O][C][C][Ring2][Ring1][Ring1]
|
C18CCN4CC1.c16ccccc1F.O=C1OCCN18.C157CC1.C47=O.O56
|
C[C@@H]1CN(C(=O)[C@@]2(NC(=O)C[C@@H](O)CC(C)(C)C)C[C@H]2C)CC[C@@H]1N(C)C
|
C[C@@H]CNC=O)[C@@]NC=O)C[C@@H]O)CCC)C)C)))))))C[C@H]3C)))))CC[C@@H]6NC)C
|
[C][C@@H1][C][N][Branch2][Ring1][P][C][=Branch1][C][=O][C@@][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][O][C][C][Branch1][C][C][Branch1][C][C][C][C][C@H1][Ring1][=C][C][C][C][C@@H1][Ring2][Ring1][#Branch1][N][Branch1][C][C][C]
|
C4(=O)C[C@@H](O)CC(C)(C)C.C[C@@H]1CN3CC[C@@H]16.[C@@]157C[C@H]1C.C37=O.N6(C)C.N45
|
CCCC(=O)Nc1ccc(CNC(=O)C2CCC(Oc3ccccc3)CC2)cc1
|
CCCC=O)NccccCNC=O)CCCCOcccccc6)))))))CC6)))))))))cc6
|
[C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1]
|
c19ccc%11cc1.C1%10CCC6CC1.c17ccccc1.CCCC4=O.C5%10=O.N49.C8%11.N58.O67
|
O=C(N[C@H](Cc1cc[nH]n1)C(=O)NCc1nc(CO)n[nH]1)[C@@H]1CC(C2CC2)=NO1
|
O=CN[C@H]Cccc[nH]n5))))))C=O)NCcncCO))n[nH]5))))))))))[C@@H]CCCCC3)))=NO5
|
[O][=C][Branch2][Ring1][=C][N][C@H1][Branch1][=Branch2][C][C][C][=C][NH1][N][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][Ring1][C][O][=N][NH1][Ring1][#Branch1][C@@H1][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2]
|
[C@@H]17CC(C2CC2)=NO1.[C@@H]5(C8)C4=O.c19nc%10n[nH]1.c18cc[nH]n1.O=C37.N35.N46.C69.C%10O
|
C#C[C@@]1(O)CCCN(C(=O)[C@@H]2CC[C@H](CNC(=O)CC(C)=C(C)C)O2)C1
|
C#C[C@@]O)CCCNC=O)[C@@H]CC[C@H]CNC=O)CCC)=CC)C)))))))O5))))))C6
|
[C][#C][C@@][Branch1][C][O][C][C][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C@@H1][C][C][C@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][Branch1][C][C][C][O][Ring1][#C][C][Ring2][Ring1][Branch2]
|
C#C[C@@]1(O)CCCN3C1.[C@@H]16CC[C@H]8O1.C4(=O)CC=7C.C36=O.C=7(C)C.C58.N45
|
Cc1coc(C(C)(C)C)c1C(=O)N[C@H](CNC(=O)C=C1CCCC1)[C@H](C)C(C)C
|
CccocCC)C)C))c5C=O)N[C@H]CNC=O)C=CCCCC5)))))))))[C@H]C)CC)C
|
[C][C][=C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][C][C][C][Ring1][Branch1][C@H1][Branch1][C][C][C][Branch1][C][C][C]
|
[C@@H]4(C5)[C@H](C)C(C)C.Cc1coc8c16.C1=7CCCC1.C8(C)(C)C.C3(=O)C=7.C26=O.N24.N35
|
O=C(Cc1cc(Br)ccc1[N+](=O)[O-])Nc1cccnc1C(=O)Nc1cncs1
|
O=CCcccBr)ccc6[N+]=O)[O-])))))))))Nccccnc6C=O)Nccncs5
|
[O][=C][Branch2][Ring1][C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][N][=C][S][Ring1][Branch1]
|
c17cc(Br)ccc1[N+](=O)[O-].c15cccnc16.c14cncs1.O=C2C7.C36=O.N25.N34
|
CC(=O)N[C@H](C)C(=O)N(CCC(=O)N[C@H]1CC=CCC1)C1CC1
|
CC=O)N[C@H]C)C=O)NCCC=O)N[C@H]CC=CCC6))))))))))CCC3
|
[C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][S][C][C][C][=Branch1][C][=O][N][C@H1][C][C][=C][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring1]
|
[C@H]18CC=CCC1.[C@@H]5(C)C3=O.C6CC4=O.CC2=O.N367.C17CC1.N25.N48
|
CCc1ncccc1C(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)c1ncccc1Cl)C2
|
CCcncccc6C=O)NC[C@H]C[C@@H]C6)NC=O)cncccc6Cl))))))))C5
|
[C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][N][Branch1][=C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring1][#C]
|
N13C[C@H]2C[C@@H](C1)N4C2.c17ncccc16.c15ncccc1Cl.C36=O.C45=O.CC7
|
CC(C)[C@@H](O)C(=O)NC12CC(C1)N(C(=O)c1ccccc1-n1cc(Br)cn1)C2
|
CCC)[C@@H]O)C=O)NCCCC4)NC=O)cccccc6-nccBr)cn5))))))))))))C5
|
[C][C][Branch1][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][Ring1][Ring2][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch1][C][Br][C][=N][Ring1][=Branch1][C][Ring2][Ring1][Ring2]
|
CC(C)[C@@H](O)C3=O.C125CC(C1)N4C2.c16ccccc17.n17cc(Br)cn1.C46=O.N35
|
O=C(NC[C@H](O)CNC(=O)C1(C2CCOCC2)CC1)c1cc2c([nH]1)CCCC2=O
|
O=CNC[C@H]O)CNC=O)CCCCOCC6))))))CC3)))))))))cccc[nH]5)CCCC6=O
|
[O][=C][Branch2][Ring1][N][N][C][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][=C][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][=O]
|
c17cc2c([nH]1)CCCC2=O.C18(C2CCOCC2)CC1.C5[C@H](O)C6.O=C37.C48=O.N35.N46
|
CN(C)Cc1cc(C(=O)N2CC3(CCCN(C(=O)[C@H](CO)N(C)C)C3)C2)no1
|
CNC)CcccC=O)NCCCCCNC=O)[C@H]CO))NC)C))))C6)))))C4)))))no5
|
[C][N][Branch1][C][C][C][C][=C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Branch2][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][Branch1][C][C][C][C][Ring1][=C][C][Ring1][P][=N][O][Ring2][Ring1][Branch2]
|
N14CC2(CCCN5C2)C1.c19cc8no1.C5(=O)[C@@H]7CO.CN6C.C48=O.N7(C)C.C69
|
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