SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
C[C@H](Sc1ccccn1)C(=O)NCC(C)(C)NC(=O)c1ccc2c(c1)N(C)CC2
|
C[C@H]Scccccn6)))))))C=O)NCCC)C)NC=O)cccccc6)NC)CC5
|
[C][C@H1][Branch1][#Branch2][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][Ring1][#Branch1]
|
c18ccc2c(c1)N(C)CC2.c19ccccn1.C[C@H]7C3=O.C5C6(C)C.C48=O.S79.N35.N46
|
CCC(CC)(CNC(=O)Cc1ccccc1F)NC(=O)[C@H]1CCCS[C@H]1C
|
CCCCC))CNC=O)Ccccccc6F)))))))))))NC=O)[C@H]CCCS[C@H]6C
|
[C][C][C][Branch1][Ring1][C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=Branch1][C][=O][C@H1][C][C][C][S][C@H1][Ring1][=Branch1][C]
|
CCC4(C5)CC.c17ccccc1F.[C@H]16CCCS[C@H]1C.C2(=O)C7.C36=O.N25.N34
|
CO[C@@H]1CN(C(=O)CC2=CCN(C)CC2)C[C@H]1NC(=O)/C(F)=C\c1ccccc1
|
CO[C@@H]CNC=O)CC=CCNC)CC6))))))))C[C@H]5NC=O)/CF)=C\cccccc6
|
[C][O][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C@H1][Ring1][#C][N][C][=Branch1][C][=O][/C][Branch1][C][F][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1]
|
C3(=O)CC1=CCN(C)CC1.[C@@H]15CN3C[C@H]16.C=7c1ccccc1.C4(=O)C=7F.CO5.N46
|
CC=C[C@H](O)C(=O)N(CC1CC1)C1CCN(C(=O)[C@H]2CSC(C)=N2)CC1
|
CC=C[C@H]O)C=O)NCCCC3))))CCCNC=O)[C@H]CSCC)=N5))))))CC6
|
[C][C][=C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@H1][C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][C][Ring1][=C]
|
C16CCN4CC1.C=8[C@H](O)C3=O.[C@H]17CSC(C)=N1.N356.C19CC1.C47=O.CC=8.C59
|
CC(C)[C@H](NC=O)C(=O)NCC[C@H]1CCCN1C(=O)[C@@]12CC=C[C@@H](C1)OC2
|
CCC)[C@H]NC=O)))C=O)NCC[C@H]CCCN5C=O)[C@@]CC=C[C@@H]C6)OC7
|
[C][C][Branch1][C][C][C@H1][Branch1][Ring2][N][C][=O][C][=Branch1][C][=O][N][C][C][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@][C][C][=C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][O][C][Ring1][Branch2]
|
[C@@]127CC=C[C@@H](C1)OC2.CC(C)[C@H]5C3=O.[C@H]18CCCN14.N5C=O.C6C8.C47=O.N36
|
CC(C)C[C@](C)(O)C(=O)N1CC[C@H](OCCNC(=O)CN2C[C@H]3C[C@H]3C2)C1
|
CCC)C[C@]C)O)C=O)NCC[C@H]OCCNC=O)CNC[C@H]C[C@H]3C6))))))))))))C5
|
[C][C][Branch1][C][C][C][C@][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][Ring2][O][C][C][N][C][=Branch1][C][=O][C][N][C][C@H1][C][C@H1][Ring1][Ring1][C][Ring1][=Branch1][C][Ring2][Ring1][C]
|
CC(C)C[C@](C)(O)C4=O.N14CC[C@H]7C1.N19C[C@H]2C[C@H]2C1.C5(=O)C9.C6C8.O67.N58
|
C=C[C@@H]1CCN(C(=O)C2(OC)CCN(C[C@@H]3CC(CC)=NO3)CC2)C1
|
C=C[C@@H]CCNC=O)COC))CCNC[C@@H]CCCC))=NO5))))))CC6)))))))C5
|
[C][=C][C@@H1][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][C][C][N][Branch1][=N][C][C@@H1][C][C][Branch1][Ring1][C][C][=N][O][Ring1][#Branch1][C][C][Ring1][S][C][Ring2][Ring1][#Branch1]
|
C157CCN6CC1.C=C[C@@H]1CCN4C1.[C@@H]18CC(CC)=NO1.C47=O.O5C.C68
|
C[C@@H]1C[C@H](C)[C@H](C(=O)NC[C@@H]2CN(C(=O)c3ccon3)CC[C@@]23CCOC3)O1
|
C[C@@H]C[C@H]C)[C@H]C=O)NC[C@@H]CNC=O)cccon5))))))CC[C@@]6CCOC5)))))))))))))O5
|
[C][C@@H1][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][N][=Ring1][Branch1][C][C][C@@][Ring1][=N][C][C][O][C][Ring1][Branch1][O][Ring2][Ring1][O]
|
[C@@H]19CN5CC[C@@]12CCOC2.C[C@@H]1C[C@H](C)[C@H]7O1.c18ccon1.C47=O.C58=O.N46.C69
|
C#C[C@H](CC)NC(=NCCCOCC)NCc1ccc(Br)c(F)c1
|
C#C[C@H]CC))NC=NCCCOCC)))))))NCccccBr)cF)c6
|
[C][#C][C@H1][Branch1][Ring1][C][C][N][C][=Branch1][Branch2][=N][C][C][C][O][C][C][N][C][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][F][=C][Ring1][Branch2]
|
N4C(=NCCC2)N5.c16ccc(Br)c(F)c1.C#C[C@@H]4CC.O23.C3C.C56
|
CCn1ccc(C(=O)N[C@@H]2COCCN(C(=O)[C@@H](O)C3CCS(=O)(=O)CC3)C2)n1
|
CCncccC=O)N[C@@H]COCCNC=O)[C@@H]O)CCCS=O)=O)CC6))))))))C7)))))))))n5
|
[C][C][N][C][=C][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C@@H1][C][O][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][O]
|
[C@@H]16COCCN5C1.C19CCS(=O)(=O)CC1.n18ccc7n1.C5(=O)[C@H]9O.C47=O.CC8.N46
|
CCOC(=O)c1cnc(SC)[nH]c1=NCCCN(C)C(=O)[C@H](F)[C@H]1CCOC1
|
CCOC=O)ccncSC))[nH]c6=NCCCNC)C=O)[C@H]F)[C@H]CCOC5
|
[C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Ring1][S][C][NH1][C][Ring1][Branch2][=N][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][F][C@H1][C][C][O][C][Ring1][Branch1]
|
c16cnc8[nH]c1=NCCC5.C3(=O)[C@@H]7F.[C@H]17CCOC1.C26=O.N35C.CC4.O24.S8C
|
CCCCCCNC(=O)[C@H](c1ccc(F)cc1I)N1CCC(CO)(N(C)C)CC1
|
CCCCCCNC=O)[C@H]ccccF)cc6I)))))))NCCCCO))NC)C))CC6
|
[C][C][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][I][N][C][C][C][Branch1][Ring1][C][O][Branch1][=Branch1][N][Branch1][C][C][C][C][C][Ring1][O]
|
c17ccc(F)cc1I.N14CCC56CC1.CCCCCC3.C2(=O)[C@@H]47.N5(C)C.N23.C6O
|
CCCN(CCC)C(=O)[C@@H](COCC)NC(=O)c1ccc(O)nc1C
|
CCCNCCC)))C=O)[C@@H]COCC))))NC=O)ccccO)nc6C
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C@@H1][Branch1][Branch1][C][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][N][=C][Ring1][#Branch1][C]
|
c19ccc(O)nc1C.C2(=O)[C@H]8C4.CCC6.N267.C7CC.C39=O.O45.C5C.N38
|
CO[C@@H](C(=O)NCC1CCN(C(=O)C2(C)CCC2)CC1)[C@@H]1CCCO1
|
CO[C@@H]C=O)NCCCCNC=O)CC)CCC4)))))CC6)))))))))[C@@H]CCCO5
|
[C][O][C@@H1][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][C@@H1][C][C][C][O][Ring1][Branch1]
|
C19CCN4CC1.[C@@H]58C3=O.C17(C)CCC1.[C@@H]18CCCO1.C47=O.CO5.N36.C69
|
CS[C@H](C(=O)NC[C@H](C)NC(=O)C[C@H]1CCOC(C)(C)C1)C(C)C
|
CS[C@H]C=O)NC[C@H]C)NC=O)C[C@H]CCOCC)C)C6)))))))))))))CC)C
|
[C][S][C@H1][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C@H1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][Branch1][C][C][C]
|
[C@H]17CCOC(C)(C)C1.[C@@H]6(C2=O)C(C)C.C4[C@@H]5C.C3(=O)C7.CS6.N24.N35
|
O=C(CCCc1ccccc1)N[C@H]1CCC12CN(C(=O)CCc1ccsc1)C2
|
O=CCCCcccccc6)))))))))N[C@H]CCC4CNC=O)CCcccsc5))))))))C4
|
[O][=C][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@H1][C][C][C][Ring1][Ring2][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][=N]
|
[C@H]15CCC12CN4C2.O=C3CCC6.c16ccccc1.C4(=O)CC7.c17ccsc1.N35
|
Cc1ccc(C(=O)NC[C@@]2(C)CN(C(=O)c3cccc4cc[nH]c34)CCO2)s1
|
CccccC=O)NC[C@@]C)CNC=O)ccccccc[nH]c95))))))))))CCO6)))))))))s5
|
[C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][C][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][O][Ring2][Ring1][C][S][Ring2][Ring1][O]
|
c19cccc2cc[nH]c12.[C@]1%10(C)CN6CCO1.Cc1ccc8s1.C58=O.C69=O.N57.C7%10
|
CC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC[C@H]1NC(=O)c1ccc(Br)cc1C
|
CC[C@@H]CCCN5C=O)C=O)N[C@@H]CC[C@H]4NC=O)ccccBr)cc6C
|
[C][C][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C]
|
c17ccc(Br)cc1C.[C@@H]18CCCN12.C2(=O)C3=O.[C@@H]15CC[C@H]16.C47=O.CC8.N35.N46
|
COc1ccccc1C=CC(=O)NC1(CNC(=O)[C@H]2COCCO2)CCCC1
|
COcccccc6C=CC=O)NCCNC=O)[C@H]COCCO6)))))))))CCCC5
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][C][=O][N][C][Branch1][#C][C][N][C][=Branch1][C][=O][C@H1][C][O][C][C][O][Ring1][=Branch1][C][C][C][C][Ring1][#C]
|
c15ccccc1C=9.C16%10CCCC1.[C@H]18COCCO1.C=9C3=O.C48=O.CO5.N36.C7%10.N47
|
C#CCC[C@H](NC(=O)[C@@H](CSC)OC)C(=O)N(C)CCCCO
|
C#CCC[C@H]NC=O)[C@@H]CSC)))OC)))))C=O)NC)CCCCO
|
[C][#C][C][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C@@H1][Branch1][Ring2][C][S][C][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][O]
|
C#CCC[C@H]4C2=O.C1(=O)[C@H]3C6.C5CCCO.N25C.N14.S6C.O3C
|
C=CCC(=O)N1Cc2ccccc2C[C@H]1CNC(=O)c1c(OC)ccc(Cl)c1C
|
C=CCC=O)NCcccccc6C[C@H]%10CNC=O)ccOC))cccCl)c6C
|
[C][=C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][C]
|
N13Cc2ccccc2C[C@H]18.c17c5ccc(Cl)c1C.C=CCC3=O.C47=O.C68.N46.O5C
|
C[C@@H]1CC[C@@H](NC(=O)COC[C@H]2CCOC2)CN1C(=O)CC(C)(C)CC(F)(F)F
|
C[C@@H]CC[C@@H]NC=O)COC[C@H]CCOC5))))))))))CN6C=O)CCC)C)CCF)F)F
|
[C][C@@H1][C][C][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C][O][C][C@H1][C][C][O][C][Ring1][Branch1][C][N][Ring1][P][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F]
|
C4(=O)CC(C)(C)CC(F)(F)F.C[C@@H]1CC[C@@H]7CN14.[C@H]18CCOC1.C3(=O)C5.N37.O56.C68
|
O=C(NC[C@@]12C[C@@H]1CN(C(=O)[C@H]1CCCc3nccn31)C2)c1cc(Cl)ccn1
|
O=CNC[C@@]C[C@@H]3CNC=O)[C@H]CCCcnccn59))))))))))C6))))))))cccCl)ccn6
|
[O][=C][Branch2][Ring1][P][N][C][C@@][C][C@@H1][Ring1][Ring1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][C][C][C][C][=N][C][=C][N][Ring1][Branch1][Ring1][=Branch2][C][Ring1][P][C][=C][C][Branch1][C][Cl][=C][C][=N][Ring1][#Branch1]
|
C5(=O)[C@H]1CCCc2nccn21.[C@@]128C[C@@H]1CN5C2.c17cc(Cl)ccn1.O=C47.N46.C68
|
CC(C)[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](NC(=O)CN2CC(=O)NC2=O)CC1(C)C
|
CCC)[C@@H]CCO[C@@H]5C=O)NC[C@@H]NC=O)CNCC=O)NC5=O)))))))))CC5C)C
|
[C][C][Branch1][C][C][C@@H1][C][C][O][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][N][C][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][C][Ring1][S][Branch1][C][C][C]
|
N13C[C@@H]5CC1(C)C.N17CC(=O)NC1=O.[C@@H]18CCO[C@@H]16.C4(=O)C7.CC8C.C36=O.N45
|
CCC(CC)C(=O)NC[C@@](C)(CO)NC(=O)[C@@H](Cc1ccccc1)C(F)(F)F
|
CCCCC))C=O)NC[C@@]C)CO))NC=O)[C@@H]Ccccccc6)))))))CF)F)F
|
[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]
|
C3(=O)[C@@H](C6)C(F)(F)F.CCC(CC)C2=O.C4[C@@]5(C)CO.c16ccccc1.N24.N35
|
CN(C(=O)Cc1cn(C)nn1)[C@H](CNC(=O)[C@@H](Cc1ccsc1)NC=O)C1CC1
|
CNC=O)CccnC)nn5)))))))[C@H]CNC=O)[C@@H]Ccccsc5))))))NC=O)))))))CCC3
|
[C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][N][=N][Ring1][=Branch1][C@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][N][C][=O][C][C][C][Ring1][Ring1]
|
c17cn(C)nn1.C3(=O)[C@H]6C9.c19ccsc1.C2(=O)C7.[C@H]48C5.CN24.N6C=O.C18CC1.N35
|
Cc1ccc(C(=O)N[C@H]2CCN(C(=O)C3(C(N)=O)CCC3)CC[C@@H]2CO)nc1O
|
CccccC=O)N[C@H]CCNC=O)CCN)=O))CCC4)))))CC[C@@H]7CO)))))))))))nc6O
|
[C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][C][Ring1][#Branch1][C][C][C@@H1][Ring1][S][C][O][N][=C][Ring2][Ring1][O][O]
|
[C@H]16CCN5CC[C@@H]1%10.Cc1ccc7nc1O.C189CCC1.C47=O.C58=O.C9(N)=O.N46.C%10O
|
Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H](CC1CC1)c1ncccn1
|
Cnnc[N+]=O)[O-]))cc5C=O)N[C@@H]CCCC3))))cncccn6
|
[C][N][N][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=N][C][=C][C][=N][Ring1][=Branch1]
|
Cn1nc([N+](=O)[O-])cc14.c15ncccn1.[C@@H]35C6.C24=O.C16CC1.N23
|
CC(=O)c1csc(C(=O)NC2(CNC(=O)c3c[nH]ccc3=O)CCCC2)c1
|
CC=O)ccscC=O)NCCNC=O)cc[nH]ccc6=O))))))))))CCCC5)))))))c5
|
[C][C][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][Branch1][S][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][Ring1][=Branch1][=O][C][C][C][C][Ring1][S][=C][Ring2][Ring1][Branch2]
|
c1%10c[nH]ccc1=O.c19csc8c1.C16%11CCCC1.CC9=O.C48=O.C5%10=O.N46.C7%11.N57
|
CCO[C@H](C(=O)NC/C=C/CNC(=O)c1nc(O)nc(O)c1OC)C1CC1
|
CCO[C@H]C=O)NC/C=C/CNC=O)cncO)ncO)c6OC))))))))))))))))CCC3
|
[C][C][O][C@H1][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][/C][=C][/C][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][O][=N][C][Branch1][C][O][=C][Ring1][Branch2][O][C][C][C][C][Ring1][Ring1]
|
c1%10nc(O)nc(O)c17.[C@H]63C2=O.C8C=%11.C=%11C9.C4%10=O.C13CC1.CC5.O56.N28.N49.O7C
|
O=C(NCCC[C@H]1CCCN1C(=O)C[C@H]1CCOC1)[C@H]1CCCc2cncn21
|
O=CNCCC[C@H]CCCN5C=O)C[C@H]CCOC5))))))))))))))))[C@H]CCCccncn59
|
[O][=C][Branch2][Ring1][Branch2][N][C][C][C][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C@H1][C][C][O][C][Ring1][Branch1][C@H1][C][C][C][C][=C][N][=C][N][Ring1][Branch1][Ring1][=Branch2]
|
O=C3[C@H]1CCCc2cncn21.[C@H]16CCCN14.[C@H]17CCOC1.C5CC6.C4(=O)C7.N35
|
C#CC1(C(=O)NCC(C)(C)C(=O)NCC)CN(C(=O)CCN(C)CC)C1
|
C#CCC=O)NCCC)C)C=O)NCC))))))))CNC=O)CCNC)CC))))))C4
|
[C][#C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][C][C][Ring2][Ring1][Branch2]
|
C#CC19CN4C1.C5C(C)(C)C3=O.C4(=O)CC7.C29=O.N78C.N25.N36.C6C.C8C
|
CN(Cc1nc[nH]n1)C(=O)/C=C/C(C)(C)NC(=O)[C@]12C[C@H]1CNC2=O
|
CNCcnc[nH]n5))))))C=O)/C=C/CC)C)NC=O)[C@]C[C@H]3CNC6=O
|
[C][N][Branch1][=Branch2][C][C][N][=C][NH1][N][=Ring1][Branch1][C][=Branch1][C][=O][/C][=C][/C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@][C][C@H1][Ring1][Ring1][C][N][C][Ring1][=Branch1][=O]
|
[C@]127C[C@H]1CNC2=O.c19nc[nH]n1.C=8C6(C)C.C3(=O)C=8.CN35.C47=O.C59.N46
|
C=CC=CCC(=O)N[C@](C)(CNC(=O)c1cc(C(=O)OC)c[nH]1)C(C)C
|
C=CC=CCC=O)N[C@]C)CNC=O)cccC=O)OC)))c[nH]5))))))))CC)C
|
[C][=C][C][=C][C][C][=Branch1][C][=O][N][C@][Branch1][C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][NH1][Ring1][=Branch2][C][Branch1][C][C][C]
|
[C@]5(C)(C6)C(C)C.c17cc8c[nH]1.C=9CC3=O.C=CC=9.C47=O.C28=O.N35.N46.O2C
|
Cc1nn(C2CC2)cc1C(=O)N(C)[C@@H](C)CNC(=O)c1cc(C(F)F)ccc1F
|
CcnnCCC3)))cc5C=O)NC)[C@@H]C)CNC=O)cccCF)F))ccc6F
|
[C][C][=N][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][C][=C][Ring1][=Branch2][F]
|
c18cc9ccc1F.Cc1nn%10cc17.[C@H]5(C)C6.C1%10CC1.C37=O.N35C.C48=O.C9(F)F.N46
|
CC(C)[C@@H](O)[C@@H](C)C(=O)N1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C2(CC2)C1
|
CCC)[C@@H]O)[C@@H]C)C=O)NC[C@@H]NC=O)CNCC=O)NC)C5=O)))))))))CCC3))C5
|
[C][C][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch1][=O][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring2][Ring1][Ring1]
|
CC(C)[C@@H](O)[C@@H](C)C3=O.N13C[C@@H]5C2(CC2)C1.N16CC(=O)N(C)C1=O.C4(=O)C6.N45
|
CCS[C@H](C)C(=O)NCc1ccccc1CNC(=O)C[C@@H]1CC2(CCC2)CO1
|
CCS[C@H]C)C=O)NCcccccc6CNC=O)C[C@@H]CCCCC4)))CO5
|
[C][C][S][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C@@H1][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][O][Ring1][Branch2]
|
[C@@H]19CC2(CCC2)CO1.c1%10ccccc1%11.[C@@H]8(C)C3=O.C4(=O)C9.CC7.S78.N35.C5%10.C6%11.N46
|
Fc1ccc(Cl)c(F)c1[C@@H](Nc1csc(Cl)c1)c1nnnn1CC1CCOCC1
|
FccccCl)cF)c6[C@@H]NccscCl)c5))))))cnnnn5CCCCOCC6
|
[F][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][C@@H1][Branch1][N][N][C][=C][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][O][C][C][Ring1][=Branch1]
|
Fc1ccc(Cl)c(F)c17.c13csc(Cl)c1.c15nnnn14.C16CCOCC1.[C@H]257.N23.C46
|
CCN(CC)CC(=O)N1C[C@@H]2ON=C(CNC(=O)CCn3cc(C)cn3)[C@H]2C1
|
CCNCC))CC=O)NC[C@@H]ON=CCNC=O)CCnccC)cn5))))))))))[C@H]5C8
|
[C][C][N][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][O][N][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1][C@H1][Ring1][P][C][Ring2][Ring1][Ring2]
|
N14C[C@@H]2ON=C(C9)[C@H]2C1.n1%10cc(C)cn1.C5(=O)CC%10.C8C4=O.N678.CC6.C7C.N59
|
CCC[C@@H](O)C(=O)NC[C@@H]1CCCCN1C(=O)C=Cc1ccncn1
|
CCC[C@@H]O)C=O)NC[C@@H]CCCCN6C=O)C=Ccccncn6
|
[C][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=N][Ring1][=Branch1]
|
CCC[C@@H](O)C2=O.[C@@H]16CCCCN13.C=5c1ccncn1.C3(=O)C=5.N24.C46
|
COc1cc(C)cc(-c2cc(C(=O)Nc3cc(Br)ncc3F)c(=O)n(C)c2)c1F
|
COcccC)cc-cccC=O)NcccBr)ncc6F)))))))))c=O)nC)c6))))))c6F
|
[C][O][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][Ring2][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Br][=N][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch2][F]
|
c15cc(C)cc8c1F.c18cc7c(=O)n(C)c1.c16cc(Br)ncc1F.C47=O.CO5.N46
|
COCC(C)(C)NC(=O)[C@@H]1C[C@@]12CCN(C(=O)c1cc(F)cnc1OC)C2
|
COCCC)C)NC=O)[C@@H]C[C@@]3CCNC=O)cccF)cnc6OC)))))))))C5
|
[C][O][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@@][Ring1][Ring1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][N][=C][Ring1][#Branch1][O][C][C][Ring1][S]
|
[C@@H]18C[C@@]12CCN4C2.c19cc(F)cnc16.C5C7(C)C.C38=O.C49=O.CO5.N37.O6C
|
C[C@@](CO)(CNC(=O)c1cc(Br)n[nH]1)NC(=O)C[C@H](C(F)F)n1cccn1
|
C[C@@]CO))CNC=O)cccBr)n[nH]5))))))))NC=O)C[C@H]CF)F))ncccn5
|
[C][C@@][Branch1][Ring1][C][O][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=N][NH1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][=Branch1][C][Branch1][C][F][F][N][C][=C][C][=N][Ring1][Branch1]
|
C3(=O)C[C@@H]7C(F)F.C[C@]4(C5)CO.c16cc(Br)n[nH]1.n17cccn1.C26=O.N25.N34
|
C#CCOCCC(=O)NCCC1(O)CCN(C(=O)[C@]2(F)CCCOC2)CC1
|
C#CCOCCC=O)NCCCO)CCNC=O)[C@]F)CCCOC6)))))))CC6
|
[C][#C][C][O][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C][N][Branch1][S][C][=Branch1][C][=O][C@][Branch1][C][F][C][C][C][O][C][Ring1][#Branch1][C][C][Ring1][S]
|
C19(O)CCN4CC1.[C@@]18(F)CCCOC1.C6CC3=O.C#CC5.C7C9.C48=O.O56.N37
|
Cc1nscc1C(=O)N1CC[C@H](CNC(=O)c2cnc(O)n2C)C1(C)C
|
Ccnscc5C=O)NCC[C@H]CNC=O)ccncO)n5C)))))))))C5C)C
|
[C][C][=N][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][O][N][Ring1][=Branch1][C][C][Ring1][S][Branch1][C][C][C]
|
N13CC[C@H]8C1(C)C.c16cnc(O)n1C.Cc1nscc17.C37=O.C46=O.C58.N45
|
Cc1cc(=NC[C@@H]2CCCOCC2)[nH]c(=NCc2ccc(-n3ccnc3)cc2)[nH]1
|
Cccc=NC[C@@H]CCCOCC7)))))))))[nH]c=NCcccc-nccnc5)))))cc6))))))))[nH]6
|
[C][C][=C][C][=Branch1][N][=N][C][C@@H1][C][C][C][O][C][C][Ring1][#Branch1][NH1][C][=Branch2][Ring1][Ring2][=N][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][NH1][Ring2][Ring1][N]
|
Cc1cc(=NC4)[nH]c(=NC5)[nH]1.[C@@H]14CCCOCC1.c15ccc6cc1.n16ccnc1
|
CCC1(C(=O)N[C@H](C)c2nocc2C(=O)N(C)Cc2ccon2)COC1
|
CCCC=O)N[C@H]C)cnocc5C=O)NC)Ccccon5))))))))))))))))COC4
|
[C][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=N][O][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][O][N][=Ring1][Branch1][C][O][C][Ring2][Ring1][Branch2]
|
c19nocc18.C17%11COC1.c1%10ccon1.C37=O.[C@H]59C.C48=O.N46C.CC%11.N35.C6%10
|
Cc1nn(C)c2sc(C(=O)NCC[C@H]3CSCCN3C(=O)[C@H]3CCS3(=O)=O)cc12
|
CcnnC)cscC=O)NCC[C@H]CSCCN6C=O)[C@H]CCS4=O)=O))))))))))))))))cc85
|
[C][C][=N][N][Branch1][C][C][C][S][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C@H1][C][S][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][C][C][S][Ring1][Ring2][=Branch1][C][=O][=O][=C][C][Ring2][Ring1][N][=Ring2][Ring1][Branch2]
|
Cc1nn(C)c2sc8cc12.[C@H]19CSCCN15.[C@H]17CCS1(=O)=O.C48=O.C6C9.C57=O.N46
|
O=C(N[C@H]1C[C@H](C(F)F)C1)c1ccccc1-n1ccc(C2CC2)n1
|
O=CN[C@H]C[C@H]CF)F))C4)))))cccccc6-ncccCCC3)))n5
|
[O][=C][Branch1][#C][N][C@H1][C][C@H1][Branch1][=Branch1][C][Branch1][C][F][F][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2]
|
c15ccccc17.n17ccc8n1.[C@H]14C[C@H]6C1.O=C35.C6(F)F.C18CC1.N34
|
C=CCC(C)(C)C(=O)N(C)C1CC(NC(=O)c2cc(O)ccc2OC(F)F)C1
|
C=CCCC)C)C=O)NC)CCCNC=O)cccO)ccc6OCF)F)))))))))))C4
|
[C][=C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][F][F][C][Ring2][Ring1][C]
|
C=CCC(C)(C)C3=O.c18cc(O)ccc15.C16CC7C1.O5C(F)F.N36C.C48=O.N47
|
C[C@@H](CCNC(=O)c1ncoc1CNC(=O)[C@H]1CCCCO1)N(C)C
|
C[C@@H]CCNC=O)cncoc5CNC=O)[C@H]CCCCO6))))))))))))))))))NC)C
|
[C][C@@H1][Branch2][Ring1][=N][C][C][N][C][=Branch1][C][=O][C][N][=C][O][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C@H1][C][C][C][C][O][Ring1][=Branch1][N][Branch1][C][C][C]
|
c18ncoc19.[C@H]17CCCCO1.C[C@H]4CC5.C28=O.C37=O.N4(C)C.N25.C69.N36
|
COCC(COC)C(=O)NC1(COC)CCN(C(=O)[C@@H]2C[C@@H](C)CO2)CC1
|
COCCCOC)))C=O)NCCOC)))CCNC=O)[C@@H]C[C@@H]C)CO5))))))CC6
|
[C][O][C][C][Branch1][Ring2][C][O][C][C][=Branch1][C][=O][N][C][Branch1][Ring2][C][O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][C][C][O][Ring1][=Branch1][C][C][Ring1][P]
|
C18%10CCN4CC1.C5C(C6)C3=O.[C@@H]19C[C@@H](C)CO1.C49=O.CO5.O6C.N38.C7%10.O7C
|
N#C[C@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2cccc(S(=O)(=O)CF)c2)CC12CCC2
|
N#C[C@H]C[C@H]3C=O)NC[C@@H]NC=O)cccccS=O)=O)CF)))c6))))))))CC5CCC4
|
[N][#C][C@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][F][=C][Ring1][O][C][C][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring2]
|
c17cccc(S(=O)(=O)CF)c1.N13C[C@@H]5CC12CCC2.N#C[C@H]1C[C@H]16.C36=O.C47=O.N45
|
COc1ccc(SC)c(OC)c1C(=O)NC[C@@H](NC(=O)[C@@H](O)C1CC1)C(C)C
|
COccccSC))cOC))c6C=O)NC[C@@H]NC=O)[C@@H]O)CCC3))))))CC)C
|
[C][O][C][=C][C][=C][Branch1][Ring1][S][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][C][Ring1][Ring1][C][Branch1][C][C][C]
|
c14ccc%10c5c18.C6[C@@H]7C(C)C.C3(=O)[C@H]9O.C28=O.C19CC1.CO4.S%10C.O5C.N26.N37
|
CCOCC(=O)N1CCN(N2CC(=O)N3CCCC[C@H]3C2)CC1
|
CCOCC=O)NCCNNCC=O)NCCCC[C@H]6C%10))))))))))CC6
|
[C][C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][N][C][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][Ring1][O][C][C][Ring1][P]
|
N14CCN(N2CC(=O)N3CCCC[C@H]3C2)CC1.C6C4=O.CC5.O56
|
CCNC(=O)C(=O)NCCCC[C@@H](CO)NC(=O)Cc1cc(Cl)cnc1C
|
CCNC=O)C=O)NCCCC[C@@H]CO))NC=O)CcccCl)cnc6C
|
[C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][C]
|
C6CCC[C@H]7CO.c18cc(Cl)cnc1C.C2(=O)C3=O.C4(=O)C8.CC5.N25.N36.N47
|
C[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@](F)(CNC(=O)c2coc(C3CCOCC3)n2)C1
|
C[C@@H]C[C@@H]3C=O)N[C@H]C[C@]F)CNC=O)ccocCCCOCC6))))))n5))))))))C4
|
[C][C@@H1][C][C@@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C@H1][C][C@][Branch1][C][F][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][O][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][O][C][Ring2][Ring1][Ring2]
|
[C@H]17C[C@@]%10(F)C1.c18coc%11n1.C1%11CCOCC1.C[C@@H]1C[C@@H]19.C49=O.C58=O.N47.C6%10.N56
|
C=CCc1ccccc1C(=O)NC[C@H](F)CNC(=O)c1c(O)nnc(C)c1C
|
C=CCcccccc6C=O)NC[C@H]F)CNC=O)ccO)nncC)c6C
|
[C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][F][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][N][=N][C][Branch1][C][C][=C][Ring1][Branch2][C]
|
c17c(O)nnc(C)c1C.c18ccccc16.C4[C@H](F)C5.C=CC8.C26=O.C37=O.N24.N35
|
COC1CCC(CC(=O)NC2([C@H]3CCCN(C(=O)c4cnns4)C3)CC2)CC1
|
COCCCCCC=O)NC[C@H]CCCNC=O)ccnns5))))))C6))))))CC3))))))CC6
|
[C][O][C][C][C][C][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch1][C@H1][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][N][=N][S][Ring1][Branch1][C][Ring1][=N][C][C][Ring1][S][C][C][Ring2][Ring1][#Branch2]
|
C18([C@H]2CCCN6C2)CC1.C17CCC%10CC1.c19cnns1.C%10C5=O.C69=O.CO7.N58
|
O=C(NC1CCC(C(=O)NC[C@H]2C[C@@H]2[N+](=O)[O-])CC1)c1cc(O)cc(=O)o1
|
O=CNCCCCC=O)NC[C@H]C[C@@H]3[N+]=O)[O-]))))))))CC6)))))))cccO)cc=O)o6
|
[O][=C][Branch2][Ring1][N][N][C][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Ring1][Ring1][N+1][=Branch1][C][=O][O-1][C][C][Ring1][S][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][O][Ring1][Branch2]
|
c17cc(O)cc(=O)o1.C16CCC8CC1.[C@H]19C[C@@H]1[N+](=O)[O-].O=C37.C48=O.N36.N45.C59
|
C[C@@H]1C[C@H](CCNC(=O)CSCC(N)=O)CCN1C(=O)Cc1ccc(F)c(F)c1
|
C[C@@H]C[C@H]CCNC=O)CSCCN)=O)))))))))CCN6C=O)CccccF)cF)c6
|
[C][C@@H1][C][C@H1][Branch1][S][C][C][N][C][=Branch1][C][=O][C][S][C][C][Branch1][C][N][=O][C][C][N][Ring1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2]
|
C[C@@H]1C[C@H]7CCN13.c18ccc(F)c(F)c1.C2(=O)C5.C6C(N)=O.C3(=O)C8.C7C4.N24.S56
|
C[C@@H](CN(C)C(=O)[C@H]1CCOC1)N(C)C(=O)c1nccc2n[nH]cc12
|
C[C@@H]CNC)C=O)[C@H]CCOC5))))))))NC)C=O)cncccn[nH]cc95
|
[C][C@@H1][Branch1][P][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][C][C][O][C][Ring1][Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=N][C][=C][C][=N][NH1][C][=C][Ring1][=Branch2][Ring1][Branch1]
|
c17nccc2n[nH]cc12.[C@H]18CCOC1.C[C@H]5C6.N36C.C38=O.N45C.C47=O
|
C=C1CC(C(=O)N2CCN(C(=O)[C@]3(C)Cc4cccc(Cl)c43)C[C@H]2C)C1
|
C=CCCC=O)NCCNC=O)[C@]C)CcccccCl)c68)))))))))C[C@H]6C))))))))C4
|
[C][=C][C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Ring1][#Branch2][C][C@H1][Ring2][Ring1][C][C][C][Ring2][Ring1][=Branch2]
|
C6(=O)[C@]1(C)Cc2cccc(Cl)c21.N15CCN6C[C@H]1C.C=C1CC7C1.C57=O
|
O=C(NC[C@@H]1CCC1(F)F)[C@@H]1CSCN1C(=O)C1(CO)CCC1
|
O=CNC[C@@H]CCC4F)F)))))))[C@@H]CSCN5C=O)CCO))CCC4
|
[O][=C][Branch1][=N][N][C][C@@H1][C][C][C][Ring1][Ring2][Branch1][C][F][F][C@@H1][C][S][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][C][C][C][Ring1][=Branch1]
|
[C@@H]17CCC1(F)F.[C@@H]15CSCN13.C168CCC1.O=C25.C36=O.N24.C47.C8O
|
CC(C)[C@@](C)(CNc1ncc(O)cn1)NC(=O)C[C@H]1Cc2ccccc2O1
|
CCC)[C@@]C)CNcnccO)cn6))))))))NC=O)C[C@H]Ccccccc6O9
|
[C][C][Branch1][C][C][C@@][Branch1][C][C][Branch1][=C][C][N][C][=N][C][=C][Branch1][C][O][C][=N][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2]
|
[C@H]17Cc2ccccc2O1.CC(C)[C@@]4(C)C5.c16ncc(O)cn1.C3(=O)C7.N56.N34
|
Cc1ccc2cc(C(=O)N3CC[C@@](F)(C(=O)NCc4ccn(C)n4)C3)sc2c1
|
CccccccC=O)NCC[C@@]F)C=O)NCcccnC)n5))))))))C5))))))sc5c9
|
[C][C][=C][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C@@][Branch1][C][F][Branch1][P][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][C][Ring1][S][S][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O]
|
Cc1ccc2cc8sc2c1.N15CC[C@]9(F)C1.c1%10ccn(C)n1.C58=O.C69=O.N67.C7%10
|
CC(C)NC(=N)N[C@H](C)Cc1cccc(F)c1
|
CCC)NC=N)N[C@H]C)CcccccF)c6
|
[C][C][Branch1][C][C][N][C][=Branch1][C][=N][N][C@H1][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]
|
c14cccc(F)c1.N2C(=N)N3.[C@@H]3(C)C4.CC2C
|
C[C@@H]1CN(C)C[C@H](C(=O)NCC[C@@H]2CCCN(C(=O)C[C@H]3SC(=N)NC3=O)C2)O1
|
C[C@@H]CNC)C[C@H]C=O)NCC[C@@H]CCCNC=O)C[C@H]SC=N)NC5=O))))))))C6))))))))))O6
|
[C][C@@H1][C][N][Branch1][C][C][C][C@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C@@H1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C@H1][S][C][=Branch1][C][=N][N][C][Ring1][=Branch1][=O][C][Ring1][S][O][Ring2][Ring1][N]
|
C[C@@H]1CN(C)C[C@H]7O1.[C@@H]19CCCN5C1.[C@H]18SC(=N)NC1=O.C5(=O)C8.C47=O.C6C9.N46
|
C[C@H](c1cnccn1)N1CC[C@@]2(C[C@H](O)[C@H](O)CO2)C1
|
C[C@H]ccnccn6))))))NCC[C@@]C[C@H]O)[C@H]O)CO6)))))C5
|
[C][C@H1][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][C@@][Branch1][=C][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][Ring1][Branch2][C][Ring1][N]
|
N13CC[C@@]2(C[C@H](O)[C@H](O)CO2)C1.c14cnccn1.C[C@@H]34
|
C[C@@H](C(=O)N1CCC[C@H](Cn2cc(C(C)(C)CO)nn2)C1)C(F)(F)C(F)F
|
C[C@@H]C=O)NCCC[C@H]CnccCC)C)CO)))nn5))))))C6)))))))CF)F)CF)F
|
[C][C@@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][Ring2][C][N][C][=C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][O][N][=N][Ring1][#Branch2][C][Ring1][P][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F]
|
C[C@@H](C3=O)C(F)(F)C(F)F.N13CCC[C@H]6C1.n14cc5nn1.C5(C)(C)CO.C46
|
C=CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc(COC)s3)C2)C1
|
C=CCC)C)C=O)NCCO[C@]CCNC=O)ccncCOC)))s5))))))C5))))C6
|
[C][=C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C@][Branch2][Ring1][=Branch2][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Ring2][C][O][C][S][Ring1][Branch2][C][Ring1][#C][C][Ring2][Ring1][Ring2]
|
N14CCO[C@]2(CCN5C2)C1.C=CC(C)(C)C4=O.c17cnc8s1.C57=O.C68.O6C
|
O=C(C[C@H]1COCCN1C(=O)Cn1cc(Br)cn1)Nc1c(Cl)cc(Br)cc1Cl
|
O=CC[C@H]COCCN6C=O)CnccBr)cn5))))))))))))))NccCl)ccBr)cc6Cl
|
[O][=C][Branch2][Ring1][=Branch2][C][C@H1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][Br][C][=N][Ring1][=Branch1][N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Cl]
|
c14c(Cl)cc(Br)cc1Cl.[C@H]16COCCN13.n15cc(Br)cn1.O=C2C6.C3(=O)C5.N24
|
Fc1cc(I)cc(CN[C@@H]2CCC[C@@H]3CSC[C@H]32)c1
|
FcccI)ccCN[C@@H]CCC[C@@H]CSC[C@H]59)))))))))))c6
|
[F][C][=C][C][Branch1][C][I][=C][C][Branch1][S][C][N][C@@H1][C][C][C][C@@H1][C][S][C][C@H1][Ring1][Branch1][Ring1][=Branch2][=C][Ring2][Ring1][C]
|
[C@@H]15CCC[C@@H]2CSC[C@H]21.Fc1cc6cc(I)c1.C46.N45
|
CCC[C@H](OC)C(=O)N[C@@H](CCOC)CNC(=O)c1cnc2c(c1)CCC2
|
CCC[C@H]OC))C=O)N[C@@H]CCOC))))CNC=O)ccnccc6)CCC5
|
[C][C][C][C@H1][Branch1][Ring1][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][C][O][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1]
|
c19cnc2c(c1)CCC2.CCC[C@H]5C3=O.[C@@H]7(C8)CC6.C49=O.O5C.N37.O6C.N48
|
CC(=O)OCC(C)(C)CC(=O)NCCOCCNC(=O)Cc1cnccn1
|
CC=O)OCCC)C)CC=O)NCCOCCNC=O)Cccnccn6
|
[C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][=C][N][=C][C][=N][Ring1][=Branch1]
|
C5C(C)(C)CC3=O.c1%10cnccn1.C4(=O)C%10.CC2=O.C8C6.C7C9.O25.N38.O67.N49
|
CNC(=O)[C@H](c1cc(Cl)ncc1Br)N(C)[C@H](C)CC(N)=O
|
CNC=O)[C@H]cccCl)ncc6Br)))))))NC)[C@H]C)CCN)=O
|
[C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][=C][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][Br][N][Branch1][C][C][C@H1][Branch1][C][C][C][C][Branch1][C][N][=O]
|
c15cc(Cl)ncc1Br.[C@@H]4(C)CC(N)=O.C2(=O)[C@@H]35.N34C.CN2
|
Cc1ncc(CC(=O)N2C[C@H](NC(=O)CC3CC(N(C)C)C3)CC23CCC3)[nH]1
|
CcnccCC=O)NC[C@H]NC=O)CCCCNC)C))C4)))))))CC5CCC4))))))))))[nH]5
|
[C][C][=N][C][=C][Branch2][Ring2][Branch2][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring1][S][C][C][C][Ring1][Ring2][NH1][Ring2][Ring1][O]
|
N14C[C@H]6CC12CCC2.Cc1ncc8[nH]1.C19CC7C1.C8C4=O.C5(=O)C9.N7(C)C.N56
|
C[C@H](CCCNC(=O)[C@H]1CNC(=O)N1C)NC(=O)CNS(N)(=O)=O
|
C[C@H]CCCNC=O)[C@H]CNC=O)N5C)))))))))))NC=O)CNSN)=O)=O
|
[C][C@H1][Branch2][Ring1][Ring2][C][C][C][N][C][=Branch1][C][=O][C@H1][C][N][C][=Branch1][C][=O][N][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][N][S][Branch1][C][N][=Branch1][C][=O][=O]
|
[C@H]17CNC(=O)N1C.C[C@@H]4CCC5.N6S(N)(=O)=O.C3(=O)C6.C27=O.N25.N34
|
CN=c1[nH]c(SC)ncc1CN1CCC2(CC1)CCN2c1ncc2[nH]ncc2n1
|
CN=c[nH]cSC))ncc6CNCCCCC6))CCN4cncc[nH]ncc5n9
|
[C][N][=C][NH1][C][Branch1][Ring1][S][C][=N][C][=C][Ring1][Branch2][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][=N][C][=C][NH1][N][=C][C][Ring1][Branch1][=N][Ring1][=Branch2]
|
N13CCC2(CC1)CCN24.CN=c1[nH]c6ncc15.c14ncc2[nH]ncc2n1.S6C.C35
|
Cc1cnc(C(=O)N(C)CCOCCNC(=O)c2[nH]c(C3CC3)nc2C)c(F)c1
|
CccncC=O)NC)CCOCCNC=O)c[nH]cCCC3)))nc5C)))))))))))))))cF)c6
|
[C][C][=C][N][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][O][C][C][N][C][=Branch1][C][=O][C][NH1][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=Ring1][Branch2][C][C][Branch1][C][F][=C][Ring2][Ring1][N]
|
Cc1cnc%10c(F)c1.c1%11[nH]c%12nc1C.C4%10=O.N48C.C8C6.C7C9.C5%11=O.C1%12CC1.O67.N59
|
O=C1CCN(CC(=O)N2C[C@@H](NC(=O)Cc3cnns3)C[C@H]2CO)C(=O)N1
|
O=CCCNCC=O)NC[C@@H]NC=O)Cccnns5))))))))C[C@H]5CO)))))))))C=O)N6
|
[O][=C][C][C][N][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][N][=N][S][Ring1][Branch1][C][C@H1][Ring1][=C][C][O][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch2]
|
O=C1CCN7C(=O)N1.N14C[C@@H]6C[C@H]18.c19cnns1.C7C4=O.C5(=O)C9.N56.C8O
|
CO[C@H](C(=O)N1CCC[C@](O)(CNC(=O)COCCCC(C)C)C1)C1CCCC1
|
CO[C@H]C=O)NCCC[C@]O)CNC=O)COCCCCC)C))))))))))C6)))))))CCCCC5
|
[C][O][C@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][C@][Branch1][C][O][Branch1][P][C][N][C][=Branch1][C][=O][C][O][C][C][C][C][Branch1][C][C][C][C][Ring2][Ring1][Ring1][C][C][C][C][C][Ring1][Branch1]
|
N12CCC[C@@]9(O)C1.C6CCC(C)C.[C@H]48C2=O.C18CCCC1.C3(=O)C5.CO4.C79.N37.O56
|
CN(C(=O)CCSC(F)(F)F)[C@@H]1CCCN(C(=O)CCNC(=O)C(C)(C)C)CC1
|
CNC=O)CCSCF)F)F))))))[C@@H]CCCNC=O)CCNC=O)CC)C)C)))))))CC7
|
[C][N][Branch1][S][C][=Branch1][C][=O][C][C][S][C][Branch1][C][F][Branch1][C][F][F][C@@H1][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][C]
|
[C@@H]17CCCN3CC1.C4(=O)C(C)(C)C.C2(=O)CC6.S6C(F)(F)F.C3(=O)CC5.CN27.N45
|
CCCC[C@](C)(F)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cnc(C#N)s1
|
CCCC[C@]C)F)C=O)N[C@@H]Ccccccc6[C@H]9NC=O)ccncC#N))s5
|
[C][C][C][C][C@][Branch1][C][C][Branch1][C][F][C][=Branch1][C][=O][N][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Ring1][C][#N][S][Ring1][#Branch1]
|
[C@@H]15Cc2ccccc2[C@H]1N4.CCCC[C@](C)(F)C3=O.c16cnc(C#N)s1.C46=O.N35
|
CO[C@H](C)CCNc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1
|
CO[C@H]C)CCNcccS=O)=O)NCCOCC6)))))))ccc6Occcccc6
|
[C][O][C@H1][Branch1][C][C][C][C][N][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
c18cc(S7(=O)=O)ccc14.N17CCOCC1.c15ccccc1.[C@@H]3(C)CC6.CO3.N68.O45
|
C=CCCC[C@@H](NC(=O)CC(C)(C)C(=O)OC)C(=O)NCCCCC1CCCC1
|
C=CCCC[C@@H]NC=O)CCC)C)C=O)OC)))))))C=O)NCCCCCCCCC5
|
[C][=C][C][C][C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][Ring1][Branch1]
|
C=CCCC[C@@H]5C4=O.C3(=O)CC(C)(C)C2=O.C6CCC7.C17CCCC1.N35.O2C.N46
|
CC(C)[C@@H](CNC(=O)c1ccccc1N=S(C)(C)=O)NC(=O)[C@@H]1CCC12CCC2
|
CCC)[C@@H]CNC=O)cccccc6N=SC)C)=O))))))))))))NC=O)[C@@H]CCC4CCC4
|
[C][C][Branch1][C][C][C@@H1][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=S][Branch1][C][C][Branch1][C][C][=O][N][C][=Branch1][C][=O][C@@H1][C][C][C][Ring1][Ring2][C][C][C][Ring1][Ring2]
|
c18ccccc1N=S(C)(C)=O.[C@@H]17CCC12CCC2.CC(C)[C@H]5C6.C38=O.C47=O.N36.N45
|
O=C(C1=COCC1)N1CCC[C@@]2(CCCCN2C(=O)c2cc(F)c(F)cc2F)C1
|
O=CC=COCC5)))))NCCC[C@@]CCCCN6C=O)cccF)cF)cc6F)))))))))))))C6
|
[O][=C][Branch1][Branch2][C][=C][O][C][C][Ring1][Branch1][N][C][C][C][C@@][Branch2][Ring1][O][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][C][Ring2][Ring1][=Branch1]
|
N13CCC[C@@]2(CCCCN24)C1.c15cc(F)c(F)cc1F.O=C3C1=COCC1.C45=O
|
CN1[C@H]2CC[C@H]1CC(C(=O)N1[C@@H]3CC[C@H]1[C@H](CNC(=O)CCCC(F)(F)F)C3)C2
|
CN[C@H]CC[C@H]5CCC=O)N[C@@H]CC[C@H]5[C@H]CNC=O)CCCCF)F)F))))))))C6))))))))C7
|
[C][N][C@H1][C][C][C@H1][Ring1][Branch1][C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Ring1][Branch1][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][P][C][Ring2][Ring1][O]
|
CN1[C@H]2CC[C@H]1CC7C2.C5(=O)CCCC(F)(F)F.N14[C@@H]2CC[C@H]1[C@H]8C2.C47=O.C68.N56
|
Cc1cc([C@H](C)C(=O)N2CCC[C@@H]2c2cn(-c3ccc(F)cc3Cl)nn2)c(C)o1
|
Cccc[C@H]C)C=O)NCCC[C@@H]5ccn-ccccF)cc6Cl)))))))nn5))))))))))))cC)o5
|
[C][C][=C][C][Branch2][Ring2][Branch1][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=C][N][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][N][=N][Ring1][=N][=C][Branch1][C][C][O][Ring2][Ring1][N]
|
c16ccc(F)cc1Cl.Cc1cc5c(C)o1.N14CCC[C@@H]17.c17cn6nn1.[C@@H]5(C)C4=O
|
Cc1cc(-c2cn([C@H]3CCCN(C(=O)c4ccc(Cl)o4)C3)nn2)ccn1
|
Cccc-ccn[C@H]CCCNC=O)ccccCl)o5))))))C6))))))nn5)))))ccn6
|
[C][C][=C][C][Branch2][Ring2][Ring2][C][=C][N][Branch2][Ring1][=Branch2][C@H1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][O][Ring1][=Branch1][C][Ring1][=C][N][=N][Ring2][Ring1][Ring1][=C][C][=N][Ring2][Ring1][=Branch2]
|
Cc1cc8ccn1.[C@H]17CCCN5C1.c18cn7nn1.c16ccc(Cl)o1.C56=O
|
Cc1cc(N2CCC[C@@](C)(CO)C2)nc(=NCC[C@@H](N(C)C)C(F)(F)F)[nH]1
|
CcccNCCC[C@@]C)CO))C6))))))nc=NCC[C@@H]NC)C))CF)F)F))))))[nH]6
|
[C][C][=C][C][Branch1][S][N][C][C][C][C@@][Branch1][C][C][Branch1][Ring1][C][O][C][Ring1][=Branch2][=N][C][=Branch2][Ring1][Ring2][=N][C][C][C@@H1][Branch1][=Branch1][N][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F][NH1][Ring2][Ring1][#Branch2]
|
Cc1cc4nc(=NCC[C@@H]3C(F)(F)F)[nH]1.N14CCC[C@]5(C)C1.N3(C)C.C5O
|
Cc1ccc2cc(-c3cn(CCC(=O)NCC4(F)COC4)nn3)ccc2n1
|
Ccccccc-ccnCCC=O)NCCF)COC4)))))))))nn5)))))ccc6n%10
|
[C][C][=C][C][=C][C][=C][Branch2][Ring1][N][C][=C][N][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][C][O][C][Ring1][Branch1][N][=N][Ring1][S][C][=C][C][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][#Branch2]
|
Cc1ccc2cc9ccc2n1.c19cn7nn1.C7CC5=O.C18(F)COC1.N56.C68
|
CC(C)[C@@H](C)[C@H](CNC(=O)c1cncn1C)NC(=O)C1(c2cccc(Cl)c2)CC1
|
CCC)[C@@H]C)[C@H]CNC=O)ccncn5C)))))))))NC=O)CcccccCl)c6))))))CC3
|
[C][C][Branch1][C][C][C@@H1][Branch1][C][C][C@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][N][=C][N][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][#Branch2]
|
CC(C)[C@@H](C)[C@@H]5C6.c19cccc(Cl)c1.c17cncn1C.C189CC1.C37=O.C48=O.N36.N45
|
Nc1cc(C(=O)NC[C@H]2CN(C(=O)[C@@]3(F)CC=CCC3)CC23CCC3)cc(Cl)n1
|
NcccC=O)NC[C@H]CNC=O)[C@@]F)CC=CCC6)))))))CC5CCC4)))))))))))ccCl)n6
|
[N][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch1][S][C][=Branch1][C][=O][C@@][Branch1][C][F][C][C][=C][C][C][Ring1][#Branch1][C][C][Ring1][=C][C][C][C][Ring1][Ring2][=C][C][Branch1][C][Cl][=N][Ring2][Ring1][N]
|
[C@H]19CN5CC12CCC2.Nc1cc8cc(Cl)n1.[C@]17(F)CC=CCC1.C48=O.C57=O.N46.C69
|
Cc1nsc(C)c1C(=O)N1C[C@H](NC(=O)c2ccnn2C(C)C)[C@@H]2CCCC[C@@H]21
|
CcnscC)c5C=O)NC[C@H]NC=O)cccnn5CC)C)))))))))[C@@H]CCCC[C@@H]69
|
[C][C][=N][S][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][Branch1][C][C][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][Ring2][Ring1][Ring2]
|
N13C[C@H]5[C@@H]2CCCC[C@@H]21.Cc1nsc(C)c17.c16ccnn18.C37=O.C46=O.C8(C)C.N45
|
CCCN(C)CCC(=O)N1CC[C@H](NC(=O)c2sccc2Cl)[C@@H](O)C1
|
CCCNC)CCC=O)NCC[C@H]NC=O)csccc5Cl))))))))[C@@H]O)C6
|
[C][C][C][N][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][Cl][C@@H1][Branch1][C][O][C][Ring1][S]
|
N13CC[C@H]7[C@@H](O)C1.c18sccc1Cl.C6CC3=O.CCC5.N56C.C48=O.N47
|
CN(C)[C@@H](CC[S@@+](C)[O-])C(=O)NCCCN1CCN(C(=O)C(=O)NC2CC2)CC1
|
CNC)[C@@H]CC[S@@+]C)[O-]))))C=O)NCCCNCCNC=O)C=O)NCCC3))))))CC6
|
[C][N][Branch1][C][C][C@@H1][Branch1][Branch2][C][C][S@@+1][Branch1][C][C][O-1][C][=Branch1][C][=O][N][C][C][C][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][Ring1][=C]
|
[C@H]6(CC[S@@+](C)[O-])C3=O.N18CCN4CC1.C4(=O)C5=O.C7CC8.CN6C.C19CC1.N37.N59
|
C#CCC(CC#C)C(=O)N(C)CC[C@@H](NC(=O)CC1=CCOCC1)C(C)(C)C
|
C#CCCCC#C)))C=O)NC)CC[C@@H]NC=O)CC=CCOCC6)))))))))CC)C)C
|
[C][#C][C][C][Branch1][Ring2][C][C][#C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C]
|
C#CCC(CC#C)C2=O.C3(=O)CC1=CCOCC1.C4C[C@@H]5C(C)(C)C.N24C.N35
|
COc1ccc(C(=O)NCCNC(=O)[C@@H](SCc2ccccc2)C(C)C)nc1N
|
COccccC=O)NCCNC=O)[C@@H]SCcccccc6))))))))CC)C)))))))))nc6N
|
[C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][N][=C][Ring2][Ring1][#Branch2][N]
|
c15ccc%10nc1N.C4(=O)[C@@H]8C(C)C.c1%11ccccc1.C3%10=O.C6C7.CO5.N36.N47.S89.C9%11
|
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