SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
Cc1c(C(=O)N2CC(C)(C)C[C@H]2CNC(=O)c2ccns2)sc2ncnc(N)c12
|
CccC=O)NCCC)C)C[C@H]5CNC=O)cccns5))))))))))))))scncncN)c96
|
[C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=N][S][Ring1][Branch1][S][C][=N][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][N][Ring1][#Branch1]
|
Cc1c6sc2ncnc(N)c12.N13CC(C)(C)C[C@H]18.c17ccns1.C36=O.C47=O.C58.N45
|
C[C@@H](F)CNC(=O)c1ncoc1CNC(=O)CCN(C)C
|
C[C@@H]F)CNC=O)cncoc5CNC=O)CCNC)C
|
[C][C@@H1][Branch1][C][F][C][N][C][=Branch1][C][=O][C][N][=C][O][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C]
|
c17ncoc18.C3(=O)CC6.C[C@@H](F)C4.C27=O.N6(C)C.N24.C58.N35
|
C#C[C@H]1CCCCN1C(=O)[C@@H](CNC(=O)[C@@H]1C[C@H]2C=C[C@@H]1O2)C(C)(C)C
|
C#C[C@H]CCCCN6C=O)[C@@H]CNC=O)[C@@H]C[C@H]C=C[C@@H]6O5))))))))))CC)C)C
|
[C][#C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][C][=C][C@@H1][Ring1][=Branch1][O][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C]
|
C3(=O)[C@@H](C5)C(C)(C)C.C#C[C@H]1CCCCN13.[C@@H]16C[C@H]2C=C[C@@H]1O2.C46=O.N45
|
Cc1cc(C(=O)NCCOCCCNC(=O)[C@@H]2C[C@H]3CC[C@H]2O3)n(C(C)(C)C)n1
|
CcccC=O)NCCOCCCNC=O)[C@@H]C[C@H]CC[C@H]6O5)))))))))))))))))nCC)C)C))n5
|
[C][C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][O][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][O][Ring1][Branch1][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][=Ring2][Ring1][N]
|
Cc1cc%10n%12n1.[C@@H]1%11C[C@H]2CC[C@H]1O2.C7CC9.C%12(C)(C)C.C4%10=O.C8C6.C5%11=O.N48.O67.N59
|
C[C@@H](C(=O)N1CC(O)(CN(C)C(=O)[C@]2(C)CC2(Cl)Cl)C1)C(F)(F)F
|
C[C@@H]C=O)NCCO)CNC)C=O)[C@]C)CC3Cl)Cl)))))))C4)))))CF)F)F
|
[C][C@@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][Ring1][Ring2][Branch1][C][Cl][Cl][C][Ring1][S][C][Branch1][C][F][Branch1][C][F][F]
|
C[C@@H](C3=O)C(F)(F)F.N13CC7(O)C1.[C@@]16(C)CC1(Cl)Cl.N45C.C46=O.C57
|
CN(C(=O)CCCCCC#N)[C@@H]1CCCN(C(=O)[C@@]23CSC[C@@H]2C3)C1
|
CNC=O)CCCCCC#N))))))))[C@@H]CCCNC=O)[C@@]CSC[C@@H]5C6)))))))C6
|
[C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][#N][C@@H1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@@][C][S][C][C@@H1][Ring1][Branch1][C][Ring1][=Branch1][C][Ring1][=C]
|
C4(=O)CCCCCC#N.[C@@H]16CCCN5C1.[C@@]127CSC[C@@H]1C2.CN46.C57=O
|
CCc1cccc2[nH]c(C(=O)N3CCC[C@@H](NC(=O)[C@@H](O)c4cnc[nH]4)C3)cc12
|
CCccccc[nH]cC=O)NCCC[C@@H]NC=O)[C@@H]O)ccnc[nH]5))))))))C6)))))))cc95
|
[C][C][C][=C][C][=C][C][NH1][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][=C][N][=C][NH1][Ring1][Branch1][C][Ring1][S][=C][C][Ring2][Ring1][O][=Ring2][Ring1][#Branch1]
|
c1%10cccc2[nH]c8cc12.N15CCC[C@@H]7C1.C6(=O)[C@H]9O.c19cnc[nH]1.C58=O.CC%10.N67
|
CC1(c2ncc(CCC(=O)N3C[C@H](NC(=O)c4ccoc4)C(C)(C)C3)o2)CC1
|
CCcnccCCC=O)NC[C@H]NC=O)cccoc5)))))))CC)C)C5))))))))o5)))))CC3
|
[C][C][Branch2][Ring2][=N][C][=N][C][=C][Branch2][Ring2][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][#C][O][Ring2][Ring1][Branch2][C][C][Ring2][Ring1][O]
|
N15C[C@H]7C(C)(C)C1.c1%10ncc9o1.C9CC5=O.c18ccoc1.CC1%10CC1.C68=O.N67
|
C[C@](NC(=O)c1ccccc1)(C(=O)N[C@@H]1COCCC1(F)F)C1CCC1
|
C[C@]NC=O)cccccc6))))))))C=O)N[C@@H]COCCC6F)F)))))))))CCCC4
|
[C][C@][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@@H1][C][O][C][C][C][Ring1][=Branch1][Branch1][C][F][F][C][C][C][C][Ring1][Ring2]
|
[C@@H]15COCCC1(F)F.C[C@@]47C3=O.c16ccccc1.C17CCC1.C26=O.N24.N35
|
Cc1ccc(C)c(C(=O)N[C@H]2C[C@](C)(NC(=O)c3cnn4ccnc(N)c34)C2)c1
|
CccccC)cC=O)N[C@H]C[C@]C)NC=O)ccnnccncN)c96)))))))))))C4))))))c6
|
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C@H1][C][C@][Branch1][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=N][N][C][=C][N][=C][Branch1][C][N][C][=Ring1][#Branch2][Ring1][#Branch1][C][Ring2][Ring1][C][=C][Ring2][Ring1][N]
|
c1%10cnn2ccnc(N)c12.Cc1ccc(C)c9c1.[C@H]18C[C@@]7(C)C1.C59=O.C6%10=O.N58.N67
|
CC1(F)CC(C(=O)NCCCCCCNC(=O)C2CC(F)(CF)C2)C1
|
CCF)CCC=O)NCCCCCCNC=O)CCCF)CF))C4))))))))))))))C4
|
[C][C][Branch1][C][F][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][F][Branch1][Ring1][C][F][C][Ring1][#Branch1][C][Ring2][Ring1][Branch2]
|
C5CCCCC6.CC1(F)CC7C1.C18CC9(F)C1.C37=O.C48=O.N35.N46.C9F
|
CCC1(C(=O)N[C@H](C)CC2CC2)CN(C(=O)[C@@H](COC)OC)C1
|
CCCC=O)N[C@H]C)CCCC3)))))))CNC=O)[C@@H]COC)))OC))))C4
|
[C][C][C][Branch1][S][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][C][C][Ring1][Ring1][C][N][Branch1][=N][C][=Branch1][C][=O][C@@H1][Branch1][Ring2][C][O][C][O][C][C][Ring2][Ring1][Branch1]
|
C189CN4C1.C4(=O)[C@H]6C5.[C@@H]7(C)C%10.C38=O.C1%10CC1.CC9.N37.O5C.O6C
|
CC(C)CCCC(=O)N[C@@H]1CN(C(=O)[C@@]2(CO)CC2(F)F)CC[C@H]1O
|
CCC)CCCC=O)N[C@@H]CNC=O)[C@@]CO))CC3F)F)))))CC[C@H]6O
|
[C][C][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@@][Branch1][Ring1][C][O][C][C][Ring1][Branch1][Branch1][C][F][F][C][C][C@H1][Ring1][#C][O]
|
CC(C)CCCC3=O.[C@@H]15CN4CC[C@H]1O.[C@]167CC1(F)F.C46=O.N35.C7O
|
CC(C)C1CC(C(=O)N[C@H]2CC[C@H]2NC(=O)c2cc(Cl)c(Cl)s2)C1
|
CCC)CCCC=O)N[C@H]CC[C@H]4NC=O)cccCl)cCl)s5)))))))))))))C4
|
[C][C][Branch1][C][C][C][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][S][Ring1][#Branch1][C][Ring2][Ring1][Branch1]
|
c17cc(Cl)c(Cl)s1.C19CC8C1.[C@H]15CC[C@H]16.CC9C.C38=O.C47=O.N35.N46
|
O=C(N[C@H](CO)Cc1cnc[nH]1)[C@@H]1C[C@H](O)CN1Cc1cccc(Cl)n1
|
O=CN[C@H]CO))Cccnc[nH]5))))))))[C@@H]C[C@H]O)CN5CcccccCl)n6
|
[O][=C][Branch1][#C][N][C@H1][Branch1][Ring1][C][O][C][C][=C][N][=C][NH1][Ring1][Branch1][C@@H1][C][C@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1]
|
[C@@H]15C[C@H](O)CN14.c17cccc(Cl)n1.[C@H]3(C6)CO.c16cnc[nH]1.O=C25.N23.C47
|
O=C(Cn1cccn1)N1CCc2nc(-c3cccc4c3OCCO4)sc2C1
|
O=CCncccn5))))))NCCcnc-cccccc6OCCO6))))))))))sc5C9
|
[O][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][N][C][C][C][N][=C][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][=Branch1][S][C][=Ring1][#C][C][Ring2][Ring1][Ring1]
|
N15CCc2nc7sc2C1.c17cccc2c1OCCO2.n16cccn1.O=C5C6
|
Cc1ccccc1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c3cccnc23)C[C@@H]1N=[N+]=[N-]
|
Ccccccc6C=O)N[C@@H]CNC=O)cc[nH]ccccnc96))))))))))C[C@@H]5N=[N+]=[N-]
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][N][=C][Ring1][=Branch2][Ring1][=Branch1][C][C@@H1][Ring1][S][N][=N+1][=N-1]
|
[C@@H]16CN5C[C@@H]1N=[N+]=[N-].c18c[nH]c2cccnc12.Cc1ccccc17.C47=O.C58=O.N46
|
CC(C)(C)OC1CC(CC(=O)NCCn2cc(-c3cncnc3)nn2)C1
|
CCC)C)OCCCCC=O)NCCncc-ccncnc6))))))nn5))))))))))C4
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][C][C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][N][C][=C][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][N][=N][Ring1][O][C][Ring2][Ring1][Branch1]
|
n18cc%10nn1.c1%10cncnc1.C16CC9C1.CC5(C)C.C9C4=O.C7C8.O56.N47
|
CCc1scnc1C(=O)N1CCN(C(=O)CSC[C@@H]2CCCO2)[C@H](CCO)C1
|
CCcscnc5C=O)NCCNC=O)CSC[C@@H]CCCO5)))))))))[C@H]CCO)))C6
|
[C][C][C][S][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][S][C][C@@H1][C][C][C][O][Ring1][Branch1][C@H1][Branch1][Ring2][C][C][O][C][Ring2][Ring1][Ring1]
|
N13CCN4[C@H]9C1.c1%10scnc17.[C@@H]18CCCO1.C4(=O)C5.C37=O.C9CO.CC%10.S56.C68
|
CC[C@@H]1C[C@H](C(=O)NCC(C)(C)CO)CCN1C(=O)[C@@H]1COCC[C@H]1C
|
CC[C@@H]C[C@H]C=O)NCCC)C)CO))))))CCN6C=O)[C@@H]COCC[C@H]6C
|
[C][C][C@@H1][C][C@H1][Branch1][S][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][O][C][C][N][Ring1][#C][C][=Branch1][C][=O][C@@H1][C][O][C][C][C@H1][Ring1][=Branch1][C]
|
[C@@H]17C[C@H]5CCN13.[C@@H]16COCC[C@H]1C.C4C(C)(C)CO.C25=O.C36=O.CC7.N24
|
CC1=C(C(=O)NCc2ccc(Oc3cncnc3)cc2)CC1
|
CC=CC=O)NCccccOccncnc6)))))))cc6)))))))))CC4
|
[C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][N][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][C][Ring2][Ring1][Branch1]
|
CC1=C(C4=O)CC1.c18ccc5cc1.c16cncnc1.N47.C78.O56
|
CCCC[C@H](O)C(=O)N(C)[C@H](C)CCNC(=O)CCCCCCCCCO
|
CCCC[C@H]O)C=O)NC)[C@H]C)CCNC=O)CCCCCCCCCO
|
[C][C][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][O]
|
C2(=O)CCCCCCCCCO.CCCC[C@H](O)C1=O.[C@@H]3(C)CC4.N13C.N24
|
CN1CC[C@H](CC(=O)N2CC(N3C[C@H](NC(=O)C(C)(C)CF)CC3=O)C2)C1=O
|
CNCC[C@H]CC=O)NCCNC[C@H]NC=O)CC)C)CF)))))CC5=O))))))C4))))))C5=O
|
[C][N][C][C][C@H1][Branch2][Ring2][Branch2][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch2][N][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][F][C][C][Ring1][=N][=O][C][Ring2][Ring1][C][C][Ring2][Ring1][#Branch2][=O]
|
CN1CC[C@H]7C1=O.N18C[C@H]6CC1=O.C5(=O)C(C)(C)CF.N14CC8C1.C7C4=O.N56
|
CC[C@@H]1CN(C(=O)C2(O)CCC2)CC[C@@H]1NC(=O)c1ccsc1Br
|
CC[C@@H]CNC=O)CO)CCC4)))))CC[C@@H]6NC=O)cccsc5Br
|
[C][C][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][Branch1][C][O][C][C][C][Ring1][Branch1][C][C][C@@H1][Ring1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][Br]
|
[C@@H]18CN3CC[C@@H]15.c17ccsc1Br.C16(O)CCC1.C36=O.C47=O.CC8.N45
|
CO[C@@H](C(=O)NCC(C)(C)C(=O)NCC1(c2ccon2)CC1)C1CC1
|
CO[C@@H]C=O)NCCC)C)C=O)NCCcccon5)))))CC3))))))))))CCC3
|
[C][O][C@@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][Branch2][C][C][=C][O][N][=Ring1][Branch1][C][C][Ring1][Branch2][C][C][C][Ring1][Ring1]
|
C6C(C)(C)C4=O.[C@@H]58C3=O.c1%10ccon1.C19%10CC1.C18CC1.CO5.N36.N47.C79
|
CC(C)C[C@H](CNC(=O)c1cnc2n1CCC2)C(=O)NC1(CC2CCC2)CC1
|
CCC)C[C@H]CNC=O)ccncn5CCC5)))))))))))C=O)NCCCCCC4)))))CC3
|
[C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C][C][Ring1][Branch2]
|
CC(C)C[C@H](C5)C4=O.c17cnc2n1CCC2.C168CC1.C19CCC1.C37=O.N35.N46.C89
|
COc1ccc(C)cc1C(=O)N[C@H](C)CCNC(=O)[C@@H]1CC(C(C)C)=NO1
|
COccccC)cc6C=O)N[C@H]C)CCNC=O)[C@@H]CCCC)C))=NO5
|
[C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][O][Ring1][Branch2]
|
c14ccc(C)cc18.[C@@H]17CC(C(C)C)=NO1.[C@@H]5(C)CC6.C28=O.C37=O.CO4.N25.N36
|
C#CCC(CC#C)C(=O)N1CC(OCCNC(=O)[C@H]2COC[C@@H](C)O2)C1
|
C#CCCCC#C)))C=O)NCCOCCNC=O)[C@H]COC[C@@H]C)O6)))))))))))C4
|
[C][#C][C][C][Branch1][Ring2][C][C][#C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring2][O][C][C][N][C][=Branch1][C][=O][C@H1][C][O][C][C@@H1][Branch1][C][C][O][Ring1][#Branch1][C][Ring1][P]
|
C#CCC(CC#C)C3=O.[C@H]18COC[C@@H](C)O1.N13CC6C1.C5C7.C48=O.O56.N47
|
Cc1nnc2ccc(C(=O)NCCOCCNC(=O)C3CCC3)cc2c1C
|
CcnnccccC=O)NCCOCCNC=O)CCCC4)))))))))))))cc6c%10C
|
[C][C][=N][N][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][=C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2][C]
|
Cc1nnc2ccc%11cc2c1C.C1%10CCC1.C4%11=O.C8C6.C7C9.C5%10=O.N48.O67.N59
|
C=C[C@@H]1COC[C@@H]1NC(=O)C[C@]1(C)CCN(C(=O)c2cncn2C2CC2)C1
|
C=C[C@@H]COC[C@@H]5NC=O)C[C@]C)CCNC=O)ccncn5CCC3)))))))))C5
|
[C][=C][C@@H1][C][O][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][C@][Branch1][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Ring1][C][Ring1][S]
|
C=C[C@@H]1COC[C@@H]15.[C@@]17(C)CCN4C1.c16cncn18.C3(=O)C7.C46=O.C18CC1.N35
|
CNc1scnc1C(=O)N[C@H](C(=O)NCCOCCN=[N+]=[N-])c1cn(C)nn1
|
CNcscnc5C=O)N[C@H]C=O)NCCOCCN=[N+]=[N-]))))))))))ccnC)nn5
|
[C][N][C][S][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][=C][C][=Branch1][C][=O][N][C][C][O][C][C][N][=N+1][=N-1][C][=C][N][Branch1][C][C][N][=N][Ring1][=Branch1]
|
c18scnc19.c1%10cn(C)nn1.[C@H]6%10C3=O.C5CN=[N+]=[N-].C29=O.C7C4.CN8.N26.N37.O45
|
Cc1cnccc1[C@H](C)C(=O)N1CC(O)([C@H](C)NC(=O)c2cc(CO)n(C)n2)C1
|
Cccnccc6[C@H]C)C=O)NCCO)[C@H]C)NC=O)cccCO))nC)n5))))))))C4
|
[C][C][=C][N][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch2][Ring1][Branch2][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][Ring1][C][O][N][Branch1][C][C][N][=Ring1][Branch2][C][Ring2][Ring1][C]
|
Cc1cnccc19.c16cc7n(C)n1.N13CC8(O)C1.[C@@H]9(C)C3=O.[C@@H]58C.C46=O.N45.C7O
|
O=C(NCCC(F)(F)Cn1cc(COCCO)nn1)c1ccc[n+]([O-])c1
|
O=CNCCCF)F)CnccCOCCO)))))nn5))))))))))cccc[n+][O-])c6
|
[O][=C][Branch2][Ring1][#Branch2][N][C][C][C][Branch1][C][F][Branch1][C][F][C][N][C][=C][Branch1][=Branch1][C][O][C][C][O][N][=N][Ring1][#Branch2][C][=C][C][=C][N+1][Branch1][C][O-1][=C][Ring1][#Branch1]
|
C5CC(F)(F)C7.c16ccc[n+]([O-])c1.n17cc8nn1.O=C26.C4CO.N25.C38.O34
|
C[C@@H]1CCCc2ncc(C(=O)NC/C=C\CNC(=O)[C@@]34CC[C@@H](C3)C(C)(C)O4)n21
|
C[C@@H]CCCcnccC=O)NC/C=C\CNC=O)[C@@]CC[C@@H]C5)CC)C)O6))))))))))))))n59
|
[C][C@@H1][C][C][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@@H1][Branch1][Ring2][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][N][Ring2][Ring1][Branch2][Ring2][Ring1][N]
|
C[C@@H]1CCCc2ncc%10n21.[C@@]129CC[C@@H](C1)C(C)(C)O2.C5%10=O.C7C=%11.C=%11C8.C69=O.N57.N68
|
COCCOc1cc(C(=O)NC[C@@H]2CCC3(CCC3)[C@H]2NC(C)=O)ccn1
|
COCCOcccC=O)NC[C@@H]CCCCCC4)))[C@H]5NCC)=O)))))))))))ccn6
|
[C][O][C][C][O][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C@H1][Ring1][Branch2][N][C][Branch1][C][C][=O][=C][C][=N][Ring2][Ring1][=Branch1]
|
[C@@H]1%12CCC2(CCC2)[C@H]1%10.c18cc%11ccn1.C6C7.C4%11=O.C5(C)=O.CO6.O78.N49.C9%12.N5%10
|
Cc1nn(-c2ccccc2)c2nc(C(=O)N3CCN[C@H](C4CCCC4)C3)ccc12
|
Ccnn-cccccc6))))))cncC=O)NCCN[C@H]CCCCC5)))))C6)))))))ccc96
|
[C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][C@H1][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Ring1][O][=C][C][=C][Ring2][Ring1][N][Ring2][Ring1][Ring1]
|
Cc1nn7c2nc6ccc12.N15CCN[C@H]8C1.c17ccccc1.C18CCCC1.C56=O
|
CCO[C@]1(C(=O)N2C[C@H](C(=O)N3CCCCCCCCC3)[C@@H](C)C2)CCOC1
|
CCO[C@]C=O)NC[C@H]C=O)NCCCCCCCCC%10)))))))))))[C@@H]C)C5))))))CCOC5
|
[C][C][O][C@][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][Ring1][#Branch2][C@@H1][Branch1][C][C][C][Ring2][Ring1][C][C][C][O][C][Ring2][Ring1][=Branch2]
|
N15CCCCCCCCC1.N14C[C@H]9[C@@H](C)C1.[C@@]178CCOC1.C48=O.C59=O.CC6.O67
|
C/C=C(\CC)C(=O)N1CCC[C@H](NC(=O)c2sc(CC)nc2C)CC1
|
C/C=C\CC))C=O)NCCC[C@H]NC=O)cscCC))nc5C))))))))CC7
|
[C][/C][=C][Branch1][Ring1][\C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][S][C][Branch1][Ring1][C][C][=N][C][=Ring1][#Branch1][C][C][C][Ring2][Ring1][C]
|
N13CCC[C@H]5CC1.c16sc8nc1C.C=7(CC)C3=O.C46=O.CC=7.N45.C8C
|
CCCCCN(C(=O)[C@@H](F)CC1CN(C(=O)C[C@H](CC)OC)C1)C(C)C
|
CCCCCNC=O)[C@@H]F)CCCNC=O)C[C@H]CC))OC)))))C4)))))))CC)C
|
[C][C][C][C][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C@@H1][Branch1][C][F][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C@H1][Branch1][Ring1][C][C][O][C][C][Ring1][N][C][Branch1][C][C][C]
|
C3(=O)C[C@@H]4CC.C2(=O)[C@@H](F)C7.CCCCC5.C17CN3C1.N256.C6(C)C.O4C
|
Cc1c(Cl)sc(Cl)c1C(=O)N[C@@H](C)CN(C)C(=O)C[C@@H](C)N1CCCC1=O
|
CccCl)scCl)c5C=O)N[C@@H]C)CNC)C=O)C[C@@H]C)NCCCC5=O
|
[C][C][=C][Branch1][C][Cl][S][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][N][C][C][C][C][Ring1][Branch1][=O]
|
Cc1c(Cl)sc(Cl)c16.C3(=O)C[C@H]7C.N17CCCC1=O.[C@H]4(C)C5.C26=O.N35C.N24
|
C[C@@H]1CN(C(=O)CC2CCN(S(C)(=O)=O)CC2)CCCN1C(=O)C1=CCCCC1
|
C[C@@H]CNC=O)CCCCNSC)=O)=O))CC6))))))))CCCN7C=O)C=CCCCC6
|
[C][C@@H1][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][C][C][N][Ring2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][C][C][C][Ring1][=Branch1]
|
C[C@@H]1CN3CCCN14.C4(=O)C1=CCCCC1.C16CCN5CC1.C3(=O)C6.S5(C)(=O)=O
|
O=C(CCCC1CCOCC1)NC[C@H](O)CNC(=O)[C@H](O)C1CCS(=O)(=O)CC1
|
O=CCCCCCCOCC6)))))))))NC[C@H]O)CNC=O)[C@H]O)CCCS=O)=O)CC6
|
[O][=C][Branch1][N][C][C][C][C][C][C][O][C][C][Ring1][=Branch1][N][C][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2]
|
C17CCS(=O)(=O)CC1.O=C2CCC6.C16CCOCC1.C4[C@H](O)C5.C3(=O)[C@@H]7O.N24.N35
|
CCOc1cnc(C(=O)N[C@@H](C)CCNC(=O)Cc2cccc(O)c2F)cn1
|
CCOccncC=O)N[C@@H]C)CCNC=O)CcccccO)c6F)))))))))))))))cn6
|
[C][C][O][C][=C][N][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][F][C][=N][Ring2][Ring1][=Branch2]
|
c1%10cccc(O)c1F.c16cnc9cn1.[C@H]7(C)CC8.C4(=O)C%10.C39=O.CC5.O56.N37.N48
|
Cc1cc(=NCc2nn[nH]c2C2CC2)[nH]c(=NCc2c(C)cccc2Br)[nH]1
|
Cccc=NCcnn[nH]c5CCC3))))))))))[nH]c=NCccC)cccc6Br)))))))))[nH]6
|
[C][C][=C][C][=Branch1][#C][=N][C][C][N][=N][NH1][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][NH1][C][=Branch1][#C][=N][C][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][Br][NH1][Ring2][Ring1][#Branch2]
|
Cc1cc(=NC3)[nH]c(=NC4)[nH]1.c14c(C)cccc1Br.c13nn[nH]c15.C15CC1
|
CC(C)C(CNC(=O)C[C@@]12CC[C@@H]1CN(C(=O)C1=CCSC1)C2)C(C)C
|
CCC)CCNC=O)C[C@@]CC[C@@H]4CNC=O)C=CCSC5))))))C7)))))))))))CC)C
|
[C][C][Branch1][C][C][C][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][C][C@@][C][C][C@@H1][Ring1][Ring2][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][S][C][Ring1][Branch1][C][Ring1][=C][C][Branch1][C][C][C]
|
CC(C)C(C5)C(C)C.[C@@]126CC[C@@H]1CN4C2.C4(=O)C1=CCSC1.C3(=O)C6.N35
|
N=c1nc(CCNC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)[nH][nH]1
|
N=cncCCNC=O)NCCOC[C@@H]6C[C@@H]O)cccco5)))))))))))))))))[nH][nH]5
|
[N][=C][N][=C][Branch2][Ring1][N][C][C][N][C][=Branch1][C][=O][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][C@@H1][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1][NH1][NH1][Ring2][Ring1][Branch2]
|
N14CCOC[C@@H]16.N=c1nc7[nH][nH]1.c18ccco1.C6[C@H]8O.C7C5.C34=O.N35
|
CC(C)(C)n1ccc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]2O)n1
|
CCC)C)ncccC=O)N[C@@H]CNC=O)cc[nH]cC#N))c5))))))C[C@@H]5O))))))))n5
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][NH1][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch1][C][C@@H1][Ring1][=C][O][=N][Ring2][Ring1][#Branch1]
|
[C@@H]16CN5C[C@@H]1O.c18c[nH]c(C#N)c1.n19ccc7n1.CC9(C)C.C47=O.C58=O.N46
|
CCS[C@@H](C)C(=O)N[C@]12CCC[C@H]1CN(C(=O)CCn1cc(C)cn1)C2
|
CCS[C@@H]C)C=O)N[C@]CCC[C@H]5CNC=O)CCnccC)cn5))))))))C8
|
[C][C][S][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@][C][C][C][C@H1][Ring1][Branch1][C][N][Branch1][P][C][=Branch1][C][=O][C][C][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][C]
|
[C@]127CCC[C@H]1CN4C2.n18cc(C)cn1.[C@H]6(C)C3=O.C4(=O)CC8.CC5.S56.N37
|
Cc1ccc(C)c(C(=O)NCC[C@@H]2CN(C(=O)C[C@@]3(C)CCCO3)CCO2)c1
|
CccccC)cC=O)NCC[C@@H]CNC=O)C[C@@]C)CCCO5)))))))CCO6))))))))))c6
|
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][C@@][Branch1][C][C][C][C][C][O][Ring1][=Branch1][C][C][O][Ring1][#C][=C][Ring2][Ring1][O]
|
Cc1ccc(C)c7c1.[C@@H]18CN5CCO1.[C@]19(C)CCCO1.C5(=O)C9.C47=O.C6C8.N46
|
CO[C@]1(CN=c2[nH]c(C)cc(=NCC[C@H]3CC(=O)N(C)C3)[nH]2)CCSC1
|
CO[C@]CN=c[nH]cC)cc=NCC[C@H]CC=O)NC)C5))))))))[nH]6))))))))CCSC5
|
[C][O][C@][Branch2][Ring1][S][C][N][=C][NH1][C][Branch1][C][C][=C][C][=Branch1][P][=N][C][C][C@H1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch1][NH1][Ring1][P][C][C][S][C][Ring2][Ring1][Branch2]
|
C5N=c1[nH]c(C)cc(=NCC6)[nH]1.[C@H]16CC(=O)N(C)C1.[C@@]145CCSC1.CO4
|
CSCC1(C(=O)NC[C@H]2C[C@H]2CC(=O)N2CCCc3occc3C2)CCC1
|
CSCCC=O)NC[C@H]C[C@H]3CC=O)NCCCcoccc5C%10))))))))))))))))))CCC4
|
[C][S][C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C@H1][C][C@H1][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][O][C][=C][C][=Ring1][Branch1][C][Ring1][#Branch2][C][C][C][Ring2][Ring1][Branch2]
|
N15CCCc2occc2C1.C189CCC1.[C@H]1%10C[C@H]1%11.C%11C5=O.C48=O.CS7.C79.N46.C6%10
|
CSc1ccc(C(=O)N2C[C@H]3CCN(C(=O)c4cc(C)c(C)cn4)C[C@H]32)o1
|
CSccccC=O)NC[C@H]CCNC=O)cccC)cC)cn6)))))))C[C@H]68)))))))))o5
|
[C][S][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=N][Ring1][Branch2][C][C@H1][Ring1][S][Ring2][Ring1][C][O][Ring2][Ring1][=Branch2]
|
N15C[C@H]2CCN6C[C@H]21.c18cc(C)c(C)cn1.c19ccc7o1.C57=O.C68=O.CS9
|
C=C[C@H](C)CC(=O)N1CCN(C(=O)CSc2n[nH]c(C)n2)C[C@@H]1CCO
|
C=C[C@H]C)CC=O)NCCNC=O)CScn[nH]cC)n5))))))))C[C@@H]6CCO
|
[C][=C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][S][C][=N][NH1][C][Branch1][C][C][=N][Ring1][=Branch1][C][C@@H1][Ring1][S][C][C][O]
|
N13CCN4C[C@@H]16.C=C[C@H](C)CC3=O.c17n[nH]c(C)n1.C4(=O)C5.C6CO.S57
|
CCCNC(=O)NC(C)(C)C(=O)NCC[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]2C[C@@H]2C1
|
CCCNC=O)NCC)C)C=O)NCC[C@@H]COCCN6C=O)[C@@H]C[C@@H]C[C@@H]3C6
|
[C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][C@@H1][Ring1][Ring1][C][Ring1][=Branch1]
|
[C@@H]1%11COCCN16.C8(C)(C)C5=O.[C@@H]1%10C[C@@H]2C[C@@H]2C1.CCC7.C34=O.C9C%11.C6%10=O.N37.N48.N59
|
O=C(C=CSc1nc[nH]n1)N1CCCN(C(=O)[C@@H](O)Cc2cnc[nH]2)CCC1
|
O=CC=CScnc[nH]n5))))))))NCCCNC=O)[C@@H]O)Cccnc[nH]5))))))))CCC8
|
[O][=C][Branch1][O][C][=C][S][C][N][=C][NH1][N][=Ring1][Branch1][N][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][=C][N][=C][NH1][Ring1][Branch1][C][C][C][Ring2][Ring1][C]
|
N13CCCN4CCC1.O=C3C=CS6.C4(=O)[C@@H](O)C5.c16nc[nH]n1.c15cnc[nH]1
|
C[C@@H]1CN(C(=O)[C@H]2CCCC(C)(C)CC2)CC[C@@H]1NC(=O)c1ccc(F)cc1N
|
C[C@@H]CNC=O)[C@H]CCCCC)C)CC7))))))))CC[C@@H]6NC=O)ccccF)cc6N
|
[C][C@@H1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C@H1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2][C][C][C@@H1][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N]
|
[C@H]16CCCC(C)(C)CC1.C[C@@H]1CN3CC[C@@H]15.c17ccc(F)cc1N.C36=O.C47=O.N45
|
O=S(=O)(N[C@H]1COC[C@H]1F)c1ccc2[nH]c(=NCCn3cnnc3)sc2c1
|
O=S=O)N[C@H]COC[C@H]5F)))))))cccc[nH]c=NCCncnnc5))))))))sc5c9
|
[O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C@H1][C][O][C][C@H1][Ring1][Branch1][F][C][=C][C][=C][NH1][C][=Branch1][O][=N][C][C][N][C][=N][N][=C][Ring1][Branch1][S][C][Ring1][=N][=C][Ring1][P]
|
O=S4(=O)c1ccc2[nH]c(=NCC6)sc2c1.[C@H]15COC[C@H]1F.n16cnnc1.N45
|
C=CC[C@@]1(NC(=O)[C@H](C)NC(N)=O)CCN(C(=O)C[C@@H](O)CN(C)C)C1
|
C=CC[C@@]NC=O)[C@H]C)NCN)=O))))))CCNC=O)C[C@@H]O)CNC)C))))))C5
|
[C][=C][C][C@@][Branch1][S][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][Branch1][C][N][=O][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C@@H1][Branch1][C][O][C][N][Branch1][C][C][C][C][Ring2][Ring1][#Branch1]
|
[C@@]158CCN4C1.C4(=O)C[C@@H](O)C7.C2(=O)[C@@H]6C.C=CC8.C3(N)=O.N7(C)C.N25.N36
|
O=C(N[C@@H]1CN(C(=O)[C@@H]2COc3ccc(F)cc32)C[C@@H]1F)c1cc2c(s1)CCC2
|
O=CN[C@@H]CNC=O)[C@@H]COccccF)cc69))))))))))C[C@@H]5F)))))))ccccs5)CCC5
|
[O][=C][Branch2][Ring1][P][N][C@@H1][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][C@@H1][Ring1][P][F][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1]
|
C5(=O)[C@@H]1COc2ccc(F)cc21.c17cc2c(s1)CCC2.[C@@H]16CN5C[C@@H]1F.O=C47.N46
|
O=C(N[C@@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H](O)C(F)F)c1ccc2c[nH]nc2c1
|
O=CN[C@@H]Ccccccc6[C@H]9NC=O)[C@@H]O)CF)F)))))))))))))))ccccc[nH]nc5c9
|
[O][=C][Branch2][Ring1][=N][N][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring1][=Branch2][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][Branch1][C][F][F][C][C][=C][C][=C][NH1][N][=C][Ring1][Branch1][C][=Ring1][=Branch2]
|
[C@@H]15Cc2ccccc2[C@H]1N4.c16ccc2c[nH]nc2c1.C4(=O)[C@@H](O)C(F)F.O=C36.N35
|
Cc1ccc(CCCC(=O)NCCN(C(=O)[C@@H]2CCn3cnnc3C2)C2CC2)s1
|
CccccCCCC=O)NCCNC=O)[C@@H]CCncnnc5C9))))))))))CCC3)))))))))))s5
|
[C][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@@H1][C][C][N][C][=N][N][=C][Ring1][Branch1][C][Ring1][=Branch2][C][C][C][Ring1][Ring1][S][Ring2][Ring1][N]
|
[C@@H]19CCn2cnnc2C1.Cc1ccc%10s1.C%10CCC4=O.C6C7.N578.C59=O.C18CC1.N46
|
C#CCCCCCCC(=O)NC[C@@H]1CN(C(=O)c2cc[nH]c2C)[C@H]2COC[C@@H]2O1
|
C#CCCCCCCC=O)NC[C@@H]CNC=O)ccc[nH]c5C)))))))[C@H]COC[C@@H]5O9
|
[C][#C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][NH1][C][=Ring1][Branch1][C][C@H1][C][O][C][C@@H1][Ring1][Branch1][O][Ring1][P]
|
C#CCCCCCCC3=O.[C@@H]17CN4[C@H]2COC[C@@H]2O1.c16cc[nH]c1C.C46=O.N35.C57
|
NS(=O)(=O)NCC(=O)N1CC[C@H]2CCN(C(=O)c3nnc(O)cc3O)C[C@H]21
|
NS=O)=O)NCC=O)NCC[C@H]CCNC=O)cnncO)cc6O))))))))C[C@H]69
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=N][N][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][C@H1][Ring1][S][Ring2][Ring1][Ring1]
|
N14CC[C@H]2CCN5C[C@H]21.c17nnc(O)cc1O.NS(=O)(=O)N6.C6C4=O.C57=O
|
CN(Cc1cn(C)nn1)[C@H]1CCN(C(=O)c2cc(C(F)(F)F)ncn2)C1
|
CNCccnC)nn5))))))[C@H]CCNC=O)cccCF)F)F))ncn6)))))))C5
|
[C][N][Branch1][N][C][C][=C][N][Branch1][C][C][N][=N][Ring1][=Branch1][C@H1][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=N][Ring1][#Branch2][C][Ring1][P]
|
c16cc8ncn1.c17cn(C)nn1.[C@H]15CCN3C1.C8(F)(F)F.CN45.C36=O.C47
|
Cc1cc(NC(=O)[C@@]23CCN(C(=O)[C@H](C)OC(C)(C)C)CC[C@@H]2C3)ccc1F
|
CcccNC=O)[C@@]CCNC=O)[C@H]C)OCC)C)C)))))CC[C@@H]7C8))))))))))ccc6F
|
[C][C][=C][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C@@][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C@@H1][Ring1][S][C][Ring1][P][=C][C][=C][Ring2][Ring1][#Branch2][F]
|
[C@@]129CCN5CC[C@@H]1C2.Cc1cc8ccc1F.C5(=O)[C@@H]6C.C7(C)(C)C.C49=O.N48.O67
|
Cc1cc(F)c(C(=O)NCc2cc(Br)co2)cc1F
|
CcccF)cC=O)NCcccBr)co5))))))))cc6F
|
[C][C][=C][C][Branch1][C][F][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][Br][=C][O][Ring1][=Branch1][C][=C][Ring1][P][F]
|
Cc1cc(F)c5cc1F.c16cc(Br)co1.C35=O.N34.C46
|
C[C@H](c1nccs1)N(C)C(=O)C1(CCNC(=O)[C@H]2CCCC23CCC3)CC1
|
C[C@H]cnccs5)))))NC)C=O)CCCNC=O)[C@H]CCCC5CCC4))))))))))))CC3
|
[C][C@H1][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][C][Ring1][Branch1][C][C][C][Ring1][Ring2][C][C][Ring1][S]
|
[C@H]19CCCC12CCC2.c1%10nccs1.C18%11CC1.C[C@@H]6%10.N46C.C48=O.C%11C7.C59=O.N57
|
Cc1cnc(C(=O)NC[C@H](CC(F)(F)F)NC(=O)[C@@H](C)O)nc1
|
CccncC=O)NC[C@H]CCF)F)F)))NC=O)[C@@H]C)O))))))))nc6
|
[C][C][=C][N][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C@H1][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][O][N][=C][Ring2][Ring1][=Branch1]
|
C4[C@@H]5CC(F)(F)F.Cc1cnc6nc1.C3(=O)[C@@H](C)O.C26=O.N24.N35
|
CC(C)(O)CC(=O)NC[C@@H]1CCN(C(=O)[C@H](F)c2ccc(F)cc2)C[C@@H]1C1CC1
|
CCC)O)CC=O)NC[C@@H]CCNC=O)[C@H]F)ccccF)cc6))))))))C[C@@H]6CCC3
|
[C][C][Branch1][C][C][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C@H1][Branch1][C][F][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C@@H1][Ring1][P][C][C][C][Ring1][Ring1]
|
[C@@H]16CCN4C[C@@H]1C1CC1.CC(C)(O)CC3=O.c17ccc(F)cc1.C4(=O)[C@@H]7F.N35.C56
|
CC#CCCCC(=O)NCCCCCCNC(=O)c1ccn2cnnc2c1
|
CC#CCCCC=O)NCCCCCCNC=O)cccncnnc5c9
|
[C][C][#C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][=C][N][C][=N][N][=C][Ring1][Branch1][C][=Ring1][=Branch2]
|
c17ccn2cnnc2c1.CC#CCCCC3=O.C5CCCCC6.C47=O.N35.N46
|
Cc1cc([C@@H](C)C(=O)N2CC(F)(c3cn(Cc4cccc(F)c4)nn3)C2)c(C)o1
|
Cccc[C@@H]C)C=O)NCCF)ccnCcccccF)c6)))))))nn5)))))C4))))))cC)o5
|
[C][C][=C][C][Branch2][Ring2][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch2][Ring1][=Branch1][C][=C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=N][Ring1][=N][C][Ring2][Ring1][C][=C][Branch1][C][C][O][Ring2][Ring1][N]
|
Cc1cc7c(C)o1.c18cccc(F)c1.N15CC9(F)C1.c19cn6nn1.[C@H]7(C)C5=O.C68
|
CCNC(=O)CCCC(=O)N(C)[C@@H]1CN(C(=O)CCOCCN(C)C)CC12CC2
|
CCNC=O)CCCC=O)NC)[C@@H]CNC=O)CCOCCNC)C))))))))CC5CC3
|
[C][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][O][C][C][N][Branch1][C][C][C][C][C][Ring1][#C][C][C][Ring1][Ring1]
|
C3(=O)CCCC4=O.[C@@H]1%10CN5CC12CC2.C5(=O)CC6.N4%10C.C7C9.N9(C)C.CC8.N38.O67
|
O=C(COCc1nc[nH]n1)NCCC[C@@H](O)C(=O)Nn1cnnc1
|
O=CCOCcnc[nH]n5))))))))NCCC[C@@H]O)C=O)Nncnnc5
|
[O][=C][Branch1][O][C][O][C][C][N][=C][NH1][N][=Ring1][Branch1][N][C][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][N][C][=N][N][=C][Ring1][Branch1]
|
C5CC[C@@H](O)C(=O)Nn1cnnc1.c16nc[nH]n1.O=C2C3.O34.C46.N25
|
O=C(c1csc(C(F)(F)F)n1)N1CC[C@H]([C@H]2CCN(C(=O)C34CC(F)(C3)C4)C2)C1
|
O=CccscCF)F)F))n5)))))NCC[C@H][C@H]CCNC=O)CCCF)C4)C4)))))C5)))))C5
|
[O][=C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][N][C][C][C@H1][Branch2][Ring1][=N][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][Branch1][C][F][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][=Branch1][C][Ring1][=N][C][Ring2][Ring1][C]
|
N15CC[C@H]([C@H]2CCN6C2)C1.c17csc9n1.C128CC(F)(C1)C2.C9(F)(F)F.O=C57.C68=O
|
CC(=O)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nnnn2C)CC1
|
CC=O)OC[C@H]NC=O)OCC)C)C)))))C=O)NCCCcnnnn5C))))))CC6
|
[C][C][=Branch1][C][=O][O][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=N][N][=N][N][Ring1][Branch1][C][C][C][Ring1][N]
|
N16CCC%10CC1.C7[C@H]9C6=O.c1%10nnnn1C.C8(C)(C)C.CC3=O.C45=O.O37.N59.O48
|
O=C(N[C@H]1CCC[C@@H](C(=O)Nc2nc(Cl)c(Br)cc2I)C1)c1ccc(F)cc1Cl
|
O=CN[C@H]CCC[C@@H]C=O)NcncCl)cBr)cc6I)))))))))C6)))))))ccccF)cc6Cl
|
[O][=C][Branch2][Ring2][C][N][C@H1][C][C][C][C@@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][Cl][=C][Branch1][C][Br][C][=C][Ring1][Branch2][I][C][Ring2][Ring1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl]
|
c15nc(Cl)c(Br)cc1I.c18ccc(F)cc1Cl.[C@H]16CCC[C@@H]7C1.O=C38.C47=O.N36.N45
|
C=Cn1nccc1C(=O)N1CCC2(CC1)CN(C(=O)C(C)=CC1CC1)[C@H]2C(C)C
|
C=Cnnccc5C=O)NCCCCC6))CNC=O)CC)=CCCC3))))))[C@H]4CC)C
|
[C][=C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][C][C][Ring1][Ring1][C@H1][Ring1][=C][C][Branch1][C][C][C]
|
N13CCC2(CC1)CN4[C@H]27.C=Cn1nccc15.C4(=O)C=6C.C=6C1CC1.C35=O.C7(C)C
|
CC[C@@H](CN(C)C(=O)C1(C(F)F)CCOCC1)NC(=O)[C@H]1CC[C@@H](C(=O)OC)O1
|
CC[C@@H]CNC)C=O)CCF)F))CCOCC6)))))))))NC=O)[C@H]CC[C@@H]C=O)OC)))O5
|
[C][C][C@@H1][Branch2][Ring1][=Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][F][F][C][C][O][C][C][Ring1][=Branch2][N][C][=Branch1][C][=O][C@H1][C][C][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][O][Ring1][=Branch2]
|
C19%10CCOCC1.[C@H]17CC[C@@H]8O1.CC[C@H]5C6.N36C.C39=O.C%10(F)F.C47=O.C28=O.N45.O2C
|
C[C@]1(CNC(=NCC2CCC2)NC[C@H]2Cc3ccccc3O2)CC1(Cl)Cl
|
C[C@]CNC=NCCCCC4))))))NC[C@H]Ccccccc6O9))))))))))))))CC3Cl)Cl
|
[C][C@][Branch2][Ring1][=N][C][N][C][=Branch1][=Branch2][=N][C][C][C][C][C][Ring1][Ring2][N][C][C@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring2][Ring1][#Branch1][Branch1][C][Cl][Cl]
|
[C@H]16Cc2ccccc2O1.N4C(=NC8)N5.C[C@]17CC1(Cl)Cl.C18CCC1.C47.C56
|
C[C@@H](C#N)C(=O)NCc1ccccc1CNC(=O)[C@H]1[C@@H]2CC(F)(F)C[C@@H]21
|
C[C@@H]C#N))C=O)NCcccccc6CNC=O)[C@H][C@@H]CCF)F)C[C@@H]56
|
[C][C@@H1][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C@H1][C@@H1][C][C][Branch1][C][F][Branch1][C][F][C][C@@H1][Ring1][#Branch1][Ring1][Branch2]
|
[C@@H]17[C@H]2CC(F)(F)C[C@@H]12.c18ccccc19.C[C@@H](C#N)C3=O.C47=O.N35.C58.C69.N46
|
CC[C@H](CC(=O)N[C@@H]1COCCN(C(=O)CCC(C)(C)C(=O)OC)C1)C1CC1
|
CC[C@H]CC=O)N[C@@H]COCCNC=O)CCCC)C)C=O)OC)))))))C7))))))))))CCC3
|
[C][C][C@H1][Branch2][Ring2][#Branch1][C][C][=Branch1][C][=O][N][C@@H1][C][O][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][C][C][C][C][Ring1][Ring1]
|
C4(=O)CCC(C)(C)C2=O.[C@@H]15COCCN4C1.CC[C@@H]6CC3=O.C16CC1.N35.O2C
|
CNS(=O)(=O)c1csc(C(=O)N2CCCN(C(=O)Cc3c(C)noc3C)CC2)c1
|
CNS=O)=O)ccscC=O)NCCCNC=O)CccC)noc5C))))))))CC7))))))))c5
|
[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C][Ring1][P][=C][Ring2][Ring1][Branch2]
|
S6(=O)(=O)c1csc7c1.N14CCCN5CC1.c18c(C)noc1C.C5(=O)C8.C47=O.CN6
|
CCC1C[C@H]2CC[C@@H](C1)N2C(=O)C1(NC(=O)[C@H](C)[C@@H](O)[C@@H](C)CC)CCCCC1
|
CCCC[C@H]CC[C@@H]C7)N5C=O)CNC=O)[C@H]C)[C@@H]O)[C@@H]C)CC)))))))CCCCC6
|
[C][C][C][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][C][C][C][C][C][C][C][Ring1][P]
|
C4(=O)[C@H](C)[C@@H](O)[C@@H](C)CC.C17C[C@H]2CC[C@@H](C1)N23.C156CCCCC1.C36=O.CC7.N45
|
CCc1ccc(CC(=O)N2CC[C@H]3CCCN(C(=O)CC4CC4)[C@@H]3C2)cc1F
|
CCccccCC=O)NCC[C@H]CCCNC=O)CCCC3)))))[C@@H]6C%10))))))))))))cc6F
|
[C][C][C][=C][C][=C][Branch2][Ring1][S][C][C][=Branch1][C][=O][N][C][C][C@H1][C][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring1][C@@H1][Ring1][N][C][Ring1][S][C][=C][Ring2][Ring1][=Branch2][F]
|
N15CC[C@H]2CCCN6[C@@H]2C1.c18ccc9cc1F.C9C5=O.C6(=O)C7.C17CC1.CC8
|
FC(F)(F)CCCn1ncc2ccc(N[C@H]3CCCC4(CCC4)C3)cc21
|
FCF)F)CCCnncccccN[C@H]CCCCCCC4)))C6)))))))cc69
|
[F][C][Branch1][C][F][Branch1][C][F][C][C][C][N][N][=C][C][=C][C][=C][Branch1][P][N][C@H1][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][=Branch2][C][=C][Ring1][S][Ring2][Ring1][Ring1]
|
n17ncc2ccc5cc21.[C@H]16CCCC2(CCC2)C1.FC(F)(F)CCC7.N56
|
CN(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)C[C@@H]1O
|
CNC)CC)C)C=O)N[C@H]CCNC=O)[C@@H][C@@H]cccccc6))))))C3C)C)))))C[C@@H]6O
|
[C][N][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][Branch1][C][C][C][C][C@@H1][Ring2][Ring1][Ring1][O]
|
[C@H]17CCN5C[C@@H]1O.C6(C)(C)C4=O.[C@@H]18[C@@H]9C1(C)C.c19ccccc1.CN6C.C58=O.N47
|
CN(C)C[C@@H](CC(=O)N1CC(F)(F)C[C@H]1CCNC(=O)c1cncn1C)C(F)F
|
CNC)C[C@@H]CC=O)NCCF)F)C[C@H]5CCNC=O)ccncn5C)))))))))))))))))CF)F
|
[C][N][Branch1][C][C][C][C@@H1][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][C][C@H1][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][N][Ring1][Branch1][C][C][Branch1][C][F][F]
|
C4[C@@H](CC2=O)C(F)F.N12CC(F)(F)C[C@H]17.c16cncn1C.CN4C.C7C5.C36=O.N35
|
CO[C@H](C(=O)N1CCC[C@@]1(C)Cc1ccccc1F)C1CCCCC1
|
CO[C@H]C=O)NCCC[C@@]5C)Ccccccc6F))))))))))))))CCCCCC6
|
[C][O][C@H1][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C@@][Ring1][Branch1][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][C][C][C][Ring1][=Branch1]
|
N12CCC[C@]14C.c16ccccc1F.C15CCCCC1.[C@H]35C2=O.CO3.C46
|
Oc1nc(-c2nc([C@@H]3CCOC3)nn2C[C@@H]2CCCCO2)cc2cncn12
|
Ocnc-cnc[C@@H]CCOC5)))))nn5C[C@@H]CCCCO6))))))))))))cccncn95
|
[O][C][=N][C][Branch2][Ring1][#Branch2][C][=N][C][Branch1][Branch2][C@@H1][C][C][O][C][Ring1][Branch1][=N][N][Ring1][#Branch2][C][C@@H1][C][C][C][C][O][Ring1][=Branch1][=C][C][=C][N][=C][N][Ring2][Ring1][#Branch2][Ring1][Branch1]
|
Oc1nc6cc2cncn12.c16nc7nn14.[C@@H]15CCCCO1.[C@@H]17CCOC1.C45
|
COc1c(F)ccc(F)c1CN1CC(O)(CNC(=O)c2ccc(C#N)c(C)c2)C1
|
COccF)cccF)c6CNCCO)CNC=O)ccccC#N))cC)c6)))))))))C4
|
[C][O][C][=C][Branch1][C][F][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][N][C][C][Branch1][C][O][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][C][=C][Ring1][=Branch2][C][Ring2][Ring1][C]
|
c14c(F)ccc(F)c19.c17ccc(C#N)c(C)c1.N15CC8(O)C1.C37=O.CO4.C59.C68.N36
|
CCOC(=O)[C@H](CC)NC(=O)[C@@H](C)n1cc(-c2cc(F)cnc2OC)nn1
|
CCOC=O)[C@H]CC))NC=O)[C@@H]C)ncc-cccF)cnc6OC))))))))nn5
|
[C][C][O][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][=C][Branch1][=C][C][=C][C][Branch1][C][F][=C][N][=C][Ring1][#Branch1][O][C][N][=N][Ring1][=C]
|
c19cc(F)cnc16.C3(=O)[C@@H]7CC.n18cc9nn1.C4(=O)[C@H]8C.CC5.O35.N47.O6C
|
CC(C)(C)C(=O)N1CC2(CO[C@H](CNC(=O)c3c(F)ccc4occc34)C2)C1
|
CCC)C)C=O)NCCCO[C@H]CNC=O)ccF)cccoccc95))))))))))))C5))))C4
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][P][C][O][C@H1][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][O][C][=C][C][Ring1][#Branch2][=Ring1][Branch1][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][=Branch1]
|
c18c(F)ccc2occc12.N15CC2(CO[C@H]9C2)C1.CC(C)(C)C5=O.C68=O.C79.N67
|
COc1c(C(=O)N2C[C@H](CNC(=O)c3ccccc3)C(C)(C)C2)ccnc1Cl
|
COccC=O)NC[C@H]CNC=O)cccccc6)))))))))CC)C)C5))))))ccnc6Cl
|
[C][O][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][P][C][=C][N][=C][Ring2][Ring1][=Branch2][Cl]
|
c16c8ccnc1Cl.N14C[C@H]%10C(C)(C)C1.c19ccccc1.C48=O.C59=O.CO6.C7%10.N57
|
N[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)C(=O)N2)Cc1ccc([N+](=O)[O-])cc1
|
N[C@@H]CC=O)NC[C@H]CC[C@@H]C7)C=O)N6))))))))))Ccccc[N+]=O)[O-]))cc6
|
[N][C@@H1][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
|
N13C[C@H]2CC[C@@H](C1)C(=O)N2.c14ccc([N+](=O)[O-])cc1.N[C@H](C4)CC3=O
|
Cc1cscc1CNc1ccc(S(=O)(=O)NCCCC(N)=O)cc1F
|
Cccscc5CNccccS=O)=O)NCCCCN)=O)))))))cc6F
|
[C][C][=C][S][C][=C][Ring1][Branch1][C][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][C][N][=O][C][=C][Ring1][S][F]
|
c15ccc(S4(=O)=O)cc1F.Cc1cscc16.C3CCC(N)=O.C26.N25.N34
|
Cc1[nH]nc(Br)c1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccnc(C(C)C)n3)[C@@H]2C1
|
Cc[nH]ncBr)c5C=O)NC[C@@H][C@@H]CNC=O)cccncCC)C))n6)))))))))[C@@H]3C6
|
[C][C][NH1][N][=C][Branch1][C][Br][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][C@@H1][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][=Branch2][C@@H1][Ring1][S][C][Ring2][Ring1][Ring1]
|
Cc1[nH]nc(Br)c18.N14C[C@@H]2[C@@H]%10[C@@H]2C1.c17ccnc9n1.C48=O.C57=O.C9(C)C.C6%10.N56
|
C=C[C@](C)(CC)C(=O)N(C)CCOCCNC(=O)[C@H]1CC(=O)CC12CCC2
|
C=C[C@]C)CC))C=O)NC)CCOCCNC=O)[C@H]CC=O)CC5CCC4
|
[C][=C][C@][Branch1][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][O][C][C][N][C][=Branch1][C][=O][C@H1][C][C][=Branch1][C][=O][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring2]
|
[C@H]19CC(=O)CC12CCC2.C=C[C@](C)(CC)C3=O.N37C.C7C5.C6C8.C49=O.O56.N48
|
COc1ccc([N+](=O)[O-])c(C(=O)NCC2(O)CN(Cc3cc(Cl)cnc3Cl)C2)n1
|
COcccc[N+]=O)[O-]))cC=O)NCCO)CNCcccCl)cnc6Cl))))))))C4)))))))n6
|
[C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][N][Branch1][=C][C][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][Cl][C][Ring1][=C][=N][Ring2][Ring1][O]
|
c15ccc([N+](=O)[O-])c8n1.c1%10cc(Cl)cnc1Cl.C19(O)CN7C1.C48=O.CO5.N46.C69.C7%10
|
COC(=O)[C@H]1C[C@H](C(=O)N(C)CCCNC(=O)[C@@H]2CC23CCSCC3)C1
|
COC=O)[C@H]C[C@H]C=O)NC)CCCNC=O)[C@@H]CC3CCSCC6)))))))))))))))C4
|
[C][O][C][=Branch1][C][=O][C@H1][C][C@H1][Branch2][Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][C][C][S][C][C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1]
|
[C@@H]1%11CC12CCSCC2.[C@H]19C[C@H]%10C1.C7CC8.C49=O.C5%10=O.N57C.C6%11=O.CO4.N68
|
C#Cc1ccc(F)c(C(=O)N2CCC[C@H]3[C@@H]2CCN3C(=O)COCC(C)C)c1
|
C#CccccF)cC=O)NCCC[C@H][C@@H]6CCN5C=O)COCCC)C))))))))))))))))c6
|
[C][#C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][C@H1][C@@H1][Ring1][=Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][O][C][C][Branch1][C][C][C][=C][Ring2][Ring1][#Branch2]
|
N14CCC[C@H]2[C@@H]1CCN25.C#Cc1ccc(F)c8c1.C5(=O)C6.C7C(C)C.C48=O.O67
|
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