SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
CC[C@@H]1CC[C@@H](C(=O)NC[C@@](C)(NC(=O)C(N)=O)C2CC2)O1
|
CC[C@@H]CC[C@@H]C=O)NC[C@@]C)NC=O)CN)=O))))CCC3)))))))O5
|
[C][C][C@@H1][C][C][C@@H1][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][N][=O][C][C][C][Ring1][Ring1][O][Ring2][Ring1][Ring2]
|
[C@@H]18CC[C@@H]7O1.C5[C@@]69C.C4(=O)C(N)=O.C37=O.C19CC1.CC8.N35.N46
|
CC(F)(F)CCCS(=O)(=O)NC(=O)CCC1(N)CCCC1
|
CCF)F)CCCS=O)=O)NC=O)CCCN)CCCC5
|
[C][C][Branch1][C][F][Branch1][C][F][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][C][C][Branch1][C][N][C][C][C][C][Ring1][=Branch1]
|
CC(F)(F)CCCS3(=O)=O.C14(N)CCCC1.C2(=O)CC4.N23
|
O=C(NNc1nc(Cl)ncc1F)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1
|
O=CNNcncCl)ncc6F)))))))))C=O)NcccCl)ccCF)F)F))c6
|
[O][=C][Branch1][#C][N][N][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O]
|
O=C(NNc1nc(Cl)ncc1F)C2=O.c13cc4cc(Cl)c1.C4(F)(F)F.N23
|
COC(=O)CN(C)C(=O)c1conc1[C@@H](C)NC(=O)c1c(O)cccc1F
|
COC=O)CNC)C=O)cconc5[C@@H]C)NC=O)ccO)cccc6F
|
[C][O][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][O][N][=C][Ring1][Branch1][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][F]
|
c18c(O)cccc1F.c17conc19.C2(=O)C5.N35C.C37=O.[C@H]69C.C48=O.CO2.N46
|
CS[C@@H](C)C(=O)NC[C@@H]1CC12CCN(C(=O)c1cnc(C)nc1)CC2
|
CS[C@@H]C)C=O)NC[C@@H]CC3CCNC=O)ccncC)nc6)))))))CC6
|
[C][S][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][Ring1][Ring1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][C][Ring1][#C]
|
[C@@H]18CC12CCN4CC2.c17cnc(C)nc1.[C@H]6(C)C3=O.C47=O.CS6.N35.C58
|
CC(C)(C)OC(=O)NC[C@@H](CO)CNC(=O)c1cc2cccc(C(F)(F)F)c2[nH]1
|
CCC)C)OC=O)NC[C@@H]CO))CNC=O)cccccccCF)F)F))c6[nH]9
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C@@H1][Branch1][Ring1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][NH1][Ring1][=N]
|
c19cc2cccc%10c2[nH]1.C7[C@H](C8)CO.CC6(C)C.C%10(F)(F)F.C34=O.C59=O.O36.N47.N58
|
O=C(NC[C@@H]1C[C@H]1NC(=O)C1(c2ccccc2F)CCC1)c1cc2occc2s1
|
O=CNC[C@@H]C[C@H]3NC=O)Ccccccc6F)))))))CCC4)))))))))))cccoccc5s8
|
[O][=C][Branch2][Ring1][=C][N][C][C@@H1][C][C@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][Ring1][O][C][=C][C][O][C][=C][C][=Ring1][Branch1][S][Ring1][Branch2]
|
c17cc2occc2s1.c1%10ccccc1F.C18%10CCC1.[C@@H]19C[C@H]16.O=C37.C48=O.N35.C59.N46
|
C[C@]1(CNC(=O)c2csc3ccncc23)CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1
|
C[C@]CNC=O)ccscccncc96))))))))))))CCNC=O)cn[nH]cc5[N+]=O)[O-]))))))))C5
|
[C][C@][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][S][C][=C][C][=N][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][N+1][=Branch1][C][=O][O-1][C][Ring2][Ring1][N]
|
c18csc2ccncc12.c17n[nH]cc1[N+](=O)[O-].C[C@]19CCN5C1.C48=O.C57=O.C69.N46
|
CC(C)(C(=O)NC[C@@H]1CC2(CC2)CO1)C1=CCN(C(=O)Cn2ncccc2=O)C1
|
CCC)C=O)NC[C@@H]CCCC3))CO5))))))))C=CCNC=O)Cnncccc6=O)))))))))C5
|
[C][C][Branch1][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C@@H1][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][O][Ring1][#Branch1][C][=C][C][N][Branch1][#C][C][=Branch1][C][=O][C][N][N][=C][C][=C][C][Ring1][=Branch1][=O][C][Ring1][#C]
|
CC(C)(C3=O)C1=CCN4C1.[C@@H]17CC2(CC2)CO1.n16ncccc1=O.C4(=O)C6.N35.C57
|
C#CC[C@@H]1CCCN1C(=S)NCCCOCC
|
C#CC[C@@H]CCCN5C=S)NCCCOCC
|
[C][#C][C][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=S][N][C][C][C][O][C][C]
|
[C@@H]15CCCN1C(=S)N4.C4CC2.C#CC5.O23.C3C
|
CCOC(=O)N(C)CCCC(=O)N1CC2(CO[C@H](CNC(=O)[C@@H](C)C3CC3)C2)C1
|
CCOC=O)NC)CCCC=O)NCCCO[C@H]CNC=O)[C@@H]C)CCC3)))))))C5))))C4
|
[C][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Branch2][C][O][C@H1][Branch1][S][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][C][C][Ring1][Ring1][C][Ring1][=C][C][Ring1][P]
|
N16CC2(CO[C@H]%11C2)C1.C9CCC6=O.C7(=O)[C@H]%12C.C45=O.N59C.C1%12CC1.CC8.O48.C%10%11.N7%10
|
C=CCCC1(C(=O)N(C)CC2(NC(=O)c3cncc(Cl)c3C)CC2)CC1
|
C=CCCCC=O)NC)CCNC=O)ccnccCl)c6C)))))))))CC3))))))CC3
|
[C][=C][C][C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][Ring1][=C][C][C][Ring2][Ring1][=Branch1]
|
c19cncc(Cl)c1C.C=CCC%10.C18%10CC1.C17%11CC1.C48=O.N46C.C59=O.C6%11.N57
|
C#CC[C@@H](C(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(C#C)c(Cl)c1F)C1CC1
|
C#CC[C@@H]C=O)NCCOC[C@@H]6CNC=O)ccccC#C))cCl)c6F)))))))))))))))))CCC3
|
[C][#C][C][C@@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#C][C][Branch1][C][Cl][=C][Ring1][=Branch2][F][C][C][C][Ring1][Ring1]
|
c15ccc(C#C)c(Cl)c1F.C#CC[C@H]7C2=O.N12CCOC[C@@H]16.C35=O.C17CC1.C46.N34
|
CC(C)(C)c1ccc2nc(C(=O)OCc3nc(Br)co3)ccc2c1
|
CCC)C)ccccncC=O)OCcncBr)co5))))))))ccc6c%10
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][N][=C][Branch1][P][C][=Branch1][C][=O][O][C][C][=N][C][Branch1][C][Br][=C][O][Ring1][=Branch1][C][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2]
|
c18ccc2nc6ccc2c1.c17nc(Br)co1.CC8(C)C.C46=O.O45.C57
|
Cc1cc(C(=O)N2CC[C@@](C)(CNC(=O)c3[nH]nc4c3COC4(C)C)C2)ccn1
|
CcccC=O)NCC[C@@]C)CNC=O)c[nH]ncc5COC5C)C))))))))))))C5))))))ccn6
|
[C][C][=C][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][C@@][Branch1][C][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][NH1][N][=C][C][=Ring1][Branch1][C][O][C][Ring1][Branch1][Branch1][C][C][C][C][Ring2][Ring1][Ring2][=C][C][=N][Ring2][Ring1][N]
|
c18[nH]nc2c1COC2(C)C.Cc1cc9ccn1.N15CC[C@]%10(C)C1.C59=O.C68=O.C7%10.N67
|
CCCNc1ccc(CNC(=O)c2ccc(-n3ncc4ccccc43)cc2)cc1
|
CCCNccccCNC=O)cccc-nnccccccc69)))))))))cc6)))))))))cc6
|
[C][C][C][N][C][=C][C][=C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring1][#C][C][=C][Ring2][Ring1][=Branch2]
|
n1%11ncc2ccccc21.c18ccc%10cc1.c19ccc%11cc1.CCC6.C59=O.N68.C7%10.N57
|
COc1ccnc([C@H](C(=O)NC[C@@H]2CCCO2)N2CCc3c(CO)n[nH]c3C2)n1
|
COcccnc[C@H]C=O)NC[C@@H]CCCO5))))))))NCCccCO))n[nH]c5C9))))))))))n6
|
[C][O][C][=C][C][=N][C][Branch2][Ring2][C][C@H1][Branch1][=C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][O][Ring1][Branch1][N][C][C][C][C][Branch1][Ring1][C][O][=N][NH1][C][=Ring1][#Branch1][C][Ring1][O][=N][Ring2][Ring1][O]
|
N16CCc2c%10n[nH]c2C1.c15ccnc9n1.[C@@H]69C4=O.[C@@H]18CCCO1.CO5.N47.C78.C%10O
|
N=c1[nH]cc(C(=O)NC[C@H]2CCCN(C(=O)c3c(Cl)cc(Cl)cc3Cl)C2)s1
|
N=c[nH]ccC=O)NC[C@H]CCCNC=O)ccCl)ccCl)cc6Cl))))))))C6)))))))))s5
|
[N][=C][NH1][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][C][Ring1][P][S][Ring2][Ring1][#Branch2]
|
c18c(Cl)cc(Cl)cc1Cl.[C@H]19CCCN5C1.N=c1[nH]cc7s1.C47=O.C58=O.N46.C69
|
CON=CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1C(=O)c3cccnc3C1=O)C2
|
CON=CC=O)N[C@@H]CC[C@H]5[C@H]NC=O)CNC=O)ccccnc6C9=O)))))))))))))C6
|
[C][O][N][=C][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Ring1][Branch1][C@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Ring2][Ring1][Branch1]
|
N17C(=O)c2cccnc2C1=O.N14[C@@H]2CC[C@H]1[C@H]6C2.CON=CC4=O.C5(=O)C7.N56
|
CCc1c(C(=O)NCc2ccc(C)cc2Cl)cnn1-c1ccc(C)cc1
|
CCccC=O)NCccccC)cc6Cl))))))))))cnn5-ccccC)cc6
|
[C][C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Cl][C][=N][N][Ring1][P][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
|
c17ccc(C)cc1Cl.c16c5cnn18.c18ccc(C)cc1.C35=O.CC6.N34.C47
|
CCC1=NO[C@@H](CC(=O)NC2(CNC(=O)CC[C@H](CC)OC)CCCC2)C1
|
CCC=NO[C@@H]CC=O)NCCNC=O)CC[C@H]CC))OC))))))))CCCC5))))))))C5
|
[C][C][C][=N][O][C@@H1][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][Branch1][S][C][N][C][=Branch1][C][=O][C][C][C@H1][Branch1][Ring1][C][C][O][C][C][C][C][C][Ring1][S][C][Ring2][Ring1][=Branch2]
|
C4(=O)CC[C@@H]5CC.CCC1=NO[C@@H]8C1.C169CCCC1.C8C3=O.N36.C79.N47.O5C
|
CC[C@H](NC(=O)[C@@H]1C[C@H]2C[C@@H]2N1Cc1ccc2nc(C)oc2c1)C(=O)OC
|
CC[C@H]NC=O)[C@@H]C[C@H]C[C@@H]3N6CccccncC)oc5c9))))))))))))))))))C=O)OC
|
[C][C][C@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C@@H1][C][C@H1][C][C@@H1][Ring1][Ring1][N][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Branch1][C][C][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][C]
|
c18ccc2nc(C)oc2c1.[C@@H]17C[C@H]2C[C@@H]2N16.CC[C@H]5C3=O.C47=O.N45.C68.O3C
|
C[C@H](N=c1[nH]c(=NCC[C@@H](C)O)c2cccc(F)c2[nH]1)c1csnn1
|
C[C@H]N=c[nH]c=NCC[C@@H]C)O)))))cccccF)c6[nH]%10)))))))))))ccsnn5
|
[C][C@H1][Branch2][Ring1][=N][N][=C][NH1][C][=Branch1][=Branch2][=N][C][C][C@@H1][Branch1][C][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][NH1][Ring1][P][C][=C][S][N][=N][Ring1][Branch1]
|
C[C@@H]3N=c1[nH]c(=NCC[C@@H](C)O)c2cccc(F)c2[nH]1.c13csnn1
|
Cc1nc(O)cc(C(=O)N(C)[C@@H]2CC[C@H]3CN(C(=O)Cc4cnn(C)c4)C[C@@H]32)n1
|
CcncO)ccC=O)NC)[C@@H]CC[C@H]CNC=O)CccnnC)c5)))))))C[C@@H]58))))))))))n6
|
[C][C][=N][C][Branch1][C][O][=C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][C][C@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C@@H1][Ring1][=C][Ring1][P][=N][Ring2][Ring1][N]
|
[C@@H]17CC[C@H]2CN6C[C@@H]21.Cc1nc8cc(O)n1.c19cnn(C)c1.C6(=O)C9.C58=O.N57C
|
C[C@H](NC(=O)c1ccnc2ccc(Cl)cc12)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1F
|
C[C@H]NC=O)cccnccccCl)cc%106))))))))))))[C@@H]CCCN5C=O)[C@@H]C[C@H]3F
|
[C][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][O][Ring1][#Branch1][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][F]
|
c17ccnc2ccc(Cl)cc12.[C@@H]18CCCN14.[C@@H]16C[C@H]1F.C[C@H]58.C37=O.C46=O.N35
|
Cc1cc2occ(C(=O)N3C[C@H](O)[C@H](NC(=O)C4(C(C)C)CCC4)C3)c2cc1C
|
CcccoccC=O)NC[C@H]O)[C@H]NC=O)CCC)C))CCC4))))))C5))))))c5cc9C
|
[C][C][=C][C][O][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C][Ring1][S][C][=Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][O][C]
|
Cc1cc2occ9c2cc1C.N15C[C@@H]7[C@@H](O)C1.C18%10CCC1.C59=O.C68=O.C%10(C)C.N67
|
C[C@@H](c1nc(-c2cccs2)no1)N1CCN(C[C@@H](CN)CC2CCCC2)CC1
|
C[C@@H]cnc-ccccs5)))))no5)))))NCCNC[C@@H]CN))CCCCCC5))))))))CC6
|
[C][C@@H1][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][N][C][C][N][Branch1][#C][C][C@@H1][Branch1][Ring1][C][N][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][S]
|
N13CCN4CC1.c15nc7no1.C4[C@H](C6)CN.c17cccs1.C16CCCC1.C[C@H]35
|
CC[C@H](c1cn(CC(C)(C)CNC(=O)c2scc(C)c2C)nn1)N(C)C
|
CC[C@H]ccnCCC)C)CNC=O)csccC)c5C)))))))))))nn5)))))NC)C
|
[C][C][C@H1][Branch2][Ring2][Branch1][C][=C][N][Branch2][Ring1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][S][C][=C][Branch1][C][C][C][=Ring1][=Branch1][C][N][=N][Ring2][Ring1][Ring2][N][Branch1][C][C][C]
|
c16scc(C)c1C.c18cn7nn1.C7C(C)(C)C5.CC[C@@H]48.C36=O.N4(C)C.N35
|
Cn1cc(C(=O)N2CC[C@@H](CNC(=O)C3COC3)C2(C)C)c2ccccc21
|
CnccC=O)NCC[C@@H]CNC=O)CCOC4)))))))C5C)C)))))))cccccc69
|
[C][N][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][=N][C][N][C][=Branch1][C][=O][C][C][O][C][Ring1][Ring2][C][Ring1][=N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch2]
|
Cn1cc8c2ccccc21.N14CC[C@@H]9C1(C)C.C17COC1.C48=O.C57=O.C69.N56
|
C[C@@H]1CN(C(=O)CC2(C#N)CC2)CC[C@H]1NC(=O)[C@H]1CCc2nccn2C1
|
C[C@@H]CNC=O)CCC#N))CC3)))))CC[C@H]6NC=O)[C@H]CCcnccn5C9
|
[C][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][C][C][C@H1][Ring1][=C][N][C][=Branch1][C][=O][C@H1][C][C][C][=N][C][=C][N][Ring1][Branch1][C][Ring1][=Branch2]
|
[C@H]16CCc2nccn2C1.C[C@@H]1CN3CC[C@H]15.C17(C#N)CC1.C3(=O)C7.C46=O.N45
|
COCCN(C(=O)CN1CCC(CCF)CC1)C(=O)C1CC2(C1)CC(F)(F)C2
|
COCCNC=O)CNCCCCCF)))CC6))))))))C=O)CCCC4)CCF)F)C4
|
[C][O][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][N][C][C][C][Branch1][Ring2][C][C][F][C][C][Ring1][=Branch2][C][=Branch1][C][=O][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1]
|
C18CC2(C1)CC(F)(F)C2.N17CCC9CC1.C3(=O)C7.C5C6.N346.C9CF.C48=O.CO5
|
CCn1ncnc1CN1CCCC[C@H](NC(=O)[C@H]2C[C@@H]2C2CCCC2)C1
|
CCnncnc5CNCCCC[C@H]NC=O)[C@H]C[C@@H]3CCCCC5))))))))))C7
|
[C][C][N][N][=C][N][=C][Ring1][Branch1][C][N][C][C][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@H1][C][C@@H1][Ring1][Ring1][C][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][C]
|
N14CCCC[C@H]5C1.[C@H]16C[C@@H]1C1CCCC1.n17ncnc18.C36=O.CC7.C48.N35
|
Cc1nocc1CNC(=O)C1(CNC(=O)[C@H](O)C2CCOCC2)CC=CC1
|
Ccnocc5CNC=O)CCNC=O)[C@H]O)CCCOCC6))))))))))CC=CC5
|
[C][C][=N][O][C][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][C][C][O][C][C][Ring1][=Branch1][C][C][=C][C][Ring1][P]
|
Cc1nocc1%10.C178CC=CC1.C19CCOCC1.C4(=O)[C@@H]9O.C37=O.C5%10.N35.C68.N46
|
C=CCC[C@@H](O)CNC(=O)[C@H]1CCN(C(=O)c2ncn3ccccc23)C(C)(C)C1
|
C=CCC[C@@H]O)CNC=O)[C@H]CCNC=O)cncnccccc96))))))))))CC)C)C6
|
[C][=C][C][C][C@@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][N][=C][N][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1]
|
[C@H]18CCN5C(C)(C)C1.c17ncn2ccccc12.C=CCC[C@@H](O)C6.C48=O.C57=O.N46
|
COc1nc(Cl)c(C(=O)N2CC[C@H](N(CCO)C(=O)[C@@H]3CCC[C@H](CF)C3)C2)s1
|
COcncCl)cC=O)NCC[C@H]NCCO)))C=O)[C@@H]CCC[C@H]CF))C6))))))))C5))))))s5
|
[C][O][C][=N][C][Branch1][C][Cl][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][#Branch1][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C@@H1][C][C][C][C@H1][Branch1][Ring1][C][F][C][Ring1][Branch2][C][Ring2][Ring1][Ring1][S][Ring2][Ring1][O]
|
c16nc(Cl)c9s1.[C@@H]1%10CCC[C@H]%11C1.N14CC[C@H]8C1.C49=O.N578.C7CO.C5%10=O.CO6.C%11F
|
CC(C)(C)c1cccc(C(=O)N2CC(OCCNC(=O)c3ccc[nH]3)C2)c1
|
CCC)C)cccccC=O)NCCOCCNC=O)cccc[nH]5))))))))))C4)))))c6
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][Branch1][S][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][Ring1][#C][=C][Ring2][Ring1][#Branch1]
|
c1%11cccc%10c1.N14CC7C1.c19ccc[nH]1.CC%11(C)C.C4%10=O.C6C8.C59=O.O67.N58
|
CO[C@@H](C(=O)N1CC2(NC(=O)c3cnc(Cl)s3)CC1C2)c1cccc(Cl)c1
|
CO[C@@H]C=O)NCCNC=O)ccncCl)s5)))))))CC5C4)))))))cccccCl)c6
|
[C][O][C@@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][C][Ring1][=C][C][Ring1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
|
N14CC27CC1C2.c19cccc(Cl)c1.c18cnc(Cl)s1.[C@@H]69C4=O.C58=O.CO6.N57
|
CC(C)c1cc(C(=O)NC[C@H]2CCC(C)(C)CN2C(=O)C(F)=C2CCC2)no1
|
CCC)cccC=O)NC[C@H]CCCC)C)CN6C=O)CF)=CCCC4)))))))))))))))no5
|
[C][C][Branch1][C][C][C][=C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C@H1][C][C][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][C][F][=C][C][C][C][Ring1][Ring2][=N][O][Ring2][Ring1][=Branch2]
|
[C@H]18CCC(C)(C)CN14.c19cc6no1.C4(=O)C=7F.C1=7CCC1.CC9C.C36=O.N35.C58
|
CCc1nnsc1C(=O)N1CC[C@H](O)[C@@H]1C(=O)NCCCn1cccn1
|
CCcnnsc5C=O)NCC[C@H]O)[C@@H]5C=O)NCCCncccn5
|
[C][C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][O][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=N][Ring1][Branch1]
|
N12CC[C@H](O)[C@@H]15.c18nnsc16.n17cccn1.C4CC7.C26=O.C35=O.CC8.N34
|
C[C@H](O)CC(=O)N1CCN(C(=O)c2cc(F)cc3cccnc23)[C@@H](CF)C1
|
C[C@H]O)CC=O)NCCNC=O)cccF)cccccnc%106)))))))))))[C@@H]CF))C6
|
[C][C@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1][C@@H1][Branch1][Ring1][C][F][C][Ring2][Ring1][Branch1]
|
c16cc(F)cc2cccnc12.N14CCN5[C@@H]7C1.C[C@H](O)CC4=O.C56=O.C7F
|
C[C@@H]1C[C@@H](C)CN(C(=O)CN2C[C@@H]3[C@@H](CNC(=O)Cc4ccccc4Cl)[C@@H]3C2)C1
|
C[C@@H]C[C@@H]C)CNC=O)CNC[C@@H][C@@H]CNC=O)Ccccccc6Cl)))))))))))[C@@H]3C6))))))))C6
|
[C][C@@H1][C][C@@H1][Branch1][C][C][C][N][Branch2][Ring2][Ring1][C][=Branch1][C][=O][C][N][C][C@@H1][C@@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C@@H1][Ring1][#C][C][Ring2][Ring1][C][C][Ring2][Ring1][N]
|
C[C@@H]1C[C@@H](C)CN5C1.N17C[C@@H]2[C@@H]9[C@@H]2C1.c1%10ccccc1Cl.C5(=O)C7.C6(=O)C%10.C89.N68
|
Cc1cnn(CCCN=c2[nH]c(=N[C@H]3CCO[C@H]3C)c3c(F)cccc3[nH]2)c1
|
CccnnCCCN=c[nH]c=N[C@H]CCO[C@H]5C)))))))ccF)cccc6[nH]%10))))))))))))))c5
|
[C][C][C][=N][N][Branch2][Ring2][C][C][C][C][N][=C][NH1][C][=Branch1][#Branch2][=N][C@H1][C][C][O][C@H1][Ring1][Branch1][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][NH1][Ring2][Ring1][C][C][=Ring2][Ring1][O]
|
C4CCN=c1[nH]c(=N[C@H]2CCO[C@H]2C)c2c(F)cccc2[nH]1.Cc1cnn4c1
|
C[C@H]1C[C@@H]1C(=O)N[C@H]1CN(C(=O)CN2CCCNS2(=O)=O)Cc2nccn2C1
|
C[C@H]C[C@@H]3C=O)N[C@H]CNC=O)CNCCCNS6=O)=O)))))))))Ccnccn5C%10
|
[C][C@H1][C][C@@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][N][C][C][C][N][S][Ring1][=Branch1][=Branch1][C][=O][=O][C][C][=N][C][=C][N][Ring1][Branch1][C][Ring2][Ring1][Branch1]
|
[C@H]16CN4Cc2nccn2C1.N15CCCNS1(=O)=O.C[C@H]1C[C@@H]17.C4(=O)C5.C37=O.N36
|
CO[C@H](CC(C)C)C(=O)N1C[C@H](NC(=O)Cc2cc(O)nc(O)n2)C(C)(C)C1
|
CO[C@H]CCC)C)))C=O)NC[C@H]NC=O)CcccO)ncO)n6)))))))))CC)C)C5
|
[C][O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][O][=N][C][Branch1][C][O][=N][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1]
|
[C@@H]5(CC(C)C)C3=O.N13C[C@H]6C(C)(C)C1.c17cc(O)nc(O)n1.C4(=O)C7.CO5.N46
|
C[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)c3cc4c[nH]nc4s3)[C@@H]2C1)c1ccco1
|
C[C@@H]C=O)NC[C@@H]CCNC=O)cccc[nH]nc5s8)))))))))[C@@H]5C8)))))))))cccco5
|
[C][C@@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][NH1][N][=C][Ring1][Branch1][S][Ring1][Branch2][C@@H1][Ring1][#C][C][Ring2][Ring1][C][C][=C][C][=C][O][Ring1][Branch1]
|
N15C[C@@H]2CCN6[C@@H]2C1.c17cc2c[nH]nc2s1.C[C@H]8C5=O.c18ccco1.C67=O
|
COC(=O)CCCC(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)c2ncc(C(F)F)s2)C1
|
COC=O)CCCC=O)NCC[C@@H][C@H]CCCN6C=O)cnccCF)F))s5))))))))))C6
|
[C][O][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][C@H1][Branch2][Ring1][=Branch2][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][S][Ring1][Branch2][C][Ring2][Ring1][Ring2]
|
N14CC[C@@H]2[C@H](CCCN25)C1.C3(=O)CCCC4=O.c16ncc7s1.C56=O.C7(F)F.CO3
|
Cc1cc(C)n(CC(=O)N(C)[C@](C)(C(=O)NC2CC3(CCC3)C2)C2CC2)n1
|
CcccC)nCC=O)NC)[C@]C)C=O)NCCCCCC4)))C4))))))CCC3)))))))n5
|
[C][C][C][=C][Branch1][C][C][N][Branch2][Ring2][Branch2][C][C][=Branch1][C][=O][N][Branch1][C][C][C@][Branch1][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][#Branch1][C][C][C][Ring1][Ring1][N][=Ring2][Ring1][#Branch2]
|
Cc1cc(C)n8n1.C17CC2(CCC2)C1.[C@]69(C)C5=O.C8C4=O.N46C.C19CC1.N57
|
C[C@@H](C(=O)NCC1(CO)CCN(C(=O)CCCC(F)F)CC1)c1ccc(Cl)cc1
|
C[C@@H]C=O)NCCCO))CCNC=O)CCCCF)F))))))CC6)))))))))ccccCl)cc6
|
[C][C@@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][F][C][C][Ring1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
C156CCN3CC1.C3(=O)CCCC(F)F.c17ccc(Cl)cc1.C[C@H]7C2=O.N24.C45.C6O
|
O=C(CC(=O)NC[C@@H]1C[C@@H]1NC(=O)C(F)(F)C1CC1)NCC1CC1
|
O=CCC=O)NC[C@@H]C[C@@H]3NC=O)CF)F)CCC3)))))))))))))NCCCC3
|
[O][=C][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C@@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][C][C][Ring1][Ring1][N][C][C][C][C][Ring1][Ring1]
|
O=C2CC3=O.C4(=O)C9(F)F.[C@@H]18C[C@@H]17.C19CC1.C1%10CC1.N35.C58.N47.N26.C6%10
|
CCc1ccc(C(=O)NCC(C)(C)NC(=O)C2CCC(NC(C)=O)CC2)cc1F
|
CCccccC=O)NCCC)C)NC=O)CCCCNCC)=O)))CC6))))))))))))cc6F
|
[C][C][C][=C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch2][F]
|
c1%11ccc%10cc1F.C19CCC8CC1.C6C7(C)C.C3%10=O.C49=O.C5(C)=O.CC%11.N36.N47.N58
|
O=C(NCC[C@H]1CCCN1C(=O)C=Cc1ccsc1)[C@H]1CCCn2nccc21
|
O=CNCC[C@H]CCCN5C=O)C=Ccccsc5))))))))))))))))[C@H]CCCnnccc59
|
[O][=C][Branch2][Ring1][Branch2][N][C][C][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][C][=C][S][C][=Ring1][Branch1][C@H1][C][C][C][N][N][=C][C][=C][Ring1][Branch1][Ring1][=Branch2]
|
O=C3[C@H]1CCCn2nccc21.[C@H]17CCCN14.C=6c1ccsc1.C4(=O)C=6.C5C7.N35
|
Cc1cccc(NC(=O)C(=O)N(C)C[C@H](C)N(C)C(=O)C2CC(F)C2)c1
|
CcccccNC=O)C=O)NC)C[C@H]C)NC)C=O)CCCF)C4))))))))))))c6
|
[C][C][=C][C][=C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][Branch1][C][F][C][Ring1][Branch1][=C][Ring2][Ring1][=Branch2]
|
Cc1cccc8c1.C3(=O)C4=O.C19CC(F)C1.C6[C@@H]7C.N46C.N57C.C59=O.N38
|
CCCCc1nc(C)c(C(=O)N[C@@H]2CCC3(CNC3)C2)s1
|
CCCCcncC)cC=O)N[C@@H]CCCCNC4)))C5)))))))s5
|
[C][C][C][C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@@H1][C][C][C][Branch1][=Branch1][C][N][C][Ring1][Ring2][C][Ring1][Branch2][S][Ring1][P]
|
[C@@H]15CCC2(CNC2)C1.c17nc(C)c6s1.CCCC7.C46=O.N45
|
C[C@@H]1CCc2onc(C(=O)N[C@@H](C)CCCNC(=O)CCc3cnn(C)c3)c2C1
|
C[C@@H]CCconcC=O)N[C@@H]C)CCCNC=O)CCccnnC)c5)))))))))))))))c5C9
|
[C][C@@H1][C][C][C][O][N][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Ring2][Ring1][Branch2][C][Ring2][Ring1][N]
|
C[C@@H]1CCc2onc8c2C1.[C@H]6(C)CCC7.c19cnn(C)c1.C5(=O)CC9.C48=O.N46.N57
|
Cc1nnccc1C(=O)N1CCO[C@@H](C(=O)NC[C@@]2(O)C[C@H]3CC[C@@H]2C3)CC1
|
Ccnnccc6C=O)NCCO[C@@H]C=O)NC[C@@]O)C[C@H]CC[C@@H]6C5))))))))))CC7
|
[C][C][=N][N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C@@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@][Branch1][C][O][C][C@H1][C][C][C@@H1][Ring1][#Branch1][C][Ring1][Branch1][C][C][Ring2][Ring1][Ring1]
|
N14CCO[C@@H]7CC1.[C@]19(O)C[C@H]2CC[C@@H]1C2.Cc1nnccc18.C48=O.C57=O.N56.C69
|
CCC(CC)C(=O)N(CC)[C@H]1CCN(C(=O)[C@@H](CC2CCCCC2)OC)C1
|
CCCCC))C=O)NCC))[C@H]CCNC=O)[C@@H]CCCCCCC6)))))))OC))))C5
|
[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][O][C][C][Ring1][P]
|
CCC(CC)C3=O.[C@H]17CCN4C1.C4(=O)[C@H]5C8.C18CCCCC1.N367.C6C.O5C
|
CC(C)[C@@H](NC(=O)CCC(N)=O)C1CCN(C(=O)CCCF)CC1
|
CCC)[C@@H]NC=O)CCCN)=O))))))CCCNC=O)CCCF)))))CC6
|
[C][C][Branch1][C][C][C@@H1][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][Branch1][C][N][=O][C][C][C][N][Branch1][=Branch2][C][=Branch1][C][=O][C][C][C][F][C][C][Ring1][N]
|
C2(=O)CCC(N)=O.C15CCN3CC1.C3(=O)CCCF.CC(C)[C@@H]45.N24
|
Cc1[nH]nc(C(F)(F)F)c1C(=O)Nc1ccc(F)c(C2CC2)c1
|
Cc[nH]ncCF)F)F))c5C=O)NccccF)cCCC3)))c6
|
[C][C][NH1][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][#Branch2]
|
c14ccc(F)c7c1.Cc1[nH]nc6c15.C6(F)(F)F.C35=O.C17CC1.N34
|
CC(C)(CCC(=O)NCCN1CCC(NC(=O)Cn2cnc(=N)[nH]2)CC1)[N+](=O)[O-]
|
CCC)CCC=O)NCCNCCCNC=O)Cncnc=N)[nH]5))))))))CC6))))))))))))[N+]=O)[O-]
|
[C][C][Branch1][C][C][Branch2][Ring2][Ring2][C][C][C][=Branch1][C][=O][N][C][C][N][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][N][C][=N][C][=Branch1][C][=N][NH1][Ring1][=Branch1][C][C][Ring1][S][N+1][=Branch1][C][=O][O-1]
|
CC(C)(CCC3=O)[N+](=O)[O-].N16CCC7CC1.n18cnc(=N)[nH]1.C4(=O)C8.C5C6.N35.N47
|
C[C@H](C(=O)NCCCC[C@@H](CO)NC(=O)c1[nH]nnc1C1CC1)c1ccc(Cl)s1
|
C[C@H]C=O)NCCCC[C@@H]CO))NC=O)c[nH]nnc5CCC3)))))))))))))))))ccccCl)s5
|
[C][C@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][NH1][N][=N][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1]
|
C4CCC[C@H]5CO.c16[nH]nnc18.c17ccc(Cl)s1.C[C@@H]7C2=O.C36=O.C18CC1.N24.N35
|
CCOCC1(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)Cn3nccc3N)C2)CC1
|
CCOCCC=O)N[C@H]CC[C@@H]C)NC=O)Cnnccc5N))))))))C6))))))))CC3
|
[C][C][O][C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][N][N][=C][C][=C][Ring1][Branch1][N][C][Ring1][S][C][C][Ring2][Ring1][=Branch1]
|
[C@H]18CC[C@@H](C)N5C1.n1%10nccc1N.C19%11CC1.C5(=O)C%10.C49=O.CC6.O67.C7%11.N48
|
C[C@H]1C[C@@H]1C(=O)N1C[C@H]2C[C@H]1CC[C@@H]2NC(=O)Cn1cc([C@@H]2CCOC2)cn1
|
C[C@H]C[C@@H]3C=O)NC[C@H]C[C@H]5CC[C@@H]6NC=O)Cncc[C@@H]CCOC5)))))cn5
|
[C][C@H1][C][C@@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C@H1][C][C@H1][Ring1][Branch1][C][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][Branch2][C@@H1][C][C][O][C][Ring1][Branch1][C][=N][Ring1][#Branch2]
|
N13C[C@H]2C[C@H]1CC[C@@H]25.n17cc8cn1.[C@@H]18CCOC1.C[C@H]1C[C@@H]16.C4(=O)C7.C36=O.N45
|
O=C(NC[C@@H]1CCCCN1C(=O)CC1CC(F)C1)c1cnc(O)c2ccccc12
|
O=CNC[C@@H]CCCCN6C=O)CCCCF)C4))))))))))))))ccncO)cccccc%106
|
[O][=C][Branch2][Ring1][=Branch2][N][C][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][C][Ring1][Branch1][C][=C][N][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1]
|
c16cnc(O)c2ccccc12.[C@@H]17CCCCN14.C18CC(F)C1.C4(=O)C8.O=C36.N35.C57
|
COc1ccc(CCC(=O)NC[C@@H](NC(=O)Cc2cc(Cl)cs2)C(C)C)cn1
|
COccccCCC=O)NC[C@@H]NC=O)CcccCl)cs5))))))))CC)C))))))))cn6
|
[C][O][C][=C][C][=C][Branch2][Ring1][P][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][Cl][=C][S][Ring1][=Branch1][C][Branch1][C][C][C][C][=N][Ring2][Ring1][#Branch2]
|
c15ccc9cn1.C6[C@@H]7C(C)C.c18cc(Cl)cs1.C9CC3=O.C4(=O)C8.CO5.N36.N47
|
NC(=O)c1ccc(CC(=O)NC[C@H]2CCN2C(=O)c2cc3ccncc3s2)cc1
|
NC=O)ccccCC=O)NC[C@H]CCN4C=O)cccccncc6s9))))))))))))))))))cc6
|
[N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch2]
|
c17cc2ccncc2s1.c18ccc%10cc1.[C@H]19CCN15.C%10C4=O.NC8=O.C57=O.N46.C69
|
Cc1nc(C(=O)N(C)CC[C@@H](C)NC(=O)CCCC(=O)NC(C)C)cn1C
|
CcncC=O)NC)CC[C@@H]C)NC=O)CCCC=O)NCC)C))))))))))))))cn5C
|
[C][C][=N][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][N][Ring2][Ring1][=Branch2][C]
|
C3(=O)CCCC4=O.Cc1nc8cn1C.C5C[C@H]6C.C28=O.N25C.C7(C)C.N36.N47
|
COc1cc(Br)ccc1CS(=O)(=O)NC(=O)/C=C/[C@H]1CCN1
|
COcccBr)ccc6CS=O)=O)NC=O)/C=C/[C@H]CCN4
|
[C][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][/C][=C][/C@H1][C][C][N][Ring1][Ring2]
|
c13cc(Br)ccc16.C6S4(=O)=O.C=5[C@H]1CCN1.C2(=O)C=5.CO3.N24
|
Cc1c(Br)cccc1-n1cc([C@@H]2[C@H](C)CCN2C(=O)[C@@H]2CCCOCC2)nn1
|
CccBr)cccc6-ncc[C@@H][C@H]C)CCN5C=O)[C@@H]CCCOCC7)))))))))))))nn5
|
[C][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][N][C][=C][Branch2][Ring1][Branch2][C@@H1][C@H1][Branch1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][O][C][C][Ring1][#Branch1][N][=N][Ring2][Ring1][Ring2]
|
Cc1c5cccc1Br.[C@@H]16[C@H](C)CCN13.[C@@H]14CCCOCC1.n15cc6nn1.C34=O
|
CCc1cc(C(=O)N2CCC[C@@](F)(C(=O)N3CCO[C@H]4[C@H](O)C[C@H]43)C2)ns1
|
CCcccC=O)NCCC[C@@]F)C=O)NCCO[C@H][C@H]O)C[C@H]48)))))))))C6)))))))ns5
|
[C][C][C][=C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C][C@@][Branch1][C][F][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][O][C@H1][C@H1][Branch1][C][O][C][C@H1][Ring1][Branch1][Ring1][=Branch2][C][Ring2][Ring1][C][=N][S][Ring2][Ring1][=Branch2]
|
N16CCO[C@H]2[C@H](O)C[C@H]21.N15CCC[C@]8(F)C1.c19cc7ns1.C57=O.C68=O.CC9
|
C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2C)CC[C@@H]1CNC(=O)c1ccc(F)c(F)c1F
|
C[C@@H]CNC=O)[C@@H]CNC=O)N5C)))))))CC[C@@H]6CNC=O)ccccF)cF)c6F
|
[C][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C][N][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C@@H1][Ring1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][F]
|
c17ccc(F)c(F)c1F.C[C@@H]1CN3CC[C@@H]18.[C@@H]16CNC(=O)N1C.C36=O.C47=O.C58.N45
|
C[C@@H](CCNC(=O)[C@@H]1CCC[C@@H](O)C1)NC(=O)C12CC3C[C@@](F)(C1)C[C@](F)(C3)C2
|
C[C@@H]CCNC=O)[C@@H]CCC[C@@H]O)C6))))))))))NC=O)CCCC[C@@]F)C6)C[C@]F)C6)C8
|
[C][C@@H1][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][C@@H1][Branch1][C][O][C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][C@@][Branch1][C][F][Branch1][Ring2][C][Ring1][#Branch1][C][C@][Branch1][C][F][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][N]
|
C129CC3C[C@@](F)(C1)C[C@](F)(C3)C2.[C@@H]18CCC[C@@H](O)C1.C[C@H]6CC7.C48=O.C59=O.N47.N56
|
COC[C@H](O)C(=O)N1CCC[C@@]2(CCCN2C(=O)c2sc(C(C)C)nc2C)C1
|
COC[C@H]O)C=O)NCCC[C@@]CCCN5C=O)cscCC)C))nc5C)))))))))))C6
|
[C][O][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][C@@][Branch2][Ring1][#Branch2][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][S][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][=Ring1][Branch2][C][C][Ring2][Ring1][Branch1]
|
N13CCC[C@@]2(CCCN24)C1.c16sc7nc1C.C5[C@H](O)C3=O.C46=O.C7(C)C.CO5
|
C#CCCOCC(=O)NC[C@@H]1C=CCN1C(=O)c1cc2c(cc1N)CCCC2
|
C#CCCOCC=O)NC[C@@H]C=CCN5C=O)cccccc6N)))CCCC6
|
[C][#C][C][C][O][C][C][=Branch1][C][=O][N][C][C@@H1][C][=C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][=Branch2]
|
c18cc2c(cc1N)CCCC2.[C@@H]19C=CCN14.C#CCC5.C6C3=O.C48=O.O56.N37.C79
|
Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](C)CNC(=O)[C@@H]1CCC2(CCC2)CO1
|
Cc[nH]cC#N))cc5C=O)NC[C@@H]C)CNC=O)[C@@H]CCCCCC4)))CO6
|
[C][C][NH1][C][Branch1][Ring1][C][#N][=C][C][=Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][O][Ring1][=Branch2]
|
[C@@H]17CCC2(CCC2)CO1.Cc1[nH]c(C#N)cc18.C5[C@@H](C)C6.C38=O.C47=O.N35.N46
|
COc1ccc(COCC(=O)NC[C@@H](C)NC(=O)c2c(C)cncc2C)cc1
|
COccccCOCC=O)NC[C@@H]C)NC=O)ccC)cncc6C))))))))))))))))cc6
|
[C][O][C][=C][C][=C][Branch2][Ring1][#C][C][O][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=N][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][#Branch2]
|
c1%10c(C)cncc1C.c17ccc%11cc1.C6C3=O.C8[C@H]9C.C4%10=O.CO7.C5%11.O56.N38.N49
|
Cc1ccc([C@@H](NC(=O)[C@@]23C[C@H]2CN(C(=O)c2cn(C)cn2)C3)C(C)C)cc1
|
Ccccc[C@@H]NC=O)[C@@]C[C@H]3CNC=O)ccnC)cn5))))))C6))))))))CC)C)))cc6
|
[C][C][=C][C][=C][Branch2][Ring2][=Branch2][C@@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@@][C][C@H1][Ring1][Ring1][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][C][Ring1][=C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][O]
|
Cc1ccc9cc1.[C@@]128C[C@H]1CN5C2.c17cn(C)cn1.[C@@H]69C(C)C.C48=O.C57=O.N46
|
O=C(NC[C@@H](O)CCNC(=O)C1CCSCC1)c1cccc(-n2ccnn2)c1
|
O=CNC[C@@H]O)CCNC=O)CCCSCC6)))))))))))))ccccc-nccnn5)))))c6
|
[O][=C][Branch2][Ring1][=Branch1][N][C][C@@H1][Branch1][C][O][C][C][N][C][=Branch1][C][=O][C][C][C][S][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][=C][Ring1][O]
|
c18cccc9c1.C5[C@@H](O)CC6.C17CCSCC1.n19ccnn1.O=C38.C47=O.N35.N46
|
C[S@@+]([O-])CCC(=O)N1C[C@H](CO)C2(C1)CN(C(=O)C1=CSCS1)C2
|
C[S@@+][O-])CCC=O)NC[C@H]CO))CC5)CNC=O)C=CSCS5))))))C4
|
[C][S@@+1][Branch1][C][O-1][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][Ring1][C][O][C][Branch1][Ring2][C][Ring1][#Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][C][S][Ring1][Branch1][C][Ring1][N]
|
N13C[C@H]5C2(C1)CN4C2.C[S@@+]([O-])CCC3=O.C4(=O)C1=CSCS1.C5O
|
CCC[C@H](C)C(=O)N[C@@H](C)[C@@H](CO)NC(=O)c1nc(C)ccc1OC
|
CCC[C@H]C)C=O)N[C@@H]C)[C@@H]CO))NC=O)cncC)ccc6OC
|
[C][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C]
|
c17nc(C)ccc14.CCC[C@H](C)C2=O.[C@H]5(C)[C@H]6CO.C37=O.N25.N36.O4C
|
COCc1cc(C(=O)N(C)C[C@H]2CCN(C(=O)[C@H]3CCC34CCC4)C2)n(C)c1
|
COCcccC=O)NC)C[C@H]CCNC=O)[C@H]CCC4CCC4))))))))C5))))))))nC)c5
|
[C][O][C][C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C@H1][C][C][C][Ring1][Ring2][C][C][C][Ring1][Ring2][C][Ring1][=C][N][Branch1][C][C][C][=Ring2][Ring1][=Branch2]
|
c1%12cc9n(C)c1.[C@H]1%10CCC12CCC2.[C@H]1%11CCN6C1.C59=O.N58C.C6%10=O.CO7.C7%12.C8%11
|
CC(=O)c1ccccc1C(=O)N1CCC[C@@](O)(CNC(=O)[C@H]2C=CCC2)C1
|
CC=O)cccccc6C=O)NCCC[C@@]O)CNC=O)[C@H]C=CCC5))))))))C6
|
[C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@@][Branch1][C][O][Branch1][=C][C][N][C][=Branch1][C][=O][C@H1][C][=C][C][C][Ring1][Branch1][C][Ring1][S]
|
N13CCC[C@]9(O)C1.c17ccccc18.[C@H]16C=CCC1.CC7=O.C38=O.C46=O.C59.N45
|
COc1c(NC(=O)[C@H]2CCCc3scnc32)c(C)nn1C
|
COccNC=O)[C@H]CCCcscnc59)))))))))))cC)nn5C
|
[C][O][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@H1][C][C][C][C][S][C][=N][C][=Ring1][Branch1][Ring1][=Branch2][C][Branch1][C][C][=N][N][Ring2][Ring1][C][C]
|
C4(=O)[C@H]1CCCc2scnc21.c15c6c(C)nn1C.CO5.N46
|
O=C(NCCCOc1ccccc1)[C@@H]1CC[C@@H](NCc2occc2Br)CO1
|
O=CNCCCOcccccc6)))))))))))[C@@H]CC[C@@H]NCcoccc5Br))))))))CO6
|
[O][=C][Branch1][=C][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][C][C@@H1][Branch1][O][N][C][C][O][C][=C][C][=Ring1][Branch1][Br][C][O][Ring1][=C]
|
[C@@H]19CC[C@@H]8CO1.c15ccccc1.c1%10occc1Br.C6CC4.O=C39.N36.O45.N78.C7%10
|
C#CC[C@H](CC(=O)Nn1ccccc1=O)NC(=O)[C@@H](C)n1cccn1
|
C#CC[C@H]CC=O)Nnccccc6=O))))))))))NC=O)[C@@H]C)ncccn5
|
[C][#C][C][C@H1][Branch1][S][C][C][=Branch1][C][=O][N][N][C][=C][C][=C][C][Ring1][=Branch1][=O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][=C][C][=N][Ring1][Branch1]
|
C#CC[C@@H]3CC(=O)Nn1ccccc1=O.C2(=O)[C@H]4C.n14cccn1.N23
|
O=C(CSC(F)F)N[C@@H]1CN(C(=O)C2(c3c(F)cccc3F)CC2)C[C@@H]1F
|
O=CCSCF)F))))N[C@@H]CNC=O)CccF)cccc6F)))))))CC3))))C[C@@H]5F
|
[O][=C][Branch1][Branch2][C][S][C][Branch1][C][F][F][N][C@@H1][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][C][Ring1][O][C][C@@H1][Ring2][Ring1][C][F]
|
c19c(F)cccc1F.[C@@H]17CN5C[C@@H]1F.O=C4C6.S6C(F)F.C189CC1.C58=O.N47
|
CC(C)(C)NC(=O)[C@H](c1cccc(Cl)n1)N(CCC(N)=O)C(C)(C)C
|
CCC)C)NC=O)[C@H]cccccCl)n6))))))NCCCN)=O))))CC)C)C
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][N][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][Branch1][C][C][Branch1][C][C][C]
|
c17cccc(Cl)n1.C2(=O)[C@@H]47.C5CC(N)=O.CC3(C)C.C6(C)(C)C.N456.N23
|
C[C@@H](O)[C@H](NC(=O)[C@H]1C[C@@](C)(O)C1)C(=O)Nc1c[nH]ccc1=O
|
C[C@@H]O)[C@H]NC=O)[C@H]C[C@@]C)O)C4))))))C=O)Ncc[nH]ccc6=O
|
[C][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@H1][C][C@@][Branch1][C][C][Branch1][C][O][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][NH1][C][=C][C][Ring1][=Branch1][=O]
|
C[C@@H](O)[C@H]4C3=O.c15c[nH]ccc1=O.[C@H]16C[C@@](C)(O)C1.C26=O.N24.N35
|
Cc1c(C(=O)N[C@@H](C)[C@H]2CCN(C(=O)C34CCC(CO)(CC3)C4)C2)nn(C)c1N
|
CccC=O)N[C@@H]C)[C@H]CCNC=O)CCCCCO))CC6))C5))))))C5))))))))nnC)c5N
|
[C][C][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C@H1][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][C][Branch1][Ring1][C][O][Branch1][Branch1][C][C][Ring1][Branch2][C][Ring1][=Branch2][C][Ring1][S][=N][N][Branch1][C][C][C][=Ring2][Ring1][O][N]
|
Cc1c8nn(C)c1N.C129CCC%11(CC1)C2.[C@H]1%10CCN6C1.C58=O.[C@@H]7%10C.C69=O.N57.C%11O
|
NC(=O)c1cccc(C(=O)N2C[C@H](F)[C@H](NC(=O)CN3CCCC3=O)C2)c1
|
NC=O)cccccC=O)NC[C@H]F)[C@H]NC=O)CNCCCC5=O)))))))))C5))))))c6
|
[N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][F][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][N][C][C][C][C][Ring1][Branch1][=O][C][Ring1][S][=C][Ring2][Ring1][Branch2]
|
c17cccc8c1.N14C[C@@H]6[C@@H](F)C1.N19CCCC1=O.C5(=O)C9.NC7=O.C48=O.N56
|
CC[C@H]1CCCC[C@@H]1C(=O)N1CC2=C(CN(C(=O)c3nc(SC)ncc3N)C2)C1
|
CC[C@H]CCCC[C@@H]6C=O)NCC=CCNC=O)cncSC))ncc6N))))))))C5)))C5
|
[C][C][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][#Branch2][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=N][C][Branch1][Ring1][S][C][=N][C][=C][Ring1][Branch2][N][C][Ring1][S][C][Ring2][Ring1][Ring1]
|
N14CC2=C(C1)CN5C2.c16nc9ncc1N.[C@H]18CCCC[C@@H]17.C47=O.C56=O.CC8.S9C
|
CC[C@H](C)c1ccc(-n2c(SCc3nc(C)cs3)nc3ccccc3c2=O)cc1
|
CC[C@H]C)cccc-ncSCcncC)cs5)))))))ncccccc6c%10=O)))))))))))cc6
|
[C][C][C@H1][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#C][N][C][Branch1][=N][S][C][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O][C][=C][Ring2][Ring1][=Branch2]
|
n17c8nc2ccccc2c1=O.c16ccc7cc1.c15nc(C)cs1.CC[C@@H]6C.S48.C45
|
Cn1nccc1CCC(=O)N1CCC[C@@H]1CCCNC(=O)c1cccc(F)c1Cl
|
Cnnccc5CCC=O)NCCC[C@@H]5CCCNC=O)cccccF)c6Cl
|
[C][N][N][=C][C][=C][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][Cl]
|
c15cccc(F)c1Cl.Cn1nccc17.N12CCC[C@@H]16.C7CC2=O.C6CC4.C35=O.N34
|
NS(=O)(=O)c1ccc(CC(=O)N2CCNc3c(Br)cccc3C2)cc1
|
NS=O)=O)ccccCC=O)NCCNccBr)cccc6C%11)))))))))))))cc6
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][N][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][C][Ring1][N][C][=C][Ring2][Ring1][Branch1]
|
N14CCNc2c(Br)cccc2C1.NS(=O)(=O)c1ccc5cc1.C5C4=O
|
CCc1cnc(CNC(=O)C2(CCNC(=O)c3cc(C)no3)CCC2)[nH]1
|
CCccncCNC=O)CCCNC=O)cccC)no5)))))))))CCC4)))))))[nH]5
|
[C][C][C][=C][N][=C][Branch2][Ring1][P][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][C][C][Ring1][#C][NH1][Ring2][Ring1][Branch2]
|
c1%10cnc%11[nH]1.c18cc(C)no1.C19%12CCC1.C49=O.C%12C7.C58=O.CC%10.C6%11.N46.N57
|
CCOc1ccccc1NC(=O)c1cncc(NCc2ccc(O)c(C#N)c2)c1
|
CCOcccccc6NC=O)ccnccNCccccO)cC#N))c6))))))))c6
|
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch2][Ring1][C][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][=C][Ring1][P]
|
c1%10ccc(O)c(C#N)c1.c15ccccc17.c19cncc8c1.C39=O.CC4.O45.N37.N68.C6%10
|
C[C@@H](NC(=O)c1ccc2ccccc2c1)[C@@H](C)NC(=O)c1ncn2c1CCC2
|
C[C@@H]NC=O)ccccccccc6c%10))))))))))))[C@@H]C)NC=O)cncnc5CCC5
|
[C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][=C][N][C][=Ring1][Branch1][C][C][C][Ring1][Branch1]
|
c18ccc2ccccc2c1.c17ncn2c1CCC2.C[C@@H]5[C@H]6C.C38=O.C47=O.N35.N46
|
C[C@H](CCO)C(=O)N1C[C@H]2C[C@H]1CC[C@@H]2NC(=O)c1ccc2scnc2c1
|
C[C@H]CCO)))C=O)NC[C@H]C[C@H]5CC[C@@H]6NC=O)ccccscnc5c9
|
[C][C@H1][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][N][C][C@H1][C][C@H1][Ring1][Branch1][C][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2]
|
N13C[C@H]2C[C@H]1CC[C@@H]25.c16ccc2scnc2c1.C[C@H](CCO)C3=O.C46=O.N45
|
Cn1nccc1CCC(=O)NC[C@@H]1CCN1C(=O)[C@@H](O)c1ccnn1C
|
Cnnccc5CCC=O)NC[C@@H]CCN4C=O)[C@@H]O)cccnn5C
|
[C][N][N][=C][C][=C][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][=C][C][=N][N][Ring1][Branch1][C]
|
Cn1nccc16.c17ccnn1C.C6CC2=O.[C@@H]15CCN13.C3(=O)[C@H]7O.N24.C45
|
C=C[C@@]1(c2cn(CC(N)=O)nn2)COCCN1C(=O)C[C@@H]1CC1(Br)Br
|
C=C[C@@]ccnCCN)=O)))nn5)))))COCCN6C=O)C[C@@H]CC3Br)Br
|
[C][=C][C@@][Branch1][S][C][=C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][=N][Ring1][=Branch2][C][O][C][C][N][Ring1][#C][C][=Branch1][C][=O][C][C@@H1][C][C][Ring1][Ring1][Branch1][C][Br][Br]
|
C=C[C@@]16COCCN13.c16cn4nn1.[C@@H]15CC1(Br)Br.C4C(N)=O.C3(=O)C5
|
Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@@H](NC(=O)c2coc(Br)c2)C1
|
Cnncc[N+]=O)[O-]))c5C=O)N[C@@H]CCC[C@@H]NC=O)ccocBr)c5)))))))C6
|
[C][N][N][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C@@H1][C][C][C][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C][=C][O][C][Branch1][C][Br][=C][Ring1][=Branch1][C][Ring1][#C]
|
Cn1ncc([N+](=O)[O-])c17.[C@@H]15CCC[C@@H]6C1.c18coc(Br)c1.C37=O.C48=O.N35.N46
|
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