SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
CCC[C@@H]1C(=O)NCCN1[C@@H](C(=O)NCCCOC)c1cc(CN(C)C)on1
|
CCC[C@@H]C=O)NCCN6[C@@H]C=O)NCCCOC)))))))cccCNC)C)))on5
|
[C][C][C][C@@H1][C][=Branch1][C][=O][N][C][C][N][Ring1][#Branch1][C@@H1][Branch1][O][C][=Branch1][C][=O][N][C][C][C][O][C][C][C][=C][Branch1][#Branch1][C][N][Branch1][C][C][C][O][N][=Ring1][=Branch2]
|
[C@@H]17C(=O)NCCN14.c18cc9on1.[C@@H]48C2=O.C5CC3.CCC7.N6(C)C.N25.O3C.C69
|
CC(=O)c1nc(C(=O)N2CCCC[C@@H]2C2(NC(=O)[C@@H]3CC3(Cl)Cl)CC2)cs1
|
CC=O)cncC=O)NCCCC[C@@H]6CNC=O)[C@@H]CC3Cl)Cl))))))CC3))))))))))cs5
|
[C][C][=Branch1][C][=O][C][=N][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][C][C][Ring1][O][=C][S][Ring2][Ring1][Branch2]
|
N14CCCC[C@@H]1%10.c17nc8cs1.[C@@H]19CC1(Cl)Cl.C16%10CC1.CC7=O.C48=O.C59=O.N56
|
NC(=O)c1nc(CNC(=O)C[C@H]2[C@H](O)C[C@@H]2NC(=O)[C@@H]2CC3(CCO2)CC3)no1
|
NC=O)cncCNC=O)C[C@H][C@H]O)C[C@@H]4NC=O)[C@@H]CCCCO6)))CC3)))))))))))))))no5
|
[N][C][=Branch1][C][=O][C][=N][C][Branch2][Ring2][Ring2][C][N][C][=Branch1][C][=O][C][C@H1][C@H1][Branch1][C][O][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][Branch1][=Branch1][C][C][O][Ring1][=Branch1][C][C][Ring1][=Branch1][=N][O][Ring2][Ring1][#Branch2]
|
[C@@H]18CC2(CCO1)CC2.c19nc%10no1.[C@H]1%11[C@H](O)C[C@@H]17.C4(=O)C%11.NC9=O.C58=O.C6%10.N46.N57
|
C=C[C@H](C)CC(=O)N(C)CCc1cn(CCN2CC[C@@H](N(C)C)C2)nn1
|
C=C[C@H]C)CC=O)NC)CCccnCCNCC[C@@H]NC)C))C5)))))))nn5
|
[C][=C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][N][Branch1][P][C][C][N][C][C][C@@H1][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][Branch2][N][=N][Ring1][#C]
|
C=C[C@H](C)CC3=O.c18cn7nn1.N15CC[C@@H]6C1.N34C.C4C8.C7C5.N6(C)C
|
CCC(=O)N1C[C@@H](NC(=O)Cc2c(C)[nH]c3ccc(F)cc23)C[C@@]1(C)COC
|
CCC=O)NC[C@@H]NC=O)CccC)[nH]ccccF)cc96))))))))))))C[C@@]5C)COC
|
[C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][O][Ring1][#Branch1][C][C@@][Ring2][Ring1][Ring2][Branch1][C][C][C][O][C]
|
c19c(C)[nH]c2ccc(F)cc12.N14C[C@@H]7C[C@]18C.CCC4=O.C5(=O)C9.N57.C68.O6C
|
CCn1nc2c(c1C(=O)N[C@@H]1CN(C(=O)Cc3occc3C)C[C@H]1O)CCCC2
|
CCnnccc5C=O)N[C@@H]CNC=O)Ccoccc5C))))))))C[C@H]5O)))))))))CCCC6
|
[C][C][N][N][=C][C][=Branch2][Ring1][S][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][O][C][=C][C][=Ring1][Branch1][C][C][C@H1][Ring1][=C][O][C][C][C][C][Ring2][Ring1][=Branch2]
|
n18nc2c(c17)CCCC2.[C@@H]16CN5C[C@H]1O.c19occc1C.C5(=O)C9.C47=O.CC8.N46
|
CCC1(C(=O)N2CC[C@](C)(NC(=O)c3cc(F)cc4cccnc34)C2)CC1
|
CCCC=O)NCC[C@]C)NC=O)cccF)cccccnc%106))))))))))))C5))))))CC3
|
[C][C][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1][C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][=Branch2]
|
c19cc(F)cc2cccnc12.N15CC[C@@]7(C)C1.C18%10CC1.C58=O.C69=O.CC%10.N67
|
CCCC[C@H](O)CCC(=O)N1C[C@@H]2CN(C(=O)c3ncsc3C)C[C@@H]2C1
|
CCCC[C@H]O)CCC=O)NC[C@@H]CNC=O)cncsc5C)))))))C[C@@H]5C8
|
[C][C][C][C][C@H1][Branch1][C][O][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C][N][=C][S][C][=Ring1][Branch1][C][C][C@@H1][Ring1][=N][C][Ring1][S]
|
CCCC[C@H](O)CCC4=O.N14C[C@@H]2CN5C[C@@H]2C1.c16ncsc1C.C56=O
|
Cc1nc(C(=O)NC[C@]23CC[C@H]2CN(C(=O)CSc2n[nH]c(=N)s2)C3)co1
|
CcncC=O)NC[C@]CC[C@H]4CNC=O)CScn[nH]c=N)s5))))))))C7))))))))))co5
|
[C][C][=N][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@][C][C][C@H1][Ring1][Ring2][C][N][Branch1][P][C][=Branch1][C][=O][C][S][C][=N][NH1][C][=Branch1][C][=N][S][Ring1][=Branch1][C][Ring1][P][=C][O][Ring2][Ring1][#Branch2]
|
[C@]129CC[C@H]1CN5C2.Cc1nc8co1.c1%10n[nH]c(=N)s1.C5(=O)C7.C48=O.N46.C69.S7%10
|
CN(C(=O)C[C@H]1CC[C@@H](NC(=O)c2nccn2C)C1)c1ccccc1
|
CNC=O)C[C@H]CC[C@@H]NC=O)cnccn5C))))))))C5)))))))cccccc6
|
[C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][C@H1][C][C][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=N][C][=C][N][Ring1][Branch1][C][C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
[C@H]18CC[C@@H]6C1.c17nccn1C.c15ccccc1.C3(=O)C8.CN35.C47=O.N46
|
CCn1ncc2c(NC3(C4CN(C(=O)C[C@H]5SC(=N)NC5=O)C4)CC3)ncnc21
|
CCnncccNCCCNC=O)C[C@H]SC=N)NC5=O))))))))C4))))CC3))))ncnc69
|
[C][C][N][N][=C][C][=C][Branch2][Ring2][C][N][C][Branch2][Ring1][=Branch2][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C@H1][S][C][=Branch1][C][=N][N][C][Ring1][=Branch1][=O][C][Ring1][=C][C][C][Ring1][P][N][=C][N][=C][Ring2][Ring1][Branch2][Ring2][Ring1][O]
|
n19ncc2c8ncnc21.C17(C2CN6C2)CC1.[C@H]1%10SC(=N)NC1=O.C6(=O)C%10.CC9.N78
|
CCc1ncc(Br)cc1C(=O)NCCCC(C)(C)NC(=O)CC(F)F
|
CCcnccBr)cc6C=O)NCCCCC)C)NC=O)CCF)F
|
[C][C][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][F][F]
|
c17ncc(Br)cc16.C4CCC5(C)C.C3(=O)CC(F)F.C26=O.CC7.N24.N35
|
CN1CCC(=CC(=O)N2CCCC[C@H]2CNC(=O)C2CCC=CCC2)CC1
|
CNCCC=CC=O)NCCCC[C@H]6CNC=O)CCCC=CCC7))))))))))))))))))CC6
|
[C][N][C][C][C][=Branch2][Ring1][=N][=C][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][=C][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch2]
|
CN1CCC=7CC1.N13CCCC[C@H]18.C16CCC=CCC1.C=7C3=O.C46=O.C58.N45
|
Cc1n[nH]cc1C(=O)N[C@@H](C(=O)N[C@H]1C(=O)OC[C@H]1CO)C1(O)CCC1
|
Ccn[nH]cc5C=O)N[C@@H]C=O)N[C@H]C=O)OC[C@H]5CO)))))))))CO)CCC4
|
[C][C][=N][NH1][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@H1][C][=Branch1][C][=O][O][C][C@H1][Ring1][=Branch1][C][O][C][Branch1][C][O][C][C][C][Ring1][Branch1]
|
[C@H]15C(=O)OC[C@H]18.Cc1n[nH]cc16.[C@@H]47C3=O.C17(O)CCC1.C26=O.N24.N35.C8O
|
CC(F)(F)C(=O)N[C@@H]1CN(C(=O)/C=C/c2cc3ccccc3o2)C[C@H]1F
|
CCF)F)C=O)N[C@@H]CNC=O)/C=C/cccccccc6o9))))))))))))C[C@H]5F
|
[C][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][C@@H1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C@H1][Ring2][Ring1][C][F]
|
C=7c1cc2ccccc2o1.[C@@H]16CN5C[C@H]1F.CC(F)(F)C4=O.C5(=O)C=7.N46
|
O=C(C[C@@H]1COCCN1Cc1cccc([N+](=O)[O-])c1Cl)N1CCO[C@H](O)C1
|
O=CC[C@@H]COCCN6Cccccc[N+]=O)[O-]))c6Cl)))))))))))))))NCCO[C@H]O)C6
|
[O][=C][Branch2][Ring1][O][C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][Cl][N][C][C][O][C@H1][Branch1][C][O][C][Ring1][#Branch1]
|
c15cccc([N+](=O)[O-])c1Cl.[C@@H]14COCCN13.N12CCO[C@H](O)C1.O=C2C4.C35
|
CC(C)c1ccc(C(=O)N2C[C@H](NC(=O)c3cccc(CCO)c3)[C@@H](C)C2)cn1
|
CCC)ccccC=O)NC[C@H]NC=O)cccccCCO)))c6))))))))[C@@H]C)C5))))))cn6
|
[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring2][C][C][O][=C][Ring1][=Branch2][C@@H1][Branch1][C][C][C][Ring2][Ring1][C][C][=N][Ring2][Ring1][#Branch2]
|
c19ccc7cn1.N14C[C@H]6[C@@H](C)C1.c18cccc%10c1.CC9C.C47=O.C58=O.C%10CO.N56
|
COC(=O)C1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@H]3COCCO3)c2)CC1
|
COC=O)CCCNS=O)=O)cccccC=O)NC[C@H]COCCO6)))))))))c6)))))))CC6
|
[C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C@H1][C][O][C][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][Ring2][Ring1][=Branch2]
|
S7(=O)(=O)c1cccc9c1.C18CCN7CC1.[C@H]1%10COCCO1.C48=O.C59=O.CO4.N56.C6%10
|
CN(C)C(=O)C(=O)N[C@H]1C[C@@H](F)CN(C(=O)[C@]2(C)Cc3ccccc3C(=O)O2)C1
|
CNC)C=O)C=O)N[C@H]C[C@@H]F)CNC=O)[C@]C)Ccccccc6C=O)O%10)))))))))))C6
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch1][C][F][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][N][C][Ring2][Ring1][Branch1]
|
[C@@]18(C)Cc2ccccc2C(=O)O1.[C@H]17C[C@@H](F)CN6C1.C4(=O)C5=O.CN4C.C68=O.N57
|
Cc1c(Cl)cc(Cl)nc1[C@H](C(=O)NC1(C)CC1)N1CCOC[C@H]1C[C@@H]1CCOC1
|
CccCl)ccCl)nc6[C@H]C=O)NCC)CC3)))))NCCOC[C@H]6C[C@@H]CCOC5
|
[C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][N][=C][Ring1][Branch2][C@H1][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][Ring2][N][C][C][O][C][C@H1][Ring1][=Branch1][C][C@@H1][C][C][O][C][Ring1][Branch1]
|
Cc1c(Cl)cc(Cl)nc16.N13CCOC[C@H]15.[C@@H]36C2=O.[C@@H]17CCOC1.C14(C)CC1.N24.C57
|
CC[C@H](C)OCC(=O)N1CCC[C@H]2CN(C(=O)CSC(F)(F)F)C[C@H]21
|
CC[C@H]C)OCC=O)NCCC[C@H]CNC=O)CSCF)F)F)))))C[C@H]59
|
[C][C][C@H1][Branch1][C][C][O][C][C][=Branch1][C][=O][N][C][C][C][C@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][S][C][Branch1][C][F][Branch1][C][F][F][C][C@H1][Ring1][=N][Ring1][P]
|
N13CCC[C@H]2CN4C[C@H]21.S7C(F)(F)F.CC[C@@H]5C.C6C3=O.C4(=O)C7.O56
|
CC[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CCN(C(=O)c3ccncc3NC)O2)C1
|
CC[C@@H]C[C@H]C)CNC=O)[C@@H]CCNC=O)cccncc6NC)))))))))O5))))))C6
|
[C][C][C@@H1][C][C@H1][Branch1][C][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C@@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][O][Ring1][#C][C][Ring2][Ring1][Branch2]
|
[C@@H]18C[C@H](C)CN4C1.[C@@H]16CCN(C7=O)O1.c17ccncc15.C46=O.CC8.N5C
|
Cc1nc[nH]c(=NC[C@H]2CC[C@H](NC(=O)C[C@H]3CCCC(C)(C)O3)CC2)c1F
|
Ccnc[nH]c=NC[C@H]CC[C@H]NC=O)C[C@H]CCCCC)C)O6)))))))))CC6))))))))c6F
|
[C][C][N][=C][NH1][C][=Branch2][Ring2][Ring1][=N][C][C@H1][C][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C@H1][C][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2][C][C][Ring2][Ring1][C][C][=Ring2][Ring1][#Branch2][F]
|
Cc1nc[nH]c(=NC7)c1F.[C@H]16CCCC(C)(C)O1.[C@H]17CC[C@H]5CC1.C4(=O)C6.N45
|
NC(=O)N1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[C@@H]4CC[C@H]3C4)C2)CC1
|
NC=O)NCCCC=O)NCCNC=O)[C@@H]C[C@@H]CC[C@H]6C5))))))))C4))))))CC6
|
[N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][C][C@H1][Ring1][=Branch1][C][Ring1][Branch1][C][Ring1][=N][C][C][Ring2][Ring1][=Branch1]
|
N15CCC9CC1.[C@@H]1%10C[C@@H]2CC[C@H]1C2.C18CN7C1.NC5=O.C69=O.C7%10=O.N68
|
COC(=O)CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ncc(Br)nc1C#N
|
COC=O)CS=O)=O)NCCCC[C@H]6C=O)NcnccBr)nc6C#N
|
[C][O][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][Br][N][=C][Ring1][#Branch1][C][#N]
|
c15ncc(Br)nc1C#N.C2(=O)CS4(=O)=O.N14CCCC[C@H]16.C36=O.CO2.N35
|
O=C(NCCN(C(=O)[C@@H]1CC[C@@H](O)C1)C1CCCC1)[C@@H]1Cc2ccc(Cl)cc21
|
O=CNCCNC=O)[C@@H]CC[C@@H]O)C5))))))CCCCC5)))))))))[C@@H]CccccCl)cc68
|
[O][=C][Branch2][Ring1][N][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@@H1][C][C][C@@H1][Branch1][C][O][C][Ring1][=Branch1][C][C][C][C][C][Ring1][Branch1][C@@H1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][=Branch2]
|
O=C3[C@@H]1Cc2ccc(Cl)cc21.[C@@H]18CC[C@@H](O)C1.C17CCCC1.C5C6.N467.C48=O.N35
|
CC[C@H](COC)C(=O)N[C@H]1CN(C(=O)Cn2cc(Br)c(C)n2)CCC1(C)C
|
CC[C@H]COC)))C=O)N[C@H]CNC=O)CnccBr)cC)n5)))))))CCC6C)C
|
[C][C][C@H1][Branch1][Ring2][C][O][C][C][=Branch1][C][=O][N][C@H1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][Br][C][Branch1][C][C][=N][Ring1][#Branch1][C][C][C][Ring1][S][Branch1][C][C][C]
|
[C@H]16CN4CCC1(C)C.CC[C@H](C5)C3=O.n17cc(Br)c(C)n1.C4(=O)C7.O5C.N36
|
O=C(CCCc1cncs1)N[C@@H]1CCN(C(=O)c2cccc3scnc23)C[C@@H]1O
|
O=CCCCccncs5))))))))N[C@@H]CCNC=O)cccccscnc95))))))))))C[C@@H]6O
|
[O][=C][Branch1][O][C][C][C][C][=C][N][=C][S][Ring1][Branch1][N][C@@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][S][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][C@@H1][Ring1][P][O]
|
c17cccc2scnc12.[C@@H]16CCN5C[C@@H]1O.O=C4CCC8.c18cncs1.C57=O.N46
|
CN(C)CC(=O)NCC(=O)N[C@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3CC(=O)[C@H]2O3)C1
|
CNC)CC=O)NCC=O)N[C@H]CCC[C@H]NC=O)[C@@H]C[C@H]CC=O)[C@H]6O5)))))))))C6
|
[C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C@H1][C][C][=Branch1][C][=O][C@H1][Ring1][#Branch1][O][Ring1][=Branch1][C][Ring1][P]
|
[C@@H]1%11C[C@H]2CC(=O)[C@H]1O2.[C@H]19CCC[C@H]%10C1.C7C4=O.C8C5=O.CN7C.C6%11=O.N48.N59.N6%10
|
CCn1nccc1C(=O)NC12CC(CNC(=O)[C@H](C)CC(F)F)(C1)OC2(C)C
|
CCnnccc5C=O)NCCCCNC=O)[C@H]C)CCF)F)))))))C4)OC5C)C
|
[C][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C][Branch1][C][F][F][Branch1][Ring2][C][Ring1][=C][O][C][Ring1][S][Branch1][C][C][C]
|
C126CC9(C1)OC2(C)C.C4(=O)[C@H](C)CC(F)F.n18nccc17.C37=O.CC8.N36.C59.N45
|
CCC[C@@H](CCCS(C)(=O)=O)C(=O)O[C@H](C)c1cn(CC)nn1
|
CCC[C@@H]CCCSC)=O)=O)))))C=O)O[C@H]C)ccnCC))nn5
|
[C][C][C][C@@H1][Branch1][N][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C][=C][N][Branch1][Ring1][C][C][N][=N][Ring1][#Branch1]
|
CCC[C@@H](CCCS(C)(=O)=O)C2=O.c15cn4nn1.[C@H]35C.O23.C4C
|
CC[C@@H](CNC(=O)COc1ccc(C)cc1Br)NC(=O)[C@@]1(C)C=CCC1
|
CC[C@@H]CNC=O)COccccC)cc6Br))))))))))))NC=O)[C@@]C)C=CCC5
|
[C][C][C@@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Br][N][C][=Branch1][C][=O][C@@][Branch1][C][C][C][=C][C][C][Ring1][=Branch1]
|
c15ccc(C)cc1Br.[C@]18(C)C=CCC1.CC[C@H]6C7.C2(=O)C4.C38=O.N27.O45.N36
|
COc1ccc(C(=O)N2C[C@H](NC(=O)CCC(F)(F)F)[C@H]3CCCC[C@@H]32)cc1C
|
COccccC=O)NC[C@H]NC=O)CCCF)F)F))))))[C@H]CCCC[C@@H]69))))))))))cc6C
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][C][C][Branch1][C][F][Branch1][C][F][F][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][Ring2][Ring1][C][C][=C][Ring2][Ring1][#Branch2][C]
|
N14C[C@H]7[C@H]2CCCC[C@@H]21.c16ccc8cc1C.C5(=O)CCC(F)(F)F.C48=O.CO6.N57
|
Cc1ccc2ncc(C(=O)NC[C@H](C)CNC(=O)[C@H]3CC(C)(C)O3)c(=O)n2c1
|
CccccnccC=O)NC[C@H]C)CNC=O)[C@H]CCC)C)O4)))))))))))c=O)n6c%10
|
[C][C][C][=C][C][=N][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1][C][=Ring2][Ring1][O]
|
Cc1ccc2ncc9c(=O)n2c1.[C@H]18CC(C)(C)O1.C6[C@H](C)C7.C49=O.C58=O.N46.N57
|
C=CC[C@]1(C(=O)Nc2cnc(O)cc2C)CCN(C(=O)c2ccc(=N)[nH]c2)C1
|
C=CC[C@]C=O)NccncO)cc6C)))))))))CCNC=O)cccc=N)[nH]c6)))))))C5
|
[C][=C][C][C@][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][N][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=N][NH1][C][=Ring1][#Branch1][C][Ring2][Ring1][=Branch2]
|
c15cnc(O)cc1C.[C@]168CCN4C1.c17ccc(=N)[nH]c1.C=CC8.C36=O.C47=O.N35
|
COCCC1(NC(=O)Cc2cncs2)CCN(C(=O)[C@@H]2CC[C@@H](OC)C2)CC1
|
COCCCNC=O)Cccncs5))))))))CCNC=O)[C@@H]CC[C@@H]OC))C5))))))CC6
|
[C][O][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][N][=C][S][Ring1][Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C][C][C@@H1][Branch1][Ring1][O][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch2]
|
C17%10CCN4CC1.[C@@H]18CC[C@@H]6C1.c19cncs1.C3(=O)C9.C5C%10.C48=O.CO5.N37.O6C
|
CCc1cccc([C@H](C(=O)N[C@H](C)c2ccccc2)N2CC[S@@+]([O-])CC[C@H]2C)n1
|
CCccccc[C@H]C=O)N[C@H]C)cccccc6)))))))))NCC[S@@+][O-])CC[C@H]7C)))))))))n6
|
[C][C][C][=C][C][=C][C][Branch2][Ring2][Ring1][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][S@@+1][Branch1][C][O-1][C][C][C@H1][Ring1][Branch2][C][=N][Ring2][Ring1][O]
|
N14CC[S@@+]([O-])CC[C@H]1C.c16cccc7n1.c18ccccc1.[C@@H]47C3=O.[C@H]58C.CC6.N35
|
Cc1cc(C(=O)N[C@@H]2CCC[C@]23CCN(C(=O)CCCF)C3)ncc1Br
|
CcccC=O)N[C@@H]CCC[C@]5CCNC=O)CCCF)))))C5)))))))))))ncc6Br
|
[C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@@H1][C][C][C][C@][Ring1][Branch1][C][C][N][Branch1][=Branch2][C][=Branch1][C][=O][C][C][C][F][C][Ring1][O][=N][C][=C][Ring2][Ring1][Branch2][Br]
|
[C@@H]16CCC[C@]12CCN5C2.Cc1cc7ncc1Br.C5(=O)CCCF.C47=O.N46
|
CC(C)c1nccn1CCC(=O)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cnns1)C2
|
CCC)cnccn5CCC=O)N[C@H]C[C@H]CC[C@H]6NC=O)ccnns5))))))C6
|
[C][C][Branch1][C][C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][N][Branch1][N][C][=Branch1][C][=O][C][=C][N][=N][S][Ring1][Branch1][C][Ring1][=N]
|
[C@H]15C[C@H]2CC[C@H]1N4C2.c18nccn17.C7CC3=O.c16cnns1.CC8C.C46=O.N35
|
CC1(C)[C@H]2CC[C@@]1(C(=O)N1CC(C(=O)N3C[C@H]4C=C[C@H]3CC4)(C3CC3)C1)C2
|
CCC)[C@H]CC[C@@]5C=O)NCCC=O)NC[C@H]C=C[C@H]6CC6)))))))))CCC3)))C4)))))C5
|
[C][C][Branch1][C][C][C@H1][C][C][C@@][Ring1][=Branch1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][Branch1][P][C][=Branch1][C][=O][N][C][C@H1][C][=C][C@H1][Ring1][=Branch1][C][C][Ring1][=Branch1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][P][C][Ring2][Ring1][Branch2]
|
CC1(C)[C@H]2CC[C@@]17C2.N15CC8(C2CC2)C1.N16C[C@H]2C=C[C@H]1CC2.C57=O.C68=O
|
O=C(Cn1ncnn1)N[C@@H]1CCN(C(=O)C2CCCCC2)C[C@@H]1F
|
O=CCnncnn5))))))N[C@@H]CCNC=O)CCCCCC6)))))))C[C@@H]6F
|
[O][=C][Branch1][=Branch2][C][N][N][=C][N][=N][Ring1][Branch1][N][C@@H1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][C@@H1][Ring1][=C][F]
|
[C@@H]15CCN4C[C@@H]1F.C16CCCCC1.n17ncnn1.O=C3C7.C46=O.N35
|
CO[C@@H](CNC(=O)c1cnn(C(F)F)c1)C(=O)NCc1cccc(O)n1
|
CO[C@@H]CNC=O)ccnnCF)F))c5))))))))C=O)NCcccccO)n6
|
[C][O][C@@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][F][F][C][=Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][O][=N][Ring1][#Branch1]
|
c19cccc(O)n1.[C@H]4(C5)C3=O.c17cnn8c1.C27=O.C8(F)F.CO4.N25.N36.C69
|
CC[C@H](C)CCC(=O)N1CC[C@@H](NC(=O)C=Cc2nnc(C(C)C)o2)C(C)(C)C1
|
CC[C@H]C)CCC=O)NCC[C@@H]NC=O)C=CcnncCC)C))o5)))))))))CC)C)C6
|
[C][C][C@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][O][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Branch1]
|
N13CC[C@@H]5C(C)(C)C1.CC[C@H](C)CCC3=O.C=6c1nnc7o1.C4(=O)C=6.C7(C)C.N45
|
CCCCCCC[C@H](F)C(=O)NC[C@@H](CNC(=O)c1cncs1)OC
|
CCCCCCC[C@H]F)C=O)NC[C@@H]CNC=O)ccncs5))))))))OC
|
[C][C][C][C][C][C][C][C@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C@@H1][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][N][=C][S][Ring1][Branch1][O][C]
|
CCCCCCC[C@H](F)C2=O.C5[C@H]4C6.c17cncs1.C37=O.N25.N36.O4C
|
Cc1cc(-c2ccc([C@H](C)O)cc2)cnc1NC(=O)c1cccc2nccn12
|
Cccc-cccc[C@H]C)O))cc6))))))cnc6NC=O)cccccnccn95
|
[C][C][=C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C@H1][Branch1][C][C][O][C][=C][Ring1][=Branch2][=C][N][=C][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][N][Ring1][=Branch2][Ring1][Branch1]
|
c15cccc2nccn12.Cc1cc7cnc14.c17ccc6cc1.[C@@H]6(C)O.C35=O.N34
|
CC(C)c1ccc(C(=O)N2C[C@@H]3CC[C@]3(CNC(=O)C(C)(F)F)C2)cc1F
|
CCC)ccccC=O)NC[C@@H]CC[C@]4CNC=O)CC)F)F)))))C7))))))))cc6F
|
[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@][Ring1][Ring2][Branch1][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][F][F][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1][F]
|
c19ccc7cc1F.N14C[C@@H]2CC[C@]28C1.C5(=O)C(C)(F)F.CC9C.C47=O.C68.N56
|
COCC1(C(=O)NC[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2csc(=N)[nH]2)C3)CC=CC1
|
COCCC=O)NC[C@@H]C[C@H]C[C@@H]C6)NC=O)ccsc=N)[nH]5))))))C5))))))))))CC=CC5
|
[C][O][C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][N][Branch1][#C][C][=Branch1][C][=O][C][=C][S][C][=Branch1][C][=N][NH1][Ring1][=Branch1][C][Ring1][=C][C][C][=C][C][Ring2][Ring1][=Branch2]
|
[C@@H]1%11C[C@H]2C[C@@H](C1)N5C2.C19%10CC=CC1.c18csc(=N)[nH]1.C49=O.C58=O.CO6.C6%10.N47.C7%11
|
CCC(CC)[C@H](OC)C(=O)NC[C@H](CC(F)(F)F)NC(=O)CCn1cc(Cl)cn1
|
CCCCC))[C@H]OC))C=O)NC[C@H]CCF)F)F)))NC=O)CCnccCl)cn5
|
[C][C][C][Branch1][Ring1][C][C][C@H1][Branch1][Ring1][O][C][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][C][N][C][=C][Branch1][C][Cl][C][=N][Ring1][=Branch1]
|
CCC(CC)[C@H]4C2=O.C5[C@@H]6CC(F)(F)F.n17cc(Cl)cn1.C3(=O)CC7.O4C.N25.N36
|
CC(=O)N(C)CC(=O)N1CC[C@H](CO)[C@H](NC(=O)[C@@H](F)CC2CC2)CC1
|
CC=O)NC)CC=O)NCC[C@H]CO))[C@H]NC=O)[C@@H]F)CCCC3)))))))CC7
|
[C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][S][N][C][=Branch1][C][=O][C@@H1][Branch1][C][F][C][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][C]
|
N14CC[C@@H]7[C@@H]8CC1.C5(=O)[C@@H](F)C9.C6C4=O.CC3=O.N36C.C19CC1.C8O.N57
|
CC[C@H](C(=O)N1CC(CO)(C(=O)O)C1)c1cc(OC)c(OC)c(OC)c1
|
CC[C@H]C=O)NCCCO))C=O)O))C4)))))cccOC))cOC))cOC))c6
|
[C][C][C@H1][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N]
|
c18cc3c4c5c1.CC[C@@H]8C2=O.N12CC67C1.C6(=O)O.C7O.O3C.O4C.O5C
|
C=C(C)CCC(=O)N[C@@](C)(CNC(=O)/C=C/c1ccc(Cl)s1)Cn1cccn1
|
C=CC)CCC=O)N[C@@]C)CNC=O)/C=C/ccccCl)s5))))))))))Cncccn5
|
[C][=C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@][Branch1][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][N][C][=C][C][=N][Ring1][Branch1]
|
C=C(C)CCC2=O.C=6c1ccc(Cl)s1.[C@@]4(C)(C5)C7.n17cccn1.C3(=O)C=6.N24.N35
|
CCc1ncc(C(=O)N2CC[C@@H](OCCNC(=O)CCc3cccs3)C2)c(O)n1
|
CCcnccC=O)NCC[C@@H]OCCNC=O)CCccccs5))))))))))))C5))))))cO)n6
|
[C][C][C][=N][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][C][O][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][S][Ring1][Branch1][C][Ring2][Ring1][C][C][Branch1][C][O][=N][Ring2][Ring1][O]
|
c1%10ncc9c(O)n1.N14CC[C@@H]7C1.C5(=O)CC%11.c1%11cccs1.C49=O.C6C8.CC%10.O67.N58
|
CC[C@H](C(=O)Nc1ncc(I)c(O)n1)N(C)C(=O)OC(C)(C)C
|
CC[C@H]C=O)NcnccI)cO)n6))))))))NC)C=O)OCC)C)C
|
[C][C][C@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][I][C][Branch1][C][O][=N][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
c17ncc(I)c(O)n1.CC[C@@H]6C3=O.C5(C)(C)C.N46C.C24=O.N37.O25
|
Cc1c(C(=O)N[C@H]2CCC[C@@H](NC(=O)c3ccc[nH]3)C2)nnn1C(C)C
|
CccC=O)N[C@H]CCC[C@@H]NC=O)cccc[nH]5)))))))C6))))))))nnn5CC)C
|
[C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C@H1][C][C][C][C@@H1][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][Ring1][=C][N][=N][N][Ring2][Ring1][=Branch1][C][Branch1][C][C][C]
|
Cc1c8nnn1%10.[C@H]16CCC[C@@H]7C1.c19ccc[nH]1.C48=O.C59=O.C%10(C)C.N46.N57
|
CC[C@H](SC)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](NC(=O)[C@H](O)c2ccccc2)C1
|
CC[C@H]SC))C=O)NCC[C@@H]CF)F)F))[C@@H]NC=O)[C@H]O)cccccc6)))))))))C6
|
[C][C][C@H1][Branch1][Ring1][S][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1]
|
N13CC[C@@H]7[C@@H]6C1.CC[C@H]5C3=O.c18ccccc1.C4(=O)[C@@H]8O.C7(F)(F)F.S5C.N46
|
C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCCC2(CN(C(=O)[C@@]3(C)CCCCO3)C2)O1
|
C[C@@H]C[C@@H]3C=O)NC[C@@H]CCCCCNC=O)[C@@]C)CCCCO6)))))))C4)))O6
|
[C][C@@H1][C][C@@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C][Branch2][Ring1][#Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C][C][O][Ring1][#Branch1][C][Ring1][=N][O][Ring2][Ring1][C]
|
[C@@H]19CCCC2(CN5C2)O1.[C@]17(C)CCCCO1.C[C@@H]1C[C@@H]18.C48=O.C57=O.N46.C69
|
C[C@@H]1CC[C@H](O)[C@H](NC(=O)[C@H]2CCN(C(=O)CCc3ccn(C)n3)C[C@H]2O)C1
|
C[C@@H]CC[C@H]O)[C@H]NC=O)[C@H]CCNC=O)CCcccnC)n5))))))))C[C@H]6O)))))))))C6
|
[C][C@@H1][C][C][C@H1][Branch1][C][O][C@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][C][C@H1][Ring1][S][O][C][Ring2][Ring1][O]
|
C[C@@H]1CC[C@H](O)[C@H]6C1.[C@H]17CCN5C[C@H]1O.c18ccn(C)n1.C5(=O)CC8.C47=O.N46
|
N#Cc1occc1S(=O)(=O)Nc1ccccc1S(=O)(=O)N1CCOCC1
|
N#Ccoccc5S=O)=O)Ncccccc6S=O)=O)NCCOCC6
|
[N][#C][C][O][C][=C][C][=Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1]
|
N#Cc1occc1S2(=O)=O.c14ccccc1S3(=O)=O.N13CCOCC1.N24
|
CCC[C@@](C)(O)C(=O)N1CCC(NC(=O)c2cnc3scnc3c2)CC1
|
CCC[C@@]C)O)C=O)NCCCNC=O)ccncscnc5c9)))))))))))CC6
|
[C][C][C][C@@][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][N][=C][S][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][Ring2][Ring1][C]
|
c17cnc2scnc2c1.CCC[C@@](C)(O)C4=O.N14CCC6CC1.C57=O.N56
|
O=C(CCOCc1ccccc1)NCC1CN(C(=O)[C@H](F)c2ccccc2)C1
|
O=CCCOCcccccc6))))))))))NCCCNC=O)[C@H]F)cccccc6))))))))C4
|
[O][=C][Branch1][=N][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C@H1][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C]
|
c19ccccc1.c1%10ccccc1.O=C3CC5.C18CN4C1.C4(=O)[C@@H]%10F.O56.C69.N37.C78
|
CN(CC(=O)NC[C@H]1CCN(C(=O)CC2(O)CCCCC2)C1)C(=O)c1ccsc1
|
CNCC=O)NC[C@H]CCNC=O)CCO)CCCCC6))))))))C5)))))))))C=O)cccsc5
|
[C][N][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1][C][Ring1][#C][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1]
|
C1%10(O)CCCCC1.[C@H]19CCN4C1.c18ccsc1.C6C3=O.C4(=O)C%10.CN56.C58=O.N37.C79
|
CN(C[C@H]1CCCN(C(=O)C=CCO)C1)C(=O)C[C@H]1COC(C)(C)CO1
|
CNC[C@H]CCCNC=O)C=CCO)))))C6)))))))C=O)C[C@H]COCC)C)CO6
|
[C][N][Branch2][Ring1][Ring2][C][C@H1][C][C][C][N][Branch1][=Branch2][C][=Branch1][C][=O][C][=C][C][O][C][Ring1][N][C][=Branch1][C][=O][C][C@H1][C][O][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2]
|
[C@H]16COC(C)(C)CO1.[C@H]17CCCN2C1.C2(=O)C=5.C3(=O)C6.CN34.C=5CO.C47
|
CCOc1ccc(C(=O)NCCC2(NC(=O)c3[nH]nnc3C3CC3)CC2)cn1
|
CCOccccC=O)NCCCNC=O)c[nH]nnc5CCC3))))))))))CC3)))))))cn6
|
[C][C][O][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][NH1][N][=N][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=C][C][=N][Ring2][Ring1][=Branch2]
|
c18ccc%12cn1.c1%11[nH]nnc15.C1%10%13CC1.C4%12=O.C9C%13.C6%11=O.C15CC1.CC7.O78.N49.N6%10
|
Cc1nccn1CC(=O)N1CCC2(CC1)C[C@H]2NC(=O)c1cnc2ccoc2c1
|
Ccnccn5CC=O)NCCCCC6))C[C@H]3NC=O)ccncccoc5c9
|
[C][C][=N][C][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][O][C][Ring1][Branch1][=C][Ring1][=Branch2]
|
N13CCC2(CC1)C[C@H]25.c16cnc2ccoc2c1.Cc1nccn17.C7C3=O.C46=O.N45
|
C=CC/C=C/CCC(=O)N[C@@H]1CCC[C@H](NC(=O)C(C)(C)CCOC)CC1
|
C=CC/C=C/CCC=O)N[C@@H]CCC[C@H]NC=O)CC)C)CCOC)))))))CC7
|
[C][=C][C][/C][=C][/C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][O][C][C][C][Ring1][P]
|
[C@@H]15CCC[C@H]6CC1.C3(=O)C(C)(C)CC4.C=7CCC2=O.C=CCC=7.N25.N36.O4C
|
COC1(C2CC2)CN(C(=O)[C@H](C)NC(=O)[C@@H](C)n2cc(C)cn2)C1
|
COCCCC3)))CNC=O)[C@H]C)NC=O)[C@@H]C)nccC)cn5))))))))))C4
|
[C][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][=Branch1]
|
C15(C2CC2)CN3C1.n17cc(C)cn1.C3(=O)[C@@H]6C.C4(=O)[C@H]7C.CO5.N46
|
Cc1cccc([C@@H](C)C(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)C(=O)NC(C)C)C3)c1
|
Cccccc[C@@H]C)C=O)N[C@@H]C[C@H]CC[C@H]6NC=O)C=O)NCC)C)))))C6)))))))))))c6
|
[C][C][=C][C][=C][C][Branch2][Ring2][=Branch1][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][N][Branch1][#C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][=C][=C][Ring2][Ring1][O]
|
[C@@H]18C[C@H]2CC[C@H]1N5C2.Cc1cccc9c1.[C@H]9(C)C4=O.C5(=O)C6=O.C7(C)C.N48.N67
|
CC[C@H](CCC(=O)N1CCC[C@H]2CN(C(=O)c3cncc(C(C)=O)c3)C[C@H]21)OC
|
CC[C@H]CCC=O)NCCC[C@H]CNC=O)ccnccCC)=O))c6)))))))C[C@H]59))))))))))))OC
|
[C][C][C@H1][Branch2][Ring2][O][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2][C][C@H1][Ring1][S][Ring2][Ring1][Ring2][O][C]
|
N14CCC[C@H]2CN5C[C@H]21.CC[C@@H]6CCC4=O.c17cncc8c1.C57=O.C8(C)=O.O6C
|
C[C@H]1CCC[C@@H]1C(=O)NCCN(C)C(=O)Cc1cc2cc(Cl)ccc2[nH]1
|
C[C@H]CCC[C@@H]5C=O)NCCNC)C=O)CcccccCl)ccc6[nH]9
|
[C][C@H1][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2]
|
c18cc2cc(Cl)ccc2[nH]1.C[C@H]1CCC[C@@H]17.C4(=O)C8.C37=O.C5C6.N46C.N35
|
CC1(NC(=O)COC[C@H]2CCOC2)CC(NC(=O)c2ccc(C(N)=O)cn2)C1
|
CCNC=O)COC[C@H]CCOC5))))))))))CCNC=O)ccccCN)=O))cn6))))))))C4
|
[C][C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][C@H1][C][C][O][C][Ring1][Branch1][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=N][Ring1][=Branch2][C][Ring2][Ring1][O]
|
c19ccc%10cn1.CC17CC8C1.[C@H]1%11CCOC1.C3(=O)C5.C49=O.C%10(N)=O.N37.O56.C6%11.N48
|
Cc1cnoc1C(=O)N1CC(C)(CC(=O)Nc2nccc3ccccc23)C1
|
Cccnoc5C=O)NCCC)CC=O)Ncncccccccc%106)))))))))))))C4
|
[C][C][C][=N][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring2][Ring1][Ring1]
|
c16nccc2ccccc12.Cc1cnoc17.N14CC8(C)C1.C8C5=O.C47=O.N56
|
COCCn1c(-c2cnnc(O)c2)nnc1N(CC(C)C)C1CCCC1
|
COCCnc-ccnncO)c6))))))nnc5NCCC)C)))CCCCC5
|
[C][O][C][C][N][C][Branch1][N][C][=C][N][=N][C][Branch1][C][O][=C][Ring1][#Branch1][=N][N][=C][Ring1][N][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][Ring1][Branch1]
|
n17c5nnc18.c18cnnc(O)c1.C16CCCC1.C4C(C)C.C3C7.N456.CO3
|
Cc1cc(C(=O)N(C)C[C@@H]2CCCCN2C(=O)C(C)C)c(Cl)cc1N
|
CcccC=O)NC)C[C@@H]CCCCN6C=O)CC)C))))))))))))cCl)cc6N
|
[C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][#Branch1][N]
|
Cc1cc6c(Cl)cc1N.[C@@H]17CCCCN14.C4(=O)C(C)C.C36=O.N35C.C57
|
C[C@@H]1CN(C(=O)CS(N)(=O)=O)C[C@H](C)N1C(=O)[C@@H]1Cc2nccn2C1
|
C[C@@H]CNC=O)CSN)=O)=O))))C[C@H]C)N6C=O)[C@@H]Ccnccn5C8
|
[C][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][S][Branch1][C][N][=Branch1][C][=O][=O][C][C@H1][Branch1][C][C][N][Ring1][=C][C][=Branch1][C][=O][C@@H1][C][C][=N][C][=C][N][Ring1][Branch1][C][Ring1][Branch2]
|
C[C@@H]1CN3C[C@H](C)N14.[C@@H]15Cc2nccn2C1.C3(=O)CS(N)(=O)=O.C45=O
|
O=C(N[C@@H]1CCN(C(=O)Cc2ccc3c(c2)CCCO3)C1)c1ccc(Cl)c(Cl)n1
|
O=CN[C@@H]CCNC=O)Ccccccc6)CCCO6)))))))))))C5))))))ccccCl)cCl)n6
|
[O][=C][Branch2][Ring2][C][N][C@@H1][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][O][Ring1][#Branch1][C][Ring2][Ring1][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=N][Ring1][Branch2]
|
c18ccc2c(c1)CCCO2.c17ccc(Cl)c(Cl)n1.[C@@H]16CCN5C1.C5(=O)C8.O=C47.N46
|
COC(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)CC3(C)CCCCC3)C[C@@H]2C)n1C
|
COC=O)ccccC=O)N[C@@H]CNC=O)CCC)CCCCC6))))))))C[C@@H]5C))))))))n5C
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][C][C][Ring1][#Branch1][C][C@@H1][Ring1][#C][C][N][Ring2][Ring1][Branch2][C]
|
c18ccc9n1C.[C@@H]17CN6C[C@@H]1C.C1%10(C)CCCCC1.C6(=O)C%10.C48=O.C59=O.CO4.N57
|
CCC[C@H](CCCNC(=O)C1(O)CCSCC1)NC(=O)c1ccn2ccsc12
|
CCC[C@H]CCCNC=O)CO)CCSCC6)))))))))))NC=O)cccnccsc85
|
[C][C][C][C@H1][Branch2][Ring1][Ring2][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][C][S][C][C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][N][C][=C][S][C][=Ring1][Branch2][Ring1][Branch1]
|
CCC[C@@H]5CCC6.c18ccn2ccsc12.C17(O)CCSCC1.C37=O.C48=O.N36.N45
|
COCCO[C@H](C)C(=O)N[C@@H](C(=O)N1C[C@H](OC)[C@@H](F)C1)c1ccco1
|
COCCO[C@H]C)C=O)N[C@@H]C=O)NC[C@H]OC))[C@@H]F)C5))))))cccco5
|
[C][O][C][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][C][F][C][Ring1][Branch2][C][=C][C][=C][O][Ring1][Branch1]
|
N13C[C@H]7[C@@H](F)C1.[C@@H]6(C)C2=O.[C@@H]89C3=O.c19ccco1.C4C5.CO4.O56.N28.O7C
|
C#Cc1ccc(C(=O)N(C)C2CN(C(=O)CCn3ccnc3)C2)cc1Cl
|
C#CccccC=O)NC)CCNC=O)CCnccnc5))))))))C4))))))cc6Cl
|
[C][#C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][N][C][=C][N][=C][Ring1][Branch1][C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1][Cl]
|
C#Cc1ccc7cc1Cl.C16CN5C1.C5(=O)CC8.n18ccnc1.C47=O.N46C
|
CCC=C(F)C(=O)N[C@H]1C[C@@H](C(=O)NCc2cc(C)c(C)s2)C1(C)C
|
CCC=CF)C=O)N[C@H]C[C@@H]C=O)NCcccC)cC)s5))))))))C4C)C
|
[C][C][C][=C][Branch1][C][F][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1][C][Ring1][#C][Branch1][C][C][C]
|
[C@H]16C[C@@H]7C1(C)C.c19cc(C)c(C)s1.C=8(F)C3=O.CCC=8.C47=O.N36.N45.C59
|
C[C@@H]1CC[C@@H](C(=O)N2CCC(NC(=O)c3cnc(S)n3C3CC3)CC2)C1
|
C[C@@H]CC[C@@H]C=O)NCCCNC=O)ccncS)n5CCC3))))))))))CC6)))))))C5
|
[C][C@@H1][C][C][C@@H1][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][S][N][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][C][C][Ring2][Ring1][=Branch2]
|
N14CCC6CC1.c17cnc(S)n19.C[C@@H]1CC[C@@H]8C1.C48=O.C57=O.C19CC1.N56
|
CN(CC(C)(C)CNC(=O)C1(c2ccc(O)cc2)CC1)C(=O)[C@@H](CO)C(C)(C)C
|
CNCCC)C)CNC=O)CccccO)cc6))))))CC3))))))))C=O)[C@@H]CO))CC)C)C
|
[C][N][Branch2][Ring1][P][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][#Branch2][C][=Branch1][C][=O][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][C][Branch1][C][C][C]
|
C4(=O)[C@@H](CO)C(C)(C)C.c18ccc(O)cc1.C5C(C)(C)C6.C178CC1.CN45.C37=O.N36
|
CN(C[C@H]1CCCN1C(=O)C[C@H]1CCCCC1(C)C)C(=O)c1cc(F)cc(F)c1
|
CNC[C@H]CCCN5C=O)C[C@H]CCCCC6C)C)))))))))))))))C=O)cccF)ccF)c6
|
[C][N][Branch2][Ring1][#Branch2][C][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C@H1][C][C][C][C][C][Ring1][=Branch1][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2]
|
[C@H]17CCCCC1(C)C.c15cc(F)cc(F)c1.[C@H]16CCCN12.C2(=O)C7.CN34.C35=O.C46
|
CC1(C)CO[C@H](C(=O)NC[C@@](C)(O)CNC(=O)CCc2ccncc2)CO1
|
CCC)CO[C@H]C=O)NC[C@@]C)O)CNC=O)CCcccncc6)))))))))))))))CO6
|
[C][C][Branch1][C][C][C][O][C@H1][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][O][Ring2][Ring1][#Branch2]
|
CC1(C)CO[C@H]7CO1.C5[C@@](C)(O)C6.c18ccncc1.C4(=O)CC8.C37=O.N35.N46
|
C[C@]1(CNC(=O)[C@@]2(C)CCCNC2=O)CCN(C(=O)c2ccccc2Cl)C1
|
C[C@]CNC=O)[C@@]C)CCCNC6=O))))))))))CCNC=O)cccccc6Cl))))))))C5
|
[C][C@][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C][N][C][Ring1][#Branch1][=O][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring2][Ring1][#Branch2]
|
[C@]16(C)CCCNC1=O.C[C@]18CCN4C1.c17ccccc1Cl.C36=O.C47=O.C58.N35
|
CO[C@]1(C(=O)NCC2(C(N)=O)CCCC2)CCN(C(=O)[C@@H](C)n2cncn2)C1
|
CO[C@]C=O)NCCCN)=O))CCCC5))))))))CCNC=O)[C@@H]C)ncncn5)))))))C5
|
[C][O][C@][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][C][C][Ring1][Branch2][C][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][=N][C][=N][Ring1][Branch1][C][Ring2][Ring1][#Branch2]
|
[C@@]157CCN4C1.C18%10CCCC1.C4(=O)[C@H]9C.n19cncn1.C37=O.C8(N)=O.CO5.N36.C6%10
|
CC(=O)[C@@H](C)C[C@@H](C)C(=O)NCCCCCCCC1CC1
|
CC=O)[C@@H]C)C[C@@H]C)C=O)NCCCCCCCCCC3
|
[C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][Ring1][Ring1]
|
CC(=O)[C@@H](C)C[C@@H](C)C2=O.C3CCCCCC4.C14CC1.N23
|
CO[C@](C)(C(=O)N(C)C[C@H]1COCCN1C(=O)C=Cc1cccc(N)c1)C1CC1
|
CO[C@]C)C=O)NC)C[C@H]COCCN6C=O)C=CcccccN)c6))))))))))))))))))CCC3
|
[C][O][C@][Branch1][C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1]
|
C=6c1cccc(N)c1.[C@H]17COCCN13.[C@]48(C)C2=O.C3(=O)C=6.N25C.C18CC1.CO4.C57
|
CCSc1cncc(C(=O)N(CCNC(=O)[C@H]2CC[C@@H](CC)C2)C(C)C)n1
|
CCSccnccC=O)NCCNC=O)[C@H]CC[C@@H]CC))C5)))))))))CC)C))))n6
|
[C][C][S][C][=C][N][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C@@H1][Branch1][Ring1][C][C][C][Ring1][#Branch1][C][Branch1][C][C][C][=N][Ring2][Ring1][Branch2]
|
c14cncc%10n1.[C@H]1%11CC[C@@H]%12C1.C3%10=O.N368.C6C7.C5%11=O.C8(C)C.CC9.S94.N57.C%12C
|
CCC[C@@H](OC)C(=O)NCCCN(C(=O)C1(OC)CC1)C1CC1
|
CCC[C@@H]OC))C=O)NCCCNC=O)COC))CC3))))CCC3
|
[C][C][C][C@@H1][Branch1][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][C][C][Ring1][Branch1][C][C][C][Ring1][Ring1]
|
CCC[C@@H]4C2=O.C6CC7.C159CC1.N378.C39=O.C18CC1.O4C.N26.O5C
|
C=CCCC1(C(=O)N2CCSCC[C@@H]2C)CN(C(=O)c2ccoc2C)C1
|
C=CCCCC=O)NCCSCC[C@@H]7C)))))))))CNC=O)cccoc5C)))))))C4
|
[C][=C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][S][C][C][C@@H1][Ring1][#Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring2][Ring1][=Branch1]
|
N13CCSCC[C@@H]1C.C157CN4C1.c16ccoc1C.C=CCC7.C35=O.C46=O
|
CON(C)CCC(=O)N1CCS[C@H](c2ccccc2F)CC1
|
CONC)CCC=O)NCCS[C@H]cccccc6F)))))))CC7
|
[C][O][N][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][S][C@H1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=C]
|
CON(C)CCC3=O.N13CCS[C@H]4CC1.c14ccccc1F
|
Cc1nn2cc(C(=O)N3[C@@H]4CC[C@H]3C[C@@](O)(CNC(=O)[C@H](C)C3CC3)C4)nc2s1
|
CcnnccC=O)N[C@@H]CC[C@H]5C[C@@]O)CNC=O)[C@H]C)CCC3)))))))C7)))))))))nc5s8
|
[C][C][=N][N][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Ring1][Branch1][C][C@@][Branch1][C][O][Branch1][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][C][Ring1][P][N][=C][Ring2][Ring1][=Branch2][S][Ring2][Ring1][N]
|
N15[C@@H]2CC[C@H]1C[C@]9(O)C2.Cc1nn2cc8nc2s1.C6(=O)[C@@H]%10C.C58=O.C1%10CC1.C79.N67
|
CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2C[C@]2(C(=O)Nc2ccc(OCCO)nc2)C1
|
CNC=O)CC[C@H]5C=O)NC[C@@H]C[C@]3C=O)NccccOCCO))))nc6))))))))C6
|
[C][N][C][=Branch1][C][=O][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C@][Ring1][Ring1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch1][O][C][C][O][N][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring1]
|
CN1C(=O)CC[C@H]18.N13C[C@@H]2C[C@]29C1.c17ccc6nc1.C38=O.C49=O.C5CO.N47.O56
|
C[C@H]1CNC[C@@H](N(Cc2nn(C)cc2Br)c2cc(Oc3ccccc3)ncn2)C1
|
C[C@H]CNC[C@@H]NCcnnC)cc5Br)))))))cccOcccccc6)))))))ncn6)))))))C6
|
[C][C@H1][C][N][C][C@@H1][Branch2][Ring2][Ring1][N][Branch1][=N][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Br][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][=N][C][Ring2][Ring1][N]
|
C[C@H]1CNC[C@@H]8C1.c19nn(C)cc1Br.c17cc4ncn1.c15ccccc1.N678.C69.O45
|
C#CCCCC(=O)N1C[C@@H](OC)C[C@@]1(C)CNC(=O)c1cc(O)nc(C2CC2)n1
|
C#CCCCC=O)NC[C@@H]OC))C[C@@]5C)CNC=O)cccO)ncCCC3)))n6
|
[C][#C][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][Ring1][O][C][C][C@@][Ring1][#Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][#Branch2]
|
N13C[C@@H]5C[C@]18C.c17cc(O)nc9n1.C#CCCCC3=O.C47=O.C19CC1.O5C.C68.N46
|
CCOCCCC(=O)N[C@H]1CCC[C@]1(C)CN(C)C(=O)c1ccc(CC)s1
|
CCOCCCC=O)N[C@H]CCC[C@]5C)CNC)C=O)ccccCC))s5
|
[C][C][O][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C@][Ring1][Branch1][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][C][S][Ring1][#Branch1]
|
[C@H]17CCC[C@@]1%10C.C5CCC2=O.c18ccc9s1.N36C.C38=O.CC4.O45.N27.C6%10.C9C
|
Cc1nc[nH]c1C(=O)N1C[C@H](NC(=O)C[C@@]23CCC[C@H]2C3)CC(F)(F)C1
|
Ccnc[nH]c5C=O)NC[C@H]NC=O)C[C@@]CCC[C@H]5C6)))))))))CCF)F)C6
|
[C][C][N][=C][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][C@@][C][C][C][C@H1][Ring1][Branch1][C][Ring1][=Branch1][C][C][Branch1][C][F][Branch1][C][F][C][Ring2][Ring1][C]
|
N14C[C@H]6CC(F)(F)C1.Cc1nc[nH]c17.[C@@]128CCC[C@H]1C2.C5(=O)C8.C47=O.N56
|
C=CC1(C(=O)NC[C@@H]2CN(C(=O)c3ccc(C)nc3N)CCN2C)CC1
|
C=CCC=O)NC[C@@H]CNC=O)ccccC)nc6N))))))))CCN6C))))))))))CC3
|
[C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][N][C][C][N][Ring1][S][C][C][C][Ring2][Ring1][Branch2]
|
[C@@H]19CN5CCN1C.c18ccc(C)nc1N.C=CC17CC1.C47=O.C58=O.N46.C69
|
CCc1cnc(Cl)[nH]c1=NCC1CC(NC(=O)[C@H](C)CS(C)(=O)=O)C1
|
CCccncCl)[nH]c6=NCCCCNC=O)[C@H]C)CSC)=O)=O))))))C4
|
[C][C][C][=C][N][=C][Branch1][C][Cl][NH1][C][Ring1][#Branch1][=N][C][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][=C]
|
c15cnc(Cl)[nH]c1=NC4.C2(=O)[C@H](C)CS(C)(=O)=O.C14CC3C1.CC5.N23
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.