SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
CC[C@H](COC)C(=O)N1CC[C@@H](CNC(=O)c2c(C)cccc2O)C1(C)C
|
CC[C@H]COC)))C=O)NCC[C@@H]CNC=O)ccC)cccc6O))))))))))C5C)C
|
[C][C][C@H1][Branch1][Ring2][C][O][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][O][C][Ring1][P][Branch1][C][C][C]
|
N13CC[C@@H]8C1(C)C.c17c(C)cccc1O.CC[C@H](C5)C3=O.C47=O.O5C.C68.N46
|
CCc1cc(C(=O)N2CCN(C(=O)COC3CCN(C)CC3)[C@H]3C[C@H]32)oc1CC
|
CCcccC=O)NCCNC=O)COCCCNC)CC6)))))))))[C@H]C[C@H]37))))))))oc5CC
|
[C][C][C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C@H1][C][C@H1][Ring1][Ring1][Ring2][Ring1][C][O][C][=Ring2][Ring1][=Branch2][C][C]
|
N14CCN5[C@H]2C[C@H]21.c1%10cc8oc19.C17CCN(C)CC1.C5(=O)C6.C48=O.CC%10.O67.C9C
|
CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@@H](CC(=O)N2CC[C@H]3CCC[C@H]3CC2)CC1(C)C
|
CCC)C)[C@@H]C[C@H]3C=O)NC[C@@H]CC=O)NCC[C@H]CCC[C@H]5CC%10))))))))))))CC5C)C
|
[C][C][Branch1][C][C][Branch1][C][C][C@@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][C@H1][C][C][C][C@H1][Ring1][Branch1][C][C][Ring1][#Branch2][C][C][Ring2][Ring1][C][Branch1][C][C][C]
|
N15CC[C@H]2CCC[C@H]2CC1.N14C[C@@H]8CC1(C)C.CC7(C)C.[C@@H]17C[C@H]16.C8C5=O.C46=O
|
COC(=O)[C@H](CCN1CCC(OC[C@@H]2CCCO2)CC1)NC(=O)OC(C)(C)C
|
COC=O)[C@H]CCNCCCOC[C@@H]CCCO5)))))))CC6))))))))NC=O)OCC)C)C
|
[C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring1][=Branch1][C][C][N][C][C][C][Branch1][#Branch2][O][C][C@@H1][C][C][C][O][Ring1][Branch1][C][C][Ring1][=N][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
C3(=O)[C@@H]9CC%10.N1%10CCC8CC1.[C@@H]1%11CCCO1.C7(C)(C)C.C45=O.CO3.O68.C6%11.N59.O47
|
CNC(=O)C[C@@H]1CN(C(=O)[C@@]23CCC[C@@H]2C3)CCN1C(=O)C=Cc1ncc(C)[nH]1
|
CNC=O)C[C@@H]CNC=O)[C@@]CCC[C@@H]5C6)))))))CCN6C=O)C=CcnccC)[nH]5
|
[C][N][C][=Branch1][C][=O][C][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C@@][C][C][C][C@@H1][Ring1][Branch1][C][Ring1][=Branch1][C][C][N][Ring1][=C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Branch1][C][C][NH1][Ring1][=Branch1]
|
[C@@H]19CN5CCN16.C=8c1ncc(C)[nH]1.[C@@]127CCC[C@@H]1C2.C4(=O)C9.C6(=O)C=8.C57=O.CN4
|
CCN(CCF)S(=O)(=O)c1cccc(=NCC(C)(C)C(F)(F)CC)[nH]1
|
CCNCCF)))S=O)=O)ccccc=NCCC)C)CF)F)CC))))))[nH]6
|
[C][C][N][Branch1][Ring2][C][C][F][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch2][Ring1][Ring1][=N][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][C][C][NH1][Ring1][S]
|
S4(=O)(=O)c1cccc(=NCC(C)(C)C(F)(F)CC)[nH]1.N234.C3CF.CC2
|
CC(C)C(=O)N1CCC[C@@H](N(C)C(=O)/C=C/c2ccccc2-n2cccn2)CC1
|
CCC)C=O)NCCC[C@@H]NC)C=O)/C=C/cccccc6-ncccn5)))))))))))))))CC7
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][#Branch2][N][Branch1][C][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=N][Ring1][Branch1][C][C][Ring2][Ring1][Branch2]
|
N13CCC[C@@H]5CC1.C=6c1ccccc17.CC(C)C3=O.n17cccn1.C4(=O)C=6.N45C
|
CCOCCO[C@H](C)C(=O)N[C@@H]1CCN(C(=O)c2cccc(C)c2C)C[C@@H]1CC
|
CCOCCO[C@H]C)C=O)N[C@@H]CCNC=O)cccccC)c6C))))))))C[C@@H]6CC
|
[C][C][O][C][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C@@H1][Ring1][S][C][C]
|
[C@@H]19CCN4C[C@@H]1%11.c1%10cccc(C)c1C.[C@@H]8(C)C3=O.C6C7.C4%10=O.CC5.O56.O78.N39.C%11C
|
CSC1(C(=O)N2CCC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3O)CC2)CC1
|
CSCC=O)NCCC[C@H]NC=O)ccc[N+]=O)[O-]))ccc6O)))))))))CC7))))))))CC3
|
[C][S][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][O][C][C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][=Branch2]
|
c19cc([N+](=O)[O-])ccc1O.N14CCC[C@H]7CC1.C168CC1.C48=O.C59=O.CS6.N57
|
Cc1cc(F)ccc1C(=O)N1[C@@H](C)CC[C@H]1C(=O)N1CCC(CO)CC1
|
CcccF)ccc6C=O)N[C@@H]C)CC[C@H]5C=O)NCCCCO))CC6
|
[C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch2]
|
Cc1cc(F)ccc15.N12[C@H]4CC[C@@H]1C.N13CCC6CC1.C25=O.C34=O.C6O
|
COC(=O)c1ccc(N(C)C[C@H](O)CN(C)C(=O)[C@@H](OC)C2CC2)nc1OC
|
COC=O)ccccNC)C[C@H]O)CNC)C=O)[C@@H]OC))CCC3))))))))))nc6OC
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][N][Branch1][C][C][C][C@H1][Branch1][C][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Branch1][Ring1][O][C][C][C][C][Ring1][Ring1][N][=C][Ring2][Ring1][=Branch1][O][C]
|
c1%10ccc9nc16.C7[C@H](O)C8.C4(=O)[C@@H]5%11.C3%10=O.N79C.N48C.C1%11CC1.CO3.O5C.O6C
|
COc1c(Cl)cc(CN2CC3(CC(C(=O)N4CC[C@@H](CO)[C@@H](O)C4)C3)C2)cc1Cl
|
COccCl)ccCNCCCCC=O)NCC[C@@H]CO))[C@@H]O)C6)))))))C4)))C4)))))cc6Cl
|
[C][O][C][=C][Branch1][C][Cl][C][=C][Branch2][Ring2][#Branch1][C][N][C][C][Branch2][Ring1][N][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C][Ring1][=Branch2][C][Ring1][#C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][#Branch2][Cl]
|
c16c(Cl)cc%10cc1Cl.N17CC2(CC8C2)C1.N15CC[C@@H]9[C@@H](O)C1.C58=O.CO6.C7%10.C9O
|
CS[C@@H](C)CCNS(=O)(=O)c1ccc(N[C@@H](CCO)c2ccccc2Cl)c(Cl)c1
|
CS[C@@H]C)CCNS=O)=O)ccccN[C@@H]CCO)))cccccc6Cl)))))))))cCl)c6
|
[C][S][C@@H1][Branch1][C][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C@@H1][Branch1][Ring2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring1]
|
S6(=O)(=O)c1ccc7c(Cl)c1.c18ccccc1Cl.[C@H]5(C)CC3.[C@@H]48CCO.CS5.N36.N47
|
COC[C@@H](C)[C@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)C2(C#N)CCSCC2)CC1
|
COC[C@@H]C)[C@H]C)C=O)NC[C@H]CC[C@H]NC=O)CC#N))CCSCC6))))))))CC6
|
[C][O][C][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][S][C][C][Ring1][Branch2][C][C][Ring1][P]
|
C5[C@@H](C)[C@H](C)C3=O.C18(C#N)CCSCC1.[C@H]19CC[C@H]7CC1.C48=O.CO5.N36.C69.N47
|
C[C@@H](CN[C@H](c1ccc(S(C)(=O)=O)s1)c1nnnn1CCCC1CC1)S(N)(=O)=O
|
C[C@@H]CN[C@H]ccccSC)=O)=O))s5)))))cnnnn5CCCCCC3))))))))))))))SN)=O)=O
|
[C][C@@H1][Branch2][Ring2][#Branch1][C][N][C@H1][Branch2][Ring1][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][S][Ring1][=Branch2][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][Ring1][S][Branch1][C][N][=Branch1][C][=O][=O]
|
c15ccc(S(C)(=O)=O)s1.C[C@@H](C2)S(N)(=O)=O.c16nnnn14.C4CC7.[C@@H]356.C17CC1.N23
|
COC[C@@]1(C(=O)NC[C@@H]2[C@H]3C[C@@H]2N(C(=O)[C@H](NC(N)=O)C(C)(C)C)C3)CCOC1
|
COC[C@@]C=O)NC[C@@H][C@H]C[C@@H]4NC=O)[C@H]NCN)=O)))CC)C)C))))C5)))))))))CCOC5
|
[C][O][C][C@@][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C@@H1][C@H1][C][C@@H1][Ring1][Ring2][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][S][C][C][O][C][Ring2][Ring1][#Branch2]
|
C5(=O)[C@H]9C(C)(C)C.[C@@H]1%12[C@H]2C[C@@H]1N5C2.[C@@]1%10%11CCOC1.C4%10=O.C6(N)=O.CO7.C7%11.N48.C8%12.N69
|
CC(C)(C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCOCC2)C(C)(C)C1)c1cccc(O)c1
|
CCC)C=O)NC[C@@H]NC=O)[C@@H]CCCOCC7)))))))))CC)C)C5))))))cccccO)c6
|
[C][C][Branch1][C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][C][C][C][O][C][C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][P][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]
|
N13C[C@@H]5C(C)(C)C1.[C@@H]16CCCOCC1.c17cccc(O)c1.CC7(C)C3=O.C46=O.N45
|
COC[C@H](NC(C)=O)C(=O)NC[C@H](F)CNC(=O)c1cn(CCO)nn1
|
COC[C@H]NCC)=O)))C=O)NC[C@H]F)CNC=O)ccnCCO)))nn5
|
[C][O][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][F][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][Ring2][C][C][O][N][=N][Ring1][Branch2]
|
C5[C@H]6C3=O.c19cn%10nn1.C7[C@H](F)C8.C2(C)=O.C49=O.C%10CO.CO5.N26.N37.N48
|
C[C@H](NC(=O)c1conc1CNC(=O)CCC(C)(C)F)c1ccccc1
|
C[C@H]NC=O)cconc5CNC=O)CCCC)C)F))))))))))))))cccccc6
|
[C][C@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][O][N][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][F][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
C3(=O)CCC(C)(C)F.c16conc17.c18ccccc1.C[C@H]48.C26=O.N24.C57.N35
|
CC(C)C(C(=O)N1[C@@H]2CC[C@H]1CC(N(C)C(=O)[C@@H](C)c1ncco1)C2)C(C)C
|
CCC)CC=O)N[C@@H]CC[C@H]5CCNC)C=O)[C@@H]C)cncco5))))))))C7)))))))))CC)C
|
[C][C][Branch1][C][C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Ring1][Branch1][C][C][Branch2][Ring1][Ring2][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][=N][C][=C][O][Ring1][Branch1][C][Ring2][Ring1][C][C][Branch1][C][C][C]
|
CC(C)C(C3=O)C(C)C.N13[C@@H]2CC[C@H]1CC5C2.C4(=O)[C@H]6C.c16ncco1.N45C
|
COc1cc(C(=O)NC[C@H](NC(=O)c2nc(SC)ncc2N)C(C)C)sn1
|
COcccC=O)NC[C@H]NC=O)cncSC))ncc6N)))))))))CC)C))))))sn5
|
[C][O][C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][C][Branch1][Ring1][S][C][=N][C][=C][Ring1][Branch2][N][C][Branch1][C][C][C][S][N][=Ring2][Ring1][=Branch2]
|
c19nc%10ncc1N.c15cc8sn1.C6[C@H]7C(C)C.C38=O.C49=O.CO5.N36.N47.S%10C
|
CCO[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1CNC(=O)C=CC1CC1
|
CCO[C@@H]CNC=O)[C@H]CNC)C=O)N5))))))C[C@H]5CNC=O)C=CCCC3
|
[C][C][O][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][C][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C@H1][Ring1][=C][C][N][C][=Branch1][C][=O][C][=C][C][C][C][Ring1][Ring1]
|
[C@@H]16CN3C[C@H]1%10.[C@H]18CN(C)C(=O)N1.C4(=O)C=9.C=9C1CC1.C38=O.CC5.O56.C7%10.N47
|
O=C(N[C@H]1CCC[C@]12CCN(C(=O)c1ccc(CO)c(Cl)c1)C2)C1CCCCC1
|
O=CN[C@H]CCC[C@]5CCNC=O)ccccCO))cCl)c6)))))))C5))))))))))CCCCCC6
|
[O][=C][Branch2][Ring2][Branch1][N][C@H1][C][C][C][C@][Ring1][Branch1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][Ring1][S][C][C][C][C][C][C][Ring1][=Branch1]
|
[C@H]15CCC[C@]12CCN4C2.c17ccc8c(Cl)c1.C16CCCCC1.O=C36.C47=O.N35.C8O
|
CCCC[C@H](O)[C@@H](C)C(=O)N1CCC[C@@H]1CN(CC)C(=O)COc1ccn(C)n1
|
CCCC[C@H]O)[C@@H]C)C=O)NCCC[C@@H]5CNCC))C=O)COcccnC)n5
|
[C][C][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][O][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1]
|
CCCC[C@H](O)[C@@H](C)C2=O.N12CCC[C@@H]18.c15ccn(C)n1.C3(=O)C4.N367.C68.C7C.O45
|
CC[C@@]1(C(=O)NCC(C)C)CCCN(C(=O)COCCF)C1
|
CC[C@@]C=O)NCCC)C)))))CCCNC=O)COCCF))))))C6
|
[C][C][C@@][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][O][C][C][F][C][Ring2][Ring1][Ring2]
|
[C@@]178CCCN3C1.C6C(C)C.C3(=O)C4.C27=O.C5CF.CC8.N26.O45
|
C[C@@H]1[C@H](NC(=O)C=Cc2ccc3ccccc3n2)CCCN1C(=O)[C@H]1CCSC1
|
C[C@@H][C@H]NC=O)C=Cccccccccc6n%10))))))))))))))CCCN6C=O)[C@H]CCSC5
|
[C][C@@H1][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][C][C][N][Ring2][Ring1][Branch1][C][=Branch1][C][=O][C@H1][C][C][S][C][Ring1][Branch1]
|
C=8c1ccc2ccccc2n1.C[C@@H]1[C@H]6CCCN15.[C@H]17CCSC1.C4(=O)C=8.C57=O.N46
|
C[C@H](Cn1cncn1)NC(=O)[C@H]1[C@@H]2CN(C(=O)[C@H]3CCN(C)C3)C[C@@H]21
|
C[C@H]Cncncn5))))))NC=O)[C@H][C@@H]CNC=O)[C@H]CCNC)C5))))))C[C@@H]56
|
[C][C@H1][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C@H1][C][C][N][Branch1][C][C][C][Ring1][=Branch1][C][C@@H1][Ring1][=N][Ring1][=C]
|
[C@@H]17[C@H]2CN5C[C@@H]12.[C@H]18CCN(C)C1.n19cncn1.C[C@@H]6C9.C47=O.C58=O.N46
|
CN(C)CCC1(C(=O)N2CC[C@H]3[C@@H](C2)[C@@H]3C(=O)NC[C@]2(O)C[C@H]3CC[C@@H]2O3)CC1
|
CNC)CCCC=O)NCC[C@H][C@@H]C6)[C@@H]3C=O)NC[C@]O)C[C@H]CC[C@@H]6O5)))))))))))))))))CC3
|
[C][N][Branch1][C][C][C][C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C@H1][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C@@H1][Ring1][Ring2][C][=Branch1][C][=O][N][C][C@][Branch1][C][O][C][C@H1][C][C][C@@H1][Ring1][#Branch1][O][Ring1][Branch1][C][C][Ring2][Ring1][Branch2]
|
N14CC[C@@H]2[C@@H]9[C@@H]2C1.[C@@]1%11(O)C[C@H]2CC[C@@H]1O2.C18%10CC1.CN6C.C6C%10.C48=O.C59=O.N57.C7%11
|
CC(C)[C@H]1CN(C(=O)c2cnc3c(cnn3C)c2)CC[C@H]1NC(=O)c1ccon1
|
CCC)[C@H]CNC=O)ccncccnn5C))))c6)))))))CC[C@H]6NC=O)cccon5
|
[C][C][Branch1][C][C][C@H1][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][#Branch1][C][=N][N][Ring1][Branch1][C][=C][Ring1][#Branch2][C][C][C@H1][Ring2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][O][N][=Ring1][Branch1]
|
c18cnc2c(cnn2C)c1.[C@H]19CN4CC[C@H]16.c17ccon1.CC9C.C48=O.C57=O.N56
|
CC(=O)N1CC[C@@H](C(=O)NC[C@H]2CCN(C(=O)C=Cc3cccnc3)C23CC3)C1
|
CC=O)NCC[C@@H]C=O)NC[C@H]CCNC=O)C=Cccccnc6)))))))))C5CC3))))))))))C5
|
[C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#C][C][C][Ring1][Ring1][C][Ring2][Ring1][#Branch2]
|
[C@H]1%10CCN6C12CC2.C=9c1cccnc1.N14CC[C@@H]8C1.C6(=O)C=9.CC4=O.C58=O.N57.C7%10
|
CCc1nc(C)c(C(=O)NC[C@H]2[C@@H](C)CCN2C(=O)c2ccc(CC3CC3)s2)o1
|
CCcncC)cC=O)NC[C@H][C@@H]C)CCN5C=O)ccccCCCC3))))s5))))))))))))))o5
|
[C][C][C][=N][C][Branch1][C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@H1][C@@H1][Branch1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][S][Ring1][=Branch2][O][Ring2][Ring1][O]
|
c1%10nc(C)c7o1.[C@H]19[C@@H](C)CCN15.c18ccc%11s1.C47=O.C58=O.C1%12CC1.CC%10.N46.C69.C%11%12
|
Cc1cc(C)c(C(=O)NC[C@]2(C)CC[C@H](NC(=O)CC(C)(C)C)C2)[nH]1
|
CcccC)cC=O)NC[C@]C)CC[C@H]NC=O)CCC)C)C)))))C5))))))))[nH]5
|
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=C][NH1][Ring2][Ring1][Branch2]
|
Cc1cc(C)c7[nH]1.[C@@]18(C)CC[C@H]6C1.C4(=O)CC(C)(C)C.C37=O.N35.C58.N46
|
O=C(CCc1ccc(Cl)c(F)c1)NC[C@]1(F)CCN(C(=O)[C@@H](F)n2ccnc2)C1
|
O=CCCccccCl)cF)c6))))))))NC[C@]F)CCNC=O)[C@@H]F)nccnc5)))))))C5
|
[O][=C][Branch1][P][C][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][N][C][C@][Branch1][C][F][C][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][Branch1][C][F][N][C][=C][N][=C][Ring1][Branch1][C][Ring1][#C]
|
c18ccc(Cl)c(F)c1.[C@@]17(F)CCN4C1.O=C3CC8.C4(=O)[C@H]6F.n16ccnc1.N35.C57
|
Cc1cccc(N)c1C(=O)N[C@H](C)CCNC(=O)[C@H]1CCC[C@@H](C)O1
|
CcccccN)c6C=O)N[C@H]C)CCNC=O)[C@H]CCC[C@@H]C)O6
|
[C][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][C@@H1][Branch1][C][C][O][Ring1][#Branch1]
|
Cc1cccc(N)c17.[C@H]16CCC[C@@H](C)O1.[C@@H]4(C)CC5.C27=O.C36=O.N24.N35
|
C=C1CC(CC(=O)N[C@@H]2CCN(C(=O)c3ccc(NC)c([N+](=O)[O-])c3)[C@@H](C)C2)C1
|
C=CCCCC=O)N[C@@H]CCNC=O)ccccNC))c[N+]=O)[O-]))c6)))))))[C@@H]C)C6)))))))))C4
|
[C][=C][C][C][Branch2][Ring2][=N][C][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][N][C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O][C@@H1][Branch1][C][C][C][Ring2][Ring1][Ring2][C][Ring2][Ring1][N]
|
c18ccc6c([N+](=O)[O-])c1.[C@@H]17CCN5[C@@H](C)C1.C=C1CC9C1.C9C4=O.C58=O.N47.N6C
|
CCc1[nH]c(C(=O)N2CCC3(C2)CN(C(=O)c2cc(C)cc(F)c2N)C3)nc1Cl
|
CCc[nH]cC=O)NCCCC5)CNC=O)cccC)ccF)c6N))))))))C4))))))))nc5Cl
|
[C][C][C][NH1][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][C][Ring1][S][=N][C][=Ring2][Ring1][#Branch2][Cl]
|
N14CCC2(C1)CN5C2.c17cc(C)cc(F)c1N.c18[nH]c6nc1Cl.C46=O.C57=O.CC8
|
CNC(=O)NCC(=O)N[C@H]1C[C@@H]2CN(C(=O)Cc3cc(C)cs3)C[C@@H]2C1
|
CNC=O)NCC=O)N[C@H]C[C@@H]CNC=O)CcccC)cs5)))))))C[C@@H]5C8
|
[C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@H1][C][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][C@@H1][Ring1][=C][C][Ring1][P]
|
[C@H]19C[C@@H]2CN7C[C@@H]2C1.c1%10cc(C)cs1.C8C6=O.C7(=O)C%10.C45=O.CN4.N58.N69
|
CNC(=O)CCN=C(NCc1nc(C)no1)N1C[C@@H]2[C@@H](CF)[C@@H]2C1
|
CNC=O)CCN=CNCcncC)no5)))))))NC[C@@H][C@@H]CF))[C@@H]3C6
|
[C][N][C][=Branch1][C][=O][C][C][N][=C][Branch1][=N][N][C][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][N][C][C@@H1][C@@H1][Branch1][Ring1][C][F][C@@H1][Ring1][Branch1][C][Ring1][Branch2]
|
C3(=O)CCN=C(N4)N1C[C@@H]2[C@@H]6[C@@H]2C1.c15nc(C)no1.CN3.C45.C6F
|
Cn1cc(CC(=O)N[C@H]2CCCC23CCN(C(=O)C2CC(F)C2)CC3)cn1
|
CnccCC=O)N[C@H]CCCC5CCNC=O)CCCF)C4)))))CC6)))))))))))))cn5
|
[C][N][C][=C][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C][Ring1][Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][Branch1][C][F][C][Ring1][Branch1][C][C][Ring1][=N][C][=N][Ring2][Ring1][#Branch2]
|
[C@H]16CCCC12CCN5CC2.Cn1cc8cn1.C17CC(F)C1.C8C4=O.C57=O.N46
|
N=c1[nH]nc(CC(=O)N2CCC[C@](CO)(NC(=O)C3=NN[C@@H](C(F)(F)F)C3)C2)s1
|
N=c[nH]ncCC=O)NCCC[C@]CO))NC=O)C=NN[C@@H]CF)F)F))C5)))))))C6))))))))s5
|
[N][=C][NH1][N][=C][Branch2][Ring2][N][C][C][=Branch1][C][=O][N][C][C][C][C@][Branch1][Ring1][C][O][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=N][N][C@@H1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=Branch2][C][Ring2][Ring1][Ring2][S][Ring2][Ring1][N]
|
N14CCC[C@@]69C1.C5(=O)C1=NN[C@@H]7C1.N=c1[nH]nc8s1.C8C4=O.C7(F)(F)F.C9O.N56
|
CC(=O)N[C@@H](C(=O)N[C@@H]1CCC[C@H]1NC(=O)c1ccc2nnn(O)c2c1)C(C)C
|
CC=O)N[C@@H]C=O)N[C@@H]CCC[C@H]5NC=O)ccccnnnO)c5c9))))))))))))))))))CC)C
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=N][N][Branch1][C][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][C][C]
|
c19ccc2nnn(O)c2c1.[C@H]6(C4=O)C(C)C.[C@@H]17CCC[C@H]18.CC3=O.C59=O.N36.N47.N58
|
C#CC[C@@H](C)C(=O)NC1CC2(C1)CN(C(=O)c1c(C)[nH]c3ccc(Cl)cc13)C2
|
C#CC[C@@H]C)C=O)NCCCC4)CNC=O)ccC)[nH]ccccCl)cc96))))))))))C4
|
[C][#C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][O][Ring1][#Branch1][C][Ring2][Ring1][C]
|
c17c(C)[nH]c2ccc(Cl)cc12.C16CC2(C1)CN5C2.C#CC[C@@H](C)C4=O.C57=O.N46
|
C#CCN1CCC(C(=O)N2C[C@@H]3C[C@@H](N=c4[nH]ncs4)[C@@H]3C2)CC1
|
C#CCNCCCC=O)NC[C@@H]C[C@@H]N=c[nH]ncs5))))))[C@@H]4C7))))))))CC6
|
[C][#C][C][N][C][C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C@@H1][C][C@@H1][Branch1][=Branch2][N][=C][NH1][N][=C][S][Ring1][Branch1][C@@H1][Ring1][#Branch2][C][Ring1][=N][C][C][Ring2][Ring1][Branch1]
|
N15C[C@@H]2C[C@@H](N=c3[nH]ncs3)[C@@H]2C1.N16CCC7CC1.C#CC6.C57=O
|
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)CC2CCOCC2)C1
|
C[C@H]ONC=O)OCC)C)C))))))C=O)NC[C@@H]C)[C@@H]NC=O)CCCCOCC6)))))))))C5
|
[C][C@H1][Branch1][S][O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][O][C][C][Ring1][=Branch1][C][Ring1][S]
|
N14C[C@@H](C)[C@@H]8C1.C19CCOCC1.C[C@H]6C4=O.O6NC3=O.C7(C)(C)C.C5(=O)C9.O37.N58
|
C[C@H]1CC[C@H](C(=O)NCC2(CN(C)C(=O)c3ccc4nnnn4c3)CC2)C1
|
C[C@H]CC[C@H]C=O)NCCCNC)C=O)ccccnnnn5c9))))))))))))CC3))))))C5
|
[C][C@H1][C][C][C@H1][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][#Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=N][N][=N][N][Ring1][Branch1][C][=Ring1][=Branch2][C][C][Ring1][P][C][Ring2][Ring1][#Branch2]
|
c1%10ccc2nnnn2c1.C[C@H]1CC[C@H]9C1.C1%11%12CC1.C59=O.N68C.C6%10=O.N57.C7%11.C8%12
|
Cc1cc(C(=O)NC2C[C@H]3CN(C(=O)c4c(Cl)c(C)nn4C)C[C@@H]3C2)cc(C)n1
|
CcccC=O)NCC[C@H]CNC=O)ccCl)cC)nn5C)))))))C[C@@H]5C8))))))))))ccC)n6
|
[C][C][=C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C@H1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][C][C@@H1][Ring1][#C][C][Ring2][Ring1][C][=C][C][Branch1][C][C][=N][Ring2][Ring1][N]
|
C17C[C@H]2CN6C[C@@H]2C1.Cc1cc9cc(C)n1.c18c(Cl)c(C)nn1C.C59=O.C68=O.N57
|
C[C@@H]1CN(C(=O)C2(CCN(C)C)CCCC2)C[C@H]1NC(=O)CCc1cccn1C
|
C[C@@H]CNC=O)CCCNC)C))))CCCC5))))))C[C@H]5NC=O)CCccccn5C
|
[C][C@@H1][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][C][C][C][Ring1][#Branch2][C][C@H1][Ring1][P][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][N][Ring1][Branch1][C]
|
C[C@@H]1CN3C[C@H]16.C179CCCC1.c18cccn1C.C4(=O)CC8.C37=O.C9C5.N5(C)C.N46
|
CN1CC[C@H]1C(=O)N(CCNC(=O)C1=CCOCC1)C1CCCCC1
|
CNCC[C@H]4C=O)NCCNC=O)C=CCOCC6))))))))))CCCCCC6
|
[C][N][C][C][C@H1][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][S][C][C][N][C][=Branch1][C][=O][C][=C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1]
|
C3(=O)C1=CCOCC1.C16CCCCC1.CN1CC[C@H]17.C27=O.N246.C4C5.N35
|
CCN1CCN(C(=O)C2=CCCN(C(=O)[C@H](CC3CCC3)OC)C2)C[C@@H]1C
|
CCNCCNC=O)C=CCCNC=O)[C@H]CCCCC4)))))OC))))C6)))))))C[C@@H]6C
|
[C][C][N][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C][=C][C][C][N][Branch1][P][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][O][C][C][Ring1][S][C][C@@H1][Ring2][Ring1][Branch2][C]
|
C4(=O)C1=CCCN5C1.N17CCN4C[C@@H]1C.C5(=O)[C@@H]6C8.C18CCC1.CC7.O6C
|
CCC(C)=C(C)C(=O)N1C[C@H](CC(=O)N(C)[C@H](C)CC2CC2)C[C@H]1C
|
CCCC)=CC)C=O)NC[C@H]CC=O)NC)[C@H]C)CCCC3))))))))C[C@H]5C
|
[C][C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch1][C][C][C][C][C][C][Ring1][Ring1][C][C@H1][Ring1][S][C]
|
N13C[C@H]7C[C@H]1C.C=6(C)C3=O.CCC=6C.C7C4=O.[C@@H]5(C)C8.N45C.C18CC1
|
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)cc2O)C1
|
C=CC)[C@@H]OCC[C@@H]5C=O)NC[C@@H]CCNC=O)ccccC)cc6O))))))))C5
|
[C][=C][Branch1][C][C][C@@H1][O][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C][Ring1][#C]
|
C=C(C)[C@@H]1OCC[C@@H]16.c17ccc(C)cc1O.[C@@H]18CCN4C1.C36=O.C47=O.N35.C58
|
CCC(CC)C(=O)NCC(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2OC)C[C@H]1C(F)F
|
CCCCC))C=O)NCC=O)N[C@@H]CNC=O)cn[nH]cc5OC))))))))C[C@H]5CF)F
|
[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][O][C][C][C@H1][Ring1][=C][C][Branch1][C][F][F]
|
CCC(CC)C3=O.[C@@H]18CN5C[C@H]1%10.c19n[nH]cc16.C7C4=O.C59=O.C%10(F)F.N37.N48.O6C
|
COc1ccc(C)cc1C(=O)N1C[C@H](F)C[C@H]1C(=O)NCCC#N
|
COccccC)cc6C=O)NC[C@H]F)C[C@H]5C=O)NCCC#N
|
[C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][F][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][#N]
|
c14ccc(C)cc17.N12C[C@H](F)C[C@H]16.C5CC#N.C27=O.C36=O.CO4.N35
|
C[C@@H]1CN([C@@H](C)CNS(=O)(=O)c2cccc3c2OC(C)(C)C3)C[C@H](C)O1
|
C[C@@H]CN[C@@H]C)CNS=O)=O)cccccc6OCC)C)C5)))))))))))))C[C@H]C)O6
|
[C][C@@H1][C][N][Branch2][Ring1][P][C@@H1][Branch1][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C@H1][Branch1][C][C][O][Ring2][Ring1][=Branch2]
|
S6(=O)(=O)c1cccc2c1OC(C)(C)C2.C[C@@H]1CN4C[C@H](C)O1.[C@H]4(C)C5.N56
|
CC(C)CCCC(=O)NC[C@@H](C)CN(C)C(=O)Cn1cc(N)cn1
|
CCC)CCCC=O)NC[C@@H]C)CNC)C=O)CnccN)cn5
|
[C][C][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][N][C][=N][Ring1][=Branch1]
|
CC(C)CCCC2=O.n16cc(N)cn1.C4[C@@H](C)C5.C3(=O)C6.N35C.N24
|
C[C@@H](NC1(c2nnnn2C2CCOCC2)CC2(CC(C)(C#N)C2)C1)c1cncs1
|
C[C@@H]NCcnnnn5CCCOCC6)))))))))))CCCCC)C#N))C4)))C4)))))ccncs5
|
[C][C@@H1][Branch2][Ring2][Branch2][N][C][Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][=N][C][C][Branch1][C][C][Branch1][Ring1][C][#N][C][Ring1][#Branch1][C][Ring2][Ring1][Branch1][C][=C][N][=C][S][Ring1][Branch1]
|
C147CC2(C1)CC(C)(C#N)C2.c17nnnn16.C16CCOCC1.c15cncs1.C[C@@H]35.N34
|
CC(C)[C@]1(C)C[C@@H]1C(=O)NCCCCN=c1nc2c(c[nH]1)CCCCC2
|
CCC)[C@]C)C[C@@H]3C=O)NCCCCN=cnccc[nH]6))CCCCC7
|
[C][C][Branch1][C][C][C@][Branch1][C][C][C][C@@H1][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][N][=C][N][=C][C][=Branch1][Branch1][=C][NH1][Ring1][=Branch1][C][C][C][C][C][Ring1][=Branch2]
|
C4CCCN=c1nc2c(c[nH]1)CCCCC2.[C@@]16(C)C[C@@H]15.CC6C.C35=O.N34
|
CC#CC[C@H](C)NC(=O)[C@H]1C=CCN(C(=O)C(C)(C)N=[N+]=[N-])C1
|
CC#CC[C@H]C)NC=O)[C@H]C=CCNC=O)CC)C)N=[N+]=[N-])))))C6
|
[C][C][#C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][=C][C][N][Branch1][#C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][=N+1][=N-1][C][Ring1][=C]
|
C3(=O)C(C)(C)N=[N+]=[N-].[C@H]15C=CCN3C1.CC#CC[C@@H]4C.C25=O.N24
|
C[C@@H](CC(=O)NCc1cc(O)nc(CNC(=O)Cn2ccccc2=O)n1)C1CC1
|
C[C@@H]CC=O)NCcccO)ncCNC=O)Cnccccc6=O)))))))))))n6))))))))))CCC3
|
[C][C@@H1][Branch2][Ring2][=Branch1][C][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][O][=N][C][Branch1][P][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O][=N][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1]
|
c18cc(O)nc9n1.n17ccccc1=O.C[C@H]%10CC3=O.C4(=O)C7.C1%10CC1.N35.C58.C69.N46
|
CN(CC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)c1cc(CC2CC2)on1)[C@@H]1CCSC1
|
CNCC=O)N[C@@H]CCOC[C@@H]6NC=O)cccCCCC3))))on5))))))))))))))))[C@@H]CCSC5
|
[C][N][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][C@@H1][C][C][O][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][O][N][=Ring1][=Branch2][C@@H1][C][C][S][C][Ring1][Branch1]
|
[C@@H]17CCOC[C@@H]18.c19cc%10on1.[C@@H]16CCSC1.C5C3=O.CN56.C49=O.C1%11CC1.N37.N48.C%10%11
|
CCCC(=CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnco1)CCC
|
CCCC=CC=O)NC[C@H]CC[C@@H]C7)N5C=O)Cccnco5))))))))))))))))CCC
|
[C][C][C][C][=Branch2][Ring1][S][=C][C][=Branch1][C][=O][N][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][N][=C][O][Ring1][Branch1][C][C][C]
|
N13C[C@H]2CC[C@@H](C1)N24.CCCC=5CCC.c16cnco1.C=5C3=O.C4(=O)C6
|
Cc1ccc(Cl)cc1C(=O)N[C@H](C)C1CN(C(=O)[C@@H](C)OC[C@H]2CCCO2)C1
|
CccccCl)cc6C=O)N[C@H]C)CCNC=O)[C@@H]C)OC[C@H]CCCO5)))))))))C4
|
[C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][O][C][C@H1][C][C][C][O][Ring1][Branch1][C][Ring1][#C]
|
Cc1ccc(Cl)cc18.C1%10CN4C1.C4(=O)[C@H]5C.[C@H]19CCCO1.C38=O.[C@H]7%10C.N37.O56.C69
|
CNC(=O)C[C@H]1CCN1C(=O)[C@@H]1CCCN1NC(=O)c1nc(C)sc1C
|
CNC=O)C[C@H]CCN4C=O)[C@@H]CCCN5NC=O)cncC)sc5C
|
[C][N][C][=Branch1][C][=O][C][C@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C]
|
[C@@H]14CCCN1NC5=O.c15nc(C)sc1C.[C@H]16CCN13.C2(=O)C6.C34=O.CN2
|
C[C@@H](NC(=O)c1ccc2[nH]ccc2c1)[C@@]1(O)CCN(C(=O)COCCN(C)C)C1
|
C[C@@H]NC=O)cccc[nH]ccc5c9)))))))))))[C@@]O)CCNC=O)COCCNC)C)))))))C5
|
[C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C@@][Branch1][C][O][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][O][C][C][N][Branch1][C][C][C][C][Ring1][#C]
|
c19ccc2[nH]ccc2c1.[C@]1%10(O)CCN4C1.C4(=O)C5.C[C@@H]7%10.C39=O.C6C8.N8(C)C.N37.O56
|
Cc1noc(C(C)C)c1NC(=O)[C@H]1C[C@@H](CNC(=O)[C@@H]2COC(=O)N2C)C1
|
CcnocCC)C))c5NC=O)[C@H]C[C@@H]CNC=O)[C@@H]COC=O)N5C)))))))))C4
|
[C][C][=N][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C@@H1][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][Ring1][#C]
|
Cc1noc9c16.[C@@H]17COC(=O)N1C.[C@H]18C[C@@H]%10C1.C9(C)C.C38=O.C47=O.N36.C5%10.N45
|
CN(CC1(O)CN(C(=O)c2cccc3c2ncn3C)C1)C(=O)CC[C@H]1CC1(F)F
|
CNCCO)CNC=O)cccccc6ncn5C)))))))))))C4)))))C=O)CC[C@H]CC3F)F
|
[C][N][Branch2][Ring1][S][C][C][Branch1][C][O][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][Ring1][P][C][=Branch1][C][=O][C][C][C@H1][C][C][Ring1][Ring1][Branch1][C][F][F]
|
c17cccc2c1ncn2C.C18(O)CN4C1.C5(=O)CC9.[C@H]19CC1(F)F.CN56.C47=O.C68
|
COc1cc(C)c(NCCS(=O)(=O)c2ccc(C#N)cc2)cc1C
|
COcccC)cNCCS=O)=O)ccccC#N))cc6))))))))))cc6C
|
[C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1][C]
|
C4CS(=O)(=O)c1ccc(C#N)cc1.c13cc(C)c5cc1C.CO3.N45
|
COc1nscc1C(=O)N1C[C@H](C(=O)N(C)C[C@H](O)C2CCC2)CC12CCC2
|
COcnscc5C=O)NC[C@H]C=O)NC)C[C@H]O)CCCC4))))))))CC5CCC4
|
[C][O][C][=N][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][Branch1][C][O][C][C][C][C][Ring1][Ring2][C][C][Ring1][S][C][C][C][Ring1][Ring2]
|
N13C[C@H]7CC12CCC2.c15nscc18.C6[C@@H]9O.C19CCC1.C38=O.C47=O.N46C.CO5
|
COc1ccc2nccc(C(=O)N3C[C@@H]4C[C@]4(NC(=O)[C@H]4CCC(=O)C4)C3)c2n1
|
COccccncccC=O)NC[C@@H]C[C@]3NC=O)[C@H]CCC=O)C5)))))))C6)))))))c6n%10
|
[C][O][C][=C][C][=C][N][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@@H1][C][C@][Ring1][Ring1][Branch1][S][N][C][=Branch1][C][=O][C@H1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch1][C][Ring1][#C][C][Ring2][Ring1][#Branch1][=N][Ring2][Ring1][O]
|
c17ccc2nccc%10c2n1.N15C[C@@H]2C[C@]28C1.[C@H]19CCC(=O)C1.C5%10=O.C69=O.CO7.N68
|
CN(C[C@H](O)CNC(=O)c1cc2ncccc2[nH]1)C(=O)[C@@H]1CC(C)(C)CO1
|
CNC[C@H]O)CNC=O)cccncccc6[nH]9))))))))))))))C=O)[C@@H]CCC)C)CO5
|
[C][N][Branch2][Ring1][=Branch2][C][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=Branch1][C][=O][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][#Branch1]
|
c18cc2ncccc2[nH]1.[C@@H]17CC(C)(C)CO1.C5[C@H](O)C6.CN45.C38=O.C47=O.N36
|
COc1ccc(Cl)cc1S(=O)(=O)Nc1ccsc1C(=O)Nc1ccc(Cl)c(C)c1
|
COccccCl)cc6S=O)=O)Ncccsc5C=O)NccccCl)cC)c6
|
[C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2]
|
c13ccc(Cl)cc1S4(=O)=O.c16ccc(Cl)c(C)c1.c15ccsc17.C27=O.CO3.N45.N26
|
Cc1nc(Cl)ccc1C(=O)N[C@H]1CC[C@H](CNC(=O)c2cscc2Cl)C1
|
CcncCl)ccc6C=O)N[C@H]CC[C@H]CNC=O)ccscc5Cl)))))))))C5
|
[C][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][S][C][=C][Ring1][Branch1][Cl][C][Ring1][#C]
|
Cc1nc(Cl)ccc17.[C@H]16CC[C@H]9C1.c18cscc1Cl.C37=O.C48=O.N36.C59.N45
|
Cc1cccc([C@H](F)C(=O)N[C@@H]2C[C@@H](CNC(=O)c3ccc(C)o3)C2(C)C)c1
|
Cccccc[C@H]F)C=O)N[C@@H]C[C@@H]CNC=O)ccccC)o5))))))))C4C)C))))))))c6
|
[C][C][=C][C][=C][C][Branch2][Ring2][=Branch1][C@H1][Branch1][C][F][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][Ring1][=C][Branch1][C][C][C][=C][Ring2][Ring1][O]
|
Cc1cccc%10c1.[C@@H]17C[C@@H]9C1(C)C.c18ccc(C)o1.[C@@H]%10(F)C4=O.C58=O.N47.C69.N56
|
CCC1(C(=O)NC[C@]2(O)CCCN(C(=O)C#CC(=O)O)C2)COC1
|
CCCC=O)NC[C@]O)CCCNC=O)C#CC=O)O)))))C6)))))))))COC4
|
[C][C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C@][Branch1][C][O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][#C][C][=Branch1][C][=O][O][C][Ring1][=C][C][O][C][Ring2][Ring1][=Branch1]
|
[C@@]18(O)CCCN4C1.C4(=O)C#CC(=O)O.C167COC1.C36=O.CC7.N35.C58
|
Cc1ccn(C)c(=O)c1NC(=O)CC1CCC(NC(=O)[C@@H](O)C(F)(F)F)CC1
|
CcccnC)c=O)c6NC=O)CCCCCNC=O)[C@@H]O)CF)F)F)))))CC6
|
[C][C][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#C]
|
Cc1ccn(C)c(=O)c14.C3(=O)[C@@H](O)C(F)(F)F.C16CCC5CC1.C2(=O)C6.N24.N35
|
CC(=O)N(C)[C@H](C)C(=O)NC[C@]1(C)CN(C(=O)C=Cc2ccccc2Cl)CCO1
|
CC=O)NC)[C@H]C)C=O)NC[C@]C)CNC=O)C=Ccccccc6Cl))))))))))CCO6
|
[C][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][O][Ring2][Ring1][C]
|
[C@@]19(C)CN5CCO1.C=8c1ccccc1Cl.[C@@H]6(C)C4=O.C5(=O)C=8.CC3=O.N36C.N47.C79
|
Cc1cc(C(=O)N[C@H]2CCCN(C(=O)c3cccc(C4CC4)c3C)C2)cnn1
|
CcccC=O)N[C@H]CCCNC=O)cccccCCC3)))c6C))))))))C6))))))))cnn6
|
[C][C][=C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][=Branch2][C][C][Ring2][Ring1][C][=C][N][=N][Ring2][Ring1][O]
|
c19cccc%10c1C.Cc1cc8cnn1.[C@H]17CCCN6C1.C58=O.C69=O.C1%10CC1.N57
|
CCNC(=O)CC(=O)N[C@H]1CCC[C@H](CN(C)C(=O)c2ccoc2Br)C1
|
CCNC=O)CC=O)N[C@H]CCC[C@H]CNC)C=O)cccoc5Br)))))))))C6
|
[C][C][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C@H1][Branch2][Ring1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][Br][C][Ring1][P]
|
[C@H]18CCC[C@H]%10C1.C3(=O)CC4=O.c19ccoc1Br.N57C.C59=O.CC6.N36.N48.C7%10
|
COc1cncc(C(=O)N2CC[C@@H](CNC(=O)[C@]3(C)CCC(=O)N3)C2(C)C)n1
|
COccnccC=O)NCC[C@@H]CNC=O)[C@]C)CCC=O)N5))))))))C5C)C)))))))n6
|
[C][O][C][=C][N][=C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring1][S][Branch1][C][C][C][=N][Ring2][Ring1][#Branch2]
|
N14CC[C@@H]%10C1(C)C.c16cncc9n1.[C@@]18(C)CCC(=O)N1.C49=O.C58=O.CO6.C7%10.N57
|
Cc1nc(C)c(C(=O)NCc2ccc(CN(C)C(=O)c3cc(O)ncn3)cc2)s1
|
CcncC)cC=O)NCccccCNC)C=O)cccO)ncn6)))))))))cc6)))))))))s5
|
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=N][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][C][S][Ring2][Ring1][N]
|
Cc1nc(C)c8s1.c1%10ccc%11cc1.c19cc(O)ncn1.C48=O.N57C.C59=O.N46.C6%10.C7%11
|
Cc1cc(C(F)(F)F)c(C(=O)N2CCNCCNCC2)c(O)n1
|
CcccCF)F)F))cC=O)NCCNCCNCC9))))))))))cO)n6
|
[C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][C][C][N][C][C][Ring1][=Branch2][C][Branch1][C][O][=N][Ring2][Ring1][=Branch1]
|
Cc1cc5c4c(O)n1.N13CCNCCNCC1.C5(F)(F)F.C34=O
|
CC(C)[C@@H](O)[C@@H](C)C(=O)NC[C@@H]1CCN1C(=O)C1(c2ccccc2)CC(F)(F)C1
|
CCC)[C@@H]O)[C@@H]C)C=O)NC[C@@H]CCN4C=O)Ccccccc6))))))CCF)F)C4
|
[C][C][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][N]
|
CC(C)[C@@H](O)[C@@H](C)C3=O.C168CC(F)(F)C1.c18ccccc1.[C@@H]17CCN14.C46=O.N35.C57
|
CC=CCCC(=O)N1CCC(OCCCNC(=O)[C@@H]2CC[C@H](OC)C2)CC1
|
CC=CCCC=O)NCCCOCCCNC=O)[C@@H]CC[C@H]OC))C5)))))))))))CC6
|
[C][C][=C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][O][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C@H1][Branch1][Ring1][O][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2]
|
N13CCC6CC1.C=%10CCC3=O.[C@@H]19CC[C@H]7C1.C5CC8.C49=O.CC=%10.O56.N48.O7C
|
CNc1ncccc1C(=O)N1CCOC[C@H](C(=O)N2CC(=O)NC[C@H]2C(=O)O)C1
|
CNcncccc6C=O)NCCOC[C@H]C=O)NCC=O)NC[C@H]6C=O)O)))))))))C7
|
[C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][Ring1]
|
N13CCOC[C@H]7C1.N14CC(=O)NC[C@H]16.c15ncccc18.C38=O.C47=O.C6(=O)O.CN5
|
CN(C(=O)c1cc(Cl)nnc1O)[C@H]1CCN(C(=O)c2ccnc(O)c2)CC12CC2
|
CNC=O)cccCl)nnc6O))))))))[C@H]CCNC=O)cccncO)c6)))))))CC6CC3
|
[C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=N][N][=C][Ring1][#Branch1][O][C@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][Ring1][#C][C][C][Ring1][Ring1]
|
[C@H]15CCN4CC12CC2.c16cc(Cl)nnc1O.c17ccnc(O)c1.CN35.C36=O.C47=O
|
O=C(N[C@H](CC(=O)N1[C@H]2CSC[C@H]1C2)C(F)F)[C@H](F)c1ccccc1
|
O=CN[C@H]CC=O)N[C@H]CSC[C@H]6C6)))))))))CF)F))))[C@H]F)cccccc6
|
[O][=C][Branch2][Ring1][#Branch2][N][C@H1][Branch1][P][C][C][=Branch1][C][=O][N][C@H1][C][S][C][C@H1][Ring1][=Branch1][C][Ring1][=Branch1][C][Branch1][C][F][F][C@H1][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
[C@@H]5(CC4=O)C(F)F.N14[C@H]2CSC[C@H]1C2.c16ccccc1.O=C3[C@@H]6F.N35
|
C#C[C@]1(C)CCCN(C(=O)CN(C(=O)c2ccc(CC)cn2)C2CCC2)C1
|
C#C[C@]C)CCCNC=O)CNC=O)ccccCC))cn6)))))))CCCC4)))))))C6
|
[C][#C][C@][Branch1][C][C][C][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][C][C][=N][Ring1][Branch2][C][C][C][C][Ring1][Ring2][C][Ring2][Ring1][=Branch2]
|
C#C[C@]1(C)CCCN3C1.c17ccc8cn1.C3(=O)C5.C16CCC1.N456.C47=O.C8C
|
C[C@@H](C(=O)N[C@@H]1CC[C@H](NC(=O)c2csc(S(C)(=O)=O)c2)C1)N(C)C
|
C[C@@H]C=O)N[C@@H]CC[C@H]NC=O)ccscSC)=O)=O))c5)))))))C5)))))))NC)C
|
[C][C@@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][=Branch2][C][Ring1][P][N][Branch1][C][C][C]
|
c18csc(S(C)(=O)=O)c1.[C@@H]16CC[C@H]7C1.C[C@H]5C3=O.C48=O.N5(C)C.N36.N47
|
CC(C)C[C@H](C(N)=O)C(=O)NCCCCCN1CCN(C(=O)CC2CC2)CC1
|
CCC)C[C@H]CN)=O))C=O)NCCCCCNCCNC=O)CCCC3)))))CC6
|
[C][C][Branch1][C][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][C][C][C][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring1][C][C][Ring1][N]
|
CC(C)C[C@@H](C3=O)C(N)=O.N16CCN4CC1.C5CCCC6.C4(=O)C7.C17CC1.N35
|
CN(C(=O)C12CC(C)(CN1C(=O)[C@H]1CCC(F)(F)C1)C2)[C@@H]1CCC1(C)C
|
CNC=O)CCCC)CN5C=O)[C@H]CCCF)F)C5))))))))C4)))))[C@@H]CCC4C)C
|
[C][N][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch2][Ring1][=Branch1][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][C][Ring1][S][C@@H1][C][C][C][Ring1][Ring2][Branch1][C][C][C]
|
C126CC(C)(CN14)C2.[C@H]17CCC(F)(F)C1.[C@@H]15CCC1(C)C.CN35.C36=O.C47=O
|
COc1cc(C(=O)N[C@@H]2COCCN(C(=O)c3c(Cl)ccc(Br)c3Cl)C2)nn1C
|
COcccC=O)N[C@@H]COCCNC=O)ccCl)cccBr)c6Cl))))))))C7)))))))))nn5C
|
[C][O][C][=C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][O][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Br][=C][Ring1][Branch2][Cl][C][Ring2][Ring1][C][=N][N][Ring2][Ring1][#Branch2][C]
|
c19c(Cl)ccc(Br)c1Cl.[C@@H]17COCCN5C1.c16cc8nn1C.C48=O.C59=O.CO6.N47
|
N#C[C@H]1C[C@H]1C(=O)N1CCOC2(CN(C(=O)CCc3ccsc3Cl)C2)C1
|
N#C[C@H]C[C@H]3C=O)NCCOCCNC=O)CCcccsc5Cl)))))))))C4)))C6
|
[N][#C][C@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][O][C][Branch2][Ring1][=Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][C][=C][S][C][=Ring1][Branch1][Cl][C][Ring1][=C][C][Ring2][Ring1][Ring1]
|
N14CCOC2(C1)CN5C2.c17ccsc1Cl.N#C[C@H]1C[C@H]16.C5(=O)CC7.C46=O
|
[N-]=[N+]=NCCCCCC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCC(N=[N+]=[N-])CC1
|
[N-]=[N+]=NCCCCCC=O)NCC[C@H][C@@H]C6)[C@@H]3C=O)NCCCN=[N+]=[N-])))CC6
|
[N-1][=N+1][=N][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C@H1][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C@@H1][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][N][=N+1][=N-1][C][C][Ring1][=Branch2]
|
[N-]=[N+]=NCCCCCC3=O.N14CCC(N=[N+]=[N-])CC1.N13CC[C@@H]2[C@@H]5[C@@H]2C1.C45=O
|
C#Cc1cccc([C@H](C(=O)NCc2cccs2)N2CC[C@H]3CCNC(=O)[C@H]32)n1
|
C#Cccccc[C@H]C=O)NCccccs5))))))))NCC[C@H]CCNC=O)[C@H]69))))))))))n6
|
[C][#C][C][=C][C][=C][C][Branch2][Ring1][P][C@H1][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C@H1][C][C][N][C][=Branch1][C][=O][C@H1][Ring1][#Branch1][Ring1][#Branch2][=N][Ring2][Ring1][#Branch2]
|
N15CC[C@H]2CCNC(=O)[C@H]21.C#Cc1cccc7n1.[C@@H]57C4=O.c18cccs1.N46.C68
|
N#Cc1csc(C(=O)NC[C@@H]2CC[C@H]2NC(=O)c2ccc(Cl)s2)c1
|
N#CccscC=O)NC[C@@H]CC[C@H]4NC=O)ccccCl)s5))))))))))))))c5
|
[N][#C][C][=C][S][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1]
|
N#Cc1csc7c1.c18ccc(Cl)s1.[C@@H]19CC[C@H]16.C37=O.C48=O.N35.C59.N46
|
Cn1cc(N[C@@H](c2nnnn2C(C)(C)C)C(C)(C)[C@@H]2CCCCO2)cc(Cl)c1=O
|
CnccN[C@@H]cnnnn5CC)C)C)))))))CC)C)[C@@H]CCCCO6)))))))))ccCl)c6=O
|
[C][N][C][=C][Branch2][Ring2][Ring1][N][C@@H1][Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C@@H1][C][C][C][C][O][Ring1][=Branch1][C][=C][Branch1][C][Cl][C][Ring2][Ring1][O][=O]
|
Cn1cc4cc(Cl)c1=O.[C@H]37C6(C)C.c17nnnn15.[C@@H]16CCCCO1.C5(C)(C)C.N34
|
CN(C(=O)c1cnn(C(C)(C)C)c1)[C@@H]1CN(C(=O)C(C)(C)c2ccno2)C[C@@H]1F
|
CNC=O)ccnnCC)C)C))c5))))))[C@@H]CNC=O)CC)C)cccno5)))))))C[C@@H]5F
|
[C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][=Branch2][C@@H1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=N][O][Ring1][Branch1][C][C@@H1][Ring1][#C][F]
|
[C@@H]15CN4C[C@@H]1F.c16cnn7c1.C4(=O)C8(C)C.c18ccno1.C7(C)(C)C.CN35.C36=O
|
CN(Cc1cnccc1Cl)CC1(N)CC2(CCCCC2)C1
|
CNCccnccc6Cl))))))))CCN)CCCCCCC6)))))C4
|
[C][N][Branch1][O][C][C][=C][N][=C][C][=C][Ring1][=Branch1][Cl][C][C][Branch1][C][N][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2]
|
C15(N)CC2(CCCCC2)C1.c16cnccc1Cl.CN34.C36.C45
|
C[C@@H]1C[C@H](NC(=O)c2cnc(S)n2-c2ccccc2)CN1C(=O)c1csnn1
|
C[C@@H]C[C@H]NC=O)ccncS)n5-cccccc6)))))))))))))CN5C=O)ccsnn5
|
[C][C@@H1][C][C@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][S][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][S][N][=N][Ring1][Branch1]
|
C[C@@H]1C[C@H]5CN14.c16cnc(S)n18.c18ccccc1.c17csnn1.C36=O.C47=O.N35
|
CCOCC(=O)N[C@H](CC(=O)NC[C@@H]1CC1(Cl)Cl)[C@@H](C)CC
|
CCOCC=O)N[C@H]CC=O)NC[C@@H]CC3Cl)Cl))))))))[C@@H]C)CC
|
[C][C][O][C][C][=Branch1][C][=O][N][C@H1][Branch1][P][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][C@@H1][Branch1][C][C][C][C]
|
[C@@H]6(CC3=O)[C@@H](C)CC.[C@@H]18CC1(Cl)Cl.C5C2=O.CC4.O45.N26.N37.C78
|
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