SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
CCCC=CC(=O)N[C@H]1C[C@H](O)CN(C(=O)[C@@H]2CC2(Cl)Cl)C1
|
CCCC=CC=O)N[C@H]C[C@H]O)CNC=O)[C@@H]CC3Cl)Cl)))))C6
|
[C][C][C][C][=C][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch1][C][O][C][N][Branch1][=C][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][C][Ring1][=C]
|
[C@H]15C[C@H](O)CN4C1.[C@@H]16CC1(Cl)Cl.CCCC=7.C=7C3=O.C46=O.N35
|
CC1CC(C)(C(=O)N(C)C[C@@H](O)CN(C)C(=O)c2n[nH]cc2C(F)(F)F)C1
|
CCCCC)C=O)NC)C[C@@H]O)CNC)C=O)cn[nH]cc5CF)F)F))))))))))))))C4
|
[C][C][C][C][Branch1][C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][Branch1][C][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][#Branch2]
|
CC1CC8(C)C1.c17n[nH]cc19.C5[C@@H](O)C6.C9(F)(F)F.C38=O.N35C.N46C.C47=O
|
CC[C@@H](CNC(=O)C1CC(OC2CC2)C1)N(C)C(=O)c1scc(C)c1C
|
CC[C@@H]CNC=O)CCCOCCC3))))C4)))))))NC)C=O)csccC)c5C
|
[C][C][C@@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][C][Branch1][#Branch1][O][C][C][C][Ring1][Ring1][C][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=C][Branch1][C][C][C][=Ring1][=Branch1][C]
|
c19scc(C)c1C.CC[C@H]7C8.C1%10CC5C1.C3%10=O.C16CC1.N47C.C49=O.N38.O56
|
C[C@@H]1CN(C(=O)C2CC3(CC(O)C3)C2)C[C@@H]1NC(=O)CN1[C@@H](C)CC[C@@H]1C
|
C[C@@H]CNC=O)CCCCCO)C4)))C4)))))C[C@@H]5NC=O)CN[C@@H]C)CC[C@@H]5C
|
[C][C@@H1][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][Branch1][=Branch2][C][C][Branch1][C][O][C][Ring1][Branch1][C][Ring1][Branch2][C][C@@H1][Ring1][#C][N][C][=Branch1][C][=O][C][N][C@@H1][Branch1][C][C][C][C][C@@H1][Ring1][=Branch1][C]
|
C18CC2(C1)CC(O)C2.C[C@@H]1CN4C[C@@H]17.N16[C@@H](C)CC[C@@H]1C.C5(=O)C6.C48=O.N57
|
Cc1cc(O)c(C(=O)NCCN2CCCCCCC2)cc1F
|
CcccO)cC=O)NCCNCCCCCCC8))))))))))))cc6F
|
[C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][C][C][C][C][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2][F]
|
Cc1cc(O)c6cc1F.N15CCCCCCC1.C36=O.C4C5.N34
|
C#CCC1(C(=O)N2CC(O)(CNC(=O)[C@@H](C)[C@@H](C)c3ccc(F)cc3)C2)CC1
|
C#CCCC=O)NCCO)CNC=O)[C@@H]C)[C@@H]C)ccccF)cc6)))))))))))C4)))))CC3
|
[C][#C][C][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C@@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][=Branch2]
|
C5(=O)[C@@H](C)[C@H]%10C.c1%10ccc(F)cc1.N14CC9(O)C1.C178CC1.C#CC8.C47=O.C69.N56
|
Cc1cc(C(=O)N2CC(CNC(=O)[C@](C)(O)C3CCC3)C2)cnc1F
|
CcccC=O)NCCCNC=O)[C@]C)O)CCCC4))))))))C4)))))cnc6F
|
[C][C][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@][Branch1][C][C][Branch1][C][O][C][C][C][C][Ring1][Ring2][C][Ring1][#C][=C][N][=C][Ring2][Ring1][#Branch1][F]
|
Cc1cc7cnc1F.C5(=O)[C@]9(C)O.N14CC8C1.C19CCC1.C47=O.C68.N56
|
C[C@H](CC1CN(C(=O)Cc2cncc(Br)c2)C1)NC(=O)[C@]1(CO)CCCO1
|
C[C@H]CCCNC=O)CccnccBr)c6))))))))C4)))))NC=O)[C@]CO))CCCO5
|
[C][C@H1][Branch2][Ring1][#Branch2][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][Ring1][=C][N][C][=Branch1][C][=O][C@][Branch1][Ring1][C][O][C][C][C][O][Ring1][#Branch1]
|
c19cncc(Br)c1.[C@@]167CCCO1.C18CN3C1.C[C@@H]5C8.C3(=O)C9.C46=O.N45.C7O
|
CCN(CCNC(=O)c1cc2c(C)cc(C)nc2s1)C(=O)C(C)(C)SC
|
CCNCCNC=O)ccccC)ccC)nc6s9)))))))))))))C=O)CC)C)SC
|
[C][C][N][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][S][Ring1][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][S][C]
|
c19cc2c(C)cc(C)nc2s1.C4(=O)C8(C)C.N456.C6C7.C39=O.CC5.N37.S8C
|
COCC[C@H](CNC(=O)[C@@H](OC)C(C)(C)C)NC(=O)CCCn1nc(C)nc1C
|
COCC[C@H]CNC=O)[C@@H]OC))CC)C)C))))))NC=O)CCCnncC)nc5C
|
[C][O][C][C][C@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@@H1][Branch1][Ring1][O][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][N][N][=C][Branch1][C][C][N][=C][Ring1][=Branch1][C]
|
C2(=O)[C@@H]5C(C)(C)C.n18nc(C)nc1C.C4C[C@@H]6C7.C3(=O)CCC8.CO4.N27.O5C.N36
|
CN(CCCO)S(=O)(=O)c1ccc(C#N)c(NCc2cccc3c2OCCO3)c1
|
CNCCCO))))S=O)=O)ccccC#N))cNCcccccc6OCCO6))))))))))))c6
|
[C][N][Branch1][Branch1][C][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][P][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Ring2]
|
S6(=O)(=O)c1ccc(C#N)c7c1.c18cccc2c1OCCO2.C4CCO.CN46.N57.C58
|
CNC(=O)N1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)[C@@]12C[C@@H]3C[C@@H]1[C@@H](C3)C(=O)N2
|
CNC=O)NCCC[C@@H]5C=O)NC/C=C\CNC=O)[C@@]C[C@@H]C[C@@H]5[C@@H]C5)C=O)N8
|
[C][N][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][/C][=C][\C][N][C][=Branch1][C][=O][C@@][C][C@@H1][C][C@@H1][Ring1][Branch1][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2]
|
[C@@]12%11C[C@@H]3C[C@@H]1[C@@H](C3)C(=O)N2.N15CCC[C@@H]1%10.C45=O.C6%10=O.C8C=%12.C=%12C9.C7%11=O.CN4.N68.N79
|
CN(C)C[C@@H](O)C(=O)NC[C@H]1CCN(C(=O)c2cnc3cccnc3c2)C1(C)C
|
CNC)C[C@@H]O)C=O)NC[C@H]CCNC=O)ccnccccnc6c%10)))))))))))C5C)C
|
[C][N][Branch1][C][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring1][P][Branch1][C][C][C]
|
c18cnc2cccnc2c1.[C@H]19CCN5C1(C)C.C6[C@@H](O)C4=O.CN6C.C58=O.N47.C79
|
CN(C)C(=O)C#CC(=O)N[C@@H]1C[C@H]2C[C@@H]1CN(C(=O)CSc1nncs1)C2
|
CNC)C=O)C#CC=O)N[C@@H]C[C@H]C[C@@H]5CNC=O)CScnncs5))))))))C6
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][#C][C][=Branch1][C][=O][N][C@@H1][C][C@H1][C][C@@H1][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C][S][C][=N][N][=C][S][Ring1][Branch1][C][Ring1][#C]
|
[C@@H]17C[C@H]2C[C@@H]1CN5C2.C3(=O)C#CC4=O.c18nncs1.C5(=O)C6.CN3C.N47.S68
|
Cc1nc(CCC(=O)NC[C@]2(O)CCN(C(=O)CCc3cnn(C)n3)C2)cs1
|
CcncCCC=O)NC[C@]O)CCNC=O)CCccnnC)n5))))))))C5))))))))))cs5
|
[C][C][=N][C][Branch2][Ring2][Branch1][C][C][C][=Branch1][C][=O][N][C][C@][Branch1][C][O][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][C][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][Ring1][S][=C][S][Ring2][Ring1][O]
|
[C@@]19(O)CCN5C1.Cc1nc7cs1.c18cnn(C)n1.C7CC4=O.C5(=O)CC8.N46.C69
|
CC[C@H](C)C(=O)C(=O)N1CC[C@@H](Cn2cc([C@@H](C3CC3)N(C)C)nn2)C(F)(F)C1
|
CC[C@H]C)C=O)C=O)NCC[C@@H]Cncc[C@@H]CCC3)))NC)C)))nn5))))))CF)F)C6
|
[C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][Branch2][C][N][C][=C][Branch1][=C][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch1][C][C][C][N][=N][Ring1][N][C][Branch1][C][F][Branch1][C][F][C][Ring2][Ring1][Branch1]
|
N14CC[C@@H]8C(F)(F)C1.CC[C@H](C)C(=O)C4=O.n16cc7nn1.[C@H]579.C19CC1.N5(C)C.C68
|
O=C(Cn1ccc2cc(F)ccc21)NCC[C@H]1C[C@H](NC(=O)C=CBr)C1
|
O=CCncccccF)ccc69))))))))))NCC[C@H]C[C@H]NC=O)C=CBr)))))C4
|
[O][=C][Branch2][Ring1][C][C][N][C][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][N][C][C][C@H1][C][C@H1][Branch1][=Branch2][N][C][=Branch1][C][=O][C][=C][Br][C][Ring1][#Branch2]
|
n17ccc2cc(F)ccc21.[C@H]18C[C@H]6C1.C4(=O)C=CBr.O=C3C7.C5C8.N35.N46
|
C#Cc1ccc(CNC(=O)[C@@H]2CCN(C(=O)C#CC3CCCC3)O2)cc1
|
C#CccccCNC=O)[C@@H]CCNC=O)C#CCCCCC5))))))))O5))))))))cc6
|
[C][#C][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C@@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][#C][C][C][C][C][C][Ring1][Branch1][O][Ring1][=C][C][=C][Ring2][Ring1][Branch2]
|
[C@@H]16CCN(C(=O)C#CC2CCCC2)O1.C#Cc1ccc7cc1.C46=O.C57.N45
|
CC[C@](C)(CNC(=O)c1c(Cl)cncc1Cl)NC(=O)c1ncccc1O
|
CC[C@]C)CNC=O)ccCl)cncc6Cl))))))))))NC=O)cncccc6O
|
[C][C][C@][Branch1][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O]
|
c17c(Cl)cncc1Cl.c16ncccc1O.CC[C@]4(C)C5.C27=O.C36=O.N25.N34
|
CCCCS[C@@H](C)C(=O)NCC1(COC)CN(C(=O)c2ccc(F)c(O)c2)C1
|
CCCCS[C@@H]C)C=O)NCCCOC)))CNC=O)ccccF)cO)c6)))))))C4
|
[C][C][C][C][S][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][Ring2][C][O][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][P]
|
c19ccc(F)c(O)c1.C1%10%11CN4C1.[C@H]8(C)C3=O.CCCC7.C49=O.S78.N36.C6%10.C5%11.O5C
|
CN(C(=O)CCc1ccsc1)[C@H]1CCCN(C(=O)c2cc3ccnc(Cl)c3s2)C1
|
CNC=O)CCcccsc5))))))))[C@H]CCCNC=O)cccccncCl)c6s9))))))))))C6
|
[C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][=C][S][C][=Ring1][Branch1][C@H1][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][Ring2][Ring1][C]
|
c17cc2ccnc(Cl)c2s1.[C@H]16CCCN5C1.C4(=O)CC8.c18ccsc1.CN46.C57=O
|
CC(C)c1nccc(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC(=O)N(O)C3)C2)n1
|
CCC)cncccC=O)NC[C@H]C[C@@H]NC=O)[C@@H]CC=O)NO)C5)))))))C4)))))))n6
|
[C][C][Branch1][C][C][C][=N][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][C][C][=Branch1][C][=O][N][Branch1][C][O][C][Ring1][#Branch1][C][Ring1][=C][=N][Ring2][Ring1][Branch2]
|
c1%10nccc8n1.[C@@H]19CC(=O)N(O)C1.[C@H]1%11C[C@@H]7C1.CC%10C.C48=O.C59=O.N46.C6%11.N57
|
O=C(NC[C@@H](O)C1CC1)[C@@H]1[C@H](O)CCN1C(=O)C#CC1CCC1
|
O=CNC[C@@H]O)CCC3))))))[C@@H][C@H]O)CCN5C=O)C#CCCCC4
|
[O][=C][Branch1][N][N][C][C@@H1][Branch1][C][O][C][C][C][Ring1][Ring1][C@@H1][C@H1][Branch1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][#C][C][C][C][C][Ring1][Ring2]
|
C3(=O)C#CC1CCC1.[C@@H]15[C@H](O)CCN13.C4[C@H]6O.O=C25.C16CC1.N24
|
CCCn1cc(CNC(=O)N(Cc2ccccc2)C[C@@H](CO)C2CCC2)c(C)n1
|
CCCnccCNC=O)NCcccccc6)))))))C[C@@H]CO))CCCC4))))))))))cC)n5
|
[C][C][C][N][C][=C][Branch2][Ring1][#C][C][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Branch1][Ring1][C][O][C][C][C][C][Ring1][Ring2][C][Branch1][C][C][=N][Ring2][Ring1][#Branch2]
|
n18cc%10c(C)n1.c1%11ccccc1.C7[C@H]9CO.C19CCC1.CCC8.C34=O.N467.C5%10.N35.C6%11
|
C=CCCO[C@@H](C)C(=O)N[C@H]1C=CCN(C(=O)[C@H](CC)N(C)C)C1
|
C=CCCO[C@@H]C)C=O)N[C@H]C=CCNC=O)[C@H]CC))NC)C))))C6
|
[C][=C][C][C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][=C][C][N][Branch1][#C][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][C][N][Branch1][C][C][C][C][Ring1][=C]
|
[C@H]17C=CCN3C1.C3(=O)[C@@H]6CC.[C@H]5(C)C2=O.C=CCC4.N6(C)C.O45.N27
|
CN1CCN(c2ncc(Br)cn2)[C@@H](CNC(=O)C[C@@H]2CCC(=O)N2C)C1
|
CNCCNcnccBr)cn6))))))[C@@H]CNC=O)C[C@@H]CCC=O)N5C))))))))))C6
|
[C][N][C][C][N][Branch1][N][C][=N][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C@@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2]
|
CN1CCN5[C@@H]6C1.c15ncc(Br)cn1.[C@@H]17CCC(=O)N1C.C3(=O)C7.C46.N34
|
COC1CCN([C@@H]2CCN(c3nccc(=NC4C[C@@H]5[C@@H](C4)C5(F)F)[nH]3)C2)CC1
|
COCCCN[C@@H]CCNcnccc=NCC[C@@H][C@@H]C5)C3F)F)))))))[nH]6))))))C5)))))CC6
|
[C][O][C][C][C][N][Branch2][Ring2][Branch2][C@@H1][C][C][N][Branch2][Ring1][=N][C][=N][C][=C][C][=Branch2][Ring1][C][=N][C][C][C@@H1][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][Ring2][Branch1][C][F][F][NH1][Ring1][#C][C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][#Branch2]
|
c17nccc(=NC2C[C@@H]3[C@@H](C2)C3(F)F)[nH]1.C16CCN8CC1.[C@@H]18CCN7C1.CO6
|
Cc1cc(CCC(=O)NC2CN(C(=O)CCCOc3ccccc3C)C2)c(C)s1
|
CcccCCC=O)NCCNC=O)CCCOcccccc6C))))))))))))C4))))))))cC)s5
|
[C][C][=C][C][Branch2][Ring2][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P][=C][Branch1][C][C][S][Ring2][Ring1][N]
|
Cc1cc9c(C)s1.c17ccccc1C.C5(=O)CCC6.C9CC4=O.C18CN5C1.N48.O67
|
Cc1c(C(=O)N2CCC[C@@H]2C(=O)N2C[C@@H]3C[C@H]2CN3C(C)C)cnn1C
|
CccC=O)NCCC[C@@H]5C=O)NC[C@@H]C[C@H]5CN5CC)C))))))))))))))))cnn5C
|
[C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Ring1][Branch1][C][N][Ring1][Branch1][C][Branch1][C][C][C][C][=N][N][Ring2][Ring1][Branch2][C]
|
N15C[C@@H]2C[C@H]1CN26.Cc1c8cnn1C.N14CCC[C@@H]17.C48=O.C57=O.C6(C)C
|
COc1ccc2c(C(=O)N[C@@H]3C[C@H]3NC(=O)Cc3nncn3C)c[nH]c2c1
|
COcccccC=O)N[C@@H]C[C@H]3NC=O)Ccnncn5C))))))))))))))c[nH]c5c9
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C@@H1][C][C@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=N][N][=C][N][Ring1][Branch1][C][=C][NH1][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2]
|
c16ccc2c9c[nH]c2c1.c1%10nncn1C.[C@@H]17C[C@H]18.C5(=O)C%10.C49=O.CO6.N47.N58
|
Cc1cc(C(=O)NC2[C@@H]3CCN(C(=O)CSCCC(C)C)CC[C@@H]23)[nH]c1C
|
CcccC=O)NC[C@@H]CCNC=O)CSCCCC)C)))))))CC[C@@H]87))))))))))[nH]c5C
|
[C][C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][S][C][C][C][Branch1][C][C][C][C][C][C@@H1][Ring1][P][Ring1][S][NH1][C][=Ring2][Ring1][=Branch2][C]
|
C18[C@@H]2CCN5CC[C@@H]12.Cc1cc9[nH]c1C.C7CC(C)C.C5(=O)C6.C49=O.N48.S67
|
COCCC[C@@H](C)C(=O)N[C@@H]1C[C@@H]1CNC(=O)c1cc(-c2csc(CO)n2)c[nH]1
|
COCCC[C@@H]C)C=O)N[C@@H]C[C@@H]3CNC=O)ccc-ccscCO))n5)))))c[nH]5
|
[C][O][C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][N][C][=C][S][C][Branch1][Ring1][C][O][=N][Ring1][#Branch1][=C][NH1][Ring1][N]
|
C5CC[C@@H](C)C3=O.c18cc%11c[nH]1.c1%11csc9n1.[C@@H]17C[C@@H]1%10.C48=O.CO5.N37.C6%10.N46.C9O
|
CC[C@@](C)(C(N)=O)C(=O)N1CC[C@H](OCCNC(=O)C(C)(C)c2cscn2)C1
|
CC[C@@]C)CN)=O))C=O)NCC[C@H]OCCNC=O)CC)C)ccscn5)))))))))))C5
|
[C][C][C@@][Branch1][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][#Branch1][O][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][S][C][=N][Ring1][Branch1][C][Ring2][Ring1][Ring1]
|
CC[C@](C)(C3=O)C(N)=O.N13CC[C@H]6C1.C4(=O)C8(C)C.c18cscn1.C5C7.O56.N47
|
CC(C)=C(C)C(=O)N1C[C@H](C)CN(C(=O)C2CCN(C(=O)N(C)C)CC2)[C@@H](C)C1
|
CCC)=CC)C=O)NC[C@H]C)CNC=O)CCCNC=O)NC)C)))CC6)))))))[C@@H]C)C7
|
[C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][C@@H1][Branch1][C][C][C][Ring2][Ring1][=Branch1]
|
N13C[C@H](C)CN4[C@@H](C)C1.C17CCN5CC1.C=8(C)C3=O.CC=8C.C47=O.C56=O.N6(C)C
|
CC(=O)c1ccc(C(=O)N2C[C@H]3C(CNC(=O)C=C(C)c4ccsc4)[C@@H]3C2)nc1
|
CC=O)ccccC=O)NC[C@H]CCNC=O)C=CC)cccsc5))))))))))[C@@H]3C6)))))))nc6
|
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C@H1][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][C][=C][S][C][=Ring1][Branch1][C@@H1][Ring1][#C][C][Ring2][Ring1][C][N][=C][Ring2][Ring1][#Branch2]
|
c19ccc8nc1.N15C[C@H]2C%11[C@@H]2C1.C=%10(C)c1ccsc1.C6(=O)C=%10.CC9=O.C58=O.C7%11.N67
|
O=C(N[C@H](CO)C1CCC1)[C@H]1CCCCN1C(=O)CN1C(=O)CCCC1=O
|
O=CN[C@H]CO))CCCC4))))))[C@H]CCCCN6C=O)CNC=O)CCCC6=O
|
[O][=C][Branch1][=N][N][C@H1][Branch1][Ring1][C][O][C][C][C][C][Ring1][Ring2][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][=O]
|
N16C(=O)CCCC1=O.[C@H]15CCCCN13.[C@H]47CO.C17CCC1.C3(=O)C6.O=C25.N24
|
C[C@@H]1N(C(=O)CC2(NC(=O)c3ccn(C4CC4)n3)CC2)CCCC1(C)C
|
C[C@@H]NC=O)CCNC=O)cccnCCC3)))n5)))))))CC3)))))CCCC6C)C
|
[C][C@@H1][N][Branch2][Ring1][P][C][=Branch1][C][=O][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=Ring1][Branch2][C][C][Ring1][=C][C][C][C][C][Ring2][Ring1][#Branch1][Branch1][C][C][C]
|
C[C@@H]1N5CCCC1(C)C.c18ccn%10n1.C5(=O)C9.C179CC1.C68=O.C1%10CC1.N67
|
C[C@@H]1CNc2ccc(C(=O)NC[C@@H]3CN(C(=O)c4coc(CO)c4)CCO3)cc21
|
C[C@@H]CNccccC=O)NC[C@@H]CNC=O)ccocCO))c5))))))CCO6)))))))))cc69
|
[C][C@@H1][C][N][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][O][C][Branch1][Ring1][C][O][=C][Ring1][#Branch1][C][C][O][Ring1][#C][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][N]
|
C[C@@H]1CNc2ccc8cc21.[C@@H]1%10CN6CCO1.c19coc%11c1.C58=O.C69=O.N57.C7%10.C%11O
|
CC(C)COCCC(=O)NCCCCCC(=O)Nc1cncc(C#N)c1
|
CCC)COCCC=O)NCCCCCC=O)NccnccC#N))c6
|
[C][C][Branch1][C][C][C][O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2]
|
C6CCCCC3=O.c17cncc(C#N)c1.C5CC2=O.CC(C)C4.O45.N26.N37
|
Cc1ccc(C(=O)N[C@H]2COCC[C@H]2NC(=O)Cn2ccnc2C)cc1
|
CccccC=O)N[C@H]COCC[C@H]6NC=O)Cnccnc5C)))))))))))))))))cc6
|
[C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C@H1][C][O][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][Ring2][Ring1][=Branch2]
|
Cc1ccc7cc1.[C@H]15COCC[C@H]16.n18ccnc1C.C4(=O)C8.C37=O.N35.N46
|
C=C[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@](F)(CNC(=O)CCCOc2cccc(F)c2)C1
|
C=C[C@H]C[C@H]3C=O)NC[C@H]C[C@]F)CNC=O)CCCOcccccF)c6)))))))))))))C4
|
[C][=C][C@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C@H1][C][C@][Branch1][C][F][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring2]
|
c16cccc(F)c1.[C@H]1%10C[C@@]%11(F)C1.C4(=O)CCC5.C=C[C@H]1C[C@H]19.C39=O.N37.C7%10.C8%11.N48.O56
|
Cn1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H]3CCCC(C)(C)O3)C2)ccc1=O
|
CnccC=O)NCC[C@]O)CNC=O)[C@@H]CCCCC)C)O6)))))))))C5))))))ccc6=O
|
[C][N][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][O][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2][C][Ring2][Ring1][C][C][=C][C][Ring2][Ring1][#Branch2][=O]
|
Cn1cc8ccc1=O.[C@@H]17CCCC(C)(C)O1.N14CC[C@@]9(O)C1.C48=O.C57=O.C69.N56
|
CO[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC(C)(C)OC2)N(C(=O)CN2CCCCC2)C1
|
CO[C@H]C[C@@H]CNC=O)[C@@H]CCCC)C)OC6)))))))))NC=O)CNCCCCC6))))))))C5
|
[C][O][C@H1][C][C@@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][Branch2][N][Branch1][=C][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][#Branch2]
|
[C@@H]18CCC(C)(C)OC1.[C@H]15C[C@@H]9N4C1.N17CCCCC1.C4(=O)C7.C38=O.CO5.C69.N36
|
CSCC[C@H](NC(=O)[C@@H](C)N1CCCC1)C(=O)NC[C@@H]1COCC1(C)C
|
CSCC[C@H]NC=O)[C@@H]C)NCCCC5))))))))C=O)NC[C@@H]COCC5C)C
|
[C][S][C][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][O][C][C][Ring1][Branch1][Branch1][C][C][C]
|
C7C[C@H]4C3=O.[C@@H]18COCC1(C)C.C2(=O)[C@H]5C.N15CCCC1.CS7.N24.N36.C68
|
CO[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)[C@@H]1Cc2cc(C)ccc2S1
|
CO[C@@H]CCC)C)CC[C@@H]6NC=O)[C@@H]CcccC)ccc6S9
|
[C][O][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][C][C@@H1][Ring1][Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2]
|
[C@@H]16Cc2cc(C)ccc2S1.[C@@H]14CC(C)(C)CC[C@@H]15.C36=O.CO4.N35
|
N#Cc1cccc(CC(=O)NCCSCC(=O)NCc2cc(C3CC3)no2)c1
|
N#CcccccCC=O)NCCSCC=O)NCcccCCC3)))no5)))))))))))))))c6
|
[N][#C][C][=C][C][=C][C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][C][S][C][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][=C][Ring2][Ring1][#Branch2]
|
N#Cc1cccc%11c1.c1%10cc%12no1.C%11C4=O.C9C5=O.C6C8.C1%12CC1.N46.S89.N57.C7%10
|
CCN(CCNC(=O)c1ncc(C)cc1C)C(=O)c1cnn2c1OC[C@H](OC)C2
|
CCNCCNC=O)cnccC)cc6C)))))))))))C=O)ccnnc5OC[C@H]OC))C6
|
[C][C][N][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][C][C][=N][N][C][=Ring1][Branch1][O][C][C@H1][Branch1][Ring1][O][C][C][Ring1][Branch2]
|
c1%10cnn2c1OC[C@H]5C2.c19ncc(C)cc1C.N467.C7C8.C39=O.C4%10=O.CC6.N38.O5C
|
CCN(CC)C(=O)CN(C)C(=O)[C@@H]1CCN(C(=O)[C@H](COC)N(C)C)[C@H]1C(C)C
|
CCNCC))C=O)CNC)C=O)[C@@H]CCNC=O)[C@H]COC)))NC)C))))[C@H]5CC)C
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][O][C][N][Branch1][C][C][C][C@H1][Ring1][=C][C][Branch1][C][C][C]
|
[C@@H]1%11CCN5[C@H]13.C5(=O)[C@@H]%10C6.C2(=O)C9.N278.N49C.C4%11=O.N%10(C)C.C3(C)C.CC7.C8C.O6C
|
C[C@H]1C[C@H](NC(=O)Cn2nnc(-c3ccco3)n2)CN(C(=O)CCC#N)C1
|
C[C@H]C[C@H]NC=O)Cnnnc-cccco5)))))n5))))))))CNC=O)CCC#N)))))C6
|
[C][C@H1][C][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][#Branch2][C][N][Branch1][=Branch2][C][=Branch1][C][=O][C][C][C][#N][C][Ring2][Ring1][#Branch2]
|
C[C@H]1C[C@H]6CN5C1.n17nnc8n1.C5(=O)CCC#N.c18ccco1.C4(=O)C7.N46
|
Cc1cc(NC(=O)[C@@H]2CN(c3ncnc4c3ccn4C)CC[C@@H]2O)cnc1F
|
CcccNC=O)[C@@H]CNcncncc6ccn5C))))))))))CC[C@@H]6O)))))))))cnc6F
|
[C][C][=C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C@@H1][C][N][Branch1][#C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=C][N][Ring1][Branch1][C][C][C][C@@H1][Ring1][S][O][=C][N][=C][Ring2][Ring1][#Branch2][F]
|
c16ncnc2c1ccn2C.Cc1cc7cnc1F.[C@@H]18CN6CC[C@@H]1O.C58=O.N57
|
C[C@]1(C(=O)NC[C@@H]2CCCCN2C(=O)CNc2ccccc2[N+](=O)[O-])CCCS1
|
C[C@]C=O)NC[C@@H]CCCCN6C=O)CNcccccc6[N+]=O)[O-]))))))))))))))))))))CCCS5
|
[C][C@][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][C][C][S][Ring2][Ring1][N]
|
c17ccccc1[N+](=O)[O-].[C@@H]19CCCCN14.C[C@]18CCCS1.C4(=O)C6.C38=O.N35.C59.N67
|
COC(=O)c1cncc(N[C@]2(c3nnnn3C3CC(F)(F)C3)CCN(C)[C@@H]2C)c1
|
COC=O)ccnccN[C@]cnnnn5CCCF)F)C4)))))))))CCNC)[C@@H]5C)))))))c6
|
[C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch2][Ring2][Ring1][N][C@][Branch2][Ring1][Ring2][C][=N][N][=N][N][Ring1][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][C][C][N][Branch1][C][C][C@@H1][Ring1][P][C][=C][Ring2][Ring1][=Branch2]
|
[C@@]159CCN(C)[C@@H]1C.c17cncc6c1.c19nnnn18.C18CC(F)(F)C1.C47=O.CO4.N56
|
COc1nc(Cl)ccc1C(=O)N1C[C@@H]2C[C@@H](CNC(=O)[C@H]3CC4(CC4)CO3)[C@@H]2C1
|
COcncCl)ccc6C=O)NC[C@@H]C[C@@H]CNC=O)[C@H]CCCC3))CO5))))))))[C@@H]4C7
|
[C][O][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C@@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@H1][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][O][Ring1][#Branch1][C@@H1][Ring1][#C][C][Ring2][Ring1][C]
|
c17nc(Cl)ccc1%10.N15C[C@@H]2C[C@@H]%11[C@@H]2C1.[C@H]19CC2(CC2)CO1.C5%10=O.C69=O.CO7.C8%11.N68
|
CCS(=O)(=O)N[C@@H](C)C(=O)NCC[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1
|
CCS=O)=O)N[C@@H]C)C=O)NCC[C@@H]CCCNCccccCl)cc6Cl))))))))C6
|
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][C][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Ring1][#C]
|
c19ccc(Cl)cc1Cl.[C@@H]18CCCN6C1.CCS7(=O)=O.[C@H]4(C)C3=O.C5C8.N47.N35.C69
|
C[C@H]1C[C@H](C(=O)NCc2cn(C3CN(Cc4nnc(C(C)(C)C)o4)C3)nn2)CO1
|
C[C@H]C[C@H]C=O)NCccnCCNCcnncCC)C)C))o5))))))C4))))nn5))))))))CO5
|
[C][C@H1][C][C@H1][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C][=C][N][Branch2][Ring1][N][C][C][N][Branch2][Ring1][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][=Branch2][C][Ring1][=C][N][=N][Ring2][Ring1][Ring1][C][O][Ring2][Ring1][N]
|
C[C@H]1C[C@H]8CO1.c19cn%12nn1.c1%10nnc%11o1.C1%12CN7C1.C%11(C)(C)C.C58=O.N56.C69.C7%10
|
CSCC1(C(=O)NCCO[C@@H]2CCN(C(=O)CCCn3ccnc3)C2)CC1
|
CSCCC=O)NCCO[C@@H]CCNC=O)CCCnccnc5)))))))))C5))))))))))CC3
|
[C][S][C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][O][C@@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][Ring1][#C][C][C][Ring2][Ring1][Branch2]
|
[C@@H]17CCN5C1.C5(=O)CCC%11.n1%11ccnc1.C1%10%12CC1.C4%10=O.C8C6.CS9.C9%12.N48.O67
|
Cn1nc(O)cc1C(=O)N1CCC[C@H]1C(C)(C)NC(=O)CCc1ccsc1
|
CnncO)cc5C=O)NCCC[C@H]5CC)C)NC=O)CCcccsc5
|
[C][N][N][=C][Branch1][C][O][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][=C][S][C][=Ring1][Branch1]
|
Cn1nc(O)cc15.N12CCC[C@H]16.C3(=O)CC7.c17ccsc1.C46(C)C.C25=O.N34
|
N#Cc1c(Cl)nsc1N1CC[C@H](CCNC(=O)[C@H]2CCc3n[nH]cc3C2)C1
|
N#CccCl)nsc5NCC[C@H]CCNC=O)[C@H]CCcn[nH]cc5C9)))))))))))))C5
|
[N][#C][C][C][Branch1][C][Cl][=N][S][C][=Ring1][=Branch1][N][C][C][C@H1][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring2][Ring1][Ring1]
|
[C@H]17CCc2n[nH]cc2C1.N#Cc1c(Cl)nsc16.N16CC[C@H]8C1.C8C5.C47=O.N45
|
COc1ccccc1[C@@H](O)C(=O)N[C@H]1CN(C(=O)Cc2cnnn2C)C[C@H]1OC
|
COcccccc6[C@@H]O)C=O)N[C@H]CNC=O)Cccnnn5C))))))))C[C@H]5OC
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][N][=N][N][Ring1][Branch1][C][C][C@H1][Ring1][=C][O][C]
|
c16ccccc19.[C@H]17CN4C[C@H]15.c18cnnn1C.[C@H]9(O)C3=O.C4(=O)C8.CO6.N37.O5C
|
CCC12CC(C(=O)NS(=O)(=O)c3ccc(Br)o3)(C1)C2
|
CCCCCC=O)NS=O)=O)ccccBr)o5))))))))C4)C4
|
[C][C][C][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][O][Ring1][=Branch1][Branch1][Ring2][C][Ring1][S][C][Ring1][P]
|
S5(=O)(=O)c1ccc(Br)o1.C127CC6(C1)C2.C46=O.CC7.N45
|
O=C1CC[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3cn(CC(F)F)cn3)C2)O1
|
O=CCC[C@@H]C=O)NC[C@H]C[C@@H]NC=O)ccnCCF)F)))cn5)))))))C4)))))))O5
|
[O][=C][C][C][C@@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][N][Branch1][#Branch1][C][C][Branch1][C][F][F][C][=N][Ring1][=Branch2][C][Ring1][S][O][Ring2][Ring1][=Branch2]
|
O=C1CC[C@@H]8O1.c19cn%10cn1.[C@H]1%11C[C@@H]7C1.C%10C(F)F.C48=O.C59=O.N46.C6%11.N57
|
C=CC1(CC(=O)N[C@@H](CC)CO)CN(C(=O)CCc2cn[nH]c2)C1
|
C=CCCC=O)N[C@@H]CC))CO))))))CNC=O)CCccn[nH]c5))))))))C4
|
[C][=C][C][Branch1][=C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][C][C][O][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][=N][NH1][C][=Ring1][Branch1][C][Ring2][Ring1][=Branch1]
|
C=CC16CN4C1.[C@H]5(CC)CO.C4(=O)CC7.c17cn[nH]c1.C6C3=O.N35
|
C#C[C@H]1C[C@H]1C(=O)NCC[C@H]1CCN(C(=O)c2cc3c(nn2)CCCC3)C1
|
C#C[C@H]C[C@H]3C=O)NCC[C@H]CCNC=O)ccccnn6))CCCC6)))))))))C5
|
[C][#C][C@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C@H1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][N][=N][Ring1][=Branch1][C][C][C][C][Ring1][Branch2][C][Ring1][P]
|
c17cc2c(nn1)CCCC2.[C@H]19CCN5C1.C#C[C@H]1C[C@H]18.C48=O.C6C9.C57=O.N46
|
C[C@@H]1[C@H](NC(=O)[C@@]2(c3ccccc3)CCCO2)CCCN1C(=O)[C@@H]1CCC(=O)O1
|
C[C@@H][C@H]NC=O)[C@@]cccccc6))))))CCCO5)))))))CCCN6C=O)[C@@H]CCC=O)O5
|
[C][C@@H1][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][O][Ring1][O][C][C][C][N][Ring2][Ring1][Ring2][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1]
|
C[C@@H]1[C@H]6CCCN15.[C@]179CCCO1.c19ccccc1.[C@@H]18CCC(=O)O1.C47=O.C58=O.N46
|
C#Cc1ccc(C(=O)NCCCCCNC(=O)C=CCO)cn1
|
C#CccccC=O)NCCCCCNC=O)C=CCO)))))))))))))cn6
|
[C][#C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][O][C][=N][Ring2][Ring1][Branch1]
|
C#Cc1ccc6cn1.C4CCCC5.C3(=O)C=7.C26=O.C=7CO.N24.N35
|
O=C(C[C@@H]1C=CCC1)NCc1ccc(CNC(=O)c2ccc3c(c2)CCO3)cc1
|
O=CC[C@@H]C=CCC5))))))NCccccCNC=O)cccccc6)CCO5)))))))))))cc6
|
[O][=C][Branch1][=Branch2][C][C@@H1][C][=C][C][C][Ring1][Branch1][N][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1]
|
c18ccc2c(c1)CCO2.c1%10ccc%11cc1.[C@@H]19C=CCC1.O=C4C9.C58=O.N46.C6%10.C7%11.N57
|
CC[C@H](CCC(=O)N1CC[C@]2(C)CN(C(=O)[C@H](C)CN3CCOCC3)C[C@H]12)OC
|
CC[C@H]CCC=O)NCC[C@]C)CNC=O)[C@H]C)CNCCOCC6)))))))))C[C@H]85)))))))))))OC
|
[C][C][C@H1][Branch2][Ring2][O][C][C][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C@H1][Ring2][Ring1][Ring2][Ring1][P][O][C]
|
N14CC[C@]2(C)CN5C[C@H]12.CC[C@@H]6CCC4=O.C5(=O)[C@H](C)C7.N17CCOCC1.O6C
|
COC(=O)[C@H](C)C(=O)N1CCC[C@@H](CN(C)Cc2ccc(C(F)F)c(OC)c2)C1
|
COC=O)[C@H]C)C=O)NCCC[C@@H]CNC)CccccCF)F))cOC))c6)))))))))C6
|
[C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][#Branch2][C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][C][Branch1][Ring1][O][C][=C][Ring1][O][C][Ring2][Ring1][Branch1]
|
c19ccc%10c5c1.C3(=O)[C@H](C)C4=O.N14CCC[C@@H]8C1.N67C.C%10(F)F.CO3.C68.C79.O5C
|
Cc1ccc2c(c1)[C@H](NC(=O)N(C)C1(CN)CCOCC1)CC2
|
Ccccccc6)[C@H]NC=O)NC)CCN))CCOCC6)))))))))CC5
|
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][Ring1][C][N][C][C][O][C][C][Ring1][Branch2][C][C][Ring2][Ring1][Ring1]
|
Cc1ccc2c(c1)[C@H](N3)CC2.C156CCOCC1.C34=O.N45C.C6N
|
C=C1CC[C@@H]1C(=O)N[C@H]1CC[C@H]2C[C@H]1CN2C(=O)CC(C1CCC1)C1CCC1
|
C=CCC[C@@H]4C=O)N[C@H]CC[C@H]C[C@H]6CN5C=O)CCCCCC4))))CCCC4
|
[C][=C][C][C][C@@H1][Ring1][Ring2][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][C][C@H1][Ring1][=Branch1][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][C][C][C][Ring1][Ring2]
|
[C@H]15CC[C@H]2C[C@H]1CN24.C4(=O)CC78.C=C1CC[C@@H]16.C17CCC1.C18CCC1.C36=O.N35
|
CCOc1cc(N[C@@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)ncn1
|
CCOcccN[C@@H]CCCNC=O)ccccCl)s5))))))C6)))))))ncn6
|
[C][C][O][C][=C][C][Branch2][Ring1][#Branch2][N][C@@H1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][Ring1][=C][=N][C][=N][Ring2][Ring1][Branch1]
|
c16cc7ncn1.[C@@H]18CCCN4C1.c19ccc(Cl)s1.C49=O.CC5.O56.N78
|
COc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)c(F)c1
|
COccccNC=O)NCcccccc6)))))))C[C@@H]CCCO5)))))))))cF)c6
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][C][C][C][O][Ring1][Branch1][C][Branch1][C][F][=C][Ring2][Ring1][Branch2]
|
c15ccc8c(F)c1.c1%10ccccc1.[C@@H]19CCCO1.C34=O.N467.CO5.N38.C6%10.C79
|
COC(=O)C1(N(C)C(=O)[C@@H]2CCO[C@H]2CNC(=O)[C@]2(C)CCCN(C)C2)CC1
|
COC=O)CNC)C=O)[C@@H]CCO[C@H]5CNC=O)[C@]C)CCCNC)C6))))))))))))))))CC3
|
[C][O][C][=Branch1][C][=O][C][Branch2][Ring2][Ring2][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C][O][C@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][N][Branch1][C][C][C][Ring1][Branch2][C][C][Ring2][Ring1][Branch2]
|
[C@@]1%10(C)CCCN(C)C1.[C@@H]19CCO[C@H]1%11.C168CC1.C38=O.N46C.C49=O.C5%10=O.CO3.C7%11.N57
|
CC[C@@H]1C[C@H](C(=O)N2CC3(CC3)C[C@H]2CO)CCN1C(=O)[C@]12COC[C@H]1C2
|
CC[C@@H]C[C@H]C=O)NCCCC3))C[C@H]5CO))))))))CCN6C=O)[C@]COC[C@H]5C6
|
[C][C][C@@H1][C][C@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][C@H1][Ring1][#Branch1][C][O][C][C][N][Ring1][P][C][=Branch1][C][=O][C@][C][O][C][C@H1][Ring1][Branch1][C][Ring1][=Branch1]
|
[C@@H]18C[C@H]6CCN15.N14CC2(CC2)C[C@H]19.[C@]127COC[C@H]1C2.C46=O.C57=O.CC8.C9O
|
C[C@@]1(CCO)CCN(C(=O)[C@@H](F)CC2CN(C(=O)Cc3cccc(F)c3)C2)C1
|
C[C@@]CCO)))CCNC=O)[C@@H]F)CCCNC=O)CcccccF)c6))))))))C4)))))))C5
|
[C][C@@][Branch1][Ring2][C][C][O][C][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C@@H1][Branch1][C][F][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][=C][C][Ring2][Ring1][O]
|
C[C@@]16CCN4C1.c18cccc(F)c1.C4(=O)[C@@H](F)C7.C17CN5C1.C5(=O)C8.C6CO
|
Cc1cc(CC(=O)N[C@@H]2CCN(C(=O)CN3CCCCS3(=O)=O)C[C@@H]2CO)no1
|
CcccCC=O)N[C@@H]CCNC=O)CNCCCCS6=O)=O)))))))))C[C@@H]6CO)))))))))))no5
|
[C][C][=C][C][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][N][C][C][C][C][S][Ring1][=Branch1][=Branch1][C][=O][=O][C][C@@H1][Ring1][P][C][O][=N][O][Ring2][Ring1][N]
|
[C@@H]17CCN5C[C@@H]19.N16CCCCS1(=O)=O.Cc1cc8no1.C8C4=O.C5(=O)C6.N47.C9O
|
C[C@H](CNC(=O)c1n[nH]c2c1COCC2)N(C)C(=O)[C@@H]1CCC[C@H](F)C1
|
C[C@H]CNC=O)cn[nH]cc5COCC6))))))))))))NC)C=O)[C@@H]CCC[C@H]F)C6
|
[C][C@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][O][C][C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C][C][C@H1][Branch1][C][F][C][Ring1][#Branch1]
|
c17n[nH]c2c1COCC2.[C@@H]18CCC[C@H](F)C1.C[C@@H]5C6.C37=O.N45C.C48=O.N36
|
Cn1ncc2c1C[C@H](NC(=O)C1(c3ccccc3)CC(C)(C)C1)CC2
|
Cnnccc5C[C@H]NC=O)Ccccccc6))))))CCC)C)C4))))))CC6
|
[C][N][N][=C][C][=C][Ring1][Branch1][C][C@H1][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][N][C][C][Ring2][Ring1][Branch1]
|
Cn1ncc2c1C[C@H]5CC2.C167CC(C)(C)C1.c17ccccc1.C46=O.N45
|
COc1ccc2c(c1Br)CCN(C(=O)CN1C(=O)[C@H]3[C@H](C1=O)[C@H]1CC[C@H]3O1)C2
|
COcccccc6Br))CCNC=O)CNC=O)[C@H][C@H]C5=O))[C@H]CC[C@H]6O5)))))))))))C6
|
[C][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][Br][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][C@H1][Branch1][Branch1][C][Ring1][=Branch1][=O][C@H1][C][C][C@H1][Ring1][Branch2][O][Ring1][Branch1][C][Ring2][Ring1][#Branch1]
|
c15ccc2c(c1Br)CCN4C2.N16C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1.C4(=O)C6.CO5
|
CC1(C)C(CC(=O)N[C@@H]2C[C@H]3C[C@@H](C2)CN(C(=O)CC2(CO)CC2)C3)C1(C)C
|
CCC)CCC=O)N[C@@H]C[C@H]C[C@@H]C6)CNC=O)CCCO))CC3)))))C6)))))))))))C3C)C
|
[C][C][Branch1][C][C][C][Branch2][Ring2][=Branch1][C][C][=Branch1][C][=O][N][C@@H1][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch1][C][Ring1][#C][C][Ring2][Ring1][=Branch2][Branch1][C][C][C]
|
[C@H]16C[C@@H]2C[C@H](C1)CN5C2.CC1(C)C7C1(C)C.C7C4=O.C5(=O)C8.C189CC1.N46.C9O
|
CC(C)[C@@H](O)C1(CNC(=O)CC2CCN(C(=O)[C@@]34CC[C@@H](CC3=O)C4)CC2)CC1
|
CCC)[C@@H]O)CCNC=O)CCCCNC=O)[C@@]CC[C@@H]CC6=O)))C5))))))CC6))))))))))CC3
|
[C][C][Branch1][C][C][C@@H1][Branch1][C][O][C][Branch2][Ring2][Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@@][C][C][C@@H1][Branch1][=Branch1][C][C][Ring1][=Branch1][=O][C][Ring1][Branch2][C][C][Ring1][S][C][C][Ring2][Ring1][Branch2]
|
[C@@]128CC[C@@H](CC1=O)C2.C1%11CCN6CC1.CC(C)[C@H]9O.C19%10CC1.C5(=O)C%11.C68=O.C7%10.N57
|
COC1(CC(=O)N[C@@]2(C)CCN(C(=O)C=C[S@@+](C)[O-])C2)CCC1
|
COCCC=O)N[C@@]C)CCNC=O)C=C[S@@+]C)[O-])))))C5))))))))CCC4
|
[C][O][C][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][C@@][Branch1][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S@@+1][Branch1][C][C][O-1][C][Ring1][=N][C][C][C][Ring2][Ring1][Branch1]
|
[C@]16(C)CCN4C1.C4(=O)C=C[S@@+](C)[O-].C157CCC1.C7C3=O.CO5.N36
|
Cc1ccc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N2CCOC(C)(C)[C@@H]2C)cn1
|
CccccC=O)N[C@@H]CC[C@@H]C5)[C@H]6C=O)NCCOCC)C)[C@@H]6C)))))))))))))))cn6
|
[C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=N][Ring2][Ring1][#Branch2]
|
N15CCOC(C)(C)[C@@H]1C.N14[C@@H]2CC[C@@H](C2)[C@H]16.Cc1ccc7cn1.C47=O.C56=O
|
CC(C)(CCC(=O)NC[C@H](F)CNC(=O)COc1ccccc1)[N+](=O)[O-]
|
CCC)CCC=O)NC[C@H]F)CNC=O)COcccccc6)))))))))))))))))[N+]=O)[O-]
|
[C][C][Branch1][C][C][Branch2][Ring1][=N][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][F][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1]
|
CC(C)(CCC2=O)[N+](=O)[O-].c15ccccc1.C6[C@H](F)C7.C3(=O)C4.N26.N37.O45
|
CCC(C)(C)CC(=O)N(C)CC1(NC(=O)C[C@H]2C=NN(C)C2=O)CC1
|
CCCC)C)CC=O)NC)CCNC=O)C[C@H]C=NNC)C5=O)))))))))CC3
|
[C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C@H1][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=O][C][C][Ring1][=C]
|
CCC(C)(C)CC3=O.[C@H]18C=NN(C)C1=O.C167CC1.C4(=O)C8.N35C.C57.N46
|
CCCC(C)=CC(=O)N[C@@]1(C)CCN(C(=O)[C@@]2(c3ccccc3)CCCO2)C1
|
CCCCC)=CC=O)N[C@@]C)CCNC=O)[C@@]cccccc6))))))CCCO5))))))C5
|
[C][C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][C@@][Branch1][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C@@][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][O][Ring1][O][C][Ring2][Ring1][Ring1]
|
[C@]16(C)CCN5C1.[C@]179CCCO1.c19ccccc1.CCCC=8C.C=8C4=O.C57=O.N46
|
CCCC(=O)N[C@@H]1CCCC[C@@]12CCN(C(=O)c1ccnn1C(CC)CC)C2
|
CCCC=O)N[C@@H]CCCC[C@@]6CCNC=O)cccnn5CCC))CC)))))))))C5
|
[C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][C@@][Ring1][=Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][Branch1][Ring1][C][C][C][C][C][Ring1][P]
|
[C@@H]15CCCC[C@@]12CCN4C2.c16ccnn17.CCCC3=O.C7(CC)CC.C46=O.N35
|
Cc1cncc(CCC(=O)N[C@@H]2COC[C@@H]2NC(=O)c2cccc(F)c2)c1
|
CccnccCCC=O)N[C@@H]COC[C@@H]5NC=O)cccccF)c6)))))))))))))))))c6
|
[C][C][=C][N][=C][C][Branch2][Ring1][#C][C][C][C][=Branch1][C][=O][N][C@@H1][C][O][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring2][Ring1][#Branch2]
|
Cc1cncc8c1.c17cccc(F)c1.[C@@H]15COC[C@@H]16.C8CC3=O.C47=O.N35.N46
|
CCCN(C(=O)/C=C/C(C)C)C1CCN(C(=O)c2scc(Cl)c2Cl)CC1
|
CCCNC=O)/C=C/CC)C)))))CCCNC=O)csccCl)c5Cl)))))))CC6
|
[C][C][C][N][Branch1][N][C][=Branch1][C][=O][/C][=C][/C][Branch1][C][C][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][S][C][=C][Branch1][C][Cl][C][=Ring1][=Branch1][Cl][C][C][Ring1][#C]
|
C16CCN4CC1.c17scc(Cl)c1Cl.C3(=O)C=8.C=8C(C)C.CCC5.N356.C47=O
|
C#CCC1(C(=O)NC2CCC(NC(=O)c3ccc(COC)s3)CC2)CCOCC1
|
C#CCCC=O)NCCCCNC=O)ccccCOC)))s5)))))))CC6))))))))CCOCC6
|
[C][#C][C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][C][O][C][S][Ring1][Branch2][C][C][Ring1][P][C][C][O][C][C][Ring2][Ring1][#Branch2]
|
C1%10%12CCOCC1.C17CCC8CC1.c19ccc%11s1.C#CC%12.C4%10=O.C59=O.N47.N58.C6%11.O6C
|
COCCN(C)CC(=O)N[C@@H]1C[C@@H]1[C@@H]1CCCN(C(=O)c2csc(Cl)c2)C1
|
COCCNC)CC=O)N[C@@H]C[C@@H]3[C@@H]CCCNC=O)ccscCl)c5))))))C6
|
[C][O][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][Ring1][Ring1][C@@H1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][Ring1][=C]
|
[C@@H]18C[C@@H]1[C@@H]1CCCN4C1.c19csc(Cl)c1.C7C3=O.C5C6.N67C.C49=O.CO5.N38
|
C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccc(F)cc2)C1
|
C#CC[C@@H]Ccccccc6)))))))NC=O)[C@H]CC=O)N[C@@H]C)ccccF)cc6)))))))C5
|
[C][#C][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][C][C][=Branch1][C][=O][N][Branch1][S][C@@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][#C]
|
[C@H]15CC(=O)N6C1.c18ccc(F)cc1.C#CC[C@H]4C7.c17ccccc1.C35=O.[C@@H]68C.N34
|
CCN1CCOC[C@H]1CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[C@@](C)(F)CC1
|
CCNCCOC[C@H]6CC=O)NC[C@H]O)CNC=O)[C@H]CC[C@@]C)F)CC6
|
[C][C][N][C][C][O][C][C@H1][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C@H1][C][C][C@@][Branch1][C][C][Branch1][C][F][C][C][Ring1][Branch2]
|
[C@H]17CC[C@@](C)(F)CC1.N14CCOC[C@H]18.C5[C@H](O)C6.C8C2=O.C37=O.CC4.N25.N36
|
CC(CC(=O)N1C[C@H](NC(=O)C(C)(C)CN(C)C)CC[C@H]1C)c1ccccc1F
|
CCCC=O)NC[C@H]NC=O)CC)C)CNC)C))))))CC[C@H]6C)))))))))cccccc6F
|
[C][C][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][C][C][C@H1][Ring1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
N12C[C@H]5CC[C@H]1C.C3(=O)C(C)(C)C4.c16ccccc1F.CC6CC2=O.N4(C)C.N35
|
Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccco1)C(=O)N1CCC([C@H](C)O)CC1
|
CccO)cccc6C=O)N[C@@H]Ccccco5))))))C=O)NCCC[C@H]C)O))CC6
|
[C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C@H1][Branch1][C][C][O][C][C][Ring1][=Branch2]
|
Cc1c5cccc1O.N13CCC7CC1.[C@H]4(C6)C3=O.c16ccco1.C25=O.[C@@H]7(C)O.N24
|
CCN(C[C@H](C)NC(=O)C[C@H]1C[C@@H]1C(F)(F)F)C(=O)c1ccn2ncnc2c1
|
CCNC[C@H]C)NC=O)C[C@H]C[C@@H]3CF)F)F))))))))))C=O)cccnncnc5c9
|
[C][C][N][Branch2][Ring1][=Branch2][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C@H1][C][C@@H1][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][C][=C][N][N][=C][N][=C][Ring1][Branch1][C][=Ring1][=Branch2]
|
c18ccn2ncnc2c1.C6[C@@H]7C.C3(=O)C9.[C@H]19C[C@@H]1%10.C%10(F)(F)F.N456.C48=O.CC5.N37
|
CCCCCC(=O)N[C@H]1C[C@@H](CC(=O)NC2CC(=C3CC3)C2)C1(C)C
|
CCCCCC=O)N[C@H]C[C@@H]CC=O)NCCC=CCC3)))C4)))))))C4C)C
|
[C][C][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][=Branch1][=C][C][C][Ring1][Ring1][C][Ring1][#Branch1][C][Ring1][#C][Branch1][C][C][C]
|
CCCCCC4=O.[C@H]16C[C@@H]9C1(C)C.C17CC=8C1.C9C5=O.C1=8CC1.N46.N57
|
COc1cc(CC(=O)N[C@@H](C)[C@H]2CCN(C(=O)Cc3cccc(Cl)c3)C2)ccn1
|
COcccCC=O)N[C@@H]C)[C@H]CCNC=O)CcccccCl)c6))))))))C5)))))))))ccn6
|
[C][O][C][=C][C][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring1][#C][=C][C][=N][Ring2][Ring1][O]
|
c16cc9ccn1.c1%10cccc(Cl)c1.[C@H]18CCN5C1.C9C4=O.C5(=O)C%10.[C@@H]78C.CO6.N47
|
CCC(C)(C)[C@H](C)NC(=O)[C@H]1CC[C@@H](C)N(C(=O)CNC=O)C1
|
CCCC)C)[C@H]C)NC=O)[C@H]CC[C@@H]C)NC=O)CNC=O)))))C6
|
[C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C@@H1][Branch1][C][C][N][Branch1][=Branch2][C][=Branch1][C][=O][C][N][C][=O][C][Ring1][=N]
|
[C@H]16CC[C@@H](C)N3C1.CCC(C)(C)[C@@H]4C.C3(=O)C5.C26=O.N5C=O.N24
|
CCC[C@H](C(=O)N1CC[C@](N=[N+]=[N-])(C(=O)N2CC[C@@](C)(N(C)CC)C2)C1)N(C)C
|
CCC[C@H]C=O)NCC[C@]N=[N+]=[N-])))C=O)NCC[C@@]C)NC)CC)))C5))))))C5))))))NC)C
|
[C][C][C][C@H1][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][C@][Branch1][Ring2][N][=N+1][=N-1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C@@][Branch1][C][C][Branch1][#Branch1][N][Branch1][C][C][C][C][C][Ring1][#Branch2][C][Ring2][Ring1][Ring2][N][Branch1][C][C][C]
|
N13CC[C@@]8(N=[N+]=[N-])C1.CCC[C@@H]5C3=O.N14CC[C@]6(C)C1.C48=O.N67C.N5(C)C.C7C
|
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