SMILES
stringlengths 17
123
| Deep SMILES
stringlengths 15
129
| SELFIES
stringlengths 71
378
| SAFE
stringlengths 23
156
|
|---|---|---|---|
C[C@H]1CC(CNC(=O)CC2(NC(=O)CCCc3ncco3)CCC2)C[C@H](C)O1
|
C[C@H]CCCNC=O)CCNC=O)CCCcncco5))))))))))CCC4))))))))C[C@H]C)O6
|
[C][C@H1][C][C][Branch2][Ring1][#C][C][N][C][=Branch1][C][=O][C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][C][=N][C][=C][O][Ring1][Branch1][C][C][C][Ring1][#C][C][C@H1][Branch1][C][C][O][Ring2][Ring1][O]
|
C[C@H]1CC9C[C@H](C)O1.C5(=O)CCC8.C17%10CCC1.c18ncco1.C4(=O)C%10.C69.N46.N57
|
Cc1nc(CC(=O)NCC2(NC(=O)COC3CCCCCC3)CCC2)c(Cl)s1
|
CcncCC=O)NCCNC=O)COCCCCCCC7)))))))))))CCC4))))))))cCl)s5
|
[C][C][=N][C][Branch2][Ring1][S][C][C][=Branch1][C][=O][N][C][C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][C][C][C][C][C][C][Ring1][#Branch1][C][C][C][Ring1][S][=C][Branch1][C][Cl][S][Ring2][Ring1][O]
|
Cc1nc%10c(Cl)s1.C17CCCCCC1.C19%11CCC1.C%10C4=O.C5(=O)C6.N48.C8%11.N59.O67
|
Cc1noc(C)c1CC(=O)N1CCCO[C@H](CNC(=O)C2(C)CSC2)C1
|
CcnocC)c5CC=O)NCCCO[C@H]CNC=O)CC)CSC4)))))))C7
|
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][O][C@H1][Branch1][S][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][S][C][Ring1][Branch1][C][Ring1][S]
|
N13CCCO[C@H]7C1.Cc1noc(C)c18.C16(C)CSC1.C8C3=O.C46=O.C57.N45
|
Cc1noc(C)c1CC(=O)N1CCCO[C@@H](CNC(=O)C2CSC2)C1
|
CcnocC)c5CC=O)NCCCO[C@@H]CNC=O)CCSC4)))))))C7
|
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][O][C@@H1][Branch1][=N][C][N][C][=Branch1][C][=O][C][C][S][C][Ring1][Ring2][C][Ring1][#C]
|
N13CCCO[C@@H]7C1.Cc1noc(C)c18.C8C3=O.C16CSC1.C46=O.C57.N45
|
CN(C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cncs2)C1)C(=O)C1=C(C#N)CCC1
|
CNC[C@H]CCNC=O)[C@@H]C[C@H]3ccncs5)))))))))C5))))))C=O)C=CC#N))CCC5
|
[C][N][Branch2][Ring1][O][C][C@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][=C][N][=C][S][Ring1][Branch1][C][Ring1][#C][C][=Branch1][C][=O][C][=C][Branch1][Ring1][C][#N][C][C][C][Ring1][#Branch1]
|
C4(=O)C1=C(C#N)CCC1.[C@H]17CCN3C1.c18cncs1.[C@@H]16C[C@H]18.CN45.C36=O.C57
|
COc1cc([C@@H](NCC[C@@H]2COC3(CCC3)CO2)c2nnnn2C2CCC2)sn1
|
COccc[C@@H]NCC[C@@H]COCCCC4)))CO6)))))))))cnnnn5CCCC4))))))))))sn5
|
[C][O][C][C][=C][Branch2][Ring2][Ring2][C@@H1][Branch2][Ring1][Ring1][N][C][C][C@@H1][C][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][O][Ring1][=Branch2][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][Ring1][Ring2][S][N][=Ring2][Ring1][O]
|
[C@@H]17COC2(CCC2)CO1.c14cc8sn1.c19nnnn1%10.C1%10CCC1.[C@@H]589.C6C7.CO4.N56
|
c1cc([C@H](NCC[C@H]2COC3(CCC3)CO2)c2nnnn2C2CCC2)sn1
|
ccc[C@H]NCC[C@H]COCCCC4)))CO6)))))))))cnnnn5CCCC4))))))))))sn5
|
[C][C][=C][Branch2][Ring2][Ring2][C@H1][Branch2][Ring1][Ring1][N][C][C][C@H1][C][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][O][Ring1][=Branch2][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][Ring1][Ring2][S][N][=Ring2][Ring1][O]
|
[C@H]16COC2(CCC2)CO1.c18nnnn19.c1cc7sn1.C19CCC1.[C@H]478.C5C6.N45
|
C=C(CCNC(=O)C1=CNS(=O)(=O)N=C1C)CNC(=O)c1cnc(CC2CC2)s1
|
C=CCCNC=O)C=CNS=O)=O)N=C6C)))))))))))CNC=O)ccncCCCC3))))s5
|
[C][=C][Branch2][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][=C][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][S][Ring1][=Branch2]
|
C3(=O)C1=CNS(=O)(=O)N=C1C.C=C(C6)CC5.c17cnc8s1.C47=O.C19CC1.N35.N46.C89
|
COc1ccc(C(=O)N[C@@H](CNC(=O)c2[nH]nnc2C2CC2)c2ccccc2)o1
|
COccccC=O)N[C@@H]CNC=O)c[nH]nnc5CCC3)))))))))))cccccc6)))))))))o5
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][NH1][N][=N][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][O]
|
c15ccc8o1.c19[nH]nnc1%11.c1%10ccccc1.[C@@H]6%10C7.C38=O.C49=O.C1%11CC1.CO5.N36.N47
|
Cc1coc(C(=O)N[C@H](CNC(=O)c2[nH]nnc2C2CC2)c2ccccc2F)c1
|
CccocC=O)N[C@H]CNC=O)c[nH]nnc5CCC3)))))))))))cccccc6F))))))))))c5
|
[C][C][=C][O][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][NH1][N][=N][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring2][Ring1][N]
|
c19ccccc1F.Cc1coc7c1.c18[nH]nnc1%10.[C@H]59C6.C37=O.C48=O.C1%10CC1.N35.N46
|
O=C1NCC2(CO1)CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)C3CCCC3)c1)C2
|
O=CNCCCO6))CNC=O)C=O)NcccccS=O)=O)CCCCC5))))))c6)))))))))C4
|
[O][=C][N][C][C][Branch1][Branch1][C][O][Ring1][=Branch1][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][=C][Ring1][=C][C][Ring2][Ring1][=Branch2]
|
c16cccc(S(=O)(=O)C2CCCC2)c1.O=C1NCC2(CO1)CN4C2.C4(=O)C5=O.N56
|
CC(C)N1CCC[C@@H](NC(=O)c2conc2[C@@H](C)NC(=O)c2c[nH]c(=S)cn2)C1
|
CCC)NCCC[C@@H]NC=O)cconc5[C@@H]C)NC=O)cc[nH]c=S)cn6))))))))))))))))C6
|
[C][C][Branch1][C][C][N][C][C][C][C@@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][O][N][=C][Ring1][Branch1][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=Branch1][C][=S][C][=N][Ring1][#Branch1][C][Ring2][Ring1][#Branch2]
|
N15CCC[C@@H]7C1.c18c[nH]c(=S)cn1.c19conc1%10.CC5C.C39=O.[C@H]6%10C.C48=O.N37.N46
|
CC1(C)C[C@@H](NC(=O)c2sccc2CNC(=O)[C@@H]2CCCS2)C(C)(C)O1
|
CCC)C[C@@H]NC=O)csccc5CNC=O)[C@@H]CCCS5)))))))))))))))CC)C)O5
|
[C][C][Branch1][C][C][C][C@@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][S][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][=Branch2]
|
CC1(C)C[C@@H]6C(C)(C)O1.c18sccc19.[C@@H]17CCCS1.C38=O.C47=O.N36.C59.N45
|
CC(C)[C@@H]1C[C@@H](NC(=O)c2sccc2CNC(=O)[C@]2(C)CCCS2)CO1
|
CCC)[C@@H]C[C@@H]NC=O)csccc5CNC=O)[C@]C)CCCS5)))))))))))))))CO5
|
[C][C][Branch1][C][C][C@@H1][C][C@@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][S][Ring1][=Branch1][C][O][Ring2][Ring1][#Branch1]
|
[C@@H]19C[C@@H]6CO1.c18sccc1%10.[C@@]17(C)CCCS1.CC9C.C38=O.C47=O.N36.C5%10.N45
|
O=C(C1CCN(c2ccncc2)CC1)N1CC(=O)N2CCOC[C@@]2(CO)C1
|
O=CCCCNcccncc6))))))CC6))))))NCC=O)NCCOC[C@@]6CO))C%10
|
[O][=C][Branch2][Ring1][Ring1][C][C][C][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][N][N][C][C][=Branch1][C][=O][N][C][C][O][C][C@@][Ring1][=Branch1][Branch1][Ring1][C][O][C][Ring1][=N]
|
N13CC(=O)N2CCOC[C@@]26C1.C15CCN4CC1.c14ccncc1.O=C35.C6O
|
Cc1ccc(C)c(C(=O)N2CC([C@@H]3C[C@H]3C(=O)NCC34CCN(CC3)C4)C2)n1
|
CccccC)cC=O)NCC[C@@H]C[C@H]3C=O)NCCCCNCC6))C5)))))))))))C4)))))n6
|
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch2][C@@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][Ring1][#Branch1][C][Ring2][Ring1][C][=N][Ring2][Ring1][O]
|
Cc1ccc(C)c8n1.N15CC([C@@H]2C[C@H]29)C1.C12%10CCN(CC1)C2.C58=O.C69=O.N67.C7%10
|
Cc1nc2c(s1)CCC[C@@H]2C(=O)NCC#CCNC(=O)C1CCSCC1
|
Ccnccs5)CCC[C@@H]6C=O)NCC#CCNC=O)CCCSCC6
|
[C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C@@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][#C][C][N][C][=Branch1][C][=O][C][C][C][S][C][C][Ring1][=Branch1]
|
Cc1nc2c(s1)CCC[C@@H]2C3=O.C17CCSCC1.C5C#CC6.C47=O.N35.N46
|
Cc1nc2c(s1)CCC[C@@H]2C(=O)NCC#CCNC(=O)C1(O)CCSCC1
|
Ccnccs5)CCC[C@@H]6C=O)NCC#CCNC=O)CO)CCSCC6
|
[C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C@@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][C][S][C][C][Ring1][#Branch1]
|
Cc1nc2c(s1)CCC[C@@H]2C3=O.C17(O)CCSCC1.C5C#CC6.C47=O.N35.N46
|
O=C([C@H]1CC[C@H](C2CC2)C1)N1CCC(CC(=O)N2CCCc3nncn32)CC1
|
O=C[C@H]CC[C@H]CCC3)))C5)))))NCCCCC=O)NCCCcnncn59)))))))))))CC6
|
[O][=C][Branch1][#C][C@H1][C][C][C@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][Branch2][N][C][C][C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][=N][N][=C][N][Ring1][Branch1][Ring1][=Branch2][C][C][Ring2][Ring1][C]
|
C6C(=O)N1CCCc2nncn21.[C@H]15CC[C@H](C2CC2)C1.N14CCC6CC1.O=C45
|
O=C([C@@H]1CCCS1(=O)=O)N1CCC=C(CNC(=O)[C@H]2C[C@@H](O)C2)C1
|
O=C[C@@H]CCCS5=O)=O))))))NCCC=CCNC=O)[C@H]C[C@@H]O)C4)))))))C6
|
[O][=C][Branch1][N][C@@H1][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][N][C][C][C][=C][Branch1][S][C][N][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch1][C][O][C][Ring1][Branch1][C][Ring1][#C]
|
N13CCC=C(C5)C1.[C@@H]16CCCS1(=O)=O.[C@H]17C[C@@H](O)C1.O=C36.C47=O.N45
|
C#CCC1(C(=O)NCC2=CCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)CCC1
|
C#CCCC=O)NCC=CCCNC=O)[C@@H]CCCS5=O)=O)))))))C6)))))))))CCC4
|
[C][#C][C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][=C][C][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][C][Ring1][#C][C][C][C][Ring2][Ring1][#Branch1]
|
C6C1=CCCN5C1.[C@@H]17CCCS1(=O)=O.C189CCC1.C#CC9.C48=O.C57=O.N46
|
CCC1(C(=O)NCC2=CCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)CC(F)(F)C1
|
CCCC=O)NCC=CCCNC=O)[C@@H]CCCS5=O)=O)))))))C6)))))))))CCF)F)C4
|
[C][C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][=C][C][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][C][Ring1][#C][C][C][Branch1][C][F][Branch1][C][F][C][Ring2][Ring1][=Branch2]
|
C6C1=CCCN5C1.C189CC(F)(F)C1.[C@@H]17CCCS1(=O)=O.C48=O.C57=O.CC9.N46
|
O=C(NCC1=CCCN(C(=O)[C@@H]2CCCS2(=O)=O)C1)C1CC(F)(CF)C1
|
O=CNCC=CCCNC=O)[C@@H]CCCS5=O)=O)))))))C6))))))))CCCF)CF))C4
|
[O][=C][Branch2][Ring1][N][N][C][C][=C][C][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][C][Ring1][#C][C][C][C][Branch1][C][F][Branch1][Ring1][C][F][C][Ring1][#Branch1]
|
C5C1=CCCN4C1.[C@@H]16CCCS1(=O)=O.C17CC8(F)C1.O=C37.C46=O.N35.C8F
|
CN1[C@H]2CC[C@H]1CC(=CC(=O)N[C@@H]1CN(C(=O)[C@H]3C4CCN3CC4)C[C@H]1O)C2
|
CN[C@H]CC[C@H]5CC=CC=O)N[C@@H]CNC=O)[C@H]CCCN5CC6))))))))C[C@H]5O)))))))))C7
|
[C][N][C@H1][C][C][C@H1][Ring1][Branch1][C][C][=Branch2][Ring1][S][=C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][C][Ring1][=Branch1][C][C@H1][Ring1][=C][O][C][Ring2][Ring1][#Branch2]
|
CN1[C@H]2CC[C@H]1CC=9C2.[C@@H]17CN6C[C@H]1O.[C@H]18C2CCN1CC2.C=9C5=O.C68=O.N57
|
CC1(C(=O)N2CCC[C@@](CO)(CNC(=O)c3cc(C4CC4)no3)C2)SCCCS1
|
CCC=O)NCCC[C@@]CO))CNC=O)cccCCC3)))no5))))))))C6)))))))SCCCS6
|
[C][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][C][C@@][Branch1][Ring1][C][O][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][C][Ring2][Ring1][Ring2][S][C][C][C][S][Ring2][Ring1][N]
|
N15CCC[C@@]%10%11C1.CC18SCCCS1.c19cc%12no1.C58=O.C69=O.C1%12CC1.C%10O.C7%11.N67
|
FC(F)(F)c1ccc(Cc2nc(-c3cc4ncccc4o3)n(C3CSC3)n2)cc1
|
FCF)F)ccccCcnc-cccncccc6o9)))))))))nCCSC4))))n5))))))cc6
|
[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][P][C][C][N][=C][Branch1][=C][C][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][Branch1][#Branch1][C][C][S][C][Ring1][Ring2][N][=Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2]
|
c19cc2ncccc2o1.c16ccc7cc1.c15nc9n8n1.FC6(F)F.C18CSC1.C57
|
Fc1ccc(Cc2nc(-c3cc4ncccc4o3)n(C3CSC3)n2)cc1
|
FccccCcnc-cccncccc6o9)))))))))nCCSC4))))n5))))))cc6
|
[F][C][=C][C][=C][Branch2][Ring1][P][C][C][N][=C][Branch1][=C][C][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][Branch1][#Branch1][C][C][S][C][Ring1][Ring2][N][=Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2]
|
c18cc2ncccc2o1.Fc1ccc6cc1.c15nc8n7n1.C17CSC1.C56
|
O=C(NC[C@H](O)CN1CCCCC1)NC[C@H]1CC[C@@H]2[C@H](CC1)C2(F)F
|
O=CNC[C@H]O)CNCCCCC6))))))))))NC[C@H]CC[C@@H][C@H]CC7))C3F)F
|
[O][=C][Branch1][S][N][C][C@H1][Branch1][C][O][C][N][C][C][C][C][C][Ring1][=Branch1][N][C][C@H1][C][C][C@@H1][C@H1][Branch1][Branch1][C][C][Ring1][#Branch1][C][Ring1][Branch1][Branch1][C][F][F]
|
[C@H]18CC[C@@H]2[C@H](CC1)C2(F)F.N16CCCCC1.C5[C@H](O)C6.O=C34.N35.N47.C78
|
C[C@@H]1CCCN(CCCNC(=O)NCC2CC[C@@H]3[C@@H](CC2)C3(F)F)C1
|
C[C@@H]CCCNCCCNC=O)NCCCC[C@@H][C@@H]CC7))C3F)F))))))))))))))C6
|
[C][C@@H1][C][C][C][N][Branch2][Ring1][=N][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][C@@H1][Branch1][Branch1][C][C][Ring1][#Branch1][C][Ring1][Branch1][Branch1][C][F][F][C][Ring2][Ring1][Branch2]
|
C19CC[C@@H]2[C@@H](CC1)C2(F)F.C[C@@H]1CCCN6C1.C6CC7.C45=O.N47.N58.C89
|
CC(C)[C@@H](CNC(=O)[C@@H]1CC(C2CC2)=NO1)Nc1nc2c(cc1C#N)COCC2
|
CCC)[C@@H]CNC=O)[C@@H]CCCCC3)))=NO5))))))))Ncncccc6C#N))))COCC6
|
[C][C][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][N][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][#N][C][O][C][C][Ring1][#Branch2]
|
c16nc2c(cc1C#N)COCC2.[C@@H]17CC(C2CC2)=NO1.CC(C)[C@H]4C5.C37=O.N35.N46
|
O=C(C[C@H]1C=C[C@@H](NC(=O)C2(CC3CC3)CC2)C1)N[C@@H]1CCCCC[C@@H]1CO
|
O=CC[C@H]C=C[C@@H]NC=O)CCCCC3))))CC3)))))C5))))))N[C@@H]CCCCC[C@@H]7CO
|
[O][=C][Branch2][Ring1][=C][C][C@H1][C][=C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][Ring1][#Branch1][C][Ring1][#C][N][C@@H1][C][C][C][C][C][C@@H1][Ring1][#Branch1][C][O]
|
[C@@H]17CCCCC[C@@H]1%12.[C@H]19C=C[C@@H]6C1.O=C4C9.C18%10CC1.C58=O.C1%11CC1.N56.C%10%11.N47.C%12O
|
Cc1ccc(CC(=O)N2CC[C@]3(C=C(C(=O)N[C@@H]4CCC45CCCC5)C3)C2)s1
|
CccccCC=O)NCC[C@]C=CC=O)N[C@@H]CCC4CCCC5))))))))))C4)))C5)))))))s5
|
[C][C][=C][C][=C][Branch2][Ring2][#Branch2][C][C][=Branch1][C][=O][N][C][C][C@][Branch2][Ring1][#Branch2][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][Ring1][Ring2][C][C][C][C][Ring1][Branch1][C][Ring1][#C][C][Ring2][Ring1][Ring1][S][Ring2][Ring1][O]
|
N16CC[C@]2(C=C(C7=O)C2)C1.[C@@H]18CCC12CCCC2.Cc1ccc9s1.C9C6=O.N78
|
CSC1CC(C(=O)N2CCC3(CC2)CN(C(=O)c2c[nH]nc2-c2ccsc2)C3)C1
|
CSCCCC=O)NCCCCC6))CNC=O)cc[nH]nc5-cccsc5)))))))))))C4))))))))C4
|
[C][S][C][C][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][C][=C][S][C][=Ring1][Branch1][C][Ring2][Ring1][C][C][Ring2][Ring1][O]
|
N14CCC2(CC1)CN5C2.c17c[nH]nc19.C18CC6C1.c19ccsc1.C46=O.C57=O.CS8
|
CC(C)N1CC2(CN(C(=O)[C@H]3C=CCCN3C(=O)c3cnsn3)C2)C1
|
CCC)NCCCNC=O)[C@H]C=CCCN6C=O)ccnsn5)))))))))))))C4)))C4
|
[C][C][Branch1][C][C][N][C][C][Branch2][Ring1][P][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C@H1][C][=C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=N][S][N][=Ring1][Branch1][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][=Branch1]
|
N16CC2(CN4C2)C1.[C@H]17C=CCCN15.c18cnsn1.CC6C.C47=O.C58=O
|
CC(c1nc(-c2nnc[nH]2)no1)N1CCC2(CCC2O)CC1
|
CCcnc-cnnc[nH]5)))))no5)))))NCCCCCC4O))))CC6
|
[C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=N][N][=C][NH1][Ring1][Branch1][=N][O][Ring1][#Branch2][N][C][C][C][Branch1][#Branch1][C][C][C][Ring1][Ring2][O][C][C][Ring1][#Branch2]
|
N13CCC2(CCC2O)CC1.c14nc5no1.c15nnc[nH]1.CC34
|
C[C@H]1C[C@H](C(=O)N2CCC(CN(C)c3nnc(C(C)(C)C)o3)CC2)CCS1(=O)=O
|
C[C@H]C[C@H]C=O)NCCCCNC)cnncCC)C)C))o5)))))))CC6)))))))CCS6=O)=O
|
[C][C@H1][C][C@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch1][C][N][Branch1][C][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][=Branch2][C][C][Ring2][Ring1][C][C][C][S][Ring2][Ring1][#Branch2][=Branch1][C][=O][=O]
|
C[C@H]1C[C@H]7CCS1(=O)=O.N14CCC9CC1.c16nnc8o1.C8(C)(C)C.C47=O.N56C.C59
|
C[C@@H]1C[C@H](C(=O)N2CCC(CN(C)c3nnco3)CC2)CCS1(=O)=O
|
C[C@@H]C[C@H]C=O)NCCCCNC)cnnco5)))))))CC6)))))))CCS6=O)=O
|
[C][C@@H1][C][C@H1][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][N][Branch1][C][C][C][=N][N][=C][O][Ring1][Branch1][C][C][Ring1][=C][C][C][S][Ring2][Ring1][=Branch1][=Branch1][C][=O][=O]
|
C[C@@H]1C[C@H]7CCS1(=O)=O.N14CCC8CC1.c16nnco1.C47=O.N56C.C58
|
O=C(Cc1cnoc1)N[C@H]1CCCCCN(C(=O)c2cnc([C@H]3CCOC3)s2)C1
|
O=CCccnoc5))))))N[C@H]CCCCCNC=O)ccnc[C@H]CCOC5)))))s5))))))C8
|
[O][=C][Branch1][=Branch2][C][C][C][=N][O][C][=Ring1][Branch1][N][C@H1][C][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Branch2][C@H1][C][C][O][C][Ring1][Branch1][S][Ring1][#Branch2][C][Ring2][Ring1][Ring2]
|
[C@H]16CCCCCN5C1.c17cnc9s1.c18cnoc1.[C@H]19CCOC1.O=C4C8.C57=O.N46
|
CCCCN=C(NCC(=O)N1CCCC1)NCc1cncc(OC)n1
|
CCCCN=CNCC=O)NCCCC5))))))))NCccnccOC))n6
|
[C][C][C][C][N][=C][Branch1][=C][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][C][C][=C][N][=C][C][Branch1][Ring1][O][C][=N][Ring1][Branch2]
|
CCCCN=C(N4)N5.c16cncc3n1.N12CCCC1.C4C2=O.C56.O3C
|
CCCCN=C(NCC(=O)N1CCCC1)NCc1nc(C)c(C)nc1C
|
CCCCN=CNCC=O)NCCCC5))))))))NCcncC)cC)nc6C
|
[C][C][C][C][N][=C][Branch1][=C][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][C]
|
CCCCN=C(N3)N4.c15nc(C)c(C)nc1C.N12CCCC1.C3C2=O.C45
|
CC(=O)CCN=C(NCC(=O)N1CCCC1)NCc1cnc(C)cn1
|
CC=O)CCN=CNCC=O)NCCCC5))))))))NCccncC)cn6
|
[C][C][=Branch1][C][=O][C][C][N][=C][Branch1][=C][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][C][C][=C][N][=C][Branch1][C][C][C][=N][Ring1][#Branch1]
|
CC(=O)CCN=C(N3)N4.c15cnc(C)cn1.N12CCCC1.C3C2=O.C45
|
CC1(C)CC(=O)N[C@@H]1CNC(=O)COCCNC(=O)C=Cc1cccnc1
|
CCC)CC=O)N[C@@H]5CNC=O)COCCNC=O)C=Cccccnc6
|
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
CC1(C)CC(=O)N[C@@H]19.C=8c1cccnc1.C2(=O)C4.C3(=O)C=8.C5C7.C69.N26.O45.N37
|
Cc1snnc1C(=O)NCc1ccc(C(=O)N2CC3(CO)CCC2CC3)cc1
|
Ccsnnc5C=O)NCccccC=O)NCCCO))CCC6CC6)))))))))cc6
|
[C][C][S][N][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][C][C][C][Ring1][Branch2][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][C]
|
N15CC29CCC1CC2.c1%10ccc8cc1.Cc1snnc17.C47=O.C58=O.N46.C6%10.C9O
|
Cc1ocnc1CNCc1ccc2c(n1)OCCO2
|
Ccocnc5CNCcccccn6)OCCO6
|
[C][C][O][C][=N][C][=Ring1][Branch1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1]
|
c16ccc2c(n1)OCCO2.Cc1ocnc15.C35.N34.C46
|
CC(C)[C@H](NC(=O)[C@@H]1CC2(CCO1)CC2)C(=O)N1CC(NC(=O)C2CC2)C1
|
CCC)[C@H]NC=O)[C@@H]CCCCO6)))CC3)))))))C=O)NCCNC=O)CCC3)))))C4
|
[C][C][Branch1][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C][Branch1][=Branch1][C][C][O][Ring1][=Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring1][#Branch2]
|
[C@@H]18CC2(CCO1)CC2.CC(C)[C@H]6C4=O.N14CC7C1.C38=O.C59=O.C19CC1.N36.N57
|
C#CC[C@@H](NC(=O)[C@H]1CC2(CCO1)CC2)C(=O)N1CC(NC(=O)C2CC2)C1
|
C#CC[C@@H]NC=O)[C@H]CCCCO6)))CC3)))))))C=O)NCCNC=O)CCC3)))))C4
|
[C][#C][C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@H1][C][C][Branch1][=Branch1][C][C][O][Ring1][=Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring1][#Branch2]
|
[C@H]18CC2(CCO1)CC2.C#CC[C@@H]6C4=O.N14CC7C1.C38=O.C59=O.C19CC1.N36.N57
|
CCC[C@@H](NC(=O)[C@@H]1CC2(CCO1)CC2)C(=O)N1CC(NC(=O)C2CC2)C1
|
CCC[C@@H]NC=O)[C@@H]CCCCO6)))CC3)))))))C=O)NCCNC=O)CCC3)))))C4
|
[C][C][C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C][Branch1][=Branch1][C][C][O][Ring1][=Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring1][#Branch2]
|
[C@@H]18CC2(CCO1)CC2.CCC[C@@H]6C4=O.N14CC7C1.C38=O.C59=O.C19CC1.N36.N57
|
CN(C)CC[C@H](NC(=O)[C@@H]1CC2(CCO1)CC2)C(=O)N1CC(NC(=O)C2CC2)C1
|
CNC)CC[C@H]NC=O)[C@@H]CCCCO6)))CC3)))))))C=O)NCCNC=O)CCC3)))))C4
|
[C][N][Branch1][C][C][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C][Branch1][=Branch1][C][C][O][Ring1][=Branch1][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring1][#Branch2]
|
[C@@H]19CC2(CCO1)CC2.C6C[C@H]7C4=O.N14CC8C1.CN6C.C39=O.C5%10=O.C1%10CC1.N37.N58
|
CC1=NOC2(CCN([C@H](C(=O)NCc3cccs3)c3cnc(C)cn3)CC2)C1
|
CC=NOCCCN[C@H]C=O)NCccccs5))))))))ccncC)cn6)))))))CC6)))))C5
|
[C][C][=N][O][C][Branch2][Ring2][#Branch1][C][C][N][Branch2][Ring1][N][C@H1][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][N][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][O]
|
CC1=NOC2(CCN5CC2)C1.c17cnc(C)cn1.[C@H]57C4=O.c18cccs1.N46.C68
|
CS[C@@H](C(=O)N[C@H]1C[C@]2(NC(=O)CC3=CCN(C)CC3)CO[C@H]1C2)C1CC1
|
CS[C@@H]C=O)N[C@H]C[C@]NC=O)CC=CCNC)CC6)))))))))CO[C@H]6C5)))))))))CCC3
|
[C][S][C@@H1][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@H1][C][C@][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][O][C@H1][Ring1][P][C][Ring1][S][C][C][C][Ring1][Ring1]
|
C5(=O)CC1=CCN(C)CC1.[C@H]17C[C@]28CO[C@H]1C2.[C@@H]69C4=O.C19CC1.CS6.N47.N58
|
CCOc1cc(C(=O)NCC2(CNC(=O)CC3CCSCC3)CCOCC2)on1
|
CCOcccC=O)NCCCNC=O)CCCCSCC6))))))))))CCOCC6)))))))))on5
|
[C][C][O][C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][Branch1][S][C][N][C][=Branch1][C][=O][C][C][C][C][S][C][C][Ring1][=Branch1][C][C][O][C][C][Ring1][P][O][N][=Ring2][Ring1][#Branch2]
|
C1%12%13CCOCC1.c18cc%11on1.C15CCSCC1.C6(=O)C5.C4%11=O.CC7.O78.N49.C9%12.C%10%13.N6%10
|
C[C@@H]1CCCC[C@H]1CC(=O)N(C)C[C@H]1CN(c2nc(C3CCCC3)ns2)CCO1
|
C[C@@H]CCCC[C@H]6CC=O)NC)C[C@H]CNcncCCCCC5)))))ns5)))))CCO6
|
[C][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][C][N][Branch1][P][C][=N][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=N][S][Ring1][#Branch2][C][C][O][Ring1][S]
|
C[C@@H]1CCCC[C@H]18.[C@H]17CN6CCO1.c16nc9ns1.C19CCCC1.C8C4=O.N45C.C57
|
C[C@@H](NC(=O)CC1CCCCC1)[C@H]1CN(c2nc(C3CCCC3)ns2)CCO1
|
C[C@@H]NC=O)CCCCCCC6)))))))))[C@H]CNcncCCCCC5)))))ns5)))))CCO6
|
[C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][=Branch1][C@H1][C][N][Branch1][P][C][=N][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=N][S][Ring1][#Branch2][C][C][O][Ring1][S]
|
[C@H]17CN6CCO1.C18CCCCC1.c16nc9ns1.C19CCCC1.C4(=O)C8.C[C@@H]57.N45
|
CN(C[C@@H]1CN(c2nc(C3CCCC3)ns2)CCO1)C(=O)CC1(O)CCCCC1
|
CNC[C@@H]CNcncCCCCC5)))))ns5)))))CCO6)))))))C=O)CCO)CCCCC6
|
[C][N][Branch2][Ring1][N][C][C@@H1][C][N][Branch1][P][C][=N][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=N][S][Ring1][#Branch2][C][C][O][Ring1][S][C][=Branch1][C][=O][C][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1]
|
[C@@H]17CN6CCO1.C18(O)CCCCC1.c16nc9ns1.C19CCCC1.C4(=O)C8.CN45.C57
|
CO[C@H](C(=O)NC[C@@H]1CN(c2nc(C3CCCC3)ns2)CCO1)C1CCCCC1
|
CO[C@H]C=O)NC[C@@H]CNcncCCCCC5)))))ns5)))))CCO6)))))))))CCCCCC6
|
[C][O][C@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch1][P][C][=N][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=N][S][Ring1][#Branch2][C][C][O][Ring1][S][C][C][C][C][C][C][Ring1][=Branch1]
|
[C@@H]18CN7CCO1.c17nc%10ns1.C19CCCCC1.[C@H]59C4=O.C1%10CCCC1.CO5.N46.C68
|
O=C(C[C@@H]1CCCCC1(F)F)NC[C@H]1CN(c2nc(C3CCCC3)ns2)CCO1
|
O=CC[C@@H]CCCCC6F)F))))))))NC[C@H]CNcncCCCCC5)))))ns5)))))CCO6
|
[O][=C][Branch1][=C][C][C@@H1][C][C][C][C][C][Ring1][=Branch1][Branch1][C][F][F][N][C][C@H1][C][N][Branch1][P][C][=N][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=N][S][Ring1][#Branch2][C][C][O][Ring1][S]
|
[C@@H]18CCCCC1(F)F.[C@H]17CN6CCO1.c16nc9ns1.C19CCCC1.O=C4C8.N45.C57
|
CCn1nncc1C(=O)N1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C12CCCC2
|
CCnnncc5C=O)NCC[C@@H]NC=O)CCC=O)NC=O)C6))))))))C5CCCC5
|
[C][C][N][N][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Ring1][Branch2][C][Ring1][S][C][C][C][C][Ring1][Branch1]
|
N13CC[C@@H]5C12CCCC2.C17CC(=O)NC(=O)C1.n18nncc16.C36=O.C47=O.CC8.N45
|
Cc1nn[nH]c1C(=O)N1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C12CCCC2
|
Ccnn[nH]c5C=O)NCC[C@H]NC=O)CCC=O)NC=O)C6))))))))C5CCCC5
|
[C][C][N][=N][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Ring1][Branch2][C][Ring1][S][C][C][C][C][Ring1][Branch1]
|
N13CC[C@H]5C12CCCC2.C17CC(=O)NC(=O)C1.Cc1nn[nH]c16.C36=O.C47=O.N45
|
F[C@@H]1CCC[C@H](CSCC[C@H]2CCC[C@@H](C(F)(F)F)C2)C1
|
F[C@@H]CCC[C@H]CSCC[C@H]CCC[C@@H]CF)F)F))C6))))))))))C6
|
[F][C@@H1][C][C][C][C@H1][Branch2][Ring1][#Branch1][C][S][C][C][C@H1][C][C][C][C@@H1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][C][Ring2][Ring1][Ring2]
|
F[C@@H]1CCC[C@H]5C1.[C@H]16CCC[C@@H]7C1.C7(F)(F)F.C4C6.C35.S34
|
CC1(C)CCC(CCSC[C@H]2CC[C@H](C(=O)OC(C)(C)C)CC2)CC1
|
CCC)CCCCCSC[C@H]CC[C@H]C=O)OCC)C)C))))CC6))))))))))CC6
|
[C][C][Branch1][C][C][C][C][C][Branch2][Ring1][N][C][C][S][C][C@H1][C][C][C@H1][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][C][Ring2][Ring1][Branch2]
|
CC1(C)CCC8CC1.[C@H]19CC[C@H]7CC1.C4(C)(C)C.C8C5.C37=O.S56.C69.O34
|
COC1(CSCCC2CCC(F)(F)CC2)CCC(F)(F)CC1
|
COCCSCCCCCCF)F)CC6))))))))))CCCF)F)CC6
|
[C][O][C][Branch2][Ring1][Ring1][C][S][C][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring2][Ring1][Ring2]
|
C136CCC(F)(F)CC1.C17CCC(F)(F)CC1.C5C7.CO3.C46.S45
|
COC(=O)[C@@H]1CCCC[C@@H]1CSCC[C@H]1CCC[C@@H](C)C1
|
COC=O)[C@@H]CCCC[C@@H]6CSCC[C@H]CCC[C@@H]C)C6
|
[C][O][C][=Branch1][C][=O][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C][S][C][C][C@H1][C][C][C][C@@H1][Branch1][C][C][C][Ring1][#Branch1]
|
[C@@H]15CCCC[C@@H]16.[C@H]17CCC[C@@H](C)C1.C25=O.C4C7.CO2.C36.S34
|
C[C@@H](CSC[C@H]1CCCCC1(F)F)C1CCCCC1
|
C[C@@H]CSC[C@H]CCCCC6F)F))))))))))CCCCCC6
|
[C][C@@H1][Branch1][S][C][S][C][C@H1][C][C][C][C][C][Ring1][=Branch1][Branch1][C][F][F][C][C][C][C][C][C][Ring1][=Branch1]
|
[C@H]15CCCCC1(F)F.C14CCCCC1.C[C@H]4C2.S23.C35
|
C[C@H](CSC[C@@H]1CCCC[C@H]1C)C1CCCCC1
|
C[C@H]CSC[C@@H]CCCC[C@H]6C))))))))))CCCCCC6
|
[C][C@H1][Branch1][=N][C][S][C][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][C][C][C][C][C][C][Ring1][=Branch1]
|
[C@@H]15CCCC[C@H]1C.C14CCCCC1.C[C@@H]4C2.S23.C35
|
COC1(CSC[C@@H](O)C2CCCCC2)CCC(F)(F)CC1
|
COCCSC[C@@H]O)CCCCCC6))))))))))CCCF)F)CC6
|
[C][O][C][Branch1][S][C][S][C][C@@H1][Branch1][C][O][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring2][Ring1][Ring1]
|
C136CCC(F)(F)CC1.C17CCCCC1.C5[C@H]7O.CO3.C46.S45
|
CO[C@@H](CSC[C@H]1CCCC(C)(C)C1)C1CCCCC1
|
CO[C@@H]CSC[C@H]CCCCC)C)C6)))))))))CCCCCC6
|
[C][O][C@@H1][Branch2][Ring1][C][C][S][C][C@H1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][C][C][C][C][Ring1][=Branch1]
|
[C@H]16CCCC(C)(C)C1.C15CCCCC1.[C@@H]25C3.CO2.S34.C46
|
CC1(C)CCC[C@H](CSCCC2(C#N)CCCCC2)C1
|
CCC)CCC[C@H]CSCCCC#N))CCCCC6))))))))))C6
|
[C][C][Branch1][C][C][C][C][C][C@H1][Branch1][P][C][S][C][C][C][Branch1][Ring1][C][#N][C][C][C][C][C][Ring1][Branch2][C][Ring2][Ring1][Ring1]
|
CC1(C)CCC[C@H]5C1.C16(C#N)CCCCC1.C4C6.C35.S34
|
C[C@@H]1CCC[C@H](CCSC[C@H]2CCCC[C@H]2C)C1
|
C[C@@H]CCC[C@H]CCSC[C@H]CCCC[C@H]6C)))))))))))C6
|
[C][C@@H1][C][C][C][C@H1][Branch1][=C][C][C][S][C][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][C][Ring1][P]
|
C[C@@H]1CCC[C@H]5C1.[C@H]16CCCC[C@H]1C.C5C3.S34.C46
|
CC(C)(C)OC(=O)[C@H]1CC[C@H](CSCCC2CCC(F)(F)CC2)CC1
|
CCC)C)OC=O)[C@H]CC[C@H]CSCCCCCCF)F)CC6))))))))))CC6
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][C][C][C@H1][Branch2][Ring1][Ring1][C][S][C][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][C][Ring2][Ring1][C]
|
C19CCC(F)(F)CC1.[C@H]17CC[C@H]8CC1.CC4(C)C.C37=O.C6C9.O34.C58.S56
|
C[C@H](CSC[C@@H]1CCCC(C)(C)C1)C1CCCCC1
|
C[C@H]CSC[C@@H]CCCCC)C)C6)))))))))CCCCCC6
|
[C][C@H1][Branch2][Ring1][C][C][S][C][C@@H1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][C][C][C][C][Ring1][=Branch1]
|
[C@@H]15CCCC(C)(C)C1.C14CCCCC1.C[C@@H]4C2.S23.C35
|
CCC1CCC(CSCC[C@H]2CCC[C@H](C)C2)CC1
|
CCCCCCCSCC[C@H]CCC[C@H]C)C6))))))))))CC6
|
[C][C][C][C][C][C][Branch1][S][C][S][C][C][C@H1][C][C][C][C@H1][Branch1][C][C][C][Ring1][#Branch1][C][C][Ring1][P]
|
C15CCC6CC1.[C@H]17CCC[C@H](C)C1.C4C7.CC5.C36.S34
|
CC1CCC(CSCCC2(C#N)CCCCC2)CC1
|
CCCCCCSCCCC#N))CCCCC6))))))))))CC6
|
[C][C][C][C][C][Branch1][P][C][S][C][C][C][Branch1][Ring1][C][#N][C][C][C][C][C][Ring1][Branch2][C][C][Ring2][Ring1][C]
|
C16(C#N)CCCCC1.CC1CCC5CC1.C4C6.C35.S34
|
CC1(C)CCC[C@H](CCSC[C@@]2(C)CCCC(F)(F)C2)C1
|
CCC)CCC[C@H]CCSC[C@@]C)CCCCF)F)C6))))))))))C6
|
[C][C][Branch1][C][C][C][C][C][C@H1][Branch2][Ring1][=Branch1][C][C][S][C][C@@][Branch1][C][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch2][C][Ring2][Ring1][Ring2]
|
[C@]16(C)CCCC(F)(F)C1.CC1(C)CCC[C@H]5C1.C5C3.S34.C46
|
CO[C@H](CSC[C@@H]1CCC[C@@H](F)C1)C1CCCCC1
|
CO[C@H]CSC[C@@H]CCC[C@@H]F)C6)))))))))CCCCCC6
|
[C][O][C@H1][Branch1][#C][C][S][C][C@@H1][C][C][C][C@@H1][Branch1][C][F][C][Ring1][#Branch1][C][C][C][C][C][C][Ring1][=Branch1]
|
[C@@H]16CCC[C@@H](F)C1.C15CCCCC1.[C@H]25C3.CO2.S34.C46
|
CC1(C)CCC[C@@H](CCSC[C@@H]2CCCC(F)(F)C2)C1
|
CCC)CCC[C@@H]CCSC[C@@H]CCCCF)F)C6))))))))))C6
|
[C][C][Branch1][C][C][C][C][C][C@@H1][Branch2][Ring1][Ring1][C][C][S][C][C@@H1][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][Branch2][C][Ring2][Ring1][Ring1]
|
CC1(C)CCC[C@@H]5C1.[C@@H]16CCCC(F)(F)C1.C5C3.S34.C46
|
C[C@H](CSC[C@H]1CCCC(F)(F)C1)C1CCCCC1
|
C[C@H]CSC[C@H]CCCCF)F)C6)))))))))CCCCCC6
|
[C][C@H1][Branch2][Ring1][C][C][S][C][C@H1][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][Branch2][C][C][C][C][C][C][Ring1][=Branch1]
|
[C@H]15CCCC(F)(F)C1.C14CCCCC1.C[C@@H]4C2.S23.C35
|
COC(=O)[C@@H]1CCCC[C@@H]1CSC[C@@H](OC)C1CCCCC1
|
COC=O)[C@@H]CCCC[C@@H]6CSC[C@@H]OC))CCCCCC6
|
[C][O][C][=Branch1][C][=O][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C][S][C][C@@H1][Branch1][Ring1][O][C][C][C][C][C][C][C][Ring1][=Branch1]
|
[C@@H]16CCCC[C@@H]17.C18CCCCC1.C5[C@@H]38.C26=O.CO2.C47.S45.O3C
|
N#CC1CCC(CSCCC2CCCCC2)CC1
|
N#CCCCCCSCCCCCCCC6))))))))))CC6
|
[N][#C][C][C][C][C][Branch1][=N][C][S][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][S]
|
N#CC1CCC5CC1.C16CCCCC1.C4C6.C35.S34
|
C[C@@H]1CCC[C@H](CCSCC2CCC(O)CC2)C1
|
C[C@@H]CCC[C@H]CCSCCCCCO)CC6))))))))))C6
|
[C][C@@H1][C][C][C][C@H1][Branch1][S][C][C][S][C][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][Ring1][P]
|
C[C@@H]1CCC[C@H]5C1.C16CCC(O)CC1.C5C3.S34.C46
|
O=C(c1ccc(Cn2ccnn2)o1)N1CC[C@@H]1CNC(=O)[C@]12C[C@@H]3C[C@@H]1[C@H]2[C@H]3O
|
O=CccccCnccnn5))))))o5)))))NCC[C@@H]4CNC=O)[C@]C[C@@H]C[C@@H]5[C@H]6[C@H]5O
|
[O][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][N][=N][Ring1][Branch1][O][Ring1][O][N][C][C][C@@H1][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@][C][C@@H1][C][C@@H1][Ring1][Branch1][C@H1][Ring1][=Branch1][C@H1][Ring1][Branch1][O]
|
[C@]128C[C@@H]3C[C@@H]1[C@H]2[C@H]3O.c17ccc%11o1.n19ccnn1.N14CC[C@@H]1%10.O=C47.C58=O.C9%11.C6%10.N56
|
C[C@@H](C(=O)NC1CC(N(C)C(=O)c2cnc(-c3cccs3)s2)C1)c1cncnc1
|
C[C@@H]C=O)NCCCNC)C=O)ccnc-ccccs5)))))s5)))))))C4))))))ccncnc6
|
[C][C@@H1][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][#Branch2][C][Ring2][Ring1][C][C][=C][N][=C][N][=C][Ring1][=Branch1]
|
c18cnc%10s1.c19cncnc1.C[C@H]9C4=O.C16CC7C1.c1%10cccs1.N57C.C58=O.N46
|
O=C1NCCN2CCN(C(=O)CS(=O)(=O)Cc3cccc(Br)c3)C[C@H]12
|
O=CNCCNCCNC=O)CS=O)=O)CcccccBr)c6))))))))))C[C@H]%106
|
[O][=C][N][C][C][N][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C@H1][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2]
|
O=C1NCCN2CCN4C[C@H]12.C4(=O)CS(=O)(=O)C5.c15cccc(Br)c1
|
O=C([C@H](F)CC1CCC1)N1CCOC2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccsc1)C2
|
O=C[C@H]F)CCCCC4))))))NCCOCC6)CNC=O)[C@@H]C[C@H]3cccsc5)))))))))C4
|
[O][=C][Branch1][N][C@H1][Branch1][C][F][C][C][C][C][C][Ring1][Ring2][N][C][C][O][C][Branch1][Ring2][C][Ring1][=Branch1][C][N][Branch1][P][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][#C]
|
N13CCOC2(C1)CN4C2.O=C3[C@H](F)C6.c17ccsc1.C16CCC1.[C@@H]15C[C@H]17.C45=O
|
CC[C@H](CC(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccsc1)C2)C1CCC1
|
CC[C@H]CC=O)NCCOCC6)CNC=O)[C@@H]C[C@H]3cccsc5)))))))))C4))))))))))CCCC4
|
[C][C][C@H1][Branch2][Ring2][#Branch1][C][C][=Branch1][C][=O][N][C][C][O][C][Branch1][Ring2][C][Ring1][=Branch1][C][N][Branch1][P][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][#C][C][C][C][C][Ring1][Ring2]
|
N13CCOC2(C1)CN4C2.CC[C@@H]6CC3=O.c17ccsc1.[C@@H]15C[C@H]17.C16CCC1.C45=O
|
CCOc1cc(NC[C@H](NC(=O)CCc2cccc(OC)n2)C2CC2)ncn1
|
CCOcccNC[C@H]NC=O)CCcccccOC))n6))))))))))CCC3))))))ncn6
|
[C][C][O][C][=C][C][Branch2][Ring1][#C][N][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=N][Ring1][Branch2][C][C][C][Ring1][Ring1][=N][C][=N][Ring2][Ring1][=Branch2]
|
c15cc9ncn1.c1%10cccc6n1.C3(=O)CC%10.C7[C@H]8%11.C1%11CC1.CC4.O45.N79.N38.O6C
|
CCOc1cc(NC[C@@H](C2CC2)N(C)C(=O)CCc2ccccn2)nc(C)n1
|
CCOcccNC[C@@H]CCC3)))NC)C=O)CCcccccn6)))))))))))))ncC)n6
|
[C][C][O][C][=C][C][Branch2][Ring1][=N][N][C][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][Branch1][C][C][=N][Ring2][Ring1][=Branch2]
|
c15cc8nc(C)n1.c19ccccn1.C3(=O)CC9.C6[C@H]7%10.C1%10CC1.N37C.CC4.O45.N68
|
CC(C)Oc1cc(NC[C@](C)(NC(=O)CCc2ccccn2)C2CC2)ncn1
|
CCC)OcccNC[C@]C)NC=O)CCcccccn6))))))))))CCC3))))))ncn6
|
[C][C][Branch1][C][C][O][C][=C][C][Branch2][Ring1][=N][N][C][C@][Branch1][C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=N][Ring2][Ring1][Branch2]
|
c15cc8ncn1.c19ccccn1.C6[C@]7%10C.C3(=O)CC9.CC4C.C1%10CC1.O45.N68.N37
|
Cc1cccnc1CCC(=O)N[C@@H](CNc1cc(O)ncn1)C1CC1
|
Cccccnc6CCC=O)N[C@@H]CNcccO)ncn6))))))))CCC3
|
[C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=C][C][N][C][=C][C][Branch1][C][O][=N][C][=N][Ring1][#Branch1][C][C][C][Ring1][Ring1]
|
Cc1cccnc16.c15cc(O)ncn1.C6CC2=O.[C@@H]37C4.C17CC1.N23.N45
|
CCn1cnnc1[C@@H]1CN(C(=O)[C@@H]2CNC[C@H]2CC(C)C)CCO1
|
CCncnnc5[C@@H]CNC=O)[C@@H]CNC[C@H]5CCC)C)))))))))CCO6
|
[C][C][N][C][=N][N][=C][Ring1][Branch1][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@@H1][C][N][C][C@H1][Ring1][Branch1][C][C][Branch1][C][C][C][C][C][O][Ring1][P]
|
[C@@H]17CN3CCO1.n15cnnc17.[C@@H]14CNC[C@H]16.C6C(C)C.C34=O.CC5
|
COCC[C@]1(C(=O)N2CCO[C@H](c3nncn3C)C2)CCNC1
|
COCC[C@]C=O)NCCO[C@H]cnncn5C))))))C6)))))))CCNC5
|
[C][O][C][C][C@][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][O][C@H1][Branch1][=Branch2][C][=N][N][=C][N][Ring1][Branch1][C][C][Ring1][N][C][C][N][C][Ring2][Ring1][Ring1]
|
N14CCO[C@H]8C1.[C@]167CCNC1.c18nncn1C.C5C7.C46=O.CO5
|
C=C[C@@]1(C(=O)N2CCO[C@H](c3nncn3CC)C2)CCN(C(=O)OC(C)(C)C)C1
|
C=C[C@@]C=O)NCCO[C@H]cnncn5CC)))))))C6)))))))CCNC=O)OCC)C)C))))C5
|
[C][=C][C@@][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][O][C@H1][Branch1][#Branch2][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][=N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][O]
|
C=C[C@@]18CCN6C1.N15CCO[C@H]%10C1.c1%10nncn19.C7(C)(C)C.C58=O.C46=O.C9C.O47
|
CCn1cnnc1[C@@H]1CN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)CCO1
|
CCncnnc5[C@@H]CNC=O)[C@@H]CNC=O)OCC)C)C))))C[C@H]5OC))))))))CCO6
|
[C][C][N][C][=N][N][=C][Ring1][Branch1][C@@H1][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C@H1][Ring1][N][O][C][C][C][O][Ring2][Ring1][=Branch1]
|
[C@@H]1%10CN4CCO1.[C@@H]18CN5C[C@H]17.n19cnnc1%10.C6(C)(C)C.C48=O.C35=O.CC9.O36.O7C
|
CCn1cnnc1[C@@H]1CN(C(=O)[C@]2(COC)CCNC2)CCO1
|
CCncnnc5[C@@H]CNC=O)[C@]COC)))CCNC5))))))CCO6
|
[C][C][N][C][=N][N][=C][Ring1][Branch1][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C@][Branch1][Ring2][C][O][C][C][C][N][C][Ring1][Branch2][C][C][O][Ring1][S]
|
[C@@H]18CN3CCO1.n16cnnc18.[C@@]157CCNC1.C35=O.CC6.C47.O4C
|
CO[C@H]1CNC[C@]1(OC)C(=O)N1CCO[C@@H](c2nncn2C)C1
|
CO[C@H]CNC[C@]5OC))C=O)NCCO[C@@H]cnncn5C))))))C6
|
[C][O][C@H1][C][N][C][C@][Ring1][Branch1][Branch1][Ring1][O][C][C][=Branch1][C][=O][N][C][C][O][C@@H1][Branch1][=Branch2][C][=N][N][=C][N][Ring1][Branch1][C][C][Ring1][N]
|
[C@H]15CNC[C@]146.N13CCO[C@@H]7C1.c17nncn1C.C36=O.CO5.O4C
|
CCn1cnnc1[C@H]1CN(C(=O)[C@@H]2CCNC2(C)C)CCO1
|
CCncnnc5[C@H]CNC=O)[C@@H]CCNC5C)C)))))))CCO6
|
[C][C][N][C][=N][N][=C][Ring1][Branch1][C@H1][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C][C][N][C][Ring1][Branch1][Branch1][C][C][C][C][C][O][Ring1][#C]
|
[C@H]16CN3CCO1.[C@@H]14CCNC1(C)C.n15cnnc16.C34=O.CC5
|
CCn1cnnc1[C@H]1CN(C(=O)[C@H]2CCN(CC(C)C)C2)CCO1
|
CCncnnc5[C@H]CNC=O)[C@H]CCNCCC)C)))C5))))))CCO6
|
[C][C][N][C][=N][N][=C][Ring1][Branch1][C@H1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C@H1][C][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2][C][C][O][Ring1][P]
|
[C@H]17CN3CCO1.n16cnnc17.[C@H]15CCN4C1.C4C(C)C.C35=O.CC6
|
COCC[C@]1(C(=O)N2CCO[C@@H](c3nncn3C)C2)CCNC1
|
COCC[C@]C=O)NCCO[C@@H]cnncn5C))))))C6)))))))CCNC5
|
[C][O][C][C][C@][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][O][C@@H1][Branch1][=Branch2][C][=N][N][=C][N][Ring1][Branch1][C][C][Ring1][N][C][C][N][C][Ring2][Ring1][Ring1]
|
N14CCO[C@@H]8C1.[C@]167CCNC1.c18nncn1C.C5C7.C46=O.CO5
|
Cn1cnnc1[C@H]1CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)CCO1
|
Cncnnc5[C@H]CNC=O)[C@H]CNC=O)OCC)C)C))))CC5C)C)))))))CCO6
|
[C][N][C][=N][N][=C][Ring1][Branch1][C@H1][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C@H1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][N][Branch1][C][C][C][C][C][O][Ring2][Ring1][=Branch1]
|
[C@H]17CN5CC1(C)C.[C@H]18CN4CCO1.Cn1cnnc18.C6(C)(C)C.C47=O.C35=O.O36
|
CCC(=O)N1CC[C@H](C(=O)N2CCO[C@H](c3nncn3C)C2)C1
|
CCC=O)NCC[C@H]C=O)NCCO[C@H]cnncn5C))))))C6)))))))C5
|
[C][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][O][C@H1][Branch1][=Branch2][C][=N][N][=C][N][Ring1][Branch1][C][C][Ring1][N][C][Ring2][Ring1][Ring1]
|
N15CCO[C@H]7C1.N14CC[C@H]6C1.c17nncn1C.CCC4=O.C56=O
|
O=C(C1CCNC1)N1CCOC(c2nnc(C(F)(F)F)[nH]2)C1
|
O=CCCCNC5)))))NCCOCcnncCF)F)F))[nH]5)))))C6
|
[O][=C][Branch1][Branch2][C][C][C][N][C][Ring1][Branch1][N][C][C][O][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][NH1][Ring1][=Branch2][C][Ring1][#C]
|
N13CCOC6C1.c16nnc5[nH]1.C14CCNC1.C5(F)(F)F.O=C34
|
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