SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
[N-]=[N+]=N[C@@H]1CCN(C2CCN(C(=O)c3ccc(Cl)[nH]3)CC2)C1=O
|
[N-]=[N+]=N[C@@H]CCNCCCNC=O)ccccCl)[nH]5))))))CC6))))))C5=O
|
[N-1][=N+1][=N][C@@H1][C][C][N][Branch2][Ring1][=Branch2][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][NH1][Ring1][=Branch1][C][C][Ring1][=C][C][Ring2][Ring1][Ring1][=O]
|
[N-]=[N+]=N[C@@H]1CCN6C1=O.C16CCN4CC1.c15ccc(Cl)[nH]1.C45=O
|
CC[C@H](C(=O)N[C@H](CNC(=O)c1c[nH]c2cccc(C)c12)C1CC1)C(C)(F)F
|
CC[C@H]C=O)N[C@H]CNC=O)cc[nH]cccccC)c96))))))))))))CCC3))))))CC)F)F
|
[C][C][C@H1][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][C][Branch1][C][F][F]
|
c17c[nH]c2cccc(C)c12.CC[C@H](C3=O)C(C)(F)F.[C@H]58C6.C47=O.C18CC1.N35.N46
|
CCc1ccc(C(=O)N(C)CCCNC(=O)CCCS(C)(=O)=O)cc1[N+](=O)[O-]
|
CCccccC=O)NC)CCCNC=O)CCCSC)=O)=O))))))))))))cc6[N+]=O)[O-]
|
[C][C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1]
|
c17ccc6cc1[N+](=O)[O-].C3(=O)CCCS(C)(=O)=O.C4CC5.C26=O.N24C.CC7.N35
|
O=C(C=CC1CCC1)N[C@H]1C[C@@H]2C[C@@H](NC(=O)c3cncc(Br)c3)C[C@@H]2C1
|
O=CC=CCCCC4))))))N[C@H]C[C@@H]C[C@@H]NC=O)ccnccBr)c6))))))))C[C@@H]5C8
|
[O][=C][Branch1][=Branch2][C][=C][C][C][C][C][Ring1][Ring2][N][C@H1][C][C@@H1][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C@@H1][Ring1][#C][C][Ring2][Ring1][C]
|
[C@H]16C[C@@H]2C[C@@H]7C[C@@H]2C1.c18cncc(Br)c1.C=9C1CCC1.O=C4C=9.C58=O.N46.N57
|
COC=CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@H]1CCCN1C(=O)[C@H](O)CCSC
|
COC=CC=O)NCC)C)C=O)N[C@@H]C)[C@H]CCCN5C=O)[C@H]O)CCSC
|
[C][O][C][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][C][S][C]
|
C4(=O)[C@H](O)CC7.COC=CC2=O.C5(C)(C)C3=O.[C@H]18CCCN14.[C@@H]68C.N25.N36.S7C
|
CCCC=C[C@H](O)C(=O)NC[C@@H]1CCCCN1C(=O)c1csc(-c2ccsc2)n1
|
CCCC=C[C@H]O)C=O)NC[C@@H]CCCCN6C=O)ccsc-cccsc5)))))n5
|
[C][C][C][C][=C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][S][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][Ring1][#Branch2]
|
[C@@H]18CCCCN14.C=7[C@H](O)C3=O.c16csc9n1.c19ccsc1.CCCC=7.C46=O.N35.C58
|
O=C(NC[C@H](NC(=O)[C@@H]1C[C@H]1C(F)F)C1CC1)c1cc(F)ccc1C(F)(F)F
|
O=CNC[C@H]NC=O)[C@@H]C[C@H]3CF)F)))))))CCC3))))))cccF)ccc6CF)F)F
|
[O][=C][Branch2][Ring1][#Branch2][N][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][Branch1][C][F][F][C][C][C][Ring1][Ring1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F]
|
c17cc(F)ccc1%10.C4[C@H]58.[C@@H]16C[C@H]19.C%10(F)(F)F.O=C27.C36=O.C9(F)F.C18CC1.N24.N35
|
CN1CCC[C@]12CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C2
|
CNCCC[C@]5CCNCC=O)Ncccc[N+]=O)[O-]))cc6CF)F)F)))))))))))C5
|
[C][N][C][C][C][C@][Ring1][Branch1][C][C][N][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][=Branch1]
|
CN1CCC[C@]12CCN4C2.c15ccc([N+](=O)[O-])cc16.C4C3=O.C6(F)(F)F.N35
|
CCC[C@](C)(CC)NC(=O)/C=C/CC1(NC(=O)c2cc(CO)on2)CCC1
|
CCC[C@]C)CC))NC=O)/C=C/CCNC=O)cccCO))on5)))))))CCC4
|
[C][C][C][C@][Branch1][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][/C][=C][/C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][Branch1][Ring1][C][O][O][N][=Ring1][#Branch1][C][C][C][Ring1][=C]
|
CCC[C@]5(C)CC.c17cc9on1.C16%10CCC1.C3(=O)C=8.C=8C%10.C47=O.N35.N46.C9O
|
C=CC1(C(=O)N[C@H]2CO[C@H]3CN(C(=O)c4ccc(NC)cc4)C[C@@H]23)CC1
|
C=CCC=O)N[C@H]CO[C@H]CNC=O)ccccNC))cc6)))))))C[C@@H]85))))))))))CC3
|
[C][=C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@H1][C][O][C@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][N][C][C][=C][Ring1][Branch2][C][C@@H1][Ring2][Ring1][C][Ring1][#C][C][C][Ring2][Ring1][Branch2]
|
[C@H]18CO[C@H]2CN6C[C@H]21.c1%10ccc7cc1.C=CC19CC1.C59=O.C6%10=O.N58.N7C
|
CC(C)N1CCC(C(=O)NC[C@@]2(F)CCCN(C(=O)c3cnc(O)n3C)C2)CC1
|
CCC)NCCCC=O)NC[C@@]F)CCCNC=O)ccncO)n5C)))))))C6)))))))))CC6
|
[C][C][Branch1][C][C][N][C][C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C@@][Branch1][C][F][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][O][N][Ring1][=Branch1][C][C][Ring1][S][C][C][Ring2][Ring1][#Branch2]
|
[C@]1%10(F)CCCN5C1.N16CCC9CC1.c18cnc(O)n1C.CC6C.C49=O.C58=O.N47.C7%10
|
Cc1[nH]nc(C(=O)N2CCC([C@@H]3CCCN3C(=O)C3C(C)(C)C3(C)C)CC2)c1C
|
Cc[nH]ncC=O)NCCC[C@@H]CCCN5C=O)CCC)C)C3C)C))))))))))CC6)))))))c5C
|
[C][C][NH1][N][=C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch1][Branch1][C][C][C][C][C][Ring2][Ring1][Ring2][C][=Ring2][Ring1][O][C]
|
Cc1[nH]nc6c1C.N14CCC8CC1.C17C(C)(C)C1(C)C.[C@@H]18CCCN15.C46=O.C57=O
|
C[C@@H](CNC(=O)C1Cc2nccnc2C1)CN(C)C(=O)[C@@H](O)c1ccccn1
|
C[C@@H]CNC=O)CCcnccnc6C9))))))))))))CNC)C=O)[C@@H]O)cccccn6
|
[C][C@@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][C][=N][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][=C][C][=C][C][=N][Ring1][=Branch1]
|
C17Cc2nccnc2C1.c18ccccn1.C[C@@H](C5)C6.C4(=O)[C@H]8O.C37=O.N46C.N35
|
O=C(c1ccnn1CC1CC1)N1CCC[C@@H](n2cc(C3CC3)nn2)CC1
|
O=Ccccnn5CCCC3)))))))))NCCC[C@@H]nccCCC3)))nn5)))))CC7
|
[O][=C][Branch1][=C][C][=C][C][=N][N][Ring1][Branch1][C][C][C][C][Ring1][Ring1][N][C][C][C][C@@H1][Branch1][#C][N][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=N][Ring1][Branch2][C][C][Ring1][#C]
|
N14CCC[C@@H]8CC1.c15ccnn16.n18cc9nn1.O=C45.C17CC1.C19CC1.C67
|
COCC(COC)CC(=O)NC[C@]12CCCC[C@@H]1N(C(=O)CSC)CC2
|
COCCCOC)))CC=O)NC[C@]CCCC[C@@H]6NC=O)CSC))))CC9
|
[C][O][C][C][Branch1][Ring2][C][O][C][C][C][=Branch1][C][=O][N][C][C@][C][C][C][C][C@@H1][Ring1][=Branch1][N][Branch1][Branch2][C][=Branch1][C][=O][C][S][C][C][C][Ring1][=C]
|
[C@]129CCCC[C@@H]1N4CC2.C5C(C6)CC3=O.C4(=O)C8.CO5.O6C.N37.C79.S8C
|
CN(Cc1nc[nH]n1)C(=O)CC(C)(C)CNC(=O)[C@H](O)CC(C)(C)C
|
CNCcnc[nH]n5))))))C=O)CCC)C)CNC=O)[C@H]O)CCC)C)C
|
[C][N][Branch1][=Branch2][C][C][N][=C][NH1][N][=Ring1][Branch1][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][C][Branch1][C][C][Branch1][C][C][C]
|
C3(=O)[C@H](O)CC(C)(C)C.C2(=O)CC(C)(C)C5.c16nc[nH]n1.CN24.C46.N35
|
Cc1ccc(C(=O)N2CC(O)(CNC(=O)c3csc4c3CCCC4)C2)nc1C
|
CccccC=O)NCCO)CNC=O)ccscc5CCCC6))))))))))))C4)))))nc6C
|
[C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][C][N][=C][Ring2][Ring1][#Branch2][C]
|
c19csc2c1CCCC2.Cc1ccc8nc1C.N15CC%10(O)C1.C58=O.C69=O.C7%10.N67
|
COc1cc(C(=O)N2CCN(C(=O)Cc3cccc(O)c3F)CC23CCC3)[nH]n1
|
COcccC=O)NCCNC=O)CcccccO)c6F)))))))))CC6CCC4))))))))))[nH]n5
|
[C][O][C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][F][C][C][Ring1][P][C][C][C][Ring1][Ring2][NH1][N][=Ring2][Ring1][O]
|
N14CCN5CC12CCC2.c18cccc(O)c1F.c16cc7[nH]n1.C5(=O)C8.C47=O.CO6
|
CON(CCC(=O)NC(C)(C)C(F)F)C(=O)[C@H]1CN2CCN1CC2
|
CONCCC=O)NCC)C)CF)F)))))))C=O)[C@H]CNCCN6CC6
|
[C][O][N][Branch2][Ring1][Ring2][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][F][F][C][=Branch1][C][=O][C@H1][C][N][C][C][N][Ring1][=Branch1][C][C][Ring1][=Branch1]
|
CON(CCC3=O)C5=O.[C@H]15CN2CCN1CC2.C4(C)(C)C(F)F.N34
|
COC(=O)[C@]1(C(=O)NC[C@@H](NC(=O)C23CC(C2)S(=O)(=O)C3)C(C)(C)C)C[C@@H]1C
|
COC=O)[C@]C=O)NC[C@@H]NC=O)CCCC4)S=O)=O)C5)))))))CC)C)C))))))C[C@@H]3C
|
[C][O][C][=Branch1][C][=O][C@][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][Branch1][Ring2][C][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C@@H1][Ring2][Ring1][#Branch1][C]
|
C12%11CC(C1)S(=O)(=O)C2.C7[C@@H]8C(C)(C)C.[C@@]19%10C[C@@H]1C.C49=O.C5%10=O.C6%11=O.CO4.N57.N68
|
Cc1ccc(CCC(=O)NC[C@](C)(NC(=O)CN2CC[C@@H](C)C2)C(C)C)cc1Cl
|
CccccCCC=O)NC[C@]C)NC=O)CNCC[C@@H]C)C5))))))))CC)C))))))))cc6Cl
|
[C][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][Branch1][P][N][C][=Branch1][C][=O][C][N][C][C][C@@H1][Branch1][C][C][C][Ring1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][O][Cl]
|
Cc1ccc8cc1Cl.C5[C@@]6(C)C(C)C.N17CC[C@@H](C)C1.C8CC3=O.C4(=O)C7.N35.N46
|
CC(C)N(CCCNC(=O)[C@H]1CN2CC3CC2(CO1)C3)C(=O)c1ccoc1Cl
|
CCC)NCCCNC=O)[C@H]CNCCCC5CO9))C4)))))))))))))C=O)cccoc5Cl
|
[C][C][Branch1][C][C][N][Branch2][Ring1][O][C][C][C][N][C][=Branch1][C][=O][C@H1][C][N][C][C][C][C][Ring1][Branch1][Branch1][Branch1][C][O][Ring1][=Branch2][C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][Cl]
|
[C@H]19CN2CC3CC2(CO1)C3.c1%10ccoc1Cl.C7CC8.CC6C.N567.C49=O.C5%10=O.N48
|
N=C(O)OC1CN(N2CCC[C@@H](C(=O)NCC(F)(F)F)C2)C1
|
N=CO)OCCNNCCC[C@@H]C=O)NCCF)F)F)))))C6))))))C4
|
[N][=C][Branch1][C][O][O][C][C][N][Branch2][Ring1][=Branch2][N][C][C][C][C@@H1][Branch1][#C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=C][C][Ring2][Ring1][C]
|
C14CN(N2CCC[C@@H]6C2)C1.C5C(F)(F)F.N=C(O)O4.C36=O.N35
|
COCC[C@H](CNC(=O)c1c(C)csc1C)NC(=O)C[C@H](C)C(F)F
|
COCC[C@H]CNC=O)ccC)csc5C)))))))))NC=O)C[C@H]C)CF)F
|
[C][O][C][C][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][S][C][=Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][Branch1][C][F][F]
|
C3(=O)C[C@H](C)C(F)F.c17c(C)csc1C.C4C[C@@H]5C6.C27=O.CO4.N26.N35
|
N#CC1(C(=O)N2C[C@@H](CNC(=O)[C@@H]3CCCN3c3ccccc3)C(F)(F)C2)CC1
|
N#CCC=O)NC[C@@H]CNC=O)[C@@H]CCCN5cccccc6))))))))))))))CF)F)C5))))))CC3
|
[N][#C][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][C][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][O]
|
N14C[C@@H]%10C(F)(F)C1.[C@@H]18CCCN17.c17ccccc1.N#CC19CC1.C49=O.C58=O.C6%10.N56
|
COC(=O)[C@@H]1C[C@H](NC(=O)N[C@H](C)c2nc(-c3ccccc3)no2)CN1
|
COC=O)[C@@H]C[C@H]NC=O)N[C@H]C)cnc-cccccc6))))))no5)))))))))CN5
|
[C][O][C][=Branch1][C][=O][C@@H1][C][C@H1][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][N][Ring2][Ring1][=Branch1]
|
[C@@H]19C[C@H]8CN1.c1%10nc%11no1.c1%11ccccc1.C49=O.C56=O.[C@H]7%10C.CO4.N58.N67
|
CC(C)Cc1cc(N(CC2CC2)C2CCN(C(=O)[C@H](C)[C@H](C)O)CC2)ncn1
|
CCC)CcccNCCCC3))))CCCNC=O)[C@H]C)[C@H]C)O))))CC6)))))))ncn6
|
[C][C][Branch1][C][C][C][C][=C][C][Branch2][Ring1][P][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@H1][Branch1][C][C][O][C][C][Ring1][=N][=N][C][=N][Ring2][Ring1][Branch2]
|
c17cc5ncn1.C16CCN3CC1.C3(=O)[C@H](C)[C@H](C)O.CC(C)C7.N456.C18CC1.C48
|
COC(=O)[C@H]1CCC[C@@H](C(=O)N2CCC(c3c[nH]c(=N)cc3C)CC2)N1
|
COC=O)[C@H]CCC[C@@H]C=O)NCCCcc[nH]c=N)cc6C)))))))CC6)))))))N6
|
[C][O][C][=Branch1][C][=O][C@H1][C][C][C][C@@H1][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][=C][NH1][C][=Branch1][C][=N][C][=C][Ring1][#Branch1][C][C][C][Ring1][=C][N][Ring2][Ring1][=Branch1]
|
c18c[nH]c(=N)cc1C.[C@H]16CCC[C@@H]7N1.N15CCC8CC1.C46=O.C57=O.CO4
|
CC(C)c1nnc2cc(N[C@H](C)CN(C)C(=O)C3=COCC3)ncn12
|
CCC)cnncccN[C@H]C)CNC)C=O)C=COCC5))))))))))ncn96
|
[C][C][Branch1][C][C][C][=N][N][=C][C][=C][Branch2][Ring1][=Branch1][N][C@H1][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][O][C][C][Ring1][Branch1][N][=C][N][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1]
|
c18nnc2cc7ncn12.C4(=O)C1=COCC1.[C@@H]5(C)C6.CC8C.N46C.N57
|
O=C(c1cccc(-c2cnco2)c1)N1CC[C@H]2[C@@H](CCN2S(=O)(=O)C(Cl)(Cl)Cl)C1
|
O=Cccccc-ccnco5)))))c6))))))NCC[C@H][C@@H]CCN5S=O)=O)CCl)Cl)Cl))))))C6
|
[O][=C][Branch2][Ring1][C][C][=C][C][=C][C][Branch1][Branch2][C][=C][N][=C][O][Ring1][Branch1][=C][Ring1][O][N][C][C][C@H1][C@@H1][Branch2][Ring1][Branch1][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][Ring1][S]
|
N13CC[C@H]2[C@@H](CCN24)C1.c15cccc6c1.S4(=O)(=O)C(Cl)(Cl)Cl.c16cnco1.O=C35
|
Cc1cc(C(=O)NC2(CNC(=O)CP(C)(C)=O)CCC(F)(F)CC2)ncc1Cl
|
CcccC=O)NCCNC=O)CPC)C)=O))))))CCCF)F)CC6))))))))ncc6Cl
|
[C][C][=C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][Branch1][S][C][N][C][=Branch1][C][=O][C][P][Branch1][C][C][Branch1][C][C][=O][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][P][=N][C][=C][Ring2][Ring1][#Branch2][Cl]
|
C158CCC(F)(F)CC1.Cc1cc7ncc1Cl.C4(=O)CP(C)(C)=O.C37=O.N35.C68.N46
|
CCN(CCCNC(=O)[C@@H]1COCCN1CC)C(=O)C#CC1CCCC1
|
CCNCCCNC=O)[C@@H]COCCN6CC)))))))))))))C=O)C#CCCCCC5
|
[C][C][N][Branch2][Ring1][Ring1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][C][C][=Branch1][C][=O][C][#C][C][C][C][C][C][Ring1][Branch1]
|
C3(=O)C#CC1CCCC1.[C@@H]18COCCN17.C5CC6.N345.C28=O.CC4.N26.C7C
|
CCn1cc(Cl)c(C(=O)N(CCOC)C2CCN(C(=O)[C@]3(C)CCCS3)CC2)n1
|
CCnccCl)cC=O)NCCOC))))CCCNC=O)[C@]C)CCCS5))))))CC6))))))))n5
|
[C][C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][O][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][S][Ring1][=Branch1][C][C][Ring1][=C][=N][Ring2][Ring1][O]
|
n1%11cc(Cl)c%10n1.C18CCN5CC1.[C@@]19(C)CCCS1.C4%10=O.N478.C7C6.C59=O.CC%11.O6C
|
COCCCC(=O)N1CCC[C@H]([C@@H](C)C(=O)N2CC3(CC3)C2)C1
|
COCCCC=O)NCCC[C@H][C@@H]C)C=O)NCCCC3))C4))))))C6
|
[C][O][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][Branch1][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][=Branch1][C][Ring1][S]
|
N14CCC[C@H]7C1.C6CCC4=O.N15CC2(CC2)C1.[C@H]7(C)C5=O.CO6
|
O=C(COCCF)N1C[C@H]2CC[C@H]1CN2C(=O)c1ncncc1Cl
|
O=CCOCCF)))))NC[C@H]CC[C@H]6CN6C=O)cncncc6Cl
|
[O][=C][Branch1][=Branch1][C][O][C][C][F][N][C][C@H1][C][C][C@H1][Ring1][=Branch1][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][C][=N][C][=C][Ring1][=Branch1][Cl]
|
N13C[C@H]2CC[C@H]1CN24.c17ncncc1Cl.O=C3C5.C6CF.C47=O.O56
|
CC1=NO[C@H](C(=O)N2CC3(CCC3)C[C@@H]2CNC(=O)c2cccc3ccnn23)C1
|
CC=NO[C@H]C=O)NCCCCC4)))C[C@@H]5CNC=O)cccccccnn95))))))))))))))))))C5
|
[C][C][=N][O][C@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][C@@H1][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=N][N][Ring1][=Branch2][Ring1][Branch1][C][Ring2][Ring1][N]
|
N14CC2(CCC2)C[C@@H]19.c18cccc2ccnn12.CC1=NO[C@H]7C1.C47=O.C58=O.C69.N56
|
CC(C)(C)/C=C/C(=O)NC[C@H]1CCC2(CN(C(=O)C3(C(N)=O)CC3)C2)O1
|
CCC)C)/C=C/C=O)NC[C@H]CCCCNC=O)CCN)=O))CC3))))C4)))O5
|
[C][C][Branch1][C][C][Branch1][C][C][/C][=C][/C][=Branch1][C][=O][N][C][C@H1][C][C][C][Branch2][Ring1][Branch2][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch1][C][Ring1][N][O][Ring1][S]
|
[C@H]1%10CCC2(CN5C2)O1.CC(C)(C)C=9.C=9C4=O.C178CC1.C57=O.C8(N)=O.N46.C6%10
|
C=CCO[C@H](C)C(=O)N[C@@]12CCOC[C@@H]1CN(C(=O)c1ncccc1C1CC1)C2
|
C=CCO[C@H]C)C=O)N[C@@]CCOC[C@@H]6CNC=O)cncccc6CCC3))))))))))C9
|
[C][=C][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@][C][C][O][C][C@@H1][Ring1][=Branch1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][Ring2]
|
[C@@]127CCOC[C@@H]1CN4C2.c18ncccc19.[C@@H]6(C)C3=O.C=CC5.C48=O.C19CC1.O56.N37
|
CC[C@H]1CCCC[C@H]1C(=O)N[C@]1(C)C[C@@H](NC(=O)CSC(F)(F)F)C1
|
CC[C@H]CCCC[C@H]6C=O)N[C@]C)C[C@@H]NC=O)CSCF)F)F))))))C4
|
[C][C][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C@][Branch1][C][C][C][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C][S][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=C]
|
[C@H]18CCCC[C@H]17.[C@]14(C)C[C@H]6C1.S5C(F)(F)F.C3(=O)C5.C27=O.CC8.N24.N36
|
Cn1ncc(C(=O)N2CC3(C2)CN(C(=O)c2cc4ccccn4n2)C[C@@H]3CO)n1
|
CnnccC=O)NCCC4)CNC=O)cccccccn6n9))))))))))C[C@@H]5CO))))))))))n5
|
[C][N][N][=C][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][Branch1][Ring2][C][Ring1][Ring2][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2][C][C@@H1][Ring1][P][C][O][=N][Ring2][Ring1][N]
|
N15CC2(C1)CN6C[C@@H]29.c18cc2ccccn2n1.Cn1ncc7n1.C57=O.C68=O.C9O
|
CCCN(C)CC(=O)NC1CC(F)(CNC(=O)[C@H](C)CN2CCCCC2)C1
|
CCCNC)CC=O)NCCCF)CNC=O)[C@H]C)CNCCCCC6)))))))))))C4
|
[C][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][C]
|
C19CC%10(F)C1.C4(=O)[C@H](C)C8.N18CCCCC1.C6C3=O.CCC5.N56C.N39.C7%10.N47
|
Cc1ccccc1CC1(O)CCN(C(=O)[C@H](C)n2cc([C@@H](C)O)nn2)CC1
|
Ccccccc6CCO)CCNC=O)[C@H]C)ncc[C@@H]C)O))nn5)))))))CC6
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][O][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=C][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][=N][Ring1][Branch2][C][C][Ring2][Ring1][Ring1]
|
C16(O)CCN3CC1.Cc1ccccc17.n14cc5nn1.C3(=O)[C@@H]4C.[C@H]5(C)O.C67
|
CCC1(C(=O)N2CCC[C@H]([C@H](C)NC(=O)[C@H]3C[C@H](C#N)C3)C2)CCCC1
|
CCCC=O)NCCC[C@H][C@H]C)NC=O)[C@H]C[C@H]C#N))C4)))))))C6)))))))CCCC5
|
[C][C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][Ring2][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][C@H1][Branch1][Ring1][C][#N][C][Ring1][=Branch1][C][Ring1][P][C][C][C][C][Ring2][Ring1][Branch2]
|
N14CCC[C@H]%10C1.C179CCCC1.[C@H]18C[C@H](C#N)C1.C47=O.[C@@H]6%10C.C58=O.CC9.N56
|
C=Cn1nncc1C(=O)N1CCO[C@H](CCNC(=O)C2CSC2)C1
|
C=Cnnncc5C=O)NCCO[C@H]CCNC=O)CCSC4))))))))C6
|
[C][=C][N][N][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C@H1][Branch1][=C][C][C][N][C][=Branch1][C][=O][C][C][S][C][Ring1][Ring2][C][Ring1][#C]
|
C=Cn1nncc16.N13CCO[C@H]8C1.C17CSC1.C36=O.C8C5.C47=O.N45
|
CN(CC(=O)N[C@H]1CCCC[C@H]1NC(=O)C(F)(F)C1CC1)C(N)=O
|
CNCC=O)N[C@H]CCCC[C@H]6NC=O)CF)F)CCC3)))))))))))))))CN)=O
|
[C][N][Branch2][Ring1][S][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][C][C][Ring1][Ring1][C][Branch1][C][N][=O]
|
[C@H]16CCCC[C@H]17.C3(=O)C8(F)F.C5C2=O.CN45.C18CC1.C4(N)=O.N26.N37
|
Cc1onc(CO)c1C(=O)NC[C@H]1CCN1C(=O)[C@@H]1C[C@H](F)C(=O)N1
|
CconcCO))c5C=O)NC[C@H]CCN4C=O)[C@@H]C[C@H]F)C=O)N5
|
[C][C][O][N][=C][Branch1][Ring1][C][O][C][=Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C@@H1][C][C@H1][Branch1][C][F][C][=Branch1][C][=O][N][Ring1][#Branch1]
|
Cc1onc8c16.[C@@H]15C[C@H](F)C(=O)N1.[C@H]17CCN13.C26=O.C35=O.C8O.N24.C47
|
CC1CCC(=CC(=O)N[C@H](CC2CCC2)C(=O)N[C@H](C(N)=O)C2CCCC2)CC1
|
CCCCC=CC=O)N[C@H]CCCCC4)))))C=O)N[C@H]CN)=O))CCCCC5))))))))))))CC6
|
[C][C][C][C][C][=Branch2][Ring2][Branch1][=C][C][=Branch1][C][=O][N][C@H1][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][C][C][C][Ring1][Branch1][C][C][Ring2][Ring1][N]
|
CC1CCC=7CC1.[C@@H]5(C8)C4=O.[C@H]69C(N)=O.C19CCCC1.C=7C3=O.C18CCC1.N35.N46
|
Cc1c(CC(=O)NC[C@H]2C[C@@](F)(CNC(=O)[C@@H]3C[C@@H]3Cl)C2)sc2ccccc12
|
CccCC=O)NC[C@H]C[C@@]F)CNC=O)[C@@H]C[C@@H]3Cl)))))))C4))))))))scccccc96
|
[C][C][=C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][C@H1][C][C@@][Branch1][C][F][Branch1][=N][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Ring1][Ring1][Cl][C][Ring1][=N][S][C][=C][C][=C][C][=C][Ring2][Ring1][O][Ring1][=Branch1]
|
Cc1c9sc2ccccc12.[C@H]1%10C[C@]%11(F)C1.C9C4=O.[C@@H]18C[C@@H]1Cl.C58=O.N46.C6%10.C7%11.N57
|
COCC=CC(=O)N[C@@H]1[C@H]2CCN(C(=O)c3cc(Cl)cc(Br)c3)[C@H]21
|
COCC=CC=O)N[C@@H][C@H]CCNC=O)cccCl)ccBr)c6)))))))[C@H]56
|
[C][O][C][C][=C][C][=Branch1][C][=O][N][C@@H1][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Br][=C][Ring1][Branch2][C@H1][Ring1][#C][Ring1][S]
|
c18cc(Cl)cc(Br)c1.[C@@H]17[C@H]2CCN5[C@@H]12.C=9C4=O.C6C=9.C58=O.CO6.N47
|
CC(C)(C)[C@H](O)C(=O)N1CCC(C)(C)[C@@H]1C(=O)Nc1cnc(O)c(F)c1
|
CCC)C)[C@H]O)C=O)NCCCC)C)[C@@H]5C=O)NccncO)cF)c6
|
[C][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][N][=C][Branch1][C][O][C][Branch1][C][F][=C][Ring1][Branch2]
|
CC(C)(C)[C@H](O)C2=O.N12CCC(C)(C)[C@@H]15.c14cnc(O)c(F)c1.C35=O.N34
|
O=C(NCc1ocnc1C(=O)NC[C@H]1C=CCOC1)c1ccc(O)cn1
|
O=CNCcocnc5C=O)NC[C@H]C=CCOC6))))))))))))))))ccccO)cn6
|
[O][=C][Branch2][Ring1][Branch2][N][C][C][O][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][C][=C][C][O][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][=N][Ring1][#Branch1]
|
c16ccc(O)cn1.c18ocnc17.[C@H]19C=CCOC1.O=C26.C37=O.N24.C48.N35.C59
|
Cc1nccc(C(=O)N[C@H](C(=O)NCCC(F)(F)CO)C2CCC2)n1
|
CcncccC=O)N[C@H]C=O)NCCCF)F)CO)))))))CCCC4)))))))n6
|
[C][C][=N][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@H1][Branch1][P][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][C][F][C][O][C][C][C][C][Ring1][Ring2][=N][Ring2][Ring1][Branch2]
|
Cc1nccc7n1.C6CC(F)(F)CO.[C@H]58C4=O.C18CCC1.C37=O.N35.N46
|
C[C@H](C(=O)N1CCC2(CC1)C[C@H]2NC(=O)c1ccsn1)c1ccn(C)n1
|
C[C@H]C=O)NCCCCC6))C[C@H]3NC=O)cccsn5))))))))))))))cccnC)n5
|
[C][C@H1][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][S][N][=Ring1][Branch1][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1]
|
N13CCC2(CC1)C[C@H]25.c17ccn(C)n1.C[C@@H]7C3=O.c16ccsn1.C46=O.N45
|
CP(C)(=O)CC(=O)N[C@H]1CCN(C(=O)c2nc(=N)cc[nH]2)C[C@H]1O
|
CPC)=O)CC=O)N[C@H]CCNC=O)cnc=N)cc[nH]6)))))))C[C@H]6O
|
[C][P][Branch1][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=N][C][=Branch1][C][=N][C][=C][NH1][Ring1][#Branch1][C][C@H1][Ring1][#C][O]
|
[C@H]15CCN4C[C@H]1O.CP(C)(=O)CC3=O.c16nc(=N)cc[nH]1.C46=O.N35
|
Cc1ccc(Cl)cc1-c1cn(CCOCCNC(=O)CCCOC(C)C)nn1
|
CccccCl)cc6-ccnCCOCCNC=O)CCCOCC)C)))))))))))))nn5
|
[C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][N][Branch2][Ring1][Ring2][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][C][O][C][Branch1][C][C][C][N][=N][Ring2][Ring1][Ring2]
|
Cc1ccc(Cl)cc19.c19cn8nn1.C2(=O)CCC5.C8C3.C4C7.C6(C)C.O34.N27.O56
|
Cc1cccc2oc(N(C)[C@@H]3CCCN(C(=O)CN(C)C(N)=O)C3)nc12
|
CcccccocNC)[C@@H]CCCNC=O)CNC)CN)=O)))))C6)))))))nc95
|
[C][C][=C][C][=C][C][O][C][Branch2][Ring1][=N][N][Branch1][C][C][C@@H1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][N][Branch1][C][C][C][Branch1][C][N][=O][C][Ring1][=C][=N][C][Ring2][Ring1][=Branch2][=Ring2][Ring1][Branch1]
|
Cc1cccc2oc7nc12.[C@@H]18CCCN4C1.C4(=O)C6.N78C.N56C.C5(N)=O
|
COCCN(CCO)C(=O)c1sc(COc2ccc(Cl)cc2)nc1C
|
COCCNCCO)))C=O)cscCOccccCl)cc6))))))))nc5C
|
[C][O][C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=Ring1][=C][C]
|
c19sc%10nc1C.c16ccc(Cl)cc1.C4C7.N378.C8CO.C39=O.CO4.C5%10.O56
|
COCC1(CCNC(=O)[C@]2(C)CN(C(=O)c3csc(CO)n3)C[C@H]2C)CCC1
|
COCCCCNC=O)[C@]C)CNC=O)ccscCO))n5))))))C[C@H]5C))))))))))CCC4
|
[C][O][C][C][Branch2][Ring2][Ring2][C][C][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][S][C][Branch1][Ring1][C][O][=N][Ring1][#Branch1][C][C@H1][Ring1][#C][C][C][C][C][Ring2][Ring1][=Branch2]
|
[C@@]19(C)CN5C[C@H]1C.c18csc%10n1.C1%11%12CCC1.C%12C7.C49=O.C58=O.CO6.C6%11.N47.C%10O
|
Fc1ccc(CN[C@@H]2CCCOc3c(Cl)cccc32)c(F)c1
|
FccccCN[C@@H]CCCOccCl)cccc6%11)))))))))))))cF)c6
|
[F][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C@@H1][C][C][C][O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Ring1][N][C][Branch1][C][F][=C][Ring2][Ring1][Branch1]
|
N4[C@@H]1CCCOc2c(Cl)cccc21.Fc1ccc5c(F)c1.C45
|
Cc1coc(NC(=O)[C@@H]2CCC[C@@]23CCN(C(=O)c2cc(Br)c(Cl)cc2F)C3)n1
|
CccocNC=O)[C@@H]CCC[C@@]5CCNC=O)cccBr)cCl)cc6F))))))))C5)))))))))))n5
|
[C][C][=C][O][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][C@@][Ring1][Branch1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][F][C][Ring1][S][=N][Ring2][Ring1][N]
|
[C@@H]17CCC[C@@]12CCN5C2.c18cc(Br)c(Cl)cc1F.Cc1coc6n1.C47=O.C58=O.N46
|
COCC[C@@]1(NC(=O)[C@H]2C[C@H](O)C2)CCN(C(=O)C[C@H]2CCn3cncc3C2)C1
|
COCC[C@@]NC=O)[C@H]C[C@H]O)C4))))))CCNC=O)C[C@H]CCncncc5C9)))))))))))C5
|
[C][O][C][C][C@@][Branch1][#C][N][C][=Branch1][C][=O][C@H1][C][C@H1][Branch1][C][O][C][Ring1][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C@H1][C][C][N][C][=N][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring2][Ring1][=Branch2]
|
[C@H]1%10CCn2cncc2C1.[C@@]179CCN5C1.[C@H]18C[C@H](O)C1.C5(=O)C%10.C6C9.C48=O.CO6.N47
|
CCSCC(=O)N1CCC2(CC1)C[C@@H]2C(=O)NC1(c2ccccc2)CC1
|
CCSCC=O)NCCCCC6))C[C@@H]3C=O)NCcccccc6))))))CC3
|
[C][C][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2]
|
N13CCC2(CC1)C[C@@H]28.c19ccccc1.C7C3=O.C159CC1.C48=O.CC6.S67.N45
|
Cc1nc(O)[nH]c1C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2C#N)[C@H](C)C1
|
CcncO)[nH]c5C=O)N[C@H]CCNC=O)CCcccccc6C#N)))))))))))[C@H]C)C6
|
[C][C][N][=C][Branch1][C][O][NH1][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C@H1][Branch1][C][C][C][Ring2][Ring1][Ring1]
|
[C@H]15CCN4[C@H](C)C1.c17ccccc1C#N.Cc1nc(O)[nH]c16.C4(=O)CC7.C36=O.N35
|
O=C(CNc1ccc(Cl)cc1)N[C@H]1CC[C@H](NC(=O)c2cnc3n2CCS3)CC1
|
O=CCNccccCl)cc6))))))))N[C@H]CC[C@H]NC=O)ccncn5CCS5))))))))))CC6
|
[O][=C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C@H1][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][N][=C][N][Ring1][Branch1][C][C][S][Ring1][Branch1][C][C][Ring1][P]
|
c1%10cnc2n1CCS2.c17ccc(Cl)cc1.[C@H]18CC[C@H]9CC1.O=C4C6.C5%10=O.N67.N48.N59
|
OCC1(CN=c2[nH]c(=NC3CSCCSC3)c3ncccc3[nH]2)C[C@@H]2C[C@H]2C1
|
OCCCN=c[nH]c=NCCSCCSC7))))))))cncccc6[nH]%10))))))))))))C[C@@H]C[C@H]3C6
|
[O][C][C][Branch2][Ring1][=C][C][N][=C][NH1][C][=Branch1][O][=N][C][C][S][C][C][S][C][Ring1][#Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][Ring2][Ring1][C][C][C@@H1][C][C@H1][Ring1][Ring1][C][Ring2][Ring1][#Branch2]
|
C5N=c1[nH]c(=NC2CSCCSC2)c2ncccc2[nH]1.C145C[C@@H]2C[C@H]2C1.OC4
|
C=C1C[C@@H](C(=O)Nc2ccn3ccnc3c2)N(C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1
|
C=CC[C@@H]C=O)Ncccnccnc5c9)))))))))))NC=O)[C@H]CC[C@H]CC)C))CC6)))))))C5
|
[C][=C][C][C@@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][N][C][=C][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C@H1][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][C][Ring2][Ring1][N]
|
c16ccn2ccnc2c1.C=C1C[C@@H]7N5C1.[C@H]18CC[C@H]9CC1.C47=O.C58=O.C9(C)C.N46
|
COc1ccnc(C(=O)N2C[C@H](F)[C@H](NC(=O)C3(CO)CC3)C2)c1O
|
COcccncC=O)NC[C@H]F)[C@H]NC=O)CCO))CC3)))))C5))))))c6O
|
[C][O][C][=C][C][=N][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][F][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][C][C][Ring1][Branch1][C][Ring1][=C][=C][Ring2][Ring1][=Branch1][O]
|
c16ccnc8c1O.N14C[C@@H]7[C@@H](F)C1.C19%10CC1.C48=O.C59=O.CO6.N57.C%10O
|
Cc1ccc2cccc(C(=O)N3CCCC[C@@H]3CN(C)C(=O)C=CCF)c2n1
|
CccccccccC=O)NCCCC[C@@H]6CNC)C=O)C=CCF))))))))))))))c6n%10
|
[C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][F][C][Ring2][Ring1][#Branch1][=N][Ring2][Ring1][O]
|
Cc1ccc2cccc7c2n1.N14CCCC[C@@H]19.C5(=O)C=8.C47=O.N56C.C=8CF.C69
|
CC[C@](C)(CO)C(=O)N[C@@H](C)CC1CN(C(=O)c2ccsc2SC)C1
|
CC[C@]C)CO))C=O)N[C@@H]C)CCCNC=O)cccsc5SC))))))))C4
|
[C][C][C@][Branch1][C][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][S][C][C][Ring1][=N]
|
CC[C@](C)(CO)C3=O.c16ccsc18.C17CN4C1.[C@H]5(C)C7.C46=O.N35.S8C
|
C=CCCOCC(=O)N[C@H]1CCC[C@H](N(C)C(=O)c2cc(Br)cs2)C1
|
C=CCCOCC=O)N[C@H]CCC[C@H]NC)C=O)cccBr)cs5)))))))C6
|
[C][=C][C][C][O][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C@H1][Branch2][Ring1][Ring1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][S][Ring1][=Branch1][C][Ring1][S]
|
[C@H]17CCC[C@H]8C1.c19cc(Br)cs1.C=CCC5.C6C3=O.N48C.C49=O.O56.N37
|
Cc1sc(C(=O)N2CCN(C(=O)CCN(C)C)[C@@H](C(C)C)C2)cc1Br
|
CcscC=O)NCCNC=O)CCNC)C)))))[C@@H]CC)C))C6)))))))cc5Br
|
[C][C][S][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][S][=C][C][=Ring2][Ring1][#Branch1][Br]
|
N13CCN4[C@@H]7C1.Cc1sc6cc1Br.C4(=O)CC5.C36=O.N5(C)C.C7(C)C
|
O=C(C[C@@H]1CCN(CCCCF)C1)N[C@H]1CC[C@@H](C(=O)O)CC1
|
O=CC[C@@H]CCNCCCCF)))))C5))))))N[C@H]CC[C@@H]C=O)O))CC6
|
[O][=C][Branch1][S][C][C@@H1][C][C][N][Branch1][=Branch1][C][C][C][C][F][C][Ring1][#Branch2][N][C@H1][C][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2]
|
[C@H]14CC[C@@H]5CC1.[C@@H]16CCN3C1.C3CCCF.O=C2C6.C5(=O)O.N24
|
Cc1cc(F)ccc1C(=O)N[C@H](C)CC1CN(C(=O)C(C)(C)NS(C)(=O)=O)C1
|
CcccF)ccc6C=O)N[C@H]C)CCCNC=O)CC)C)NSC)=O)=O)))))C4
|
[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][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][=C]
|
Cc1cc(F)ccc17.C3(=O)C5(C)C.C18CN3C1.[C@@H]4(C)C8.S6(C)(=O)=O.C27=O.N24.N56
|
CCOCC(C)(C)NC(=O)CC[C@@H](C)NC(=O)c1ccc(F)c(O)c1
|
CCOCCC)C)NC=O)CC[C@@H]C)NC=O)ccccF)cO)c6
|
[C][C][O][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][Branch2]
|
c18ccc(F)c(O)c1.C2(=O)CC[C@H]7C.C5C6(C)C.C38=O.CC4.O45.N26.N37
|
CN(C)C(=O)C1(C(=O)N2C[C@@H]3C[C@]3(CNC(=O)[C@H]3CC34CCCC4)C2)CC1
|
CNC)C=O)CC=O)NC[C@@H]C[C@]3CNC=O)[C@H]CC3CCCC5))))))))))C6)))))))CC3
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C@@H1][C][C@][Ring1][Ring1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][Ring1][Ring1][C][C][C][C][Ring1][Branch1][C][Ring1][P][C][C][Ring2][Ring1][=Branch1]
|
N16C[C@@H]2C[C@]2%12C1.[C@H]1%11CC12CCCC2.C19%10CC1.CN5C.C59=O.C6%10=O.C7%11=O.C8%12.N78
|
Cc1nc2cccnn2c1C(=O)N(C)Cc1cn(C2CCCCC2)nn1
|
Ccnccccnn6c9C=O)NC)CccnCCCCCC6))))))nn5
|
[C][C][N][=C][C][=C][C][=N][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][=N][Ring1][O]
|
Cc1nc2cccnn2c15.c16cn7nn1.C17CCCCC1.C35=O.N34C.C46
|
CC=C(C)C(=O)N1CCC(N(C)C(=O)[C@H]2Oc3ccccc3O[C@H]2C)CC1
|
CC=CC)C=O)NCCCNC)C=O)[C@H]Occcccc6O[C@H]%10C)))))))))))))CC6
|
[C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][Ring1][#Branch2][C][C][C][Ring2][Ring1][Branch1]
|
[C@H]17Oc2ccccc2O[C@H]1C.N14CCC6CC1.C=8(C)C4=O.N56C.C57=O.CC=8
|
CCc1[nH]c(=N)sc1C(=O)N[C@@H](CNC(=O)[C@@H]1CCC[C@H](OC)C1)COC
|
CCc[nH]c=N)sc5C=O)N[C@@H]CNC=O)[C@@H]CCC[C@H]OC))C6)))))))))COC
|
[C][C][C][NH1][C][=Branch1][C][=N][S][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][C@H1][Branch1][Ring1][O][C][C][Ring1][Branch2][C][O][C]
|
c1%10[nH]c(=N)sc18.[C@@H]19CCC[C@H]5C1.[C@@H]6(C4)C7.C28=O.C39=O.CC%10.N26.N37.O5C.O4C
|
CO[C@H](C)C(=O)Nc1cnn(C2CN(C(=O)c3c(Br)cc(F)c(Cl)c3F)C2)c1
|
CO[C@H]C)C=O)NccnnCCNC=O)ccBr)ccF)cCl)c6F))))))))C4))))c5
|
[C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=N][N][Branch2][Ring1][S][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][Br][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][=Branch2][F][C][Ring1][S][C][=Ring2][Ring1][Branch1]
|
c18c(Br)cc(F)c(Cl)c1F.c17cnn9c1.[C@@H]6(C)C4=O.C19CN5C1.C58=O.CO6.N47
|
C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@](C)(NC(=O)c2cc3nc(=O)ccn3[nH]2)C1
|
C[C@@H]Cccnc[nH]5))))))C=O)NCC[C@]C)NC=O)cccnc=O)ccn6[nH]9)))))))))))C5
|
[C][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][=Branch1][C][=O][C][=C][N][Ring1][#Branch1][NH1][Ring1][#Branch2][C][Ring2][Ring1][Ring1]
|
c17cc2nc(=O)ccn2[nH]1.N14CC[C@@]6(C)C1.C[C@@H](C8)C4=O.c18cnc[nH]1.C57=O.N56
|
CCn1ccc(CC(=O)N2CCOC[C@H]2C(=O)N2CCC[C@@H](CCO)C2)n1
|
CCncccCC=O)NCCOC[C@H]6C=O)NCCC[C@@H]CCO)))C6)))))))))))))))n5
|
[C][C][N][C][=C][C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][Ring2][C][C][O][C][Ring1][=Branch2][=N][Ring2][Ring1][=Branch2]
|
N13CCOC[C@H]15.N14CCC[C@@H]8C1.n16ccc7n1.C7C3=O.C45=O.C8CO.CC6
|
CCc1nc(C)c(C(=O)NCCC2CC(NC(=O)c3cc(CF)on3)C2)o1
|
CCcncC)cC=O)NCCCCCNC=O)cccCF))on5)))))))C4))))))))o5
|
[C][C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][Branch1][Ring1][C][F][O][N][=Ring1][#Branch1][C][Ring1][=C][O][Ring2][Ring1][=Branch2]
|
c1%10nc(C)c8o1.c19cc%11on1.C1%12CC7C1.C48=O.C6C%12.C59=O.CC%10.N46.N57.C%11F
|
Cc1nc(CN(C)C(=O)[C@@H]2CCN(C(=O)CC3(N(C)C)CC3)C23CCC3)no1
|
CcncCNC)C=O)[C@@H]CCNC=O)CCNC)C))CC3)))))C5CCC4)))))))))))no5
|
[C][C][=N][C][Branch2][Ring2][#Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=C][C][C][C][Ring1][Ring2][=N][O][Ring2][Ring1][O]
|
[C@@H]18CCN5C12CCC2.Cc1nc9no1.C5(=O)C%10.C17%10CC1.N46C.C48=O.N7(C)C.C69
|
C#CCC[C@@H](O)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H](NC(=O)CN(C)c2ccccc2)C1
|
C#CCC[C@@H]O)C=O)NC[C@@H]CCC[C@@H]5[C@H]NC=O)CNC)cccccc6))))))))))C9
|
[C][#C][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C@@H1][Ring1][Branch1][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1]
|
N13C[C@@H]2CCC[C@@H]2[C@H]7C1.C#CCC[C@@H](O)C3=O.c16ccccc1.C4(=O)C5.N56C.N47
|
CC(=O)c1cc(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(Cl)nc2C)ccc1O
|
CC=O)cccC=O)NC[C@H]CCCN5C=O)ccccCl)nc6C))))))))))))))))ccc6O
|
[C][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][C][=C][C][=C][Ring2][Ring1][=Branch2][O]
|
c16cc7ccc1O.c18ccc(Cl)nc1C.[C@H]19CCCN14.CC6=O.C37=O.C48=O.N35.C59
|
CC(C)(NC(=O)[C@H]1CCN1C(=O)C[C@@H]1CC=CCC1)c1nc[nH]n1
|
CCC)NC=O)[C@H]CCN4C=O)C[C@@H]CC=CCC6))))))))))))))cnc[nH]n5
|
[C][C][Branch1][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][C@@H1][C][C][=C][C][C][Ring1][=Branch1][C][N][=C][NH1][N][=Ring1][Branch1]
|
[C@@H]17CC=CCC1.[C@H]15CCN13.c16nc[nH]n1.CC46C.C3(=O)C7.C25=O.N24
|
C[C@@H]1CCN(C(=O)Cc2cccc(Cl)c2F)C[C@H]1CNC(=O)CCF
|
C[C@@H]CCNC=O)CcccccCl)c6F)))))))))C[C@H]6CNC=O)CCF
|
[C][C@@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F][C][C@H1][Ring1][P][C][N][C][=Branch1][C][=O][C][C][F]
|
C[C@@H]1CCN3C[C@H]16.c17cccc(Cl)c1F.C4(=O)CCF.C3(=O)C7.C56.N45
|
Cc1ccc(-n2ccc(C(=O)N3CC=C[C@H](NC(=O)c4ccc(F)s4)C3)n2)cc1
|
Ccccc-ncccC=O)NCC=C[C@H]NC=O)ccccF)s5)))))))C6)))))))n5)))))cc6
|
[C][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][=C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][S][Ring1][=Branch1][C][Ring1][#C][=N][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N]
|
Cc1ccc%10cc1.N15CC=C[C@H]7C1.n1%10ccc8n1.c19ccc(F)s1.C58=O.C69=O.N67
|
COc1ccc(C=CC(=O)N[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@H]2C)c(C)c1
|
COccccC=CC=O)N[C@@H]CNC=O)[C@H]CCS=O)=O)N5))))))C[C@H]5C))))))))))cC)c6
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][#Branch1][C][C@H1][Ring1][=C][C][C][Branch1][C][C][=C][Ring2][Ring1][O]
|
c16ccc(C=9)c(C)c1.[C@@H]17CN5C[C@H]1C.[C@H]18CCS(=O)(=O)N1.C=9C4=O.C58=O.CO6.N47
|
C[C@H]1CCN(C(=O)Cc2cnoc2)C[C@H]1CNC(=O)c1c[nH]nc1Cl
|
C[C@H]CCNC=O)Cccnoc5)))))))C[C@H]6CNC=O)cc[nH]nc5Cl
|
[C][C@H1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][=N][O][C][=Ring1][Branch1][C][C@H1][Ring1][=C][C][N][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][Cl]
|
C[C@H]1CCN3C[C@H]17.c16c[nH]nc1Cl.c18cnoc1.C3(=O)C8.C46=O.C57.N45
|
CCOc1nn(C)cc1NC(=O)[C@H](COC(C)C)NC(=O)CCC(=O)NN(C)C
|
CCOcnnC)cc5NC=O)[C@H]COCC)C))))NC=O)CCC=O)NNC)C
|
[C][C][O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][O][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][N][Branch1][C][C][C]
|
C3(=O)CCC(=O)NN(C)C.c17nn(C)cc19.C2(=O)[C@@H]8C5.C6(C)C.CC4.O47.N29.O56.N38
|
CC[C@H](C)[C@H](C)C(=O)NCCC1(C(=O)N(CC)CCCCO)CCCC1
|
CC[C@H]C)[C@H]C)C=O)NCCCC=O)NCC))CCCCO)))))))CCCC5
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][C][O][C][C][C][C][Ring1][#C]
|
CC[C@H](C)[C@H](C)C2=O.C178CCCC1.C6CCCO.C4C8.C37=O.N356.N24.C5C
|
CCCC[C@H](C)C(=O)N1CC[C@H](NC(=O)c2ccc3n[nH]cc3c2)[C@H](F)C1
|
CCCC[C@H]C)C=O)NCC[C@H]NC=O)ccccn[nH]cc5c9)))))))))))[C@H]F)C6
|
[C][C][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=N][NH1][C][=C][Ring1][Branch1][C][=Ring1][=Branch2][C@H1][Branch1][C][F][C][Ring2][Ring1][Ring1]
|
c17ccc2n[nH]cc2c1.CCCC[C@H](C)C4=O.N14CC[C@H]6[C@H](F)C1.C57=O.N56
|
CC[C@H](CC(=O)NCC1(C)CCC(NC(=O)COCCCF)CC1)SC
|
CC[C@H]CC=O)NCCC)CCCNC=O)COCCCF))))))))CC6))))))))))SC
|
[C][C][C@H1][Branch2][Ring1][S][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][Branch1][N][N][C][=Branch1][C][=O][C][O][C][C][C][F][C][C][Ring1][S][S][C]
|
C19(C)CCC8CC1.CC[C@@H]7CC2=O.C3(=O)C4.C5CCF.N26.C69.N38.O45.S7C
|
C=CCCCC(=O)N[C@H]1CCN(C(=O)[C@H](C)[C@@H](O)CC)[C@@H]1CC
|
C=CCCCC=O)N[C@H]CCNC=O)[C@H]C)[C@@H]O)CC)))))[C@@H]5CC
|
[C][=C][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][C][C@@H1][Ring1][=N][C][C]
|
C3(=O)[C@H](C)[C@@H](O)CC.C=CCCCC2=O.[C@H]14CCN3[C@@H]15.N24.C5C
|
C#C[C@H](C1CCC1)N(C)C(=O)CN1CCN(C(=O)CCC[C@H]2C[C@@H]2C)CC1
|
C#C[C@H]CCCC4))))NC)C=O)CNCCNC=O)CCC[C@H]C[C@@H]3C))))))))CC6
|
[C][#C][C@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C@H1][C][C@@H1][Ring1][Ring1][C][C][C][Ring1][#C]
|
N16CCN4CC1.C4(=O)CCC8.C#C[C@@H]57.C17CCC1.C3(=O)C6.[C@H]18C[C@@H]1C.N35C
|
CCC[C@H](CNC(=O)c1nonc1CC)C(=O)N[C@@H](C)c1ncc[nH]1
|
CCC[C@H]CNC=O)cnonc5CC))))))))))C=O)N[C@@H]C)cncc[nH]5
|
[C][C][C][C@H1][Branch1][S][C][N][C][=Branch1][C][=O][C][=N][O][N][=C][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=N][C][=C][NH1][Ring1][Branch1]
|
CCC[C@H](C4)C3=O.c16nonc17.c18ncc[nH]1.C26=O.[C@@H]58C.N24.C7C.N35
|
COc1cc(C)c(C(=O)OC2CN(C)C2)cc1Br
|
COcccC)cC=O)OCCNC)C4))))))cc6Br
|
[C][O][C][=C][C][Branch1][C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][N][Branch1][C][C][C][Ring1][Branch1][C][=C][Ring1][#C][Br]
|
c15cc(C)c6cc1Br.C14CN(C)C1.C36=O.CO5.O34
|
C#Cc1cc(C(=O)N(CCC)[C@H]2CCN(C(=O)CCn3cnnn3)C2)ccc1Cl
|
C#CcccC=O)NCCC)))[C@H]CCNC=O)CCncnnn5))))))))C5)))))))ccc6Cl
|
[C][#C][C][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][N][C][=N][N][=N][Ring1][Branch1][C][Ring1][=C][=C][C][=C][Ring2][Ring1][#Branch2][Cl]
|
C#Cc1cc8ccc1Cl.[C@H]17CCN5C1.C5(=O)CC9.n19cnnn1.C48=O.N467.C6CC
|
CC(C)=C(F)C(=O)N1CC2(CCCN(C(=O)C3(c4ccno4)CCOCC3)C2)C1
|
CCC)=CF)C=O)NCCCCCNC=O)Ccccno5)))))CCOCC6)))))))C6)))))C4
|
[C][C][Branch1][C][C][=C][Branch1][C][F][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][P][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][C][C][O][C][C][Ring1][O][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][=Branch1]
|
N15CC2(CCCN6C2)C1.C179CCOCC1.C=8(F)C5=O.c19ccno1.CC=8C.C67=O
|
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