SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
Cc1nscc1C(=O)NCC[C@@]12CC[C@H]1CN(C(=O)c1ccc3c(c1)COC3)C2
|
Ccnscc5C=O)NCC[C@@]CC[C@H]4CNC=O)cccccc6)COC5)))))))))C7
|
[C][C][=N][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@@][C][C][C@H1][Ring1][Ring2][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][C][Ring2][Ring1][C]
|
c18ccc2c(c1)COC2.[C@@]129CC[C@H]1CN5C2.Cc1nscc17.C47=O.C6C9.C58=O.N46
|
CO[C@@H]1CC(C(=O)N2C[C@H]3CCO[C@@]3(CNC(=O)c3cc(O)cs3)C2)C[C@H]1OC
|
CO[C@@H]CCC=O)NC[C@H]CCO[C@@]5CNC=O)cccO)cs5))))))))C8)))))))))C[C@H]5OC
|
[C][O][C@@H1][C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@H1][C][C][O][C@@][Ring1][Branch1][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][S][Ring1][=Branch1][C][Ring2][Ring1][C][C][C@H1][Ring2][Ring1][=Branch2][O][C]
|
N14C[C@H]2CCO[C@@]2%11C1.[C@@H]16CC%10C[C@H]17.c19cc(O)cs1.C4%10=O.C59=O.CO6.C8%11.N58.O7C
|
O=C(NCC1(C(=O)N[C@H]2CCC[C@@H](F)C2)CC2(CC2)C1)c1ccc2c(c1)CCC2
|
O=CNCCC=O)N[C@H]CCC[C@@H]F)C6))))))))CCCC3))C4))))))cccccc6)CCC5
|
[O][=C][Branch2][Ring1][P][N][C][C][Branch1][P][C][=Branch1][C][=O][N][C@H1][C][C][C][C@@H1][Branch1][C][F][C][Ring1][#Branch1][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1]
|
c18ccc2c(c1)CCC2.C179CC2(CC2)C1.[C@H]16CCC[C@@H](F)C1.O=C38.C47=O.N35.C59.N46
|
Cc1nc2ccc(O)cc2cc1C(=O)N[C@H]1C[C@@H]1NC(=O)c1ccnn1C
|
CcnccccO)cc6cc%10C=O)N[C@H]C[C@@H]3NC=O)cccnn5C
|
[C][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C]
|
Cc1nc2ccc(O)cc2cc18.c17ccnn1C.[C@H]15C[C@@H]16.C38=O.C47=O.N35.N46
|
Cn1cnc(C=CC(=O)NC[C@@H]2CN(C(=O)c3coc(Cl)n3)C[C@H]2O)c1
|
CncncC=CC=O)NC[C@@H]CNC=O)ccocCl)n5))))))C[C@H]5O)))))))))))c5
|
[C][N][C][=N][C][Branch2][Ring1][P][C][=C][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][O][C][Branch1][C][Cl][=N][Ring1][=Branch1][C][C@H1][Ring1][=N][O][=C][Ring2][Ring1][=Branch2]
|
Cn1cnc(C=8)c1.[C@@H]19CN5C[C@H]1O.c17coc(Cl)n1.C=8C4=O.C57=O.N46.C69
|
CN(C)CCOCC(=O)N[C@H]1CCN(C(=O)c2cccc3c2CCO3)C1
|
CNC)CCOCC=O)N[C@H]CCNC=O)cccccc6CCO5))))))))))C5
|
[C][N][Branch1][C][C][C][C][O][C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring1][Branch1][C][Ring1][S]
|
c1%10cccc2c1CCO2.[C@H]19CCN5C1.C7C4=O.CN8C.C8C6.C5%10=O.O67.N49
|
CC(=CC(=O)NC[C@H](C)CC(=O)NCc1ccnc(O)c1)c1ccccc1
|
CC=CC=O)NC[C@H]C)CC=O)NCcccncO)c6)))))))))))))))cccccc6
|
[C][C][=Branch2][Ring1][=C][=C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CC=6c1ccccc1.C4[C@H](C)CC3=O.c17ccnc(O)c1.C=6C2=O.N24.N35.C57
|
Cc1cc(C(=O)N(C)[C@@H]2CCN(Cc3sccc3Br)C2)c(C)cc1Br
|
CcccC=O)NC)[C@@H]CCNCcsccc5Br)))))))C5)))))))cC)cc6Br
|
[C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][C][N][Branch1][#Branch2][C][C][S][C][=C][C][=Ring1][Branch1][Br][C][Ring1][N][=C][Branch1][C][C][C][=C][Ring2][Ring1][#Branch1][Br]
|
Cc1cc7c(C)cc1Br.[C@@H]16CCN5C1.c18sccc1Br.C47=O.N46C.C58
|
CSc1ccccc1C(=O)NC[C@H]1C[C@@H](C)N(C(=O)c2ccc(O)cc2F)C1
|
CScccccc6C=O)NC[C@H]C[C@@H]C)NC=O)ccccO)cc6F))))))))C5
|
[C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][F][C][Ring1][S]
|
c17ccc(O)cc1F.c19ccccc16.[C@H]18C[C@@H](C)N4C1.C36=O.C47=O.CS9.N35.C58
|
COCc1nc(C(=O)N[C@@H]2CN(C(=O)c3cnc(C)[nH]c3=N)CC23CCC3)co1
|
COCcncC=O)N[C@@H]CNC=O)ccncC)[nH]c6=N))))))))CC5CCC4))))))))))co5
|
[C][O][C][C][=N][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][NH1][C][Ring1][#Branch1][=N][C][C][Ring1][#C][C][C][C][Ring1][Ring2][=C][O][Ring2][Ring1][#Branch2]
|
[C@@H]17CN5CC12CCC2.c19cnc(C)[nH]c1=N.c1%10nc8co1.C48=O.C59=O.CO6.C6%10.N47
|
CCCCS[C@@H](C)C(=O)NC1CC(NC(=O)c2cc(C)nn2C2CCC2)C1
|
CCCCS[C@@H]C)C=O)NCCCNC=O)cccC)nn5CCCC4)))))))))))C4
|
[C][C][C][C][S][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][C][C][C][Ring1][Ring2][C][Ring1][P]
|
c19cc(C)nn1%10.[C@H]6(C)C3=O.C17CC8C1.CCCC5.C1%10CCC1.C49=O.S56.N37.N48
|
CCc1ccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3OC)[C@H](F)C2)c(C)n1
|
CCccccC=O)NCC[C@@H]NC=O)[C@@H]C[C@H]3OC)))))))[C@H]F)C6)))))))cC)n6
|
[C][C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][=N][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][O][C][C@H1][Branch1][C][F][C][Ring1][#C][C][Branch1][C][C][=N][Ring2][Ring1][Branch2]
|
c1%10ccc9c(C)n1.N14CC[C@@H]7[C@H](F)C1.[C@@H]18C[C@H]16.C49=O.C58=O.CC%10.N57.O6C
|
CCOC(C)(C)C(=O)NCC1(CNC(=O)COC(F)(F)F)C[C@@H]2CCC[C@H]2C1
|
CCOCC)C)C=O)NCCCNC=O)COCF)F)F)))))))C[C@@H]CCC[C@H]5C8
|
[C][C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][O][C][Branch1][C][F][Branch1][C][F][F][C][C@@H1][C][C][C][C@H1][Ring1][Branch1][C][Ring2][Ring1][C]
|
C1%10%11C[C@@H]2CCC[C@H]2C1.C6(C)(C)C3=O.O7C(F)(F)F.C4(=O)C7.CC5.O56.N38.C8%10.C9%11.N49
|
Cc1cccc(C(=O)N(C)CCN(C)C(=O)c2ccc(N)c(F)c2Br)c1C
|
CcccccC=O)NC)CCNC)C=O)ccccN)cF)c6Br)))))))))))))c6C
|
[C][C][=C][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][Branch2][Br][=C][Ring2][Ring1][=Branch2][C]
|
c18ccc(N)c(F)c1Br.Cc1cccc7c1C.C37=O.N35C.C5C6.N46C.C48=O
|
CCc1ccc(CN2CCc3cccc(C(=O)Nc4nnc(C)n4C)c3C2)cc1
|
CCccccCNCCcccccC=O)NcnncC)n5C))))))))c6C%10)))))))))))cc6
|
[C][C][C][=C][C][=C][Branch2][Ring2][Ring1][C][N][C][C][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][=C][Ring1][S][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][O]
|
N16CCc2cccc8c2C1.c19ccc%10cc1.c17nnc(C)n1C.C58=O.CC9.C6%10.N57
|
COc1cc(C(=O)N[C@H](C)C(C)(C)NC(=O)[C@H]2C[C@@H](OC)C2)cc(OC)n1
|
COcccC=O)N[C@H]C)CC)C)NC=O)[C@H]C[C@@H]OC))C4))))))))))ccOC))n6
|
[C][O][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch1][Ring1][O][C][C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=N][Ring2][Ring1][=Branch2]
|
c15cc%11cc6n1.[C@@H]8(C)C9(C)C.[C@H]1%10C[C@@H]7C1.C3%11=O.C4%10=O.CO5.N38.N49.O7C.O6C
|
COCC1(NC(=O)C[C@H]2C=CCC2)CCN(C(=O)C[C@H]2CCC(=O)NC2=O)CC1
|
COCCNC=O)C[C@H]C=CCC5))))))))CCNC=O)C[C@H]CCC=O)NC6=O)))))))))CC6
|
[C][O][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C@H1][C][=C][C][C][Ring1][Branch1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C@H1][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][#Branch2]
|
C167CCN4CC1.[C@H]19CCC(=O)NC1=O.[C@H]18C=CCC1.C3(=O)C8.C4(=O)C9.CO5.C57.N36
|
CCC[C@H](F)C(=O)NC[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(F)F)nc2)C1
|
CCC[C@H]F)C=O)NC[C@@H]C[C@H]C)NC=O)ccccCF)F))nc6)))))))C5
|
[C][C][C][C@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Branch1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][=C][Ring1][=Branch2][C][Ring1][P]
|
CCC[C@H](F)C3=O.[C@@H]18C[C@H](C)N4C1.c16ccc7nc1.C46=O.C7(F)F.N35.C58
|
CC[C@H](C)c1ccc(C(=O)NC/C=C/CNC(=O)c2csnc2C)cc1
|
CC[C@H]C)ccccC=O)NC/C=C/CNC=O)ccsnc5C))))))))))))))cc6
|
[C][C][C@H1][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][/C][=C][/C][N][C][=Branch1][C][=O][C][=C][S][N][=C][Ring1][Branch1][C][C][=C][Ring2][Ring1][=Branch1]
|
c1%10ccc7cc1.c18csnc1C.CC[C@@H]%10C.C37=O.C5C=9.C=9C6.C48=O.N35.N46
|
Cc1csc(C)c1C(=O)N1CC(n2cc(CNC(=O)[C@H](C)C(F)F)nn2)C1
|
CccscC)c5C=O)NCCnccCNC=O)[C@H]C)CF)F))))))nn5)))))C4
|
[C][C][=C][S][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch2][N][C][=C][Branch1][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][Branch1][C][F][F][N][=N][Ring1][=C][C][Ring2][Ring1][C]
|
Cc1csc(C)c16.C4(=O)[C@H](C)C(F)F.n18cc7nn1.N13CC8C1.C36=O.C57.N45
|
CCn1cccc1C(=O)NCC[C@@H](Cc1ccccc1)NC(=O)CCC#N
|
CCncccc5C=O)NCC[C@@H]Ccccccc6)))))))NC=O)CCC#N
|
[C][C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][#N]
|
n17cccc16.C4C[C@H]5C8.c18ccccc1.C3(=O)CCC#N.C26=O.CC7.N24.N35
|
COc1cc(C)c(N)c(C(=O)N2CC[C@@H](CNC(=O)[C@@H](F)OC)C(F)(F)CC2)c1
|
COcccC)cN)cC=O)NCC[C@@H]CNC=O)[C@@H]F)OC))))))CF)F)CC7))))))))c6
|
[C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][N][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][=N][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][F][O][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][P][=C][Ring2][Ring1][O]
|
N13CC[C@@H]9C(F)(F)CC1.c16cc8c(N)c(C)c1.C4(=O)[C@H]5F.C38=O.CO6.C79.N47.O5C
|
Cc1nscc1C(=O)N[C@@H](C)c1nc(C(=O)N[C@@H]2CCCc3occc32)co1
|
Ccnscc5C=O)N[C@@H]C)cncC=O)N[C@@H]CCCcoccc59)))))))))))co5
|
[C][C][=N][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=N][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][O][C][=C][C][=Ring1][Branch1][Ring1][=Branch2][=C][O][Ring1][P]
|
N5[C@@H]1CCCc2occc21.Cc1nscc18.c19nc7co1.C48=O.[C@@H]69C.C57=O.N46
|
CC(C)(C)CN=C(NCC(C)(C)C1CC1)N[C@@H]1CS[C@@H](C(F)(F)F)C1
|
CCC)C)CN=CNCCC)C)CCC3))))))N[C@@H]CS[C@@H]CF)F)F))C5
|
[C][C][Branch1][C][C][Branch1][C][C][C][N][=C][Branch1][#C][N][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][Ring1][N][C@@H1][C][S][C@@H1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=Branch2]
|
CC(C)(C)CN=C(N2)N3.[C@@H]13CS[C@@H]4C1.C2C5(C)C.C4(F)(F)F.C15CC1
|
CN(C(=O)[C@@H]1CCC1(C)C)C1CC(NC(=O)c2cnc3[nH]ncc3c2)C1
|
CNC=O)[C@@H]CCC4C)C))))))CCCNC=O)ccnc[nH]ncc5c9)))))))))))C4
|
[C][N][Branch1][#C][C][=Branch1][C][=O][C@@H1][C][C][C][Ring1][Ring2][Branch1][C][C][C][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][N][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Ring1][S]
|
c19cnc2[nH]ncc2c1.[C@@H]18CCC1(C)C.C16CC7C1.CN46.C48=O.C59=O.N57
|
Cc1cc(C(=O)N2CC[C@@H]3C[C@H](NC(=O)c4ccc(Cl)nn4)CC[C@@H]3C2)sn1
|
CcccC=O)NCC[C@@H]C[C@H]NC=O)ccccCl)nn6))))))))CC[C@@H]6C%10)))))))))))sn5
|
[C][C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][N][=N][Ring1][#Branch1][C][C][C@@H1][Ring1][S][C][Ring2][Ring1][Ring2][S][N][=Ring2][Ring1][O]
|
N15CC[C@@H]2C[C@H]7CC[C@@H]2C1.c19ccc(Cl)nn1.Cc1cc8sn1.C58=O.C69=O.N67
|
C[C@@H](CN1CCOCC1)C(=O)N[C@H]1CN(C(=O)c2coc(Cl)n2)C2(CCC2)C1
|
C[C@@H]CNCCOCC6)))))))C=O)N[C@H]CNC=O)ccocCl)n5))))))CCCC4)))C5
|
[C][C@@H1][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][O][C][Branch1][C][Cl][=N][Ring1][=Branch1][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][S]
|
[C@H]16CN4C2(CCC2)C1.C[C@@H](C5)C3=O.N15CCOCC1.c17coc(Cl)n1.C47=O.N36
|
CCCCS[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1ccc3c(c1)COC3)C2
|
CCCCS[C@@H]C)C=O)N[C@H]C[C@H]CC[C@H]6NC=O)cccccc6)COC5)))))))))C6
|
[C][C][C][C][S][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][C][Ring1][P]
|
[C@H]18C[C@H]2CC[C@H]1N5C2.c19ccc2c(c1)COC2.[C@H]7(C)C4=O.CCCC6.C59=O.S67.N48
|
Cn1cnc2c1CCC[C@@H]2C(=O)NC[C@H](O)CNC(=O)c1nccnc1C(N)=O
|
Cncncc5CCC[C@@H]6C=O)NC[C@H]O)CNC=O)cnccnc6CN)=O
|
[C][N][C][=N][C][=C][Ring1][Branch1][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][N][=O]
|
Cn1cnc2c1CCC[C@@H]2C3=O.c17nccnc18.C5[C@H](O)C6.C47=O.C8(N)=O.N35.N46
|
Cc1cc(CN=c2nc(N3CC[C@@H](CO)[C@@H](C)C3)c3sccc3[nH]2)n[nH]1
|
CcccCN=cncNCC[C@@H]CO))[C@@H]C)C6))))))csccc5[nH]9)))))))))))n[nH]5
|
[C][C][=C][C][Branch2][Ring2][C][C][N][=C][N][=C][Branch1][S][N][C][C][C@@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][C][C][Ring1][=Branch2][C][S][C][=C][C][=Ring1][Branch1][NH1][Ring2][Ring1][C][=N][NH1][Ring2][Ring1][=Branch2]
|
C5N=c1nc4c2sccc2[nH]1.N14CC[C@@H]6[C@@H](C)C1.Cc1cc5n[nH]1.C6O
|
C=C(C)C[C@@H](C)C(=O)N1CCC(NC(=O)c2cnn(C)n2)CC1
|
C=CC)C[C@@H]C)C=O)NCCCNC=O)ccnnC)n5)))))))CC6
|
[C][=C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][C][Ring1][#C]
|
C=C(C)C[C@@H](C)C3=O.N13CCC5CC1.c16cnn(C)n1.C46=O.N45
|
CC(C)c1nccn1CC(=O)N1C[C@@H]2CC[C@]2(NC(=O)c2cnc(N)c(N)c2)C1
|
CCC)cnccn5CC=O)NC[C@@H]CC[C@]4NC=O)ccncN)cN)c6))))))))C7
|
[C][C][Branch1][C][C][C][=N][C][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@][Ring1][Ring2][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][N][C][Branch1][C][N][=C][Ring1][Branch2][C][Ring2][Ring1][C]
|
N13C[C@@H]2CC[C@]25C1.c16cnc(N)c(N)c1.c18nccn17.C7C3=O.CC8C.C46=O.N45
|
CC=CCCC(=O)NC[C@H]1CN(C(=O)CCN(CCCCC)C(C)C)C[C@H]1C
|
CC=CCCC=O)NC[C@H]CNC=O)CCNCCCCC)))))CC)C))))))C[C@H]5C
|
[C][C][=C][C][C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][N][Branch1][=Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][C@H1][Ring2][Ring1][C][C]
|
[C@H]19CN3C[C@H]1C.C=8CCC2=O.C3(=O)CC5.C6CCCC.N567.C7(C)C.CC=8.N24.C49
|
C=CCOCC(=O)N[C@H]1[C@@H]2CN(C(=O)c3cc(Cl)c(OC)cc3OC)C[C@@H]21
|
C=CCOCC=O)N[C@H][C@@H]CNC=O)cccCl)cOC))cc6OC)))))))))C[C@@H]56
|
[C][=C][C][O][C][C][=Branch1][C][=O][N][C@H1][C@@H1][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][O][C][C][C@@H1][Ring2][Ring1][C][Ring2][Ring1][Ring1]
|
c1%11cc(Cl)c8cc19.[C@@H]1%10[C@H]2CN5C[C@@H]12.C7C4=O.C=CC6.C5%11=O.O67.N4%10.O8C.O9C
|
CCC[C@H](CC)C(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)s2)[C@@H](O)C1
|
CCC[C@H]CC))C=O)NCC[C@H]CNC=O)ccccCl)s5))))))))[C@@H]O)C6
|
[C][C][C][C@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C@@H1][Branch1][C][O][C][Ring1][P]
|
CCC[C@H](CC)C3=O.N13CC[C@H]7[C@@H](O)C1.c16ccc(Cl)s1.C46=O.C57.N45
|
C[C@]1(CNC(=O)c2ccc3c(c2)COC3=O)CCCN1C(=O)C=C1CCCCC1
|
C[C@]CNC=O)cccccc6)COC5=O))))))))))))CCCN5C=O)C=CCCCCC6
|
[C][C@][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=O][C][C][C][N][Ring2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][C][C][C][C][Ring1][=Branch1]
|
c17ccc2c(c1)COC2=O.C[C@]19CCCN15.C1=8CCCCC1.C5(=O)C=8.C47=O.C69.N46
|
C[C@@H](CNC(=O)Cn1cnnc1)[C@@H](F)C(=O)N[C@@H]1CNC(=O)OC1
|
C[C@@H]CNC=O)Cncnnc5)))))))))[C@@H]F)C=O)N[C@@H]CNC=O)OC6
|
[C][C@@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][N][C][=N][N][=C][Ring1][Branch1][C@@H1][Branch1][C][F][C][=Branch1][C][=O][N][C@@H1][C][N][C][=Branch1][C][=O][O][C][Ring1][#Branch1]
|
C[C@@H](C4)[C@@H](F)C3=O.[C@@H]15CNC(=O)OC1.n16cnnc1.C2(=O)C6.N24.N35
|
CC1(C)C[C@H](CNC(=O)[C@H]2CCCCN(C(=O)c3ccc(O)cc3F)C2)CO1
|
CCC)C[C@H]CNC=O)[C@H]CCCCNC=O)ccccO)cc6F))))))))C7))))))))))CO5
|
[C][C][Branch1][C][C][C][C@H1][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][F][C][Ring1][P][C][O][Ring2][Ring1][O]
|
[C@H]17CCCCN5C1.c18ccc(O)cc1F.CC1(C)C[C@H]9CO1.C47=O.C58=O.C69.N46
|
COC1CCC(C(=O)N2CC(CNC(=O)[C@]3(C)CCC(=O)NC3)(OC)C2)CC1
|
COCCCCC=O)NCCCNC=O)[C@]C)CCC=O)NC6)))))))))OC))C4)))))CC6
|
[C][O][C][C][C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][Ring1][Branch2][Branch1][Ring1][O][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][#Branch2]
|
[C@@]1%10(C)CCC(=O)NC1.C17CCC9CC1.N14CC6%11C1.C49=O.C5%10=O.CO7.C8%11.N58.O6C
|
COCC=CC(=O)NC[C@H]1CCC(C)(C)CN1C(=O)[C@@H]1CCc2cc(F)ccc21
|
COCC=CC=O)NC[C@H]CCCC)C)CN6C=O)[C@@H]CCcccF)ccc69
|
[C][O][C][C][=C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2]
|
C4(=O)[C@@H]1CCc2cc(F)ccc21.[C@H]18CCC(C)(C)CN14.C=7C3=O.C5C=7.CO5.N36.C68
|
CO[C@@H](C)CCC(=O)N1CC(C)(C)C(NC(=O)Cc2cnns2)C(C)(C)C1
|
CO[C@@H]C)CCC=O)NCCC)C)CNC=O)Cccnns5))))))))CC)C)C6
|
[C][O][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][N][=N][S][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1]
|
N13CC(C)(C)C6C(C)(C)C1.[C@H]5(C)CCC3=O.c17cnns1.C4(=O)C7.CO5.N46
|
CCSCc1cc(C(=O)N[C@H](C)C(C)(C)NC(=O)c2ccc(O)cc2F)no1
|
CCSCcccC=O)N[C@H]C)CC)C)NC=O)ccccO)cc6F)))))))))))))no5
|
[C][C][S][C][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][F][=N][O][Ring2][Ring1][Branch2]
|
c1%10ccc(O)cc1F.c1%11cc9no1.[C@@H]5(C)C6(C)C.C39=O.C4%10=O.CC7.S78.C8%11.N35.N46
|
Cc1noc(C)c1CSCC(=O)N[C@@H]1CC[C@H]1NC(=O)c1c(C)nn(C)c1Cl
|
CcnocC)c5CSCC=O)N[C@@H]CC[C@H]4NC=O)ccC)nnC)c5Cl
|
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][S][C][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][Cl]
|
c18c(C)nn(C)c1Cl.Cc1noc(C)c19.[C@@H]16CC[C@H]17.C5C2=O.C38=O.C49.S45.N26.N37
|
C#CCn1cc(CNC(=O)C2(CCNC(=O)CCn3cncn3)CCC2)cn1
|
C#CCnccCNC=O)CCCNC=O)CCncncn5)))))))))))CCC4)))))))cn5
|
[C][#C][C][N][C][=C][Branch2][Ring1][#C][C][N][C][=Branch1][C][=O][C][Branch1][P][C][C][N][C][=Branch1][C][=O][C][C][N][C][=N][C][=N][Ring1][Branch1][C][C][C][Ring1][S][C][=N][Ring2][Ring1][=Branch2]
|
n19cc%12cn1.C18%11CCC1.C5(=O)CC%10.n1%10cncn1.C#CC9.C48=O.C%11C7.C6%12.N46.N57
|
Cn1ncc(C(=O)N2CC3(CCN3C(=O)c3ccc(CO)cc3)C2)c1C#N
|
CnnccC=O)NCCCCN4C=O)ccccCO))cc6))))))))))C4)))))c5C#N
|
[C][N][N][=C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][Ring1][P][=C][Ring2][Ring1][Branch2][C][#N]
|
Cn1ncc6c1C#N.N14CC2(CCN25)C1.c17ccc8cc1.C46=O.C57=O.C8O
|
CO[C@H](C(=O)N[C@@H]1COCC[C@@H]1NC(=O)C1=CCCC1)C1CC1
|
CO[C@H]C=O)N[C@@H]COCC[C@@H]6NC=O)C=CCCC5)))))))))))))))CCC3
|
[C][O][C@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C@@H1][C][O][C][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][C][C][Ring1][Branch1][C][C][C][Ring1][Ring1]
|
[C@@H]15COCC[C@@H]16.C3(=O)C1=CCCC1.[C@H]47C2=O.C17CC1.CO4.N25.N36
|
CSC(C)(C)C(=O)NC[C@@H]1CN(C(=O)CC2CC(CF)C2)CC1(C)C
|
CSCC)C)C=O)NC[C@@H]CNC=O)CCCCCF))C4))))))CC5C)C
|
[C][S][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C][C][Branch1][Ring1][C][F][C][Ring1][=Branch1][C][C][Ring1][=C][Branch1][C][C][C]
|
[C@@H]17CN4CC1(C)C.C6(C)(C)C3=O.C18CC9C1.C4(=O)C8.CS6.N35.C57.C9F
|
CCOC=CC(=O)NC[C@H]1CC2(CCOCC2)CN1c1ncc2ncnc-2[nH]1
|
CCOC=CC=O)NC[C@H]CCCCOCC6)))))CN5cnccncnc-5[nH]9
|
[C][C][O][C][=C][C][=Branch1][C][=O][N][C][C@H1][C][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=N][C][=C][N][=C][N][=C][Ring1][Branch1][NH1][Ring1][=Branch2]
|
[C@H]17CC2(CCOCC2)CN16.c16ncc2ncnc-2[nH]1.O4C=CC3=O.CC4.N35.C57
|
C#C[C@@](C)(NC(=O)[C@H]1CN(C(=O)[C@H]2CCC[C@@H]2O)CC12CC2)C1CCC1
|
C#C[C@@]C)NC=O)[C@H]CNC=O)[C@H]CCC[C@@H]5O)))))))CC5CC3)))))))))CCCC4
|
[C][#C][C@@][Branch1][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C@H1][C][C][C][C@@H1][Ring1][Branch1][O][C][C][Ring1][=N][C][C][Ring1][Ring1][C][C][C][C][Ring1][Ring2]
|
[C@H]16CN4CC12CC2.[C@H]17CCC[C@@H]1O.C#C[C@@]58C.C18CCC1.C36=O.C47=O.N35
|
Cc1[nH]nc(Cl)c1C(=O)NCC[C@H](C)NC(=O)c1ccc2c(n1)NC(=O)CO2
|
Cc[nH]ncCl)c5C=O)NCC[C@H]C)NC=O)cccccn6)NC=O)CO6
|
[C][C][NH1][N][=C][Branch1][C][Cl][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][Ring1][Branch2]
|
c17ccc2c(n1)NC(=O)CO2.Cc1[nH]nc(Cl)c18.C5C[C@@H]6C.C38=O.C47=O.N35.N46
|
CCCc1ncoc1C(=O)N[C@@](C)(C(=O)NC[C@@H](C)N(CC)CC)C1CCC1
|
CCCcncoc5C=O)N[C@@]C)C=O)NC[C@@H]C)NCC))CC)))))))CCCC4
|
[C][C][C][C][N][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C@@][Branch1][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][N][Branch1][Ring1][C][C][C][C][C][C][C][C][Ring1][Ring2]
|
c1%11ncoc1%10.[C@@]53(C)C4=O.C6[C@H]7C.C13CCC1.CCC%11.C2%10=O.N789.N25.N46.C8C.C9C
|
CO[C@@H](C(=O)N1CCN(C(=O)Cc2cncn2C)C[C@H]1c1cccnc1)C1CC1
|
CO[C@@H]C=O)NCCNC=O)Cccncn5C))))))))C[C@H]6ccccnc6)))))))))))))CCC3
|
[C][O][C@@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][N][=C][N][Ring1][Branch1][C][C][C@H1][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1]
|
N13CCN4C[C@H]18.c16cncn1C.c18cccnc1.[C@@H]57C3=O.C4(=O)C6.C17CC1.CO5
|
COc1nc(Cl)ccc1C(=O)NC[C@H](C)CN(C)C(=O)c1c(Cl)ccc(C)c1N
|
COcncCl)ccc6C=O)NC[C@H]C)CNC)C=O)ccCl)cccC)c6N
|
[C][O][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][N]
|
c18c(Cl)ccc(C)c1N.c14nc(Cl)ccc17.C5[C@H](C)C6.C27=O.N36C.C38=O.CO4.N25
|
CN1CC[C@H](C(=O)NC/C=C\CNC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1
|
CNCC[C@H]C=O)NC/C=C\CNC=O)[C@@H]CCc[nH]ncCF)F)F))c5C9)))))))))))))))))C5
|
[C][N][C][C][C@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][/C][=C][\C][N][C][=Branch1][C][=O][C@@H1][C][C][C][NH1][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=Ring1][=Branch2][C][Ring1][=N][C][Ring2][Ring1][N]
|
[C@@H]19CCc2[nH]nc%11c2C1.CN1CC[C@H]8C1.C%11(F)(F)F.C48=O.C6C=%10.C=%10C7.C59=O.N46.N57
|
Clc1ccc(C2(NCCNC3CCCCC3)CC2)cn1
|
ClccccCNCCNCCCCCC6))))))))))CC3)))cn6
|
[Cl][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][=N][N][C][C][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=N][C][=N][Ring2][Ring1][Ring1]
|
Clc1ccc8cn1.C17CCCCC1.C148CC1.C5C6.N45.N67
|
CNC(=O)[C@H]1CCN(C(=O)C2=CC[C@H]3CC[C@H]2N3C(=O)[C@H]2C=CCS2)C1
|
CNC=O)[C@H]CCNC=O)C=CC[C@H]CC[C@H]7N5C=O)[C@H]C=CCS5)))))))))))))))C5
|
[C][N][C][=Branch1][C][=O][C@H1][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][=C][C][C@H1][C][C][C@H1][Ring1][#Branch1][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][C][=C][C][S][Ring1][Branch1][C][Ring2][Ring1][=Branch1]
|
C5(=O)C1=CC[C@H]2CC[C@H]1N26.[C@H]18CCN5C1.[C@H]17C=CCS1.C48=O.C67=O.CN4
|
CC(C)=C=CC(=O)N1CCC(C)(C)[C@H]1C(=O)NCCC1CCCCCC1
|
CCC)=C=CC=O)NCCCC)C)[C@H]5C=O)NCCCCCCCCC7
|
[C][C][Branch1][C][C][=C][=C][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][C][C][C][C][C][C][C][Ring1][#Branch1]
|
N12CCC(C)(C)[C@H]15.CC(C)=C=CC2=O.C16CCCCCC1.C35=O.C4C6.N34
|
COCc1cncc(C(=O)Nc2cccc(NC(=O)c3ccc([N+](=O)[O-])s3)c2)c1
|
COCccnccC=O)NcccccNC=O)cccc[N+]=O)[O-]))s5)))))))c6))))))))c6
|
[C][O][C][C][=C][N][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][S][Ring1][Branch2][=C][Ring1][P][=C][Ring2][Ring1][#Branch2]
|
c19ccc([N+](=O)[O-])s1.c1%11cncc%10c1.c17cccc8c1.C4%10=O.C59=O.CO6.C6%11.N47.N58
|
CC[C@H](CCO)NC(=O)CO[C@@H]1CCN(C(=O)CSC(C)C)C1
|
CC[C@H]CCO)))NC=O)CO[C@@H]CCNC=O)CSCC)C)))))C5
|
[C][C][C@H1][Branch1][Ring2][C][C][O][N][C][=Branch1][C][=O][C][O][C@@H1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][S][C][Branch1][C][C][C][C][Ring1][N]
|
CC[C@@H]6CCO.[C@@H]15CCN3C1.C2(=O)C4.C3(=O)C7.C8(C)C.N26.O45.S78
|
Cc1nc(C(=O)N2CCC[C@@](C)(CNC(=O)c3cc([N+](=O)[O-])cn3C)C2)nn1C
|
CcncC=O)NCCC[C@@]C)CNC=O)ccc[N+]=O)[O-]))cn5C)))))))))C6)))))))nn5C
|
[C][C][=N][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][C][C@@][Branch1][C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][N][Ring1][Branch2][C][C][Ring2][Ring1][Ring2][=N][N][Ring2][Ring1][O][C]
|
c18cc([N+](=O)[O-])cn1C.N14CCC[C@]9(C)C1.Cc1nc7nn1C.C47=O.C58=O.C69.N56
|
C[C@H](C(N)=O)N1C[C@H]2C[C@@H](NC(=O)c3cc(C4CC4)nn3C)CC[C@H]2C1
|
C[C@H]CN)=O))NC[C@H]C[C@@H]NC=O)cccCCC3)))nn5C))))))))CC[C@H]6C9
|
[C][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][C@H1][C][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][Ring1][Branch2][C][C][C][C@H1][Ring2][Ring1][C][C][Ring2][Ring1][Branch1]
|
N16C[C@H]2C[C@@H]7CC[C@H]2C1.c18cc9nn1C.C[C@@H]6C(N)=O.C58=O.C19CC1.N57
|
C#CCOc1c(OC)cccc1C(=O)N1CCC(O)(C(=O)NCCC(N)=O)CC1
|
C#CCOccOC))cccc6C=O)NCCCO)C=O)NCCCN)=O))))))CC6
|
[C][#C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][N][=O][C][C][Ring1][#C]
|
c15c6cccc19.N12CCC8(O)CC1.C7CC(N)=O.C#CC4.C29=O.C38=O.O45.O6C.N37
|
CS[C@H](C)[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)C[C@H](C)C(F)F)C1
|
CS[C@H]C)[C@H]C)NC=O)[C@@H]CCCNC=O)C[C@H]C)CF)F)))))C6
|
[C][S][C@H1][Branch1][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][Branch1][C][F][F][C][Ring1][=C]
|
C3(=O)C[C@H](C)C(F)F.[C@@H]16CCCN3C1.[C@@H]5(C)[C@@H]4C.C26=O.CS5.N24
|
C[C@](O)(C(=O)N1CC(O)(CCNC(=O)C2(CCF)CCC2)C1)C1CC1
|
C[C@]O)C=O)NCCO)CCNC=O)CCCF)))CCC4))))))))C4)))))CCC3
|
[C][C@][Branch1][C][O][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring2][C][C][F][C][C][C][Ring1][#Branch1][C][Ring1][P][C][C][C][Ring1][Ring1]
|
C[C@]7(O)C3=O.N13CC8(O)C1.C169CCC1.C8C5.C46=O.C9CF.C17CC1.N45
|
COCCO[C@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c(Cl)cnn2C)C1
|
COCCO[C@H]C)C=O)NC[C@H]CC[C@H]NC=O)CccCl)cnn5C)))))))))C5
|
[C][O][C][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][Cl][C][=N][N][Ring1][=Branch1][C][C][Ring1][S]
|
c1%10c(Cl)cnn1C.[C@H]1%11CC[C@H]9C1.[C@@H]7(C)C3=O.C4(=O)C%10.C5C6.CO5.O67.N38.C8%11.N49
|
CC(C)[C@@H](O)CC(=O)N[C@@H]1CCCN(C(=O)COC2CCOCC2)C1
|
CCC)[C@@H]O)CC=O)N[C@@H]CCCNC=O)COCCCOCC6)))))))))C6
|
[C][C][Branch1][C][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][C][C][O][C][C][Ring1][=Branch1][C][Ring1][S]
|
CC(C)[C@@H](O)CC3=O.[C@@H]17CCCN4C1.C16CCOCC1.C4(=O)C5.N37.O56
|
C[C@]1(CCNC(=O)[C@@H]2N(C(=O)c3ncccc3F)CC23CCCC3)CC1(F)F
|
C[C@]CCNC=O)[C@@H]NC=O)cncccc6F))))))))CC4CCCC5))))))))))))CC3F)F
|
[C][C@][Branch2][Ring2][Ring1][C][C][N][C][=Branch1][C][=O][C@@H1][N][Branch1][=C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N][C][C][C][C][Ring1][Branch1][C][C][Ring2][Ring1][=Branch2][Branch1][C][F][F]
|
[C@@H]17N5CC12CCCC2.c18ncccc1F.C[C@]19CC1(F)F.C9C6.C47=O.C58=O.N46
|
CCC[C@@H](C)[C@@H](C)Nc1[nH]c(=NCCN(C)C2CCOCC2)nc2c1ncn2C
|
CCC[C@@H]C)[C@@H]C)Nc[nH]c=NCCNC)CCCOCC6))))))))))ncc6ncn5C
|
[C][C][C][C@@H1][Branch1][C][C][C@@H1][Branch1][C][C][N][C][NH1][C][=Branch1][S][=N][C][C][N][Branch1][C][C][C][C][C][O][C][C][Ring1][=Branch1][N][=C][C][=Ring1][P][N][=C][N][Ring1][Branch1][C]
|
c15[nH]c(=NCC4)nc2c1ncn2C.CCC[C@@H](C)[C@H]3C.C16CCOCC1.N46C.N35
|
COCC1(CC(=O)NC[C@@H](NC(=O)[C@@H]2OC(=O)c3ccccc32)C2CCC2)CC1
|
COCCCC=O)NC[C@@H]NC=O)[C@@H]OC=O)cccccc69)))))))))))CCCC4)))))))))CC3
|
[C][O][C][C][Branch2][Ring2][#Branch1][C][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][C][C][Ring1][Ring2][C][C][Ring2][Ring1][#Branch2]
|
C5(=O)[C@@H]1OC(=O)c2ccccc21.C19%10CC1.C%10C4=O.C7[C@@H]8%11.C1%11CCC1.CO6.C69.N47.N58
|
Cc1cc(OCC(=O)N[C@@H](C)[C@@]2(O)CCN(C(=O)c3cc(F)ccc3F)C2)no1
|
CcccOCC=O)N[C@@H]C)[C@@]O)CCNC=O)cccF)ccc6F))))))))C5))))))))))no5
|
[C][C][=C][C][Branch2][Ring2][Branch2][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C@@][Branch1][C][O][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][Ring1][S][=N][O][Ring2][Ring1][N]
|
c19cc(F)ccc1F.[C@]1%10(O)CCN5C1.Cc1cc7no1.C6C4=O.[C@@H]8%10C.C59=O.O67.N48
|
Cn1c(S)nnc1C(=O)N1CCCC[C@@H](C2CN(C(=O)C3(F)CCCCC3)C2)C1
|
CncS)nnc5C=O)NCCCC[C@@H]CCNC=O)CF)CCCCC6)))))))C4))))C7
|
[C][N][C][Branch1][C][S][=N][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Branch2][Ring1][Branch2][C][C][N][Branch1][S][C][=Branch1][C][=O][C][Branch1][C][F][C][C][C][C][C][Ring1][#Branch1][C][Ring1][=N][C][Ring2][Ring1][Ring2]
|
N14CCCC[C@@H](C2CN5C2)C1.Cn1c6nnc1S.C17(F)CCCCC1.C46=O.C57=O
|
Cc1nc2cc(C(=O)N[C@H]3CC[C@H](N(C)C(=O)Cn4cnnn4)C3)c(F)cc2[nH]1
|
CcncccC=O)N[C@H]CC[C@H]NC)C=O)Cncnnn5))))))))C5)))))))cF)cc6[nH]9
|
[C][C][=N][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Branch1][P][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=N][N][=N][Ring1][Branch1][C][Ring1][#C][=C][Branch1][C][F][C][=C][Ring2][Ring1][=Branch2][NH1][Ring2][Ring1][N]
|
Cc1nc2cc9c(F)cc2[nH]1.[C@H]17CC[C@H]8C1.n1%10cnnn1.C6(=O)C%10.C59=O.N68C.N57
|
CCC[C@H](O)C(=O)NCc1ncc(-c2ccc3cnn(C)c3c2)cn1
|
CCC[C@H]O)C=O)NCcncc-cccccnnC)c5c9)))))))))cn6
|
[C][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][=N][C][=C][Branch1][P][C][=C][C][=C][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=N][Ring1][S]
|
c17ccc2cnn(C)c2c1.CCC[C@H](O)C4=O.c16ncc7cn1.N45.C56
|
COc1ccc(CCC(=O)N2CCOC[C@@H]2CNC(=O)[C@]2(C)CCCO2)cc1Cl
|
COccccCCC=O)NCCOC[C@@H]6CNC=O)[C@]C)CCCO5)))))))))))))))))cc6Cl
|
[C][O][C][=C][C][=C][Branch2][Ring1][#C][C][C][C][=Branch1][C][=O][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][Cl]
|
c15ccc9cc1Cl.N13CCOC[C@@H]18.[C@@]17(C)CCCO1.C9CC3=O.C47=O.CO5.C68.N46
|
CC(C)c1ccc(-c2cccc3[nH]nc(C(=O)Nc4cnns4)c23)cc1
|
CCC)cccc-ccccc[nH]ncC=O)Nccnns5)))))))c95)))))))))cc6
|
[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][NH1][N][=C][Branch1][=N][C][=Branch1][C][=O][N][C][=C][N][=N][S][Ring1][Branch1][C][Ring1][P][=Ring1][=N][C][=C][Ring2][Ring1][#Branch1]
|
c19cccc2[nH]nc7c12.c18ccc9cc1.c16cnns1.CC8C.C57=O.N56
|
CCC(CC)(CC)C(=O)N1C[C@@H](C)OC2(CCN(C(=O)CSC(F)(F)F)CC2)C1
|
CCCCC))CC))C=O)NC[C@@H]C)OCCCNC=O)CSCF)F)F)))))CC6)))))C6
|
[C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][O][C][Branch2][Ring1][Branch2][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][S][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][=C][C][Ring2][Ring1][Ring2]
|
N13C[C@@H](C)OC2(CCN4CC2)C1.CCC(CC)(CC)C3=O.S5C(F)(F)F.C4(=O)C5
|
Cc1ccc(NC(=O)COc2cc(Br)ccc2I)cc1C
|
CccccNC=O)COcccBr)ccc6I)))))))))))cc6C
|
[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][I][C][=C][Ring2][Ring1][Ring1][C]
|
Cc1ccc6cc1C.c15cc(Br)ccc1I.C3(=O)C4.N36.O45
|
COC[C@@H](CN1CCOCC1)NC(=O)NCC1(COC)COC1
|
COC[C@@H]CNCCOCC6)))))))NC=O)NCCCOC)))COC4
|
[C][O][C][C@@H1][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][Ring2][C][O][C][C][O][C][Ring1][#Branch1]
|
N17CCOCC1.C4[C@H]6C7.C19%10COC1.C23=O.CO4.N26.N38.C89.C5%10.O5C
|
COC(=O)CC1(CC(=O)N(C)[C@H]2CCN(C(=O)C[C@]3(C)CC3(Cl)Cl)C2)CC1
|
COC=O)CCCC=O)NC)[C@H]CCNC=O)C[C@]C)CC3Cl)Cl))))))C5))))))))CC3
|
[C][O][C][=Branch1][C][=O][C][C][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C@][Branch1][C][C][C][C][Ring1][Ring2][Branch1][C][Cl][Cl][C][Ring1][=C][C][C][Ring2][Ring1][=Branch1]
|
[C@H]17CCN6C1.[C@@]1%10(C)CC1(Cl)Cl.C4(=O)C8.C189CC1.C9C5=O.C6(=O)C%10.N57C.CO4
|
Nc1nonc1C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cc(Br)c(Cl)s1
|
Ncnonc5C=O)NC[C@@H]CCC[C@@H]5NC=O)cccBr)cCl)s5
|
[N][C][=N][O][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][Branch1][C][Cl][S][Ring1][#Branch1]
|
c17cc(Br)c(Cl)s1.Nc1nonc16.[C@@H]18CCC[C@@H]15.C26=O.C37=O.N24.C48.N35
|
CCc1ccc(F)c(C(=O)N2C[C@H](NC(=O)COCC(C)(C)C)C[C@H](OC)C2)c1
|
CCccccF)cC=O)NC[C@H]NC=O)COCCC)C)C)))))))C[C@H]OC))C6)))))))c6
|
[C][C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][O][C][C][Branch1][C][C][Branch1][C][C][C][C][C@H1][Branch1][Ring1][O][C][C][Ring2][Ring1][C][=C][Ring2][Ring1][O]
|
c1%10ccc(F)c9c1.N13C[C@@H]7C[C@@H]8C1.C6C(C)(C)C.C4(=O)C5.C39=O.CC%10.N48.O56.O7C
|
CN1CC[C@](NC(=O)Cn2cc(CO)nn2)(C(=O)N[C@@H]2C[C@@H](CO)C23CCC3)C1
|
CNCC[C@]NC=O)CnccCO))nn5))))))))C=O)N[C@@H]C[C@@H]CO))C4CCC4)))))))))C5
|
[C][N][C][C][C@][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][Ring1][C][O][N][=N][Ring1][#Branch1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][Branch1][Ring1][C][O][C][Ring1][=Branch1][C][C][C][Ring1][Ring2][C][Ring2][Ring1][N]
|
[C@@H]17C[C@@H]%11C12CCC2.CN1CC[C@]68C1.n19cc%10nn1.C4(=O)C9.C58=O.N46.C%10O.N57.C%11O
|
CCOCC(=O)N[C@H](C)CCN(C)C(=O)c1ccc(C)c(F)c1N
|
CCOCC=O)N[C@H]C)CCNC)C=O)ccccC)cF)c6N
|
[C][C][O][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Ring1][Branch2][N]
|
c18ccc(C)c(F)c1N.[C@@H]6(C)CC7.C5C2=O.N37C.C38=O.CC4.O45.N26
|
COc1sccc1C(=O)NC1CCN(C(=O)[C@]2(C)CC=C(C)CC2)CC1
|
COcsccc5C=O)NCCCNC=O)[C@]C)CC=CC)CC6)))))))CC6
|
[C][O][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][=C][Branch1][C][C][C][C][Ring1][Branch2][C][C][Ring1][S]
|
[C@@]17(C)CC=C(C)CC1.C16CCN4CC1.c15sccc18.C38=O.C47=O.CO5.N36
|
CO[C@](C)(C(=O)N(C)CC1(O)CN(C(=O)[C@H](SC)C(C)(C)C)C1)C1CC1
|
CO[C@]C)C=O)NC)CCO)CNC=O)[C@H]SC))CC)C)C))))C4)))))))CCC3
|
[C][O][C@][Branch1][C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][O][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][Branch1][Ring1][S][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=C][C][C][C][Ring1][Ring1]
|
C3(=O)[C@H]6C(C)(C)C.[C@]47(C)C2=O.C18(O)CN3C1.N25C.C17CC1.CO4.C58.S6C
|
CCCn1nccc1-c1cncc(NC(=O)c2csnn2)c1
|
CCCnnccc5-ccnccNC=O)ccsnn5)))))))c6
|
[C][C][C][N][N][=C][C][=C][Ring1][Branch1][C][=C][N][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][S][N][=N][Ring1][Branch1][=C][Ring1][=C]
|
c17cncc4c1.n16nccc17.c15csnn1.CCC6.C35=O.N34
|
O=C(c1ccc(-c2cccs2)cn1)N1CCCNC(=O)C12CCC2
|
O=Ccccc-ccccs5)))))cn6))))))NCCCNC=O)C7CCC4
|
[O][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=N][Ring1][O][N][C][C][C][N][C][=Branch1][C][=O][C][Ring1][Branch2][C][C][C][Ring1][Ring2]
|
N13CCCNC(=O)C12CCC2.c14ccc5cn1.c15cccs1.O=C34
|
CC(C)(C)OC(=O)N1CC2(C1)[C@H](NC/C=C/c1ccco1)CCS2(=O)=O
|
CCC)C)OC=O)NCCC4)[C@H]NC/C=C/cccco5)))))))))CCS5=O)=O
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch1][Ring2][C][Ring1][Ring2][C@H1][Branch1][N][N][C][/C][=C][/C][=C][C][=C][O][Ring1][Branch1][C][C][S][Ring1][#C][=Branch1][C][=O][=O]
|
N14CC2(C1)[C@H]7CCS2(=O)=O.C=8c1ccco1.CC5(C)C.C34=O.C6C=8.O35.N67
|
CSc1cnc(NC(=O)[C@@]2(C)CCN(Cc3cccc(Cl)c3Br)C2)s1
|
CSccncNC=O)[C@@]C)CCNCcccccCl)c6Br))))))))C5)))))))s5
|
[C][S][C][=C][N][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][N][Branch1][=C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Br][C][Ring1][#C][S][Ring2][Ring1][#Branch1]
|
c18cccc(Cl)c1Br.[C@]17(C)CCN5C1.c19cnc6s1.C47=O.CS9.N46.C58
|
C=CC[C@H](CNC(=O)c1oc(CC)nc1C)NC(=O)[C@]1(C)CC[C@H](C)C1(C)C
|
C=CC[C@H]CNC=O)cocCC))nc5C)))))))))NC=O)[C@]C)CC[C@H]C)C5C)C
|
[C][=C][C][C@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][O][C][Branch1][Ring1][C][C][=N][C][=Ring1][#Branch1][C][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C@H1][Branch1][C][C][C][Ring1][#Branch1][Branch1][C][C][C]
|
[C@@]17(C)CC[C@H](C)C1(C)C.c16oc8nc1C.C=CC[C@@H]4C5.C26=O.C37=O.N25.C8C.N34
|
CCC(NS(=O)(=O)N1CCOCC1C)C(C)(C)C(=O)O
|
CCCNS=O)=O)NCCOCC6C)))))))))CC)C)C=O)O
|
[C][C][C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O]
|
N2S(=O)(=O)N1CCOCC1C.CCC2C(C)(C)C(=O)O
|
N[C@]12COCC[C@H]1CN(C(=O)c1cncc3c(Cl)cccc13)C2
|
N[C@]COCC[C@H]6CNC=O)ccncccCl)cccc%106)))))))))))C9
|
[N][C@][C][O][C][C][C@H1][Ring1][=Branch1][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][O][Ring1][#Branch1][C][Ring2][Ring1][=Branch1]
|
c15cncc2c(Cl)cccc12.N[C@]12COCC[C@H]1CN4C2.C45=O
|
CSCC1(CNC(=O)[C@@H]2[C@H](O)CCN2C(=O)CCCn2ccnc2)CC1
|
CSCCCNC=O)[C@@H][C@H]O)CCN5C=O)CCCnccnc5)))))))))))))))))CC3
|
[C][S][C][C][Branch2][Ring1][#C][C][N][C][=Branch1][C][=O][C@@H1][C@H1][Branch1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][C][Ring2][Ring1][#Branch1]
|
[C@@H]17[C@H](O)CCN14.C4(=O)CCC8.n18ccnc1.C19%10CC1.C37=O.CS6.C69.C5%10.N35
|
Cc1ccsc1CC(=O)NC[C@]1(C)CCCN1C(=O)[C@H]1CCN(CC(C)C)C1
|
Ccccsc5CC=O)NC[C@]C)CCCN5C=O)[C@H]CCNCCC)C)))C5
|
[C][C][C][=C][S][C][=Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][C][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2]
|
[C@@]17(C)CCCN13.Cc1ccsc18.[C@H]16CCN5C1.C8C2=O.C5C(C)C.C36=O.N24.C47
|
CC[C@@H]1C[C@@H]1[C@@H](C(=O)NCC(C)C)N1CCC(CC)(CO)CC1
|
CC[C@@H]C[C@@H]3[C@@H]C=O)NCCC)C)))))NCCCCC))CO))CC6
|
[C][C][C@@H1][C][C@@H1][Ring1][Ring1][C@@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][N][C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][O][C][C][Ring1][#Branch2]
|
N13CCC78CC1.[C@H]36C2=O.[C@@H]15C[C@@H]16.C4C(C)C.CC5.N24.C7C.C8O
|
O=C1C[C@H](C(=O)N2CC3(CCN(C(=O)c4nnc5n4CCCC5)C3)C2)N1
|
O=CC[C@H]C=O)NCCCCNC=O)cnncn5CCCC6))))))))))C5))))C4)))))N4
|
[O][=C][C][C@H1][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][O][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][Ring1][S][C][Ring2][Ring1][Ring1][N][Ring2][Ring1][=Branch2]
|
N16CC2(CCN7C2)C1.c19nnc2n1CCCC2.O=C1C[C@H]8N1.C68=O.C79=O
|
Cc1nc(Cl)ccc1CC(=O)N[C@H]1CCN(c2nc(C#N)ncc2Cl)C[C@H]1C
|
CcncCl)ccc6CC=O)N[C@H]CCNcncC#N))ncc6Cl)))))))C[C@H]6C
|
[C][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][=C][C][=N][C][Branch1][Ring1][C][#N][=N][C][=C][Ring1][Branch2][Cl][C][C@H1][Ring1][#C][C]
|
c14nc(C#N)ncc1Cl.Cc1nc(Cl)ccc16.[C@H]15CCN4C[C@H]1C.C6C3=O.N35
|
C#Cc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)OC)C[C@@H]2O)c(OC)c1
|
C#CccccC=O)N[C@@H]C[C@H]C=O)OC)))C[C@@H]5O))))))))cOC))c6
|
[C][#C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C@@H1][Ring1][=Branch2][O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1]
|
C#Cc1ccc8c5c1.[C@@H]16C[C@H]7C[C@@H]1O.C48=O.C37=O.N46.O3C.O5C
|
C[C@H](Cc1nncn1C)NC(=O)C1CC(n2cc([C@H]3CCCS(=O)(=O)C3)nn2)C1
|
C[C@H]Ccnncn5C)))))))NC=O)CCCncc[C@H]CCCS=O)=O)C6))))))nn5)))))C4
|
[C][C@H1][Branch1][#Branch2][C][C][=N][N][=C][N][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][C][Branch2][Ring1][Branch2][N][C][=C][Branch1][#C][C@H1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][Branch2][N][=N][Ring1][=N][C][Ring1][P]
|
[C@H]19CCCS(=O)(=O)C1.c17nncn1C.n18cc9nn1.C16CC8C1.C[C@@H]5C7.C46=O.N45
|
CN(C)C[C@H](O)CC(=O)NC1CCN(C(=O)[C@@H]2[C@H](C#N)C2(C)C)CC1
|
CNC)C[C@H]O)CC=O)NCCCNC=O)[C@@H][C@H]C#N))C3C)C)))))CC6
|
[C][N][Branch1][C][C][C][C@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@@H1][C@H1][Branch1][Ring1][C][#N][C][Ring1][Branch1][Branch1][C][C][C][C][C][Ring1][#C]
|
C5[C@H](O)CC3=O.C16CCN4CC1.[C@@H]17[C@H](C#N)C1(C)C.CN5C.C47=O.N36
|
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