SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
CC[C@@H]1C(=O)NCCN1C(=O)C1([C@H](C)NC(=O)[C@@H](C)[C@H](O)CC(C)C)CC1
|
CC[C@@H]C=O)NCCN6C=O)C[C@H]C)NC=O)[C@@H]C)[C@H]O)CCC)C))))))))CC3
|
[C][C][C@@H1][C][=Branch1][C][=O][N][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch2][Ring1][Branch2][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C][C][Branch1][C][C][C][C][C][Ring1][S]
|
C3(=O)[C@@H](C)[C@H](O)CC(C)C.[C@@H]16C(=O)NCCN12.C157CC1.C25=O.[C@@H]47C.CC6.N34
|
CC1(CC(=O)N2C[C@H](F)[C@H](NC(=O)c3cc4c(nn3)CCC4)C2)CCOCC1
|
CCCC=O)NC[C@H]F)[C@H]NC=O)ccccnn6))CCC5)))))))))C5)))))))CCOCC6
|
[C][C][Branch2][Ring2][Branch2][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][F][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][N][=N][Ring1][=Branch1][C][C][C][Ring1][#Branch1][C][Ring2][Ring1][C][C][C][O][C][C][Ring2][Ring1][O]
|
c18cc2c(nn1)CCC2.CC19CCOCC1.N15C[C@@H]7[C@@H](F)C1.C9C5=O.C68=O.N67
|
FC[C@@H]1CN(c2nc(=NC3CN(CC(F)(F)F)C3)[nH]c3c2CCCC3)CCO1
|
FC[C@@H]CNcnc=NCCNCCF)F)F)))C4)))))[nH]cc6CCCC6))))))))))CCO6
|
[F][C][C@@H1][C][N][Branch2][Ring2][Ring2][C][=N][C][=Branch2][Ring1][Ring1][=N][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=Branch2][NH1][C][=C][Ring1][S][C][C][C][C][Ring1][=Branch1][C][C][O][Ring2][Ring1][#Branch2]
|
c15nc(=NC2CN4C2)[nH]c2c1CCCC2.[C@@H]16CN5CCO1.C4C(F)(F)F.FC6
|
CCN(C[C@@H](C)NC(=O)c1ccc2nn[nH]c2n1)C(=O)CC=C(C)C
|
CCNC[C@@H]C)NC=O)ccccnn[nH]c5n9)))))))))))))C=O)CC=CC)C
|
[C][C][N][Branch2][Ring1][Branch2][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=N][NH1][C][Ring1][Branch1][=N][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][C]
|
c18ccc2nn[nH]c2n1.C4(=O)CC=9.C6[C@H]7C.N456.C38=O.C=9(C)C.CC5.N37
|
CC(C)=CC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H](O)CC(=O)OC(C)(C)C
|
CCC)=CC=O)N[C@@H]Ccccccc6[C@H]9NC=O)[C@@H]O)CC=O)OCC)C)C
|
[C][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring1][=Branch2][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
[C@@H]17Cc2ccccc2[C@H]1N5.C5(=O)[C@@H](O)CC3=O.C=8C4=O.C6(C)(C)C.CC=8C.N47.O36
|
C[C@H](NC(=O)Cn1cnc(Br)c1)[C@@H]1CCN(C(=O)[C@]23C[C@@H]4C[C@@H]2[C@H]3[C@H]4O)C1
|
C[C@H]NC=O)CncncBr)c5))))))))[C@@H]CCNC=O)[C@]C[C@@H]C[C@@H]5[C@H]6[C@H]5O)))))))))C5
|
[C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][C][Br][=C][Ring1][=Branch1][C@@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@][C][C@@H1][C][C@@H1][Ring1][Branch1][C@H1][Ring1][=Branch1][C@H1][Ring1][Branch1][O][C][Ring1][#C]
|
[C@]128C[C@@H]3C[C@@H]1[C@H]2[C@H]3O.n19cnc(Br)c1.[C@@H]1%10CCN6C1.C5(=O)C9.C[C@H]7%10.C68=O.N57
|
CC(C)=C(C)C(=O)NC1CC(F)(CNC(=O)CCn2cnc(C)cc2=O)C1
|
CCC)=CC)C=O)NCCCF)CNC=O)CCncncC)cc6=O))))))))))))C4
|
[C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][N][C][=N][C][Branch1][C][C][=C][C][Ring1][#Branch1][=O][C][Ring2][Ring1][Ring1]
|
n18cnc(C)cc1=O.C16CC9(F)C1.C=7(C)C3=O.C4(=O)CC8.CC=7C.N36.C59.N45
|
O=C(c1c[nH]c(C(F)(F)F)c1)N1CCC[C@@H](NC(=O)C23CCC(CC2)C3)C1
|
O=Ccc[nH]cCF)F)F))c5)))))NCCC[C@@H]NC=O)CCCCCC6))C5)))))))C6
|
[O][=C][Branch2][Ring1][C][C][=C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=Branch2][N][C][C][C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][Ring1][#Branch1][C][Ring1][S]
|
N14CCC[C@@H]6C1.C127CCC(CC1)C2.c18c[nH]c9c1.C9(F)(F)F.O=C48.C57=O.N56
|
C=CCO[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(CO)cc2)[C@@H](C(F)F)C1
|
C=CCO[C@@H]C)C=O)NCCNC=O)ccccCO))cc6)))))))[C@@H]CF)F))C6
|
[C][=C][C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C@@H1][Branch1][=Branch1][C][Branch1][C][F][F][C][Ring2][Ring1][Ring1]
|
N13CCN4[C@@H]8C1.c17ccc9cc1.[C@H]6(C)C3=O.C=CC5.C47=O.C8(F)F.O56.C9O
|
COC(=O)[C@@H]1[C@H]2C[C@@H]1N(C(=O)[C@@H](NC(=O)[C@H]1CCO1)C1(O)CCC1)C2
|
COC=O)[C@@H][C@H]C[C@@H]4NC=O)[C@@H]NC=O)[C@H]CCO4))))))CO)CCC4))))))C5
|
[C][O][C][=Branch1][C][=O][C@@H1][C@H1][C][C@@H1][Ring1][Ring2][N][Branch2][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch1][N][N][C][=Branch1][C][=O][C@H1][C][C][O][Ring1][Ring2][C][Branch1][C][O][C][C][C][Ring1][Branch1][C][Ring2][Ring1][Ring2]
|
[C@@H]18[C@H]2C[C@@H]1N4C2.C4(=O)[C@@H]69.C19(O)CCC1.[C@H]17CCO1.C38=O.C57=O.CO3.N56
|
Cc1cccc(C(F)(F)C(=O)NCCCCCCNC(=O)C2OCCO2)c1
|
CcccccCF)F)C=O)NCCCCCCNC=O)COCCO5))))))))))))))))c6
|
[C][C][=C][C][=C][C][Branch2][Ring1][#C][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][O][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][#Branch2]
|
Cc1cccc8c1.C5CCCCC6.C8(F)(F)C3=O.C17OCCO1.C47=O.N35.N46
|
C[C@H](NC(=O)c1ccc2c(c1)OCCNC2=O)c1cn(Cc2ccco2)nn1
|
C[C@H]NC=O)cccccc6)OCCNC7=O)))))))))))))ccnCcccco5))))))nn5
|
[C][C@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][N][C][Ring1][Branch2][=O][C][=C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][N][=N][Ring1][O]
|
c15ccc2c(c1)OCCNC2=O.c17cn6nn1.c18ccco1.C[C@H]47.C35=O.N34.C68
|
CC(=O)Nc1cc(Cl)ccc1C(=O)NC[C@H]1C=CCN1C(=O)[C@@H]1CC12CCC2
|
CC=O)NcccCl)ccc6C=O)NC[C@H]C=CCN5C=O)[C@@H]CC3CCC4
|
[C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@H1][C][=C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][C][C][C][Ring1][Ring2]
|
c17cc(Cl)ccc19.[C@H]1%10C=CCN15.[C@@H]18CC12CCC2.CC3=O.C49=O.C58=O.N37.N46.C6%10
|
CSCC(=O)N1CC[C@@H]2CC[C@@H](NC(=O)CCCCc3ccccc3)[C@@H]21
|
CSCC=O)NCC[C@@H]CC[C@@H]NC=O)CCCCcccccc6))))))))))))[C@@H]58
|
[C][S][C][C][=Branch1][C][=O][N][C][C][C@@H1][C][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring2][Ring1][C][Ring2][Ring1][Branch1]
|
N14CC[C@@H]2CC[C@@H]7[C@@H]21.C5(=O)CCCC8.c18ccccc1.C6C4=O.CS6.N57
|
CS[C@H](C(=O)N[C@H]1CN(C(=O)c2sccc2C)CC[C@H]1F)c1ccccc1
|
CS[C@H]C=O)N[C@H]CNC=O)csccc5C)))))))CC[C@H]6F)))))))))cccccc6
|
[C][S][C@H1][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][C][C][C@H1][Ring1][=C][F][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
[C@H]16CN4CC[C@H]1F.c17sccc1C.c18ccccc1.[C@H]58C3=O.C47=O.CS5.N36
|
Cn1cc(COC(=O)c2noc3c2COCC3)c(-c2ccc(C#N)cc2)n1
|
CnccCOC=O)cnocc5COCC6))))))))))))c-ccccC#N))cc6))))))n5
|
[C][N][C][=C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][O][C][C][Ring1][=Branch1][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][Ring2][Ring1][#Branch2]
|
c16noc2c1COCC2.c18ccc(C#N)cc1.Cn1cc7c8n1.C46=O.C57.O45
|
CC(C)S(=O)(=O)CC(=O)N1CC=C[C@@H]1CNC(=O)CCC1(N(C)C)CCCCC1
|
CCC)S=O)=O)CC=O)NCC=C[C@@H]5CNC=O)CCCNC)C))CCCCC6
|
[C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][=C][C@@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch2]
|
CC(C)S(=O)(=O)CC2=O.C157CCCCC1.N12CC=C[C@@H]16.C3(=O)CC7.N5(C)C.C46.N34
|
CC[C@@H](Br)C(=O)N1CC[C@@H]2[C@H]1CCN2C(=O)c1cccc2nc(C)sc12
|
CC[C@@H]Br)C=O)NCC[C@@H][C@H]5CCN5C=O)cccccncC)sc95
|
[C][C][C@@H1][Branch1][C][Br][C][=Branch1][C][=O][N][C][C][C@@H1][C@H1][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][N][=C][Branch1][C][C][S][C][Ring1][#Branch2][=Ring1][=Branch1]
|
c15cccc2nc(C)sc12.N13CC[C@@H]2[C@H]1CCN24.CC[C@@H](Br)C3=O.C45=O
|
CC(C)(CNC(=O)[C@@H]1NC(=O)[C@H]2CC[C@H]21)CNC(=O)C1(O)CCOCC1
|
CCC)CNC=O)[C@@H]NC=O)[C@H]CC[C@H]47))))))))))CNC=O)CO)CCOCC6
|
[C][C][Branch1][C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@@H1][N][C][=Branch1][C][=O][C@H1][C][C][C@H1][Ring1][Ring2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][C][O][C][C][Ring1][#Branch1]
|
[C@@H]17NC(=O)[C@H]2CC[C@@H]12.C18(O)CCOCC1.CC(C)(C5)C6.C37=O.C48=O.N35.N46
|
Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@@]34CC[C@@H](C3)OC4)C(C)(C)C2)cc1
|
CccccC=O)NC[C@@H]NC=O)[C@@]CC[C@@H]C5)OC6))))))))CC)C)C5))))))cc6
|
[C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][O][C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][P][C][=C][Ring2][Ring1][=Branch2]
|
N15C[C@@H]7C(C)(C)C1.Cc1ccc9cc1.[C@@]128CC[C@@H](C1)OC2.C59=O.C68=O.N67
|
C[C@H]1CCc2ccccc2CN1C(=O)COc1ccc(Cl)cc1Br
|
C[C@H]CCcccccc6CN%11C=O)COccccCl)cc6Br
|
[C][C@H1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Br]
|
C[C@H]1CCc2ccccc2CN13.c15ccc(Cl)cc1Br.C3(=O)C4.O45
|
COc1ccc2c(c1)OCC(CNc1ccc3c(c1)S(=O)(=O)CC(=O)N3)=C2
|
COcccccc6)OCCCNcccccc6)S=O)=O)CC=O)N6)))))))))))=C6
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][Branch2][Ring1][N][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][Ring1][#Branch2][=C][Ring2][Ring1][=Branch1]
|
c16ccc2c(c1)S(=O)(=O)CC(=O)N2.c14ccc2c(c1)OCC(C5)=C2.CO4.N56
|
CN1C(=O)NC[C@@H]1C(=O)N1CCSC[C@@H]1CCNC(=O)CSc1ccc(F)cc1
|
CNC=O)NC[C@@H]5C=O)NCCSC[C@@H]6CCNC=O)CSccccF)cc6
|
[C][N][C][=Branch1][C][=O][N][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][S][C][C@@H1][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CN1C(=O)NC[C@@H]16.N12CCSC[C@@H]17.c18ccc(F)cc1.C3(=O)C5.C26=O.C7C4.N34.S58
|
O=C(NCCc1nc[nH]n1)[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC(C2CC2)=NO1
|
O=CNCCcnc[nH]n5))))))))[C@H]C[C@H]CC[C@@H]6N5C=O)[C@@H]CCCCC3)))=NO5
|
[O][=C][Branch1][O][N][C][C][C][N][=C][NH1][N][=Ring1][Branch1][C@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2]
|
[C@H]17C[C@H]2CC[C@@H]1N24.[C@@H]16CC(C2CC2)=NO1.c18nc[nH]n1.O=C37.C5C8.C46=O.N35
|
C#CC[C@]1(C(=O)NCc2cccc(CNC(=O)C=CC)c2)CC=CCC1
|
C#CC[C@]C=O)NCcccccCNC=O)C=CC))))))c6)))))))))CC=CCC6
|
[C][#C][C][C@][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Ring1][=N][C][C][=C][C][C][Ring2][Ring1][#Branch1]
|
[C@]179CC=CCC1.c1%10cccc%11c1.C4(=O)C=8.C#CC9.C37=O.N35.C5%10.C6%11.N46.C=8C
|
C[C@H](CNC(=O)/C=C/CC1(NC(=O)CC2(N(C)C)CC2)CCC1)C(C)(F)F
|
C[C@H]CNC=O)/C=C/CCNC=O)CCNC)C))CC3))))))CCC4))))))))))CC)F)F
|
[C][C@H1][Branch2][Ring2][Branch1][C][N][C][=Branch1][C][=O][/C][=C][/C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][C][Ring1][=Branch1][C][C][C][Ring1][=C][C][Branch1][C][C][Branch1][C][F][F]
|
C[C@H](C5)C(C)(F)F.C169CCC1.C3(=O)C=8.C4(=O)C%10.C17%10CC1.C=8C9.N7(C)C.N35.N46
|
COCCCOCCC(=O)N(C)CCn1cc(-c2ccc(F)c(C)n2)nn1
|
COCCCOCCC=O)NC)CCncc-ccccF)cC)n6))))))nn5
|
[C][O][C][C][C][O][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][C][=N][Ring1][Branch2][N][=N][Ring1][=N]
|
c19ccc(F)c(C)n1.n18cc9nn1.C6CC3=O.C4CC5.N37C.C7C8.CO4.O56
|
CO[C@@H]1CCN(CCNC(=O)[C@H](NC(=O)COCCN(C)C)c2ccccc2)C1
|
CO[C@@H]CCNCCNC=O)[C@H]NC=O)COCCNC)C))))))))cccccc6)))))))))))C5
|
[C][O][C@@H1][C][C][N][Branch2][Ring1][P][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][O][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][O]
|
[C@@H]18CCN9C1.c14ccccc1.C3(=O)[C@H]%114.C5(=O)C6.C9C%10.C7C%12.N%12(C)C.CO8.N3%10.N5%11.O67
|
COC[C@]1(C(=O)N2CC[C@H](c3cnn[nH]3)C2)C=CCN1C(=O)C(=O)C(C)C
|
COC[C@]C=O)NCC[C@H]ccnn[nH]5)))))C5))))))C=CCN5C=O)C=O)CC)C
|
[C][O][C][C@][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][Branch2][C][=C][N][=N][NH1][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][N][Ring1][P][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Branch1][C][C][C]
|
[C@]178C=CCN15.C5(=O)C(=O)C(C)C.N14CC[C@H]9C1.c19cnn[nH]1.C47=O.CO6.C68
|
CCCn1nc(C)nc1-c1c(Cl)ccc2ncccc12
|
CCCnncC)nc5-ccCl)cccncccc%106
|
[C][C][C][N][N][=C][Branch1][C][C][N][=C][Ring1][=Branch1][C][=C][Branch1][C][Cl][C][=C][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1]
|
c14c(Cl)ccc2ncccc12.n13nc(C)nc14.CCC3
|
CCN(CC(=O)N[C@@H]1C[C@H]1C1CCN(C(=O)[C@H](C)NC(C)=O)CC1)C1CC1
|
CCNCC=O)N[C@@H]C[C@H]3CCCNC=O)[C@H]C)NCC)=O)))))CC6))))))))))))CCC3
|
[C][C][N][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C@@H1][C][C@H1][Ring1][Ring1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][Branch1][C][C][=O][C][C][Ring1][=C][C][C][C][Ring1][Ring1]
|
[C@@H]19C[C@H]1C1CCN3CC1.C3(=O)[C@@H]7C.C6C2=O.N568.C4(C)=O.C18CC1.CC5.N29.N47
|
O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NC1(CNC(=O)c2c(F)ccnc2Cl)CCOCC1
|
O=CC[C@H]C[C@H]CC[C@H]6O5))))))))NCCNC=O)ccF)ccnc6Cl))))))))))CCOCC6
|
[O][=C][Branch1][=N][C][C@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][O][Ring1][Branch1][N][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][N][=C][Ring1][#Branch1][Cl][C][C][O][C][C][Ring2][Ring1][C]
|
c17c(F)ccnc1Cl.[C@H]18C[C@H]2CC[C@H]1O2.C159CCOCC1.O=C3C8.C47=O.N35.C69.N46
|
CN1CC(C(=O)N2CC[C@]3(C[C@@H]3NC(=O)[C@H](O)C(F)(F)F)C2)C1
|
CNCCC=O)NCC[C@]C[C@@H]3NC=O)[C@H]O)CF)F)F)))))))C5))))))C4
|
[C][N][C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C@][Branch2][Ring1][=Branch1][C][C@@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][S][C][Ring2][Ring1][=Branch1]
|
N14CC[C@]2(C[C@@H]26)C1.C5(=O)[C@H](O)C(F)(F)F.CN1CC7C1.C47=O.N56
|
CCC(CC)C(=O)NC[C@@]1(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2O3)CCCC[C@@H]1C
|
CCCCC))C=O)NC[C@@]NC=O)C[C@H]C[C@H]CC[C@@H]6O5))))))))))CCCC[C@@H]6C
|
[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C@@][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][O][Ring1][Branch1][C][C][C][C][C@@H1][Ring1][P][C]
|
[C@@]178CCCC[C@@H]1C.CCC(CC)C4=O.[C@H]19C[C@H]2CC[C@@H]1O2.C5(=O)C9.N46.C68.N57
|
CCN(C[C@@H](C)NC(=O)c1ccncc1O)C(=O)c1cnc2cccnc2c1
|
CCNC[C@@H]C)NC=O)cccncc6O)))))))))))C=O)ccnccccnc6c%10
|
[C][C][N][Branch2][Ring1][Ring2][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
c19cnc2cccnc2c1.c18ccncc1O.C6[C@H]7C.N456.C38=O.C49=O.CC5.N37
|
Cc1cc(CCC(=O)N2C[C@H]3CCC[C@@H](C2)N3C(=O)CNc2ccccc2)on1
|
CcccCCC=O)NC[C@H]CCC[C@@H]C8)N6C=O)CNcccccc6))))))))))))))))))))on5
|
[C][C][C][=C][Branch2][Ring2][Ring2][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring2][Ring1][N]
|
N14C[C@H]2CCC[C@@H](C1)N25.Cc1cc8on1.c17ccccc1.C8CC4=O.C5(=O)C6.N67
|
COC[C@]1(C(=O)N2C[C@H](C)[C@H](NC(=O)c3scc(C)c3Cl)C2)CCCO1
|
COC[C@]C=O)NC[C@H]C)[C@H]NC=O)csccC)c5Cl))))))))C5))))))CCCO5
|
[C][O][C][C@][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][S][C][=C][Branch1][C][C][C][=Ring1][=Branch1][Cl][C][Ring1][S][C][C][C][O][Ring2][Ring1][#Branch1]
|
N14C[C@@H]7[C@@H](C)C1.c19scc(C)c1Cl.[C@]18%10CCCO1.C48=O.C59=O.CO6.C6%10.N57
|
CC(C)(CC1CC1)C(=O)N1CCC[C@H]1C(=O)NCC1CC2(CC(O)C2)C1
|
CCC)CCCC3))))C=O)NCCC[C@H]5C=O)NCCCCCCO)C4)))C4
|
[C][C][Branch1][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=Branch2][C][C][Branch1][C][O][C][Ring1][Branch1][C][Ring1][Branch2]
|
C18CC2(C1)CC(O)C2.CC(C)(C7)C3=O.N13CCC[C@H]16.C17CC1.C46=O.N45.C58
|
O=C(CC1CC(CF)C1)NCCCN1CCN(C(=O)C2(CC3CCC3)CC2)CC1
|
O=CCCCCCF))C4)))))NCCCNCCNC=O)CCCCCC4)))))CC3))))CC6
|
[O][=C][Branch1][N][C][C][C][C][Branch1][Ring1][C][F][C][Ring1][=Branch1][N][C][C][C][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C][C][Ring1][Branch2][C][C][Ring1][S]
|
N17CCN5CC1.C19CC%10C1.O=C4C9.C6CC7.C18%11CC1.C1%12CCC1.C58=O.C%10F.N46.C%11%12
|
CC[C@H]1CC[C@H](C(=O)NC[C@@H](F)CNC(=O)c2cc(C#N)c(C)cn2)CC1
|
CC[C@H]CC[C@H]C=O)NC[C@@H]F)CNC=O)cccC#N))cC)cn6)))))))))))))CC6
|
[C][C][C@H1][C][C][C@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][F][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][C][C][C][=N][Ring1][=Branch2][C][C][Ring2][Ring1][=Branch2]
|
c17cc(C#N)c(C)cn1.[C@H]19CC[C@H]8CC1.C5[C@@H](F)C6.C38=O.C47=O.CC9.N35.N46
|
O=C(C[C@H]1CCCN1C(=O)C=C[C@H]1CCOC1)NOCC(F)(F)F
|
O=CC[C@H]CCCN5C=O)C=C[C@H]CCOC5))))))))))))))NOCCF)F)F
|
[O][=C][Branch2][Ring1][=Branch1][C][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C@H1][C][C][O][C][Ring1][Branch1][N][O][C][C][Branch1][C][F][Branch1][C][F][F]
|
O=C(C5)NO3.[C@H]15CCCN12.C=4[C@H]1CCOC1.C3C(F)(F)F.C2(=O)C=4
|
Cn1cc(CNC(=O)Nc2ccc3oc(C(F)F)cc3c2)cn1
|
CnccCNC=O)NccccocCF)F))cc5c9)))))))))))))cn5
|
[C][N][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][C][Ring1][Branch2][=C][Ring1][N][C][=N][Ring2][Ring1][=Branch1]
|
c17ccc2oc8cc2c1.Cn1cc9cn1.C45=O.C8(F)F.C69.N46.N57
|
CCOc1cccc2c(=O)c(C(=O)N[C@H](C)c3cncnc3)c[nH]c12
|
CCOcccccc=O)cC=O)N[C@H]C)ccncnc6)))))))))c[nH]c%106
|
[C][C][O][C][=C][C][=C][C][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][N][=C][N][=C][Ring1][=Branch1][=C][NH1][C][Ring2][Ring1][=Branch1][=Ring2][Ring1][C]
|
c16cccc2c(=O)c8c[nH]c12.c19cncnc1.C48=O.[C@H]79C.CC5.O56.N47
|
CN(C)C(=O)C(=O)NC[C@@H]1C[C@H]2COC[C@H]2N1c1ncnc2sc([N+](=O)[O-])cc12
|
CNC)C=O)C=O)NC[C@@H]C[C@H]COC[C@H]5N8cncncsc[N+]=O)[O-]))cc95
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][C][O][C][C@H1][Ring1][Branch1][N][Ring1][Branch2][C][=N][C][=N][C][S][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Ring1][N][=Ring1][Branch2]
|
c16ncnc2sc([N+](=O)[O-])cc12.[C@@H]17C[C@H]2COC[C@H]2N16.C3(=O)C4=O.CN3C.N45.C57
|
COc1c[nH]c(C(=O)N[C@H](C)CN(C)C(=O)c2cnoc2C2CC2)cc1=O
|
COcc[nH]cC=O)N[C@H]C)CNC)C=O)ccnoc5CCC3))))))))))))))cc6=O
|
[C][O][C][=C][NH1][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][=C][C][Ring2][Ring1][Branch2][=O]
|
c15c[nH]c8cc1=O.c19cnoc1%10.[C@@H]6(C)C7.C38=O.N47C.C49=O.C1%10CC1.CO5.N36
|
CC(C)CC[C@H](O)C(=O)NC[C@](C)(Cn1cccn1)NC(=O)c1ncncc1F
|
CCC)CC[C@H]O)C=O)NC[C@]C)Cncccn5))))))NC=O)cncncc6F
|
[C][C][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C][=N][C][=N][C][=C][Ring1][=Branch1][F]
|
CC(C)CC[C@H](O)C2=O.c16ncncc1F.C4[C@]5(C)C7.n17cccn1.C36=O.N24.N35
|
C[C@@H](CCN(C)C(=O)c1cc(Cl)ccn1)NC(=O)c1cnn2c1OCCC2
|
C[C@@H]CCNC)C=O)cccCl)ccn6))))))))))NC=O)ccnnc5OCCC6
|
[C][C@@H1][Branch2][Ring1][=Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=N][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=N][N][C][=Ring1][Branch1][O][C][C][C][Ring1][=Branch1]
|
c18cnn2c1OCCC2.c17cc(Cl)ccn1.C[C@H]5CC6.N36C.C37=O.C48=O.N45
|
CCOC1(C(=O)N2CC[C@H](C3(NC(=O)c4nc(Cl)sc4Cl)CC3)C2)CCC1
|
CCOCC=O)NCC[C@H]CNC=O)cncCl)sc5Cl))))))))CC3)))C5))))))CCC4
|
[C][C][O][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][Branch2][C][Branch1][P][N][C][=Branch1][C][=O][C][N][=C][Branch1][C][Cl][S][C][=Ring1][=Branch1][Cl][C][C][Ring1][=N][C][Ring2][Ring1][C][C][C][C][Ring2][Ring1][Branch2]
|
N15CC[C@H](C29CC2)C1.c1%10nc(Cl)sc1Cl.C18%11CCC1.C5%11=O.C6%10=O.CC7.O78.N69
|
CC(C)c1csc(NC(=O)[C@]2(C)CCCN2C(=O)[C@H](C)Oc2ccccn2)n1
|
CCC)ccscNC=O)[C@]C)CCCN5C=O)[C@H]C)Occcccn6))))))))))))))))n5
|
[C][C][Branch1][C][C][C][=C][S][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][C][O][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2]
|
[C@@]18(C)CCCN14.c19csc7n1.c16ccccn1.C4(=O)[C@@H]5C.CC9C.C38=O.N37.O56
|
O=C([C@@H]1C[C@H]1C1CC1)N1C[C@@H]2CN(C(=O)[C@H]3CC[C@H](OC(F)F)CC3)C[C@@H]2C1
|
O=C[C@@H]C[C@H]3CCC3))))))NC[C@@H]CNC=O)[C@H]CC[C@H]OCF)F)))CC6)))))))C[C@@H]5C8
|
[O][=C][Branch1][O][C@@H1][C][C@H1][Ring1][Ring1][C][C][C][Ring1][Ring1][N][C][C@@H1][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C@H1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][F][F][C][C][Ring1][#Branch2][C][C@@H1][Ring1][P][C][Ring2][Ring1][Ring2]
|
N14C[C@@H]2CN5C[C@@H]2C1.[C@H]18CC[C@H]6CC1.[C@@H]17C[C@H]1C1CC1.O6C(F)F.O=C47.C58=O
|
COCCN(CC(=O)NCC(C)(C)OC(C)C)C(=O)c1cc(O)nc(C)n1
|
COCCNCC=O)NCCC)C)OCC)C))))))))C=O)cccO)ncC)n6
|
[C][O][C][C][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=N][C][Branch1][C][C][=N][Ring1][Branch2]
|
c1%10cc(O)nc(C)n1.C9C5(C)C.C8C2=O.C4C7.N378.C6(C)C.C3%10=O.CO4.N29.O56
|
CCc1cc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCC3(C)C)cc2C)ccc1Cl
|
CCcccC=O)NccccNC=O)[C@@H]CCCC5C)C))))))))cc6C)))))))))ccc6Cl
|
[C][C][C][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][Ring1][Branch1][Branch1][C][C][C][C][=C][Ring1][S][C][=C][C][=C][Ring2][Ring1][#Branch2][Cl]
|
c1%10cc9ccc1Cl.c16ccc7cc1C.[C@@H]18CCCC1(C)C.C49=O.C58=O.CC%10.N46.N57
|
CSCC[C@@H](O)CC(=O)N1CCN(C(=O)c2cn(CCF)nn2)[C@@H](CCO)C1
|
CSCC[C@@H]O)CC=O)NCCNC=O)ccnCCF)))nn5))))))[C@@H]CCO)))C6
|
[C][S][C][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][N][Branch1][Ring2][C][C][F][N][=N][Ring1][Branch2][C@@H1][Branch1][Ring2][C][C][O][C][Ring2][Ring1][Ring1]
|
C5C[C@@H](O)CC3=O.N13CCN4[C@@H]8C1.c16cn7nn1.C46=O.C7CF.C8CO.CS5
|
CCn1cnc2c(N[C@@H]3C[C@@H]4CN(C(=O)c5ccncc5Cl)C[C@@H]43)nc(Cl)nc21
|
CCncnccN[C@@H]C[C@@H]CNC=O)cccncc6Cl))))))))C[C@@H]57))))))))ncCl)nc69
|
[C][C][N][C][=N][C][=C][Branch2][Ring1][N][N][C@@H1][C][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl][C][C@@H1][Ring1][=C][Ring1][S][N][=C][Branch1][C][Cl][N][=C][Ring2][Ring1][Branch2][Ring2][Ring1][O]
|
n1%10cnc2c7nc(Cl)nc21.[C@@H]18C[C@@H]2CN6C[C@@H]21.c19ccncc1Cl.C69=O.CC%10.N78
|
O=C(Cc1ccc(O)cc1)NC[C@H]1CCCN1C(=O)[C@H]1CCCS(=O)(=O)N1
|
O=CCccccO)cc6)))))))NC[C@H]CCCN5C=O)[C@H]CCCS=O)=O)N6
|
[O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][Branch2]
|
[C@H]15CCCS(=O)(=O)N1.c17ccc(O)cc1.[C@H]16CCCN13.O=C2C7.C35=O.N24.C46
|
Cc1c(C(=O)N[C@@H]2C[C@@H]2NC(=O)C2(S(C)(=O)=O)CCC2)sc2ncnc(N)c12
|
CccC=O)N[C@@H]C[C@@H]3NC=O)CSC)=O)=O))CCC4)))))))))))scncncN)c96
|
[C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][C][Ring1][Branch2][S][C][=N][C][=N][C][Branch1][C][N][=C][Ring2][Ring1][O][Ring1][#Branch1]
|
Cc1c7sc2ncnc(N)c12.C18(S(C)(=O)=O)CCC1.[C@@H]15C[C@@H]16.C37=O.C48=O.N35.N46
|
CCOC[C@@H](C)C(=O)N[C@@H]1CC[C@H](NC(=O)CCn2ccc3cc(Cl)ccc32)C1
|
CCOC[C@@H]C)C=O)N[C@@H]CC[C@H]NC=O)CCncccccCl)ccc69)))))))))))))C5
|
[C][C][O][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][Ring2][Ring1][Ring2]
|
n1%10ccc2cc(Cl)ccc21.C7[C@@H](C)C4=O.[C@@H]18CC[C@H]9C1.C5(=O)CC%10.CC6.O67.N48.N59
|
CC1(C(=O)N2CC(CO)(NC(=O)c3cc(I)c[nH]3)C2)CCCC1
|
CCC=O)NCCCO))NC=O)cccI)c[nH]5)))))))C4)))))CCCC5
|
[C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][I][=C][NH1][Ring1][=Branch1][C][Ring1][#C][C][C][C][C][Ring2][Ring1][=Branch1]
|
CC18CCCC1.N14CC69C1.c17cc(I)c[nH]1.C48=O.C57=O.C9O.N56
|
CCc1nc(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)C(C)(C)N2CCCCC2)c(C)o1
|
CCcncC=O)NC[C@@H]F)C[C@H]5CNC=O)CC)C)NCCCCC6))))))))))))))))cC)o5
|
[C][C][C][=N][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][F][C][C@H1][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][C][C][O][Ring2][Ring1][O]
|
c19nc7c(C)o1.N13C[C@@H](F)C[C@H]18.C4(=O)C6(C)C.N16CCCCC1.C37=O.CC9.C58.N45
|
CO[C@@H](C(=O)Nc1cnn(C)c1C)C1CN(C(=O)c2cc(C(N)=O)co2)C1
|
CO[C@@H]C=O)NccnnC)c5C))))))))CCNC=O)cccCN)=O))co5))))))C4
|
[C][O][C@@H1][Branch1][P][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][O][Ring1][Branch2][C][Ring1][=C]
|
c16cnn(C)c1C.c17cc8co1.[C@@H]59C3=O.C19CN4C1.C47=O.C8(N)=O.CO5.N36
|
Cc1cc(C)c(N)c(C(=O)NC[C@H](CC(C)C)NC(=O)C=Cc2cncs2)c1
|
CcccC)cN)cC=O)NC[C@H]CCC)C)))NC=O)C=Cccncs5)))))))))))))c6
|
[C][C][=C][C][Branch1][C][C][=C][Branch1][C][N][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][S][Ring1][Branch1][=C][Ring2][Ring1][O]
|
Cc1cc7c(N)c(C)c1.C5[C@@H]6CC(C)C.C=8c1cncs1.C4(=O)C=8.C37=O.N35.N46
|
CC(C)(C)SCCN=c1cccc(S(=O)(=O)N2CCO[C@H](C(F)(F)F)C2)[nH]1
|
CCC)C)SCCN=cccccS=O)=O)NCCO[C@H]CF)F)F))C6)))))))[nH]6
|
[C][C][Branch1][C][C][Branch1][C][C][S][C][C][N][=C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C@H1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][NH1][Ring2][Ring1][Ring1]
|
C4CN=c1cccc(S5(=O)=O)[nH]1.N15CCO[C@H]6C1.CC3(C)C.C6(F)(F)F.S34
|
CCCc1occc1C(=O)N1CC(C[C@H](C)NC(=O)[C@@H](C)COCC)C1
|
CCCcoccc5C=O)NCCC[C@H]C)NC=O)[C@@H]C)COCC)))))))))C4
|
[C][C][C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring1][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][O][C][C][C][Ring1][S]
|
c18occc17.C3(=O)[C@@H](C)C4.N12CC9C1.C9[C@@H]6C.CCC8.C27=O.N36.O45.C5C
|
CC(C)[C@@H](NC(=O)c1cccc(C(F)F)c1F)[C@H](C)NC(=O)c1cc(=O)n(C)o1
|
CCC)[C@@H]NC=O)cccccCF)F))c6F)))))))))[C@H]C)NC=O)ccc=O)nC)o5
|
[C][C][Branch1][C][C][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][Ring1][=Branch2][F][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][O][Ring1][#Branch1]
|
c17cccc8c1F.CC(C)[C@@H]4[C@@H]5C.c16cc(=O)n(C)o1.C27=O.C8(F)F.C36=O.N24.N35
|
NS(=O)(=O)c1sc(=NC[C@@H](O)c2ccc(F)cc2F)[nH]c1-c1ccccc1
|
NS=O)=O)csc=NC[C@@H]O)ccccF)cc6F))))))))))[nH]c5-cccccc6
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][S][C][=Branch2][Ring1][Ring1][=N][C][C@@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][NH1][C][=Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
NS(=O)(=O)c1sc(=NC[C@H]3O)[nH]c14.c13ccc(F)cc1F.c14ccccc1
|
Cc1cc(C(=O)NCC2(O)CC(Nc3cc(CC4CC4)ncn3)C2)nn1CCO
|
CcccC=O)NCCO)CCNcccCCCC3))))ncn6)))))))C4)))))))nn5CCO
|
[C][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][Branch2][Ring1][C][N][C][=C][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][=N][C][=N][Ring1][#Branch2][C][Ring1][S][=N][N][Ring2][Ring1][=Branch2][C][C][O]
|
Cc1cc9nn1%10.c17cc%11ncn1.C1%12(O)CC8C1.C59=O.C1%13CC1.C%10CO.N56.C6%12.N78.C%11%13
|
Cc1cccc(CN2CCc3ccncc3C2)c1
|
CcccccCNCCcccncc6C%10)))))))))))c6
|
[C][C][=C][C][=C][C][Branch1][S][C][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][Ring1][P]
|
N14CCc2ccncc2C1.Cc1cccc5c1.C45
|
Cn1c(Cl)cnc1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC2CCC1CC2
|
CncCl)cnc5C=O)NC[C@H]CCCN5C=O)[C@@H]CCCCC6CC6
|
[C][N][C][Branch1][C][Cl][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1]
|
[C@@H]17CC2CCC1CC2.Cn1c(Cl)cnc16.[C@H]18CCCN14.C36=O.C47=O.N35.C58
|
Cn1cncc1CNc1cn(C)c(C(=O)N(CCN)C(C)(C)C)n1
|
Cncncc5CNccnC)cC=O)NCCN)))CC)C)C))))n5
|
[C][N][C][=N][C][=C][Ring1][Branch1][C][N][C][=C][N][Branch1][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][N][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][S]
|
c16cn(C)c7n1.Cn1cncc18.C5(C)(C)C.C27=O.N245.C4CN.C38.N36
|
CC[C@H](CC(F)(F)F)C(=O)N1CC[C@@H](NC(=O)CN2CC=CC2)C12CC2
|
CC[C@H]CCF)F)F)))C=O)NCC[C@@H]NC=O)CNCC=CC5))))))))C5CC3
|
[C][C][C@H1][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][N][C][C][=C][C][Ring1][Branch1][C][Ring1][=C][C][C][Ring1][Ring1]
|
CC[C@H](CC(F)(F)F)C3=O.N13CC[C@@H]6C12CC2.N15CC=CC1.C4(=O)C5.N46
|
CC1(C)[C@H](CNC(=O)[C@H]2C[C@H]3CC(=O)[C@H]2O3)CCN1C(=O)CN1CCNC(=O)C1
|
CCC)[C@H]CNC=O)[C@H]C[C@H]CC=O)[C@H]6O5))))))))))CCN5C=O)CNCCNC=O)C6
|
[C][C][Branch1][C][C][C@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@H1][C][C@H1][C][C][=Branch1][C][=O][C@H1][Ring1][#Branch1][O][Ring1][=Branch1][C][C][N][Ring2][Ring1][C][C][=Branch1][C][=O][C][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1]
|
CC1(C)[C@H]9CCN15.[C@H]18C[C@H]2CC(=O)[C@H]1O2.N17CCNC(=O)C1.C5(=O)C7.C48=O.C69.N46
|
CCc1cccnc1C(=O)NC[C@H]1C[C@@H](NC(=O)Cc2csnn2)C1
|
CCccccnc6C=O)NC[C@H]C[C@@H]NC=O)Cccsnn5))))))))C4
|
[C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][S][N][=N][Ring1][Branch1][C][Ring1][=N]
|
c1%10cccnc17.[C@H]19C[C@@H]6C1.c18csnn1.C4(=O)C8.C37=O.CC%10.N35.C59.N46
|
COC[C@]1(NC(=O)CC[C@H](C)SC)CCN(C(=O)c2ccc(N)c(Cl)c2)C1
|
COC[C@]NC=O)CC[C@H]C)SC)))))))CCNC=O)ccccN)cCl)c6)))))))C5
|
[C][O][C][C@][Branch1][=C][N][C][=Branch1][C][=O][C][C][C@H1][Branch1][C][C][S][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring2][Ring1][Branch2]
|
c18ccc(N)c(Cl)c1.[C@]169CCN4C1.C3(=O)CC[C@@H]7C.C48=O.CO5.C59.N36.S7C
|
Cc1ccc(CNS(=O)(=O)c2cc(C)cnc2NCc2cccnc2)c(F)c1
|
CccccCNS=O)=O)cccC)cnc6NCccccnc6)))))))))))))))))cF)c6
|
[C][C][=C][C][=C][Branch2][Ring1][#C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][N][=C][Ring1][#Branch1][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring2][Ring1][O]
|
S5(=O)(=O)c1cc(C)cnc16.Cc1ccc7c(F)c1.c18cccnc1.C37.N35.N46.C48
|
O=C(CNC(=O)c1ccc(Cl)cc1)N[C@H]1[C@@H]2C[C@H]1N(C(=O)c1cnsc1)C2
|
O=CCNC=O)ccccCl)cc6)))))))))N[C@H][C@@H]C[C@H]4NC=O)ccnsc5))))))C5
|
[O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C@H1][C@@H1][C][C@H1][Ring1][Ring2][N][Branch1][N][C][=Branch1][C][=O][C][C][=N][S][C][=Ring1][Branch1][C][Ring1][N]
|
c18ccc(Cl)cc1.[C@H]17[C@@H]2C[C@H]1N5C2.c19cnsc1.O=C3C6.C48=O.C59=O.N46.N37
|
NS(=O)(=O)c1scnc1C(=O)NC[C@H]1CCCC2(CN(C(=O)c3ccon3)C2)O1
|
NS=O)=O)cscnc5C=O)NC[C@H]CCCCCNC=O)cccon5))))))C4)))O6
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][S][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C][Branch2][Ring1][Ring1][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][N][=Ring1][Branch1][C][Ring1][O][O][Ring1][S]
|
[C@H]19CCCC2(CN5C2)O1.NS(=O)(=O)c1scnc17.c18ccon1.C47=O.C58=O.N46.C69
|
C[C@@H](Oc1cccc(CO)c1)C(=O)N1C[C@H](CNC(=O)C2(CO)CC2)[C@H](O)C1
|
C[C@@H]OcccccCO))c6)))))))C=O)NC[C@H]CNC=O)CCO))CC3))))))[C@H]O)C5
|
[C][C@@H1][Branch1][=C][O][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C@H1][Branch1][S][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][C][C][Ring1][Branch1][C@H1][Branch1][C][O][C][Ring1][#C]
|
c16cccc%11c1.N13C[C@@H](O)[C@@H]9C1.C[C@@H]5C3=O.C18%10CC1.C48=O.O56.C%11O.C79.N47.C%10O
|
CC[C@H](C)NC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCSC(C)(C)CC1
|
CC[C@H]C)NC=O)[C@@H]cccCl)ccCl)c6))))))NCCSCC)C)CC7
|
[C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][C][S][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2]
|
N14CCSC(C)(C)CC1.c15cc(Cl)cc(Cl)c1.C2(=O)[C@H]45.CC[C@@H]3C.N23
|
CC[C@H](C(=O)NC[C@H]1CC[C@H](N(C)C(=O)[C@H](C)CS(C)(=O)=O)CC1)C(=O)OC
|
CC[C@H]C=O)NC[C@H]CC[C@H]NC)C=O)[C@H]C)CSC)=O)=O))))))CC6)))))))))C=O)OC
|
[C][C][C@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][C@H1][Branch2][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][P][C][=Branch1][C][=O][O][C]
|
C4(=O)[C@H](C)CS(C)(=O)=O.CC[C@@H](C2=O)C3=O.[C@H]17CC[C@H]6CC1.N46C.N35.C57.O2C
|
CC[C@H](C)CCCCC(=O)N[C@H](CNC(=O)c1nccc(F)c1Cl)C1CCCC1
|
CC[C@H]C)CCCCC=O)N[C@H]CNC=O)cncccF)c6Cl))))))))))CCCCC5
|
[C][C][C@H1][Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][Cl][C][C][C][C][C][Ring1][Branch1]
|
CC[C@H](C)CCCCC2=O.c16nccc(F)c1Cl.C17CCCC1.[C@H]47C5.C36=O.N24.N35
|
CC[C@H](C)[C@H](C)C(=O)NC[C@]1(COC)CCN(C(=O)c2sccc2CO)C1
|
CC[C@H]C)[C@H]C)C=O)NC[C@]COC)))CCNC=O)csccc5CO))))))))C5
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@][Branch1][Ring2][C][O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][O][C][Ring1][P]
|
CC[C@H](C)[C@H](C)C3=O.[C@@]189CCN4C1.c17sccc1%10.C47=O.N36.C68.C59.O5C.C%10O
|
CCSCCC(=O)N1C[C@H](CCNC(=O)Cn2cncc2C)O[C@H](C)C1
|
CCSCCC=O)NC[C@H]CCNC=O)Cncncc5C)))))))))))O[C@H]C)C6
|
[C][C][S][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][P][C][C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][O][C@H1][Branch1][C][C][C][Ring2][Ring1][Ring1]
|
N13C[C@@H](C)O[C@@H]9C1.n18cncc1C.C7CC3=O.C4(=O)C8.C9C5.CC6.S67.N45
|
Cc1oc(CO)cc1C(=O)Nc1ccc(-c2cnc[nH]2)cc1
|
CcocCO))cc5C=O)Ncccc-ccnc[nH]5)))))cc6
|
[C][C][O][C][Branch1][Ring1][C][O][=C][C][=Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][=C][N][=C][NH1][Ring1][Branch1][C][=C][Ring1][O]
|
Cc1oc6cc15.c14ccc7cc1.c17cnc[nH]1.C35=O.C6O.N34
|
COC1CC2(C1)CN(C(=O)[C@@H]1C[C@H]3C[C@H]1CN(C(=O)c1ccc(N)cn1)C3)C2
|
COCCCC4)CNC=O)[C@@H]C[C@H]C[C@H]5CNC=O)ccccN)cn6)))))))C6)))))))))C4
|
[C][O][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C@@H1][C][C@H1][C][C@H1][Ring1][Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=N][Ring1][#Branch1][C][Ring1][#C][C][Ring2][Ring1][Branch2]
|
[C@@H]18C[C@H]2C[C@H]1CN5C2.C16CC2(C1)CN4C2.c17ccc(N)cn1.C48=O.C57=O.CO6
|
COC[C@H](C)[C@@H](C)C(=O)N(C)[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)CC1
|
COC[C@H]C)[C@@H]C)C=O)NC)[C@H]CC[C@@H]NC=O)Cnncnn5))))))))CC6
|
[C][O][C][C@H1][Branch1][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][C][C][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][N][N][=C][N][=N][Ring1][Branch1][C][C][Ring1][#C]
|
C5[C@H](C)[C@@H](C)C3=O.[C@H]16CC[C@@H]7CC1.n18ncnn1.C4(=O)C8.N36C.CO5.N47
|
CCNC(=O)CN1CCO[C@H](CNC(=O)[C@H]2CCO[C@@H](C)C2)C1
|
CCNC=O)CNCCO[C@H]CNC=O)[C@H]CCO[C@@H]C)C6)))))))))C6
|
[C][C][N][C][=Branch1][C][=O][C][N][C][C][O][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][O][C@@H1][Branch1][C][C][C][Ring1][#Branch1][C][Ring1][P]
|
N16CCO[C@H]9C1.[C@H]18CCO[C@@H](C)C1.C3(=O)C6.C48=O.CC5.N35.C79.N47
|
CC1CCC(OCC(=O)NC[C@@H]2CCCC[C@H]2NC(=O)[C@H](C)C(C)C)CC1
|
CCCCCOCC=O)NC[C@@H]CCCC[C@H]6NC=O)[C@H]C)CC)C))))))))))))))))CC6
|
[C][C][C][C][C][Branch2][Ring1][#C][O][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][#Branch2]
|
CC1CCC6CC1.[C@@H]19CCCC[C@H]18.C4(=O)[C@H](C)C(C)C.C5C3=O.O56.N37.C79.N48
|
CCCCCCC(CC)(CC)C(=O)NC[C@H](CC)NC(=O)C1=CS(=O)(=O)CCC1
|
CCCCCCCCC))CC))C=O)NC[C@H]CC))NC=O)C=CS=O)=O)CCC6
|
[C][C][C][C][C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Branch2]
|
CCCCCCC(CC)(CC)C2=O.C3(=O)C1=CS(=O)(=O)CCC1.C4[C@@H]5CC.N24.N35
|
CN(C(=O)c1cccc2nc(C(F)F)[nH]c12)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CF)C[C@H]1O
|
CNC=O)cccccncCF)F))[nH]c95))))))))))[C@@H]CNC=O)[C@@H]C[C@H]3CF))))))C[C@H]5O
|
[C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][N][=C][Branch1][=Branch1][C][Branch1][C][F][F][NH1][C][Ring1][N][=Ring1][Branch2][C@@H1][C][N][Branch1][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][F][C][C@H1][Ring1][N][O]
|
c17cccc2nc8[nH]c12.[C@@H]15CN4C[C@H]1O.[C@@H]16C[C@H]19.CN35.C37=O.C8(F)F.C46=O.C9F
|
C[C@@H]1CCN(C(=O)CSc2cc(F)ccc2F)[C@H](CNC(=O)[C@H]2CC(C)(C)O2)C1
|
C[C@@H]CCNC=O)CScccF)ccc6F))))))))))[C@H]CNC=O)[C@H]CCC)C)O4)))))))C6
|
[C][C@@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C@H1][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch1][C][Ring2][Ring1][N]
|
C[C@@H]1CCN3[C@H]8C1.c19cc(F)ccc1F.[C@H]17CC(C)(C)O1.C3(=O)C6.C47=O.S69.C58.N45
|
CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CSc2nc[nH]n2)C[C@H]1O)N1CCCCC1
|
CCC)[C@H]C=O)N[C@@H]CNC=O)CScnc[nH]n5))))))))C[C@H]5O))))))))NCCCCC6
|
[C][C][Branch1][C][C][C@H1][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][S][C][N][=C][NH1][N][=Ring1][Branch1][C][C@H1][Ring1][=C][O][N][C][C][C][C][C][Ring1][=Branch1]
|
CC(C)[C@@H]5C3=O.[C@@H]17CN4C[C@H]1O.N15CCCCC1.c18nc[nH]n1.C4(=O)C6.N37.S68
|
CCc1ccc(C(=O)N[C@]2(C)CCN(C(=O)[C@H](O)[C@@H](OC)C(C)C)C2)nc1
|
CCccccC=O)N[C@]C)CCNC=O)[C@H]O)[C@@H]OC))CC)C)))))C5)))))))nc6
|
[C][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@][Branch1][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][O][C][C][Branch1][C][C][C][C][Ring1][S][N][=C][Ring2][Ring1][=Branch2]
|
C4(=O)[C@H](O)[C@@H]5C(C)C.c18ccc7nc1.[C@@]16(C)CCN4C1.C37=O.CC8.N36.O5C
|
COC(=O)[C@]1(C)CCN1C(=O)[C@@H](F)[C@H](C)CNC(=O)C1(F)CC1
|
COC=O)[C@]C)CCN4C=O)[C@@H]F)[C@H]C)CNC=O)CF)CC3
|
[C][O][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][F][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][F][C][C][Ring1][Ring2]
|
C3(=O)[C@@H](F)[C@H](C)C5.[C@@]16(C)CCN13.C17(F)CC1.C26=O.C47=O.CO2.N45
|
COCCCOCCC(=O)NC[C@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CC1
|
COCCCOCCC=O)NC[C@H]NC=O)[C@@H]OC[C@@H]CCC[C@@H]58))))))))))CCC3
|
[C][O][C][C][C][O][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@@H1][O][C][C@@H1][C][C][C][C@@H1][Ring1][Branch1][Ring1][Branch2][C][C][C][Ring1][Ring1]
|
[C@@H]1%10OC[C@@H]2CCC[C@@H]21.C7CC3=O.C5CC6.C8[C@H]9%11.C4%10=O.C1%11CC1.CO5.O67.N38.N49
|
O=C(N=c1nc[nH]n2c(I)ccc12)N[C@H]1COc2cc(F)c(Br)cc21
|
O=CN=cnc[nH]ncI)ccc95))))))))))N[C@H]COcccF)cBr)cc69
|
[O][=C][Branch2][Ring1][C][N][=C][N][=C][NH1][N][C][Branch1][C][I][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C@H1][C][O][C][=C][C][Branch1][C][F][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Ring1][O]
|
O=C3N=c1nc[nH]n2c(I)ccc12.N3[C@H]1COc2cc(F)c(Br)cc21
|
CC(=O)NCC1(c2ccccc2)CCN(C(=O)c2c(F)ccc3c2OCO3)CC1
|
CC=O)NCCcccccc6))))))CCNC=O)ccF)cccc6OCO5))))))))))CC6
|
[C][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][O][C][O][Ring1][Branch1][C][C][Ring2][Ring1][Branch2]
|
c17c(F)ccc2c1OCO2.C189CCN5CC1.c19ccccc1.CC4=O.C57=O.N46.C68
|
O=C1NC[C@H]2CCCN(C(=O)c3cnn(-c4ccccc4Br)c3)[C@@H]12
|
O=CNC[C@H]CCCNC=O)ccnn-cccccc6Br)))))))c5))))))[C@@H]96
|
[O][=C][N][C][C@H1][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=Ring1][N][C@@H1][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2]
|
O=C1NC[C@H]2CCCN5[C@@H]12.c17ccccc1Br.c16cnn7c1.C56=O
|
C[C@H]1CCC(Cl)=C(C(=O)NCC[C@H]2CCCN2C(=O)CC[C@@H]2CCCO2)C1
|
C[C@H]CCCCl)=CC=O)NCC[C@H]CCCN5C=O)CC[C@@H]CCCO5)))))))))))))))))C6
|
[C][C@H1][C][C][C][Branch1][C][Cl][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C@@H1][C][C][C][O][Ring1][Branch1][C][Ring2][Ring1][#Branch2]
|
C[C@H]1CCC(Cl)=C(C3=O)C1.[C@H]16CCCN14.C4(=O)CC7.[C@@H]17CCCO1.C5C6.N35
|
O=C(N[C@H](CO)C1CCN(C(=O)CC(F)(F)F)CC1)[C@H]1[C@@H]2COC[C@@H]21
|
O=CN[C@H]CO))CCCNC=O)CCF)F)F))))CC6))))))))[C@H][C@@H]COC[C@@H]56
|
[O][=C][Branch2][Ring1][=C][N][C@H1][Branch1][Ring1][C][O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][=N][C@H1][C@@H1][C][O][C][C@@H1][Ring1][Branch1][Ring1][=Branch1]
|
C17CCN4CC1.C4(=O)CC(F)(F)F.[C@@H]16[C@H]2COC[C@@H]12.[C@H]57CO.O=C36.N35
|
Cc1cc(C(=O)NCC2CC3(C2)CC(NC(=O)C2(COC(C)C)CC2)C3)cnn1
|
CcccC=O)NCCCCC4)CCNC=O)CCOCC)C))))CC3)))))C4)))))))))cnn6
|
[C][C][=C][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][O][C][Branch1][C][C][C][C][C][Ring1][Branch2][C][Ring1][S][=C][N][=N][Ring2][Ring1][N]
|
C1%13CC2(CC%10C2)C1.Cc1cc%12cnn1.C1%115CC1.C4%12=O.C6%11=O.C8(C)C.N49.C9%13.N6%10.C75.O78
|
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