SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
CCC(CC)[C@H](C)C(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)N(C)[C@@H](C)CC(F)(F)F
|
CCCCC))[C@H]C)C=O)NC[C@@H]C[C@@H]3[C@H]6C=O)NC)[C@@H]C)CCF)F)F
|
[C][C][C][Branch1][Ring1][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C@@H1][Ring1][Ring1][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F]
|
CCC(CC)[C@H](C)C3=O.N13C[C@@H]2C[C@@H]2[C@H]16.[C@H]5(C)CC(F)(F)F.C46=O.N45C
|
O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1
|
O=CNCcccccc6[N+]=O)[O-]))))))))))[C@@H]CCCNC=O)cccCl)ccc6Cl))))))))C6
|
[O][=C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C@@H1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][Ring1][S]
|
c18ccccc1[N+](=O)[O-].c17cc(Cl)ccc1Cl.[C@@H]16CCCN4C1.O=C36.C47=O.N35.C58
|
CCc1onc(C(=O)NCC2(O)CN(C(=O)CN(C)c3ccc(Cl)cc3)C2)c1C
|
CCconcC=O)NCCO)CNC=O)CNC)ccccCl)cc6)))))))))C4)))))))c5C
|
[C][C][C][O][N][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][P][C][=Ring2][Ring1][#Branch2][C]
|
c1%10onc9c1C.c18ccc(Cl)cc1.C1%11(O)CN5C1.C5(=O)C7.C49=O.N78C.CC%10.N46.C6%11
|
C[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@]1(C)CNC(=O)c1cc(N)ccc1F
|
C[C@@H]NSC)=O)=O)))C=O)NCCC[C@]5C)CNC=O)cccN)ccc6F
|
[C][C@@H1][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=Branch1][C][=O][N][C][C][C][C@][Ring1][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][F]
|
c17cc(N)ccc1F.N12CCC[C@@]18C.C[C@@H]4C2=O.S6(C)(=O)=O.C37=O.N46.C58.N35
|
CO[C@@H]1CCN(CCNC(=O)[C@H](C(C)C)[C@H](C)NC(=O)CNC(=O)[C@@H]2C[C@H]2C)C1
|
CO[C@@H]CCNCCNC=O)[C@H]CC)C))[C@H]C)NC=O)CNC=O)[C@@H]C[C@H]3C)))))))))))))))C5
|
[C][O][C@@H1][C][C][N][Branch2][Ring2][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][C][Ring2][Ring1][O]
|
C3(=O)[C@H](C(C)C)[C@@H]9C.[C@@H]16CCN7C1.C4(=O)C%10.[C@@H]1%11C[C@H]1C.C7C8.C5%11=O.CO6.N38.N49.N5%10
|
CCC=CC(=O)N1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@@H]1C
|
CCC=CC=O)NCCNC=O)ccccSC))c[N+]=O)[O-]))c6)))))))C[C@@H]6C
|
[C][C][C][=C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][S][C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O][C][C@@H1][Ring2][Ring1][Ring1][C]
|
c15ccc7c([N+](=O)[O-])c1.N13CCN4C[C@@H]1C.C=6C3=O.CCC=6.C45=O.S7C
|
C[C@H](NC(=O)C1=CC(C)(C)C1)[C@H]1CCCN(C(=O)c2cc(Br)n[nH]2)C1
|
C[C@H]NC=O)C=CCC)C)C4))))))[C@H]CCCNC=O)cccBr)n[nH]5))))))C6
|
[C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch1][C@H1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=N][NH1][Ring1][=Branch1][C][Ring1][=C]
|
C3(=O)C1=CC(C)(C)C1.[C@H]17CCCN4C1.c16cc(Br)n[nH]1.C[C@H]57.C46=O.N35
|
C[C@@]1(C(=O)NCC2(CO)COC2)CCCN(Cc2cc(Cl)c(O)cc2F)C1
|
C[C@@]C=O)NCCCO))COC4)))))))CCCNCcccCl)cO)cc6F))))))))C6
|
[C][C@@][Branch1][P][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][C][O][C][Ring1][=Branch1][C][C][C][N][Branch1][P][C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][=C][Ring1][Branch2][F][C][Ring2][Ring1][#Branch2]
|
c19cc(Cl)c(O)cc1F.C[C@@]16CCCN5C1.C178COC1.C36=O.N34.C47.C8O.C59
|
CCOC(=O)CCn1cc([C@H]2[C@@H]3CN(C(=O)c4cc(OC)ncc4Cl)C[C@@H]32)nn1
|
CCOC=O)CCncc[C@H][C@@H]CNC=O)cccOC))ncc6Cl))))))))C[C@@H]56))))))nn5
|
[C][C][O][C][=Branch1][C][=O][C][C][N][C][=C][Branch2][Ring1][#C][C@H1][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=N][C][=C][Ring1][Branch2][Cl][C][C@@H1][Ring1][S][Ring1][P][N][=N][Ring2][Ring1][=Branch1]
|
c19cc8ncc1Cl.[C@@H]1%11[C@H]2CN6C[C@@H]12.n1%10cc%11nn1.C5(=O)CC%10.C69=O.CC7.O57.O8C
|
Cn1cc(CC(=O)NCCCC(=O)NC[C@H]2COCC2(C)C)cn1
|
CnccCC=O)NCCCC=O)NC[C@H]COCC5C)C)))))))))))))))cn5
|
[C][N][C][=C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][N][C][C@H1][C][O][C][C][Ring1][Branch1][Branch1][C][C][C][C][=N][Ring2][Ring1][#Branch1]
|
[C@H]17COCC1(C)C.Cn1cc8cn1.C5CCC4=O.C8C3=O.N35.N46.C67
|
Cc1cccnc1C(F)(F)C(=O)N1CC[C@H](NC(=O)c2cc(Cl)cnc2C)C1
|
Cccccnc6CF)F)C=O)NCC[C@H]NC=O)cccCl)cnc6C)))))))))C5
|
[C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][C][C][Ring1][S]
|
c16cc(Cl)cnc1C.Cc1cccnc17.C7(F)(F)C3=O.N13CC[C@H]5C1.C46=O.N45
|
C[C@H]1OCC[C@]1(F)C(=O)N1CC(C2CCN(C(=O)CC3(N(C)C)COC3)CC2)C1
|
C[C@H]OCC[C@]5F)C=O)NCCCCCNC=O)CCNC)C))COC4))))))CC6))))))C4
|
[C][C@H1][O][C][C][C@][Ring1][Branch1][Branch1][C][F][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][O][C][Ring1][#Branch1][C][C][Ring1][S][C][Ring2][Ring1][Ring2]
|
N14CC(C2CCN5CC2)C1.C[C@H]1OCC[C@@]17F.C168COC1.C5(=O)C8.C47=O.N6(C)C
|
CC[C@@H](C(=O)NCCC1(O)CCN(C(=O)[C@H](C)CSC)CC1)C(C)(F)F
|
CC[C@@H]C=O)NCCCO)CCNC=O)[C@H]C)CSC)))))CC6))))))))))CC)F)F
|
[C][C][C@@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C][N][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][S][C][C][C][Ring1][=C][C][Branch1][C][C][Branch1][C][F][F]
|
CC[C@@H](C2=O)C(C)(F)F.C16(O)CCN3CC1.C3(=O)[C@H](C)C5.C4C6.N24.S5C
|
C[C@](F)(CC1CCCC1)C(=O)NC[C@H]1CCN(C(=O)c2cc(N)c(Cl)cn2)C1
|
C[C@]F)CCCCCC5))))))C=O)NC[C@H]CCNC=O)cccN)cCl)cn6)))))))C5
|
[C][C@][Branch1][C][F][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][=N][Ring1][Branch2][C][Ring1][#C]
|
c16cc(N)c(Cl)cn1.C[C@](F)(C7)C3=O.[C@H]18CCN4C1.C17CCCC1.C46=O.N35.C58
|
CCCN(CC(=O)N[C@H](C)C[S@@+](C)[O-])C(=O)C[C@H]1CC(C)=NO1
|
CCCNCC=O)N[C@H]C)C[S@@+]C)[O-])))))))C=O)C[C@H]CCC)=NO5
|
[C][C][C][N][Branch1][P][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][S@@+1][Branch1][C][C][O-1][C][=Branch1][C][=O][C][C@H1][C][C][Branch1][C][C][=N][O][Ring1][=Branch1]
|
[C@@H]6(C)C[S@@+](C)[O-].[C@H]17CC(C)=NO1.C5C2=O.C3(=O)C7.CCC4.N345.N26
|
O=C(CCc1nc(-c2ccccn2)no1)NC[C@H]1CCN1C(=O)C1(CF)CCC1
|
O=CCCcnc-cccccn6))))))no5)))))))NC[C@H]CCN4C=O)CCF))CCC4
|
[O][=C][Branch2][Ring1][Ring2][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][N][C][C@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][Ring1][C][F][C][C][C][Ring1][=Branch1]
|
c18nc%10no1.c1%10ccccn1.O=C3CC8.[C@H]17CCN14.C169CCC1.C46=O.N35.C57.C9F
|
CO[C@H](C)CC(=O)N[C@@](C)(CNC(=O)c1sc(C)cc1Br)CC(C)C
|
CO[C@H]C)CC=O)N[C@@]C)CNC=O)cscC)cc5Br)))))))))CCC)C
|
[C][O][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@][Branch1][C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][S][C][Branch1][C][C][=C][C][=Ring1][=Branch1][Br][C][C][Branch1][C][C][C]
|
[C@@]5(C)(C6)CC(C)C.c17sc(C)cc1Br.[C@@H]4(C)CC2=O.C37=O.CO4.N25.N36
|
CCn1cnc2c(N3CC[C@H](NC(=O)Cc4cc(C5CC5)on4)C3)nc(Cl)nc21
|
CCncnccNCC[C@H]NC=O)CcccCCC3)))on5))))))))C5)))))ncCl)nc69
|
[C][C][N][C][=N][C][=C][Branch2][Ring1][#C][N][C][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][N][=Ring1][Branch2][C][Ring1][P][N][=C][Branch1][C][Cl][N][=C][Ring2][Ring1][Branch2][Ring2][Ring1][O]
|
n19cnc2c7nc(Cl)nc21.N17CC[C@H]8C1.c1%10cc%11on1.C6(=O)C%10.C1%11CC1.CC9.N68
|
CC1(C(=O)N2CCC3(CC2)C[C@@H]3NC(=O)c2c[nH]c(C(F)(F)F)c2)CC(F)C1
|
CCC=O)NCCCCC6))C[C@@H]3NC=O)cc[nH]cCF)F)F))c5))))))))))))))CCF)C4
|
[C][C][Branch2][Ring2][=Branch2][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][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=Branch2][C][C][Branch1][C][F][C][Ring2][Ring1][O]
|
N14CCC2(CC1)C[C@@H]26.CC17CC(F)C1.c18c[nH]c9c1.C9(F)(F)F.C47=O.C58=O.N56
|
CCN1C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)CNC(=O)CN2CCCC2)C1
|
CCNC[C@@H]C)[C@H]NC=O)C#CCC)C)CNC=O)CNCCCC5))))))))))))))C5
|
[C][C][N][C][C@@H1][Branch1][C][C][C@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][#C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][Branch2]
|
C3(=O)C#CC(C)(C)C6.N15C[C@@H]8[C@H](C)C1.N17CCCC1.C4(=O)C7.CC5.N38.N46
|
CC[C@H](SC)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C2CN(C(C)=O)C2)C1
|
CC[C@H]SC))C=O)NC[C@@H]CCC[C@]5NC=O)CCNCC)=O))C4))))))C8
|
[C][C][C@H1][Branch1][Ring1][S][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C@][Ring1][Branch1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring1][#Branch1][C][Ring2][Ring1][C]
|
N13C[C@@H]2CCC[C@]27C1.CC[C@H]6C3=O.C18CN5C1.C48=O.C5(C)=O.S6C.N47
|
O=C(Nc1ccccc1)[C@H](C1=NOCC1)N1CCOC[C@H]1C[C@H]1CCCO1
|
O=CNcccccc6)))))))[C@H]C=NOCC5)))))NCCOC[C@H]6C[C@H]CCCO5
|
[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][Branch2][C][=N][O][C][C][Ring1][Branch1][N][C][C][O][C][C@H1][Ring1][=Branch1][C][C@H1][C][C][C][O][Ring1][Branch1]
|
O=C2[C@@H]3C1=NOCC1.N13CCOC[C@H]15.c14ccccc1.[C@H]16CCCO1.N24.C56
|
C[C@H](NC(=O)Nc1ccc(-c2cc[nH]n2)cc1)C(F)(F)F
|
C[C@H]NC=O)Ncccc-ccc[nH]n5)))))cc6)))))))))CF)F)F
|
[C][C@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][C][=C][Ring1][O][C][Branch1][C][F][Branch1][C][F][F]
|
c16ccc7cc1.C[C@H]5C(F)(F)F.c17cc[nH]n1.C34=O.N35.N46
|
NC(=O)CCCNc1nc2ccccc2nc1N[C@H]1CCC[C@H](F)C1
|
NC=O)CCCNcncccccc6nc%10N[C@H]CCC[C@H]F)C6
|
[N][C][=Branch1][C][=O][C][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C@H1][C][C][C][C@H1][Branch1][C][F][C][Ring1][#Branch1]
|
c14nc2ccccc2nc15.[C@H]16CCC[C@H](F)C1.NC(=O)CCC3.N34.N56
|
Cc1nc2n(n1)C[C@@H](C(=O)N(C)CC[C@@H](C)NC(=O)c1csc(C(F)F)n1)CC2
|
Ccncnn5)C[C@@H]C=O)NC)CC[C@@H]C)NC=O)ccscCF)F))n5))))))))))))CC6
|
[C][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C@@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][Ring1][Branch2][C][C][Ring2][Ring1][#Branch2]
|
Cc1nc2n(n1)C[C@@H]8CC2.c17csc9n1.C5C[C@H]6C.C38=O.N35C.C47=O.C9(F)F.N46
|
COc1cc(C(=O)NC23CC(NC(=O)[C@H]4CCCN4C=O)(C2)C3)ncn1
|
COcccC=O)NCCCNC=O)[C@H]CCCN5C=O)))))))))C4)C4))))))ncn6
|
[C][O][C][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=O][Branch1][Ring2][C][Ring1][=C][C][Ring1][#C][=N][C][=N][Ring2][Ring1][Branch2]
|
c17cc%11ncn1.[C@H]1%10CCCN1C=O.C128CC9(C1)C2.C5%11=O.C6%10=O.CO7.N58.N69
|
CC(=O)N1CCCC[C@@H]1CC(=O)N[C@H]1CC[C@H]1NC(=O)COc1cccc(O)c1
|
CC=O)NCCCC[C@@H]6CC=O)N[C@H]CC[C@H]4NC=O)COcccccO)c6
|
[C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]
|
N12CCCC[C@@H]19.c16cccc(O)c1.[C@H]17CC[C@H]18.C9C3=O.C4(=O)C5.CC2=O.N37.N48.O56
|
CCc1cc(=NC[C@@H](O)CNC(=O)[C@@H]2CCn3ncnc3C2)[nH]cn1
|
CCccc=NC[C@@H]O)CNC=O)[C@@H]CCnncnc5C9)))))))))))))))[nH]cn6
|
[C][C][C][=C][C][=Branch2][Ring1][#Branch2][=N][C][C@@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C@@H1][C][C][N][N][=C][N][=C][Ring1][Branch1][C][Ring1][=Branch2][NH1][C][=N][Ring2][Ring1][#Branch1]
|
c17cc(=NC[C@@H](O)C5)[nH]cn1.[C@@H]16CCn2ncnc2C1.C46=O.CC7.N45
|
COCCC[C@H](C)C(=O)N1CCC(C)(C)C[C@H]1C(=O)NC1(CSC)CC1
|
COCCC[C@H]C)C=O)NCCCC)C)C[C@H]6C=O)NCCSC)))CC3
|
[C][O][C][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][Ring2][C][S][C][C][C][Ring1][=Branch1]
|
N12CCC(C)(C)C[C@H]17.C4CC[C@H](C)C2=O.C158CC1.C37=O.CO4.N35.C68.S6C
|
CSCC[C@H](O)C(=O)N[C@H](C)CCCCNC(=O)c1cc(F)ccc1C(F)F
|
CSCC[C@H]O)C=O)N[C@H]C)CCCCNC=O)cccF)ccc6CF)F
|
[C][S][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][Branch1][C][F][F]
|
c17cc(F)ccc18.C6C[C@H](O)C2=O.[C@@H]4(C)CCCC5.C37=O.C8(F)F.CS6.N24.N35
|
CCCOCCCC(=O)N1CC[C@@](CO)(NC(=O)C=CCOc2ccccc2)C1
|
CCCOCCCC=O)NCC[C@@]CO))NC=O)C=CCOcccccc6))))))))))))C5
|
[C][C][C][O][C][C][C][C][=Branch1][C][=O][N][C][C][C@@][Branch1][Ring1][C][O][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2]
|
N13CC[C@]9%11C1.C6CCC3=O.c18ccccc1.C4(=O)C=%10.CCC5.C=%10C7.O56.C%11O.N49.O78
|
CCCC(=O)N1CCC[C@@H](C(=O)N2CCC(OCCNC(=O)CO)CC2)C1
|
CCCC=O)NCCC[C@@H]C=O)NCCCOCCNC=O)CO)))))))CC6)))))))C6
|
[C][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][O][O][C][C][N][C][=Branch1][C][=O][C][O][C][C][Ring1][=C][C][Ring2][Ring1][=Branch1]
|
N13CCC[C@@H]9C1.N14CCC7CC1.CCCC3=O.C5(=O)CO.C49=O.C6C8.O67.N58
|
C[C@H](C(=O)NCC=CCNc1ncnc2sc(C(F)(F)F)nc12)N(C)C
|
C[C@H]C=O)NCC=CCNcncncscCF)F)F))nc95))))))))))))))))NC)C
|
[C][C@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][=C][C][N][C][=N][C][=N][C][S][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=N][=Ring1][=Branch2][N][Branch1][C][C][C]
|
c17ncnc2sc9nc12.C[C@@H]4C3=O.C9(F)(F)F.C5C=8.C=8C6.N4(C)C.N35.N67
|
CS[C@H]1C[C@H](C(=O)N[C@@H]2CCC[C@@H](NC(=O)c3cnn(C)c3C(F)F)C2)C1
|
CS[C@H]C[C@H]C=O)N[C@@H]CCC[C@@H]NC=O)ccnnC)c5CF)F)))))))))C6))))))))C4
|
[C][S][C@H1][C][C@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][C][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Branch1][C][F][F][C][Ring2][Ring1][C][C][Ring2][Ring1][=Branch2]
|
[C@@H]16CCC[C@@H]7C1.c19cnn(C)c1%10.[C@H]1%11C[C@H]8C1.C48=O.C59=O.C%10(F)F.CS%11.N46.N57
|
CCC1(CC(=O)N[C@@]23CCN(C(=O)CCc4ccc[nH]4)C[C@H]2C3)CCOCC1
|
CCCCC=O)N[C@@]CCNC=O)CCcccc[nH]5))))))))C[C@H]6C7))))))))))CCOCC6
|
[C][C][C][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][C@@][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][=C][C][=C][NH1][Ring1][Branch1][C][C@H1][Ring1][#C][C][Ring1][S][C][C][O][C][C][Ring2][Ring1][#Branch2]
|
[C@@]127CCN6C[C@H]1C2.C19%10CCOCC1.C6(=O)CC8.c18ccc[nH]1.C%10C5=O.CC9.N57
|
CCCCSCC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3c(C)cc(C)oc3=O)C[C@H]21
|
CCCCSCC=O)N[C@@H]CCC[C@@H]CNC=O)ccC)ccC)oc6=O))))))))C[C@H]59
|
[C][C][C][C][S][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C@@H1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][O][C][Ring1][Branch2][=O][C][C@H1][Ring1][S][Ring2][Ring1][Ring2]
|
[C@@H]18CCC[C@@H]2CN5C[C@H]21.c19c(C)cc(C)oc1=O.CCCC6.C7C4=O.C59=O.S67.N48
|
CC(C)[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1cccc[n+]1[O-])N(C)C
|
CCC)[C@H]C=O)NCC[C@@H]4CNC=O)ccccc[n+]6[O-])))))))))))))))NC)C
|
[C][C][Branch1][C][C][C@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C@@H1][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N+1][Ring1][=Branch1][O-1][N][Branch1][C][C][C]
|
CC(C)[C@@H]4C2=O.c16cccc[n+]1[O-].N12CC[C@@H]17.C36=O.N4(C)C.C57.N35
|
CC(C)C1(C(=O)N2C[C@@]3(CCNC(=O)C[C@@H]4CCCO4)CC[C@H]2C3)CC1
|
CCC)CC=O)NC[C@@]CCNC=O)C[C@@H]CCCO5))))))))))CC[C@H]6C5))))))))CC3
|
[C][C][Branch1][C][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@@][Branch1][S][C][C][N][C][=Branch1][C][=O][C][C@@H1][C][C][C][O][Ring1][Branch1][C][C][C@H1][Ring1][P][C][Ring1][S][C][C][Ring2][Ring1][#Branch1]
|
N15C[C@@]2%11CC[C@H]1C2.[C@@H]19CCCO1.C18%10CC1.C6(=O)C9.CC%10C.C58=O.C%11C7.N67
|
C#Cc1ccccc1CC(=O)NNc1cccc(C(=O)O)c1C
|
C#Ccccccc6CC=O)NNcccccC=O)O))c6C
|
[C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C]
|
C3C(=O)NNc1cccc2c1C.C#Cc1ccccc13.C2(=O)O
|
C#CCOC1CCN(C(=O)[C@@H]2C[C@@H](NC(=O)CN3CCCCC3)C2(C)C)CC1
|
C#CCOCCCNC=O)[C@@H]C[C@@H]NC=O)CNCCCCC6)))))))))C4C)C))))))CC6
|
[C][#C][C][O][C][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=C][Branch1][C][C][C][C][C][Ring2][Ring1][Branch2]
|
C17CCN4CC1.[C@@H]1%10C[C@@H]9C1(C)C.N18CCCCC1.C5(=O)C8.C#CC6.C4%10=O.O67.N59
|
Cc1cc(C(=O)NC[C@@H]2CN(C(=O)C3C[C@H]4C[C@@H]4C3)C[C@H]2C)ccc1S(N)(=O)=O
|
CcccC=O)NC[C@@H]CNC=O)CC[C@H]C[C@@H]3C6)))))))C[C@H]5C)))))))))ccc6SN)=O)=O
|
[C][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C@H1][C][C@@H1][Ring1][Ring1][C][Ring1][=Branch1][C][C@H1][Ring1][=N][C][=C][C][=C][Ring2][Ring1][Branch2][S][Branch1][C][N][=Branch1][C][=O][=O]
|
Cc1cc9ccc1S(N)(=O)=O.[C@@H]1%10CN6C[C@H]1C.C18C[C@H]2C[C@@H]2C1.C59=O.C68=O.N57.C7%10
|
C#CC1(C(=O)N2CC[C@@H](NC(=O)c3ccn4c3CCCC4)[C@@H](CC)C2)CC1
|
C#CCC=O)NCC[C@@H]NC=O)cccnc5CCCC6)))))))))))[C@@H]CC))C6)))))))CC3
|
[C][#C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][N][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C@@H1][Branch1][Ring1][C][C][C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][=Branch2]
|
c19ccn2c1CCCC2.N15CC[C@@H]7[C@@H]%10C1.C#CC18CC1.C58=O.C69=O.N67.C%10C
|
CCCN(CCCNC(=O)c1cc(C)ccc1F)C(=O)CCCCOCC
|
CCCNCCCNC=O)cccC)ccc6F))))))))))))C=O)CCCCOCC
|
[C][C][C][N][Branch2][Ring1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][C][C][C][C][O][C][C]
|
c19cc(C)ccc1F.C3(=O)CCCC4.C7CC8.CCC6.N367.C29=O.N28.O45.C5C
|
C[C@@H]1SCC[C@@]1(NCCCCO)c1nnnn1CCN1CCOCC1
|
C[C@@H]SCC[C@@]5NCCCCO))))))cnnnn5CCNCCOCC6
|
[C][C@@H1][S][C][C][C@@][Ring1][Branch1][Branch1][#Branch1][N][C][C][C][C][O][C][=N][N][=N][N][Ring1][Branch1][C][C][N][C][C][O][C][C][Ring1][=Branch1]
|
C[C@@H]1SCC[C@@]126.c16nnnn15.N14CCOCC1.C3CCCO.C5C4.N23
|
N=c1ncc(-c2cnc3c(C(=O)NC[C@@H](F)CO)cccn23)c[nH]1
|
N=cncc-ccnccC=O)NC[C@@H]F)CO))))))cccn96)))))))))c[nH]6
|
[N][=C][N][=C][C][Branch2][Ring1][N][C][=C][N][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][F][C][O][=C][C][=C][N][Ring1][P][Ring1][=C][=C][NH1][Ring2][Ring1][#Branch1]
|
c17cnc2c6cccn12.N=c1ncc7c[nH]1.C5[C@@H](F)CO.C46=O.N45
|
CN(C)CC[C@@H](NC(=O)C[C@H]1C=CCCC1)C(=O)NCC1(CO)CCCC1
|
CNC)CC[C@@H]NC=O)C[C@H]C=CCCC6)))))))))C=O)NCCCO))CCCC5
|
[C][N][Branch1][C][C][C][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C@H1][C][=C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][C][C][C][C][Ring1][#Branch1]
|
C4C[C@@H]5C3=O.[C@H]17C=CCCC1.C189CCCC1.C2(=O)C7.CN4C.N25.N36.C68.C9O
|
CC[C@H]1CN(C(=O)CC[C@H]2CC2(F)F)CCN1C(=O)C=Cc1ccc([N+](=O)[O-])s1
|
CC[C@H]CNC=O)CC[C@H]CC3F)F)))))))CCN6C=O)C=Ccccc[N+]=O)[O-]))s5
|
[C][C][C@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C@H1][C][C][Ring1][Ring1][Branch1][C][F][F][C][C][N][Ring1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][S][Ring1][Branch2]
|
C=5c1ccc([N+](=O)[O-])s1.[C@H]16CN3CCN14.C3(=O)CC7.[C@H]17CC1(F)F.C4(=O)C=5.CC6
|
CCc1onc(C)c1C(=O)N1C2CCC1(CNC(=O)C1=CCCC[C@@H]1C)CC2
|
CCconcC)c5C=O)NCCCC5CNC=O)C=CCCC[C@@H]6C))))))))))CC6
|
[C][C][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][Branch1][S][C][N][C][=Branch1][C][=O][C][=C][C][C][C][C@@H1][Ring1][=Branch1][C][C][C][Ring1][P]
|
C4(=O)C1=CCCC[C@@H]1C.N13C2CCC17CC2.c18onc(C)c16.C36=O.CC8.C57.N45
|
Cn1cc([C@@H](NC(=O)c2cccc(O)c2F)C(=O)NC2C3CCC2CC3)nn1
|
Cncc[C@@H]NC=O)cccccO)c6F)))))))))C=O)NCCCCC5CC6))))))))))nn5
|
[C][N][C][=C][Branch2][Ring2][=Branch1][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=Branch1][N][=N][Ring2][Ring1][O]
|
c18cccc(O)c1F.C17C2CCC1CC2.Cn1cc9nn1.[C@@H]69C5=O.C48=O.N46.N57
|
CN(C(=O)NCc1c(F)c(F)c(Br)c(F)c1F)c1cccc(Cl)n1
|
CNC=O)NCccF)cF)cBr)cF)c6F))))))))))cccccCl)n6
|
[C][N][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][Br][C][Branch1][C][F][=C][Ring1][#Branch2][F][C][=C][C][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1]
|
c16c(F)c(F)c(Br)c(F)c1F.c15cccc(Cl)n1.CN25.C23=O.N34.C46
|
CC(C)n1nccc1C(=O)N[C@H]1C[C@H](NC(=O)c2cccc3c2SCCC3)C1
|
CCC)nnccc5C=O)N[C@H]C[C@H]NC=O)cccccc6SCCC6))))))))))))C4
|
[C][C][Branch1][C][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][C][Ring1][=Branch1][C][Ring1][P]
|
c19cccc2c1SCCC2.n1%10nccc18.[C@H]16C[C@H]7C1.CC%10C.C48=O.C59=O.N46.N57
|
CCS[C@@H](C)C(=O)N1CC2(CCN2C(=O)c2cc[nH]c2C2CC2)C1
|
CCS[C@@H]C)C=O)NCCCCN4C=O)ccc[nH]c5CCC3))))))))))))C4
|
[C][C][S][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][C][=C][NH1][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][C][Ring1][P]
|
N13CC2(CCN24)C1.c17cc[nH]c18.[C@H]6(C)C3=O.C47=O.C18CC1.CC5.S56
|
C[C@H](C(=O)N[C@@H](C)CNC(=O)C1(O)CCCCCC1)[C@@H]1CCCO1
|
C[C@H]C=O)N[C@@H]C)CNC=O)CO)CCCCCC7)))))))))))))[C@@H]CCCO5
|
[C][C@H1][Branch2][Ring1][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][C][C][C][C][C][Ring1][Branch2][C@@H1][C][C][C][O][Ring1][Branch1]
|
C16(O)CCCCCC1.C[C@@H]7C2=O.[C@@H]17CCCO1.[C@H]4(C)C5.C36=O.N24.N35
|
O=C(NC[C@H](NC(=O)[C@H]1C[C@H](n2ccnn2)C1)C1CC1)[C@@H]1CCn2nccc2C1
|
O=CNC[C@H]NC=O)[C@H]C[C@H]nccnn5)))))C4))))))CCC3))))))[C@@H]CCnnccc5C9
|
[O][=C][Branch2][Ring1][S][N][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][C][C@H1][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][Ring1][=Branch2][C][C][C][Ring1][Ring1][C@@H1][C][C][N][N][=C][C][=C][Ring1][Branch1][C][Ring1][=Branch2]
|
[C@@H]17CCn2nccc2C1.[C@H]18C[C@H]%10C1.n1%10ccnn1.C5[C@H]69.O=C37.C48=O.C19CC1.N35.N46
|
C[C@H](CN(C)C(=O)[C@@H]1C[C@]1(F)Cl)C(=O)N(C)C[C@@H]1CCCCO1
|
C[C@H]CNC)C=O)[C@@H]C[C@]3F)Cl)))))))C=O)NC)C[C@@H]CCCCO6
|
[C][C@H1][Branch2][Ring1][Ring1][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C@][Ring1][Ring1][Branch1][C][F][Cl][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][C][C][C][C][O][Ring1][=Branch1]
|
C[C@H](C4)C3=O.[C@@H]17CCCCO1.[C@@H]16C[C@]1(F)Cl.N24C.C26=O.N35C.C57
|
CCN1C[C@H](C(=O)NC(CO)(CO)CN(C)C(=O)[C@H]2CC23CCC3)NC1=O
|
CCNC[C@H]C=O)NCCO))CO))CNC)C=O)[C@H]CC3CCC4))))))))))))NC5=O
|
[C][C][N][C][C@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][C][C][Ring1][Ring1][C][C][C][Ring1][Ring2][N][C][Ring2][Ring1][Branch2][=O]
|
N1%10C[C@H]8NC1=O.C6(C7)(CO)CO.[C@H]19CC12CCC2.C48=O.N57C.C59=O.CC%10.N46
|
CC(=O)NC1(CC(=O)NCCN(CC2CC2)C(=O)c2cc(CCO)on2)CC1
|
CC=O)NCCC=O)NCCNCCCC3))))C=O)cccCCO)))on5))))))))))))CC3
|
[C][C][=Branch1][C][=O][N][C][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][Branch1][Ring2][C][C][O][O][N][=Ring1][Branch2][C][C][Ring2][Ring1][Branch2]
|
c1%12cc%13on1.C184CC1.C4C6=O.CC3=O.C9C%10.N7%10%11.C15CC1.C7%12=O.C%13CO.N38.N69.C%115
|
O=C(NCCOC1CN(C(=O)c2cc3n(c2)CCSC3)C1)c1ccc(C2CC2)s1
|
O=CNCCOCCNC=O)cccnc5)CCSC6)))))))))C4))))))))ccccCCC3)))s5
|
[O][=C][Branch2][Ring1][P][N][C][C][O][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][=C][N][Branch1][Ring2][C][=Ring1][Branch1][C][C][S][C][Ring1][#Branch1][C][Ring1][#C][C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2]
|
c1%10cc2n(c1)CCSC2.c19ccc%11s1.C17CN5C1.O=C49.C8C6.C5%10=O.C1%11CC1.N48.O67
|
C=CCCCCC(=O)N[C@H]1COC2(C1)CN(C(=O)CC(C)(C)C#N)C2
|
C=CCCCCC=O)N[C@H]COCC5)CNC=O)CCC)C)C#N)))))C4
|
[C][=C][C][C][C][C][C][=Branch1][C][=O][N][C@H1][C][O][C][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][#N][C][Ring1][=N]
|
[C@H]15COC2(C1)CN4C2.C=CCCCCC3=O.C4(=O)CC(C)(C)C#N.N35
|
CC(C)n1ccc2c(C(=O)NC[C@@H]3CCN3C(=O)c3c[nH]ccc3=O)cccc21
|
CCC)nccccC=O)NC[C@@H]CCN4C=O)cc[nH]ccc6=O)))))))))))))))cccc69
|
[C][C][Branch1][C][C][N][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][Ring1][=Branch1][=O][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2]
|
n19ccc2c7cccc21.c18c[nH]ccc1=O.[C@@H]1%10CCN15.CC9C.C47=O.C58=O.N46.C6%10
|
C=Cn1nccc1C(=O)N(CC)CCCNC(=O)c1cnn(CCN(C)C)c1C
|
C=Cnnccc5C=O)NCC))CCCNC=O)ccnnCCNC)C))))c5C
|
[C][=C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][=Ring1][#Branch2][C]
|
C=Cn1nccc18.c19cnn%10c1C.C5CC6.C28=O.N245.C39=O.C%10C7.N7(C)C.C4C.N36
|
NC(=O)C(=O)N1CCN(C(=O)c2cc(C(F)(F)F)c[nH]2)C[C@@H]1c1cn[nH]c1
|
NC=O)C=O)NCCNC=O)cccCF)F)F))c[nH]5))))))C[C@@H]6ccn[nH]c5
|
[N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][NH1][Ring1][=Branch2][C][C@@H1][Ring1][P][C][C][=N][NH1][C][=Ring1][Branch1]
|
N13CCN4C[C@@H]17.c15cc6c[nH]1.NC(=O)C3=O.c17cn[nH]c1.C6(F)(F)F.C45=O
|
COC(=O)c1cc(CNC(=O)Cn2cc([C@H]3CCCCO3)nn2)ccc1Cl
|
COC=O)cccCNC=O)Cncc[C@H]CCCCO6))))))nn5)))))))))ccc6Cl
|
[C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][=Branch2][C@H1][C][C][C][C][O][Ring1][=Branch1][N][=N][Ring1][O][=C][C][=C][Ring2][Ring1][=Branch1][Cl]
|
c17cc9ccc1Cl.n18cc%10nn1.[C@H]1%10CCCCO1.C5(=O)C8.C47=O.CO4.C69.N56
|
CO[C@H](C(=O)N(C)CCCNC(=O)c1csc(CC(F)F)n1)C1CCCCC1
|
CO[C@H]C=O)NC)CCCNC=O)ccscCCF)F)))n5))))))))))))CCCCCC6
|
[C][O][C@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][#Branch1][C][C][Branch1][C][F][F][=N][Ring1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1]
|
c17csc8n1.C19CCCCC1.[C@H]49C2=O.C5CC6.C8C(F)F.N25C.C37=O.CO4.N36
|
CCCC(C)=CC(=O)N(C)CC1CN(C(=O)[C@]23C[C@H]2COC3(C)C)C1
|
CCCCC)=CC=O)NC)CCCNC=O)[C@]C[C@H]3COC6C)C))))))))C4
|
[C][C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@][C][C@H1][Ring1][Ring1][C][O][C][Ring1][=Branch1][Branch1][C][C][C][C][Ring1][=C]
|
[C@]127C[C@H]1COC2(C)C.CCCC=8C.C19CN5C1.C=8C4=O.N46C.C57=O.C69
|
COCC[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC(F)(F)CN1C(=O)c1cc(=O)n(C)cn1
|
COCC[C@@H]C[C@H]3C=O)NC[C@@H]CCF)F)CN5C=O)ccc=O)nC)cn6
|
[C][O][C][C][C@@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C@@H1][C][C][Branch1][C][F][Branch1][C][F][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][Ring1][Branch2]
|
[C@@H]18CC(F)(F)CN13.c16cc(=O)n(C)cn1.[C@@H]19C[C@H]17.C4C9.C27=O.C36=O.CO4.N25.C58
|
CCC[C@H](NC(=O)[C@H](C)SC(C)C)C(=O)N[C@H]1CCC[C@H]1C(N)=O
|
CCC[C@H]NC=O)[C@H]C)SCC)C))))))C=O)N[C@H]CCC[C@H]5CN)=O
|
[C][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][S][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C@H1][Ring1][Branch1][C][Branch1][C][N][=O]
|
CCC[C@H]4C3=O.[C@H]17CCC[C@H]18.C2(=O)[C@@H]5C.C6(C)C.C8(N)=O.N24.S56.N37
|
Cc1c(C(F)(F)F)n[nH]c1C(=O)NC(C)(C)CCNC(=O)COC1(C)CCC1
|
CccCF)F)F))n[nH]c5C=O)NCC)C)CCNC=O)COCC)CCC4
|
[C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][NH1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][O][C][Branch1][C][C][C][C][C][Ring1][Branch1]
|
Cc1c9n[nH]c18.C6(C)(C)CC7.C15(C)CCC1.C9(F)(F)F.C3(=O)C4.C28=O.N26.N37.O45
|
C#CCSCC(=O)N1CC(CCNC(=O)c2csc(-c3cnn(C)c3)n2)(OC)C1
|
C#CCSCC=O)NCCCCNC=O)ccsc-ccnnC)c5)))))n5)))))))))OC))C4
|
[C][#C][C][S][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=N][Ring1][O][Branch1][Ring1][O][C][C][Ring2][Ring1][=Branch1]
|
N14CC6%11C1.c1%10csc%12n1.c1%12cnn(C)c1.C9C4=O.C#CC8.C%11C7.C5%10=O.S89.N57.O6C
|
C=C[C@H]1C[C@H]1C(=O)NCC1(NC(=O)c2ccc(CC)s2)CCCCCC1
|
C=C[C@H]C[C@H]3C=O)NCCNC=O)ccccCC))s5)))))))CCCCCC7
|
[C][=C][C@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][C][S][Ring1][#Branch1][C][C][C][C][C][C][Ring1][P]
|
C16%10CCCCCC1.c17ccc9s1.C=C[C@H]1C[C@H]18.C38=O.C47=O.N35.C5%10.N46.C9C
|
CC[C@H](CO)CN=C(NCc1ccnn1C)N1CC[C@](C)(OC)[C@](C)(OC)C1
|
CC[C@H]CO))CN=CNCcccnn5C))))))))NCC[C@]C)OC))[C@]C)OC))C6
|
[C][C][C@H1][Branch1][Ring1][C][O][C][N][=C][Branch1][O][N][C][C][=C][C][=N][N][Ring1][Branch1][C][N][C][C][C@][Branch1][C][C][Branch1][Ring1][O][C][C@][Branch1][C][C][Branch1][Ring1][O][C][C][Ring1][N]
|
CC[C@H](CO)CN=C(N4)N1CC[C@@]2(C)[C@@]3(C)C1.c15ccnn1C.C45.O2C.O3C
|
Cc1ncc(CC(=O)N2Cc3ccccc3C[C@H]2CNC(=O)Cc2ccns2)s1
|
CcnccCC=O)NCcccccc6C[C@H]%10CNC=O)Ccccns5)))))))))))))))))))))s5
|
[C][C][=N][C][=C][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][C][=C][C][=N][S][Ring1][Branch1][S][Ring2][Ring1][N]
|
N14Cc2ccccc2C[C@H]17.Cc1ncc8s1.c19ccns1.C8C4=O.C5(=O)C9.C67.N56
|
CCc1cn2c(C(=O)N3CCN(C(=O)[C@@H]4C(F)(F)C45CC5)[C@@H](C)C3)cccc2n1
|
CCccncC=O)NCCNC=O)[C@@H]CF)F)C3CC3))))))[C@@H]C)C6)))))))cccc6n9
|
[C][C][C][=C][N][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C@@H1][C][Branch1][C][F][Branch1][C][F][C][Ring1][Branch1][C][C][Ring1][Ring1][C@@H1][Branch1][C][C][C][Ring1][S][=C][C][=C][C][Ring2][Ring1][Branch2][=N][Ring2][Ring1][O]
|
c1%10cn2c8cccc2n1.N16CCN7[C@@H](C)C1.[C@@H]19C(F)(F)C12CC2.C68=O.C79=O.CC%10
|
CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cnccn2)n1C[C@@H](C)SC
|
CC[C@@H]C[C@H]C)CN5cnnc-ccnccn6))))))n5C[C@@H]C)SC
|
[C][C][C@@H1][C][C@H1][Branch1][C][C][C][N][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C][C@@H1][Branch1][C][C][S][C]
|
[C@@H]16C[C@H](C)CN14.c14nnc7n15.c17cnccn1.C5[C@H]3C.CC6.S3C
|
COCCCC1CCN(C(=O)[C@@H](C)n2cc(CC[C@H]3CCCO3)nn2)CC1
|
COCCCCCCNC=O)[C@@H]C)nccCC[C@H]CCCO5)))))))nn5)))))))CC6
|
[C][O][C][C][C][C][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][=C][Branch1][#Branch2][C][C][C@H1][C][C][C][O][Ring1][Branch1][N][=N][Ring1][N][C][C][Ring2][Ring1][=Branch1]
|
C19CCN4CC1.n16cc8nn1.C4(=O)[C@H]6C.[C@H]17CCCO1.C5CC9.C8C7.CO5
|
C[C@H](NC(=O)c1cnccc1Oc1ccccc1)C1CN(C(=O)C2(CO)CC2)C1
|
C[C@H]NC=O)ccnccc6Occcccc6)))))))))))))))CCNC=O)CCO))CC3))))C4
|
[C][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][C][C][Ring1][Branch1][C][Ring1][O]
|
c19cnccc15.c16ccccc1.C1%10CN4C1.C18%11CC1.C[C@H]7%10.C39=O.C48=O.N37.O56.C%11O
|
CCCN(C)CCC(=O)N(CCNC(=O)CCCN(C)C)C(C)C
|
CCCNC)CCC=O)NCCNC=O)CCCNC)C)))))))))CC)C
|
[C][C][C][N][Branch1][C][C][C][C][C][=Branch1][C][=O][N][Branch1][S][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][C][C][C][C][Branch1][C][C][C]
|
C2(=O)CCC7.C4CC1=O.CCC3.N34C.N158.C5C6.N7(C)C.C8(C)C.N26
|
Cn1cc(C(=O)NC[C@@]23CC[C@@H](CN(C(=O)COCC(F)F)C2)C3)cc1Br
|
CnccC=O)NC[C@@]CC[C@@H]CNC=O)COCCF)F))))))C7)))C5))))))))cc5Br
|
[C][N][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@@][C][C][C@@H1][Branch2][Ring1][Ring2][C][N][Branch1][=N][C][=Branch1][C][=O][C][O][C][C][Branch1][C][F][F][C][Ring1][#C][C][Ring1][S][C][=C][Ring2][Ring1][=Branch2][Br]
|
[C@@]12%10CC[C@@H](CN5C1)C2.Cn1cc9cc1Br.C5(=O)C6.C7C(F)F.C49=O.N48.C8%10.O67
|
CC1(C)[C@H](CNC(=O)C[C@@H]2CCCOCC2)[C@@H]1C(=O)NCC1=NO[C@@H]2CCC[C@H]12
|
CCC)[C@H]CNC=O)C[C@@H]CCCOCC7)))))))))))[C@@H]3C=O)NCC=NO[C@@H]CCC[C@H]85
|
[C][C][Branch1][C][C][C@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][C@@H1][C][C][C][O][C][C][Ring1][#Branch1][C@@H1][Ring1][S][C][=Branch1][C][=O][N][C][C][=N][O][C@@H1][C][C][C][C@H1][Ring1][Branch2][Ring1][Branch1]
|
C6C1=NO[C@@H]2CCC[C@H]12.[C@@H]19CCCOCC1.CC1(C)[C@H]8[C@@H]17.C3(=O)C9.C47=O.C58.N35.N46
|
CCC(=O)N1CCC([C@@H](O)C2CCN(C(=O)c3cnoc3C)CC2)CC1
|
CCC=O)NCCC[C@@H]O)CCCNC=O)ccnoc5C)))))))CC6)))))))CC6
|
[C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][O][C@@H1][Branch1][C][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1][C][C][C][Ring1][=C][C][C][Ring2][Ring1][=Branch1]
|
N14CCC7CC1.C18CCN5CC1.c16cnoc1C.CCC4=O.[C@@H]78O.C56=O
|
CN1CCC[C@H]1C(=O)N1CCC[C@H]1CCNC(=O)Cc1nc2c([nH]1)CCCC2
|
CNCCC[C@H]5C=O)NCCC[C@H]5CCNC=O)Ccncc[nH]5)CCCC6
|
[C][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][C][C][C][Ring1][#Branch1]
|
c18nc2c([nH]1)CCCC2.CN1CCC[C@H]16.N13CCC[C@H]17.C4(=O)C8.C36=O.C7C5.N45
|
O=C(c1csc2c(O)ccnc12)N1CCC[C@]12CCCSC2
|
O=CccsccO)ccnc96)))))))))NCCC[C@]5CCCSC6
|
[O][=C][Branch1][P][C][=C][S][C][=C][Branch1][C][O][C][=C][N][=C][Ring1][#Branch2][Ring1][#Branch1][N][C][C][C][C@][Ring1][Branch1][C][C][C][S][C][Ring1][=Branch1]
|
c14csc2c(O)ccnc12.N13CCC[C@]12CCCSC2.O=C34
|
COC(=O)c1cc(C(=O)N[C@H]2C[C@@H](NC(=O)Cc3cc(F)ccc3Cl)C2)n(C)n1
|
COC=O)cccC=O)N[C@H]C[C@@H]NC=O)CcccF)ccc6Cl))))))))))C4))))))nC)n5
|
[C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Cl][C][Ring1][S][N][Branch1][C][C][N][=Ring2][Ring1][=Branch2]
|
c1%11cc(F)ccc1Cl.c19cc%10n(C)n1.[C@H]17C[C@@H]8C1.C6(=O)C%11.C49=O.C5%10=O.CO4.N57.N68
|
CCOC=CC(=O)N[C@H]1C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1
|
CCOC=CC=O)N[C@H]C[C@@H]3NC=O)[C@@H]C[C@H]3cccc[N+]=O)[O-]))cc6
|
[C][C][O][C][=C][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
|
c18ccc([N+](=O)[O-])cc1.O4C=CC2=O.[C@H]15C[C@@H]16.[C@@H]17C[C@H]18.C37=O.CC4.N25.N36
|
CC(C)c1ccc(C(F)(F)F)c(NC(=O)C[C@]23CCCC[C@@H]2C3(F)F)c1
|
CCC)ccccCF)F)F))cNC=O)C[C@]CCCC[C@@H]6C7F)F)))))))))))c6
|
[C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C@][C][C][C][C][C@@H1][Ring1][=Branch1][C][Ring1][#Branch1][Branch1][C][F][F][=C][Ring2][Ring1][#Branch1]
|
[C@]126CCCC[C@@H]1C2(F)F.c17ccc8c5c1.C8(F)(F)F.C4(=O)C6.CC7C.N45
|
Cc1cncc(C(=O)NC2CC3(C2)C[C@@H]3NC(=O)c2ccn(C(C)C)c(=O)c2)n1
|
CccnccC=O)NCCCC4)C[C@@H]3NC=O)cccnCC)C))c=O)c6)))))))))))))))n6
|
[C][C][=C][N][=C][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C@@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Ring1][#Branch2][=N][Ring2][Ring1][N]
|
c19ccn%10c(=O)c1.Cc1cncc8n1.C16CC2(C1)C[C@@H]27.C48=O.C59=O.C%10(C)C.N46.N57
|
CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC1CC2(CCN(C(=O)C3(C)CC(=O)C3)C2)C1
|
CC=O)NC[C@H]O)C[C@H]5C=O)NCCCCCNC=O)CC)CC=O)C4)))))C5))))C4
|
[C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch2][C][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=Branch1][C][=O][C][Ring1][=Branch1][C][Ring1][=N][C][Ring1][S]
|
C17CC2(CCN6C2)C1.N14C[C@H](O)C[C@H]18.C19(C)CC(=O)C1.CC4=O.C58=O.C69=O.N57
|
O=C1CC(CC(=O)N2CC[C@]3(CCCN(C(=O)c4cnc(O)o4)C3)C2)C1
|
O=CCCCC=O)NCC[C@]CCCNC=O)ccncO)o5))))))C6)))))C5)))))))C4
|
[O][=C][C][C][Branch2][Ring2][Branch2][C][C][=Branch1][C][=O][N][C][C][C@][Branch2][Ring1][Branch2][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][O][O][Ring1][=Branch1][C][Ring1][=C][C][Ring2][Ring1][C][C][Ring2][Ring1][=Branch2]
|
N15CC[C@]2(CCCN6C2)C1.c17cnc(O)o1.O=C1CC8C1.C8C5=O.C67=O
|
CCCCN(CCCC)CCCC(=O)NCCNC(=O)[C@@H]1CCC=CCCC1
|
CCCCNCCCC))))CCCC=O)NCCNC=O)[C@@H]CCC=CCCC8
|
[C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][=C][C][C][C][Ring1][Branch2]
|
[C@@H]19CCC=CCCC1.C6CCC2=O.CCCC4.C5CCC.N456.C7C8.C39=O.N27.N38
|
Nc1ccc(C(=O)N[C@H]2C[C@@](F)(CNC(=O)CCN3CCC(O)CC3)C2)cc1Cl
|
NccccC=O)N[C@H]C[C@@]F)CNC=O)CCNCCCO)CC6)))))))))))C4))))))cc6Cl
|
[N][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C@@][Branch1][C][F][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][O][Cl]
|
Nc1ccc9cc1Cl.N17CCC(O)CC1.[C@H]18C[C@]%10(F)C1.C5(=O)CC7.C49=O.N48.C6%10.N56
|
O=C(COCC(F)(F)F)NC1(CO)CN(C(=O)[C@H](O)CCn2cncn2)C1
|
O=CCOCCF)F)F)))))NCCO))CNC=O)[C@H]O)CCncncn5)))))))))C4
|
[O][=C][Branch1][N][C][O][C][C][Branch1][C][F][Branch1][C][F][F][N][C][Branch1][Ring1][C][O][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][C][N][C][=N][C][=N][Ring1][Branch1][C][Ring1][P]
|
C4(=O)[C@H](O)CC8.C179CN4C1.C6C(F)(F)F.n18cncn1.O=C3C5.O56.N37.C9O
|
CCn1cc(C(=O)C(=O)NC[C@@H]2CCCN2C(=O)CSc2ccccc2F)cn1
|
CCnccC=O)C=O)NC[C@@H]CCCN5C=O)CScccccc6F)))))))))))))))))))cn5
|
[C][C][N][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][Ring2][Ring1][O]
|
c1%10ccccc1F.n18cc7cn1.[C@@H]19CCCN14.C7(=O)C3=O.C4(=O)C6.CC8.N35.C59.S6%10
|
CO[C@H](CCNC(=O)C(C(C)C)C(C)C)CNC(=O)[C@H]1CCN(C)[C@H]1C
|
CO[C@H]CCNC=O)CCC)C))CC)C)))))))CNC=O)[C@H]CCNC)[C@H]5C
|
[C][O][C@H1][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@H1][C][C][N][Branch1][C][C][C@H1][Ring1][=Branch1][C]
|
C2(=O)C(C(C)C)C(C)C.[C@H]17CCN(C)[C@H]1C.[C@H]4(C6)CC5.C37=O.CO4.N25.N36
|
CO[C@@H]1C[C@@]2(C(=O)NC[C@@H]3CCC(C)(C)CN3C(=O)CCCC(F)(F)F)C[C@@H]12
|
CO[C@@H]C[C@@]C=O)NC[C@@H]CCCC)C)CN6C=O)CCCCF)F)F)))))))))))))))C[C@@H]53
|
[C][O][C@@H1][C][C@@][Branch2][Ring2][Ring2][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][C][C][C][Branch1][C][F][Branch1][C][F][F][C][C@@H1][Ring2][Ring1][#Branch2][Ring2][Ring1][Branch2]
|
[C@@H]19CCC(C)(C)CN15.C5(=O)CCCC(F)(F)F.[C@@H]16C[C@@]28C[C@@H]12.C48=O.CO6.N47.C79
|
CO[C@@H]1CCN(C(=NCCC(C)C)NC[C@@H]2CCCOC2)C1
|
CO[C@@H]CCNC=NCCCC)C)))))NC[C@@H]CCCOC6)))))))))C5
|
[C][O][C@@H1][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][=Branch2][=N][C][C][C][Branch1][C][C][C][N][C][C@@H1][C][C][C][O][C][Ring1][=Branch1][C][Ring2][Ring1][Ring2]
|
[C@@H]13CCN(C(=NCCC(C)C)N4)C1.[C@@H]15CCCOC1.CO3.C45
|
COC[C@H](CC(C)C)C(=O)N1[C@H](C(=O)NCCCS(N)(=O)=O)CCC12CC2
|
COC[C@H]CCC)C)))C=O)N[C@H]C=O)NCCCSN)=O)=O)))))))CCC5CC3
|
[C][O][C][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][P][C][=Branch1][C][=O][N][C][C][C][S][Branch1][C][N][=Branch1][C][=O][=O][C][C][C][Ring1][#C][C][C][Ring1][Ring1]
|
C5[C@H](CC(C)C)C3=O.N13[C@H]7CCC12CC2.C6CCS(N)(=O)=O.C47=O.CO5.N46
|
Cn1cc(OCc2cn(C[C@@H]3CCCCN(C(=O)[C@@]45CSC[C@@H]4C5)C3)nn2)cn1
|
CnccOCccnC[C@@H]CCCCNC=O)[C@@]CSC[C@@H]5C6)))))))C7))))))))nn5)))))))cn5
|
[C][N][C][=C][Branch2][Ring2][Branch2][O][C][C][=C][N][Branch2][Ring1][O][C][C@@H1][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@@][C][S][C][C@@H1][Ring1][Branch1][C][Ring1][=Branch1][C][Ring1][#C][N][=N][Ring2][Ring1][Branch1][C][=N][Ring2][Ring1][N]
|
[C@@H]1%12CCCCN6C1.Cn1cc8cn1.c1%11cn%10nn1.[C@@]129CSC[C@@H]1C2.C69=O.O78.C7%11.C%10%12
|
C[C@H]1CN(C(=O)c2cnn(C)c2)C[C@@H](C)N(C(=O)c2cccc(Cl)c2Cl)C1
|
C[C@H]CNC=O)ccnnC)c5))))))C[C@@H]C)NC=O)cccccCl)c6Cl))))))))C7
|
[C][C@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C@@H1][Branch1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][Ring2][Ring1][#Branch2]
|
C[C@H]1CN3C[C@@H](C)N4C1.c16cccc(Cl)c1Cl.c15cnn(C)c1.C35=O.C46=O
|
O=C(N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)C[C@@H]1CCCOC1)C2)c1ccc2c(c1)CC2
|
O=CN[C@@H][C@@H]CC[C@H]5NC=O)C[C@@H]CCCOC6))))))))C6))))))))cccccc6)CC4
|
[O][=C][Branch2][Ring1][N][N][C@@H1][C@@H1][C][C][C@H1][Ring1][Branch1][N][Branch1][=C][C][=Branch1][C][=O][C][C@@H1][C][C][C][O][C][Ring1][=Branch1][C][Ring1][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Ring1][Branch1]
|
[C@@H]15[C@@H]2CC[C@H]1N4C2.c16ccc2c(c1)CC2.[C@@H]17CCCOC1.C4(=O)C7.O=C36.N35
|
CCCS(=O)(=O)CC(=O)N1CC2(C1)CN(C(=O)c1csc(C(N)=O)n1)C[C@H]2CO
|
CCCS=O)=O)CC=O)NCCC4)CNC=O)ccscCN)=O))n5))))))C[C@H]5CO
|
[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][Branch1][Ring2][C][Ring1][Ring2][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][Ring1][Branch2][C][C@H1][Ring1][S][C][O]
|
N13CC2(C1)CN4C[C@H]27.CCCS(=O)(=O)CC3=O.c15csc6n1.C45=O.C6(N)=O.C7O
|
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