SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
---|---|---|---|
COc1cc(F)ccc1NC(=O)CNC(=O)CNC(=O)Cc1cccn1C
|
COcccF)ccc6NC=O)CNC=O)CNC=O)Cccccn5C
|
[C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][Ring1][Branch1][C]
|
c15cc(F)ccc18.c19cccn1C.C2(=O)C6.C3(=O)C7.C4(=O)C9.CO5.N28.N36.N47
|
CN(CCCC(=O)N1C[C@@H](O)[C@@H](O)C1)C(=O)C1(F)CCC1
|
CNCCCC=O)NC[C@@H]O)[C@@H]O)C5)))))))))C=O)CF)CCC4
|
[C][N][Branch2][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][C][F][C][C][C][Ring1][Branch1]
|
N12C[C@@H](O)[C@@H](O)C1.C4CCC2=O.C15(F)CCC1.CN34.C35=O
|
O=C(Nc1ccc2c[nH]nc2c1)[C@@]1(F)CCN(Cc2ccnc(Cl)c2)C1
|
O=CNccccc[nH]nc5c9))))))))))[C@@]F)CCNCcccncCl)c6)))))))C5
|
[O][=C][Branch1][#C][N][C][C][=C][C][=C][NH1][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][C@@][Branch1][C][F][C][C][N][Branch1][=N][C][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring1][=C]
|
c15ccc2c[nH]nc2c1.[C@]16(F)CCN4C1.c17ccnc(Cl)c1.O=C36.N35.C47
|
CCN(CC)C1CN(C(=O)CN(C(=O)C=Cc2ccsc2)C2CCC2)C1
|
CCNCC))CCNC=O)CNC=O)C=Ccccsc5))))))))CCCC4)))))))C4
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][C][=C][S][C][=Ring1][Branch1][C][C][C][C][Ring1][Ring2][C][Ring2][Ring1][Branch1]
|
C=%10c1ccsc1.C18CN3C1.C3(=O)C7.C4(=O)C=%10.C19CCC1.N568.N479.CC5.C6C
|
COC(=O)[C@H]1C[C@H]2C[C@H]1C[C@H]2Nc1cccc(C(F)(F)C(F)(F)F)c1
|
COC=O)[C@H]C[C@H]C[C@H]5C[C@H]5NcccccCF)F)CF)F)F)))c6
|
[C][O][C][=Branch1][C][=O][C@H1][C][C@H1][C][C@H1][Ring1][Branch1][C][C@H1][Ring1][Branch1][N][C][=C][C][=C][C][Branch1][S][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N]
|
[C@H]16C[C@H]2C[C@H]1C[C@H]25.c14cccc7c1.C7(F)(F)C(F)(F)F.C36=O.CO3.N45
|
CCCN1C[C@@H](C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)[C@@]23CCC[C@@H]2C3)CC1=O
|
CCCNC[C@@H]C=O)NC[C@H]CC[C@H]6CN6C=O)[C@@]CCC[C@@H]5C6))))))))))))))))CC5=O
|
[C][C][C][N][C][C@@H1][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C@H1][C][C][C@H1][Ring1][=Branch1][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@][C][C][C][C@@H1][Ring1][Branch1][C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch1][=O]
|
N14C[C@H]2CC[C@H]1CN25.N18C[C@@H]6CC1=O.[C@@]127CCC[C@@H]1C2.CCC8.C46=O.C57=O
|
O=C(NCC1(Br)CCC1)NC1CCN(Cc2cccnc2)CC1
|
O=CNCCBr)CCC4))))))NCCCNCccccnc6)))))))CC6
|
[O][=C][Branch1][N][N][C][C][Branch1][C][Br][C][C][C][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N]
|
C17CCN6CC1.c19cccnc1.C18(Br)CCC1.O=C34.N35.C58.N47.C69
|
COc1ccsc1[C@@H](C(=O)NC1CCCCC1)N1CC(=O)N(C)[C@@H](C)C1
|
COcccsc5[C@@H]C=O)NCCCCCC6))))))))NCC=O)NC)[C@@H]C)C6
|
[C][O][C][C][=C][S][C][=Ring1][Branch1][C@@H1][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C][Ring1][=Branch2]
|
N14CC(=O)N(C)[C@@H](C)C1.c13ccsc16.C15CCCCC1.[C@H]46C2=O.CO3.N25
|
Cn1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H]3CCC3(C)C)C2)cc1Br
|
CnccC=O)NCC[C@]O)CNC=O)[C@@H]CCC4C)C))))))))C5))))))cc5Br
|
[C][N][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][O][Branch1][P][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][Ring1][Ring2][Branch1][C][C][C][C][Ring1][S][C][=C][Ring2][Ring1][#Branch1][Br]
|
Cn1cc8cc1Br.N14CC[C@@]9(O)C1.[C@@H]17CCC1(C)C.C48=O.C57=O.C69.N56
|
O=C(C=Cc1nccs1)NC1(CNc2ncc(I)cn2)COC1
|
O=CC=Ccnccs5)))))))NCCNcnccI)cn6))))))))COC4
|
[O][=C][Branch1][#Branch2][C][=C][C][=N][C][=C][S][Ring1][Branch1][N][C][Branch1][=C][C][N][C][=N][C][=C][Branch1][C][I][C][=N][Ring1][#Branch1][C][O][C][Ring1][=N]
|
c16ncc(I)cn1.C=7c1nccs1.C148COC1.O=C3C=7.N34.C58.N56
|
CC(C)C[C@H](C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)CCC12CCC2)C(C)C
|
CCC)C[C@H]C=O)N[C@@H]CNC=O)[C@H]C[C@@H]3C)))))CCC6CCC4)))))))))))CC)C
|
[C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][O][C][=Branch1][C][=O][C@H1][C][C@@H1][Ring1][Ring1][C][C][C][C][Ring1][N][C][C][C][Ring1][Ring2][C][Branch1][C][C][C]
|
CC(C)C[C@H](C3=O)C(C)C.[C@@H]15CN4CCC12CCC2.[C@H]16C[C@@H]1C.C46=O.N35
|
C[C@](O)(C(=O)NCC1(CCNC(=O)CC2CCC3(CC2)CC3)CC1)C1CC1
|
C[C@]O)C=O)NCCCCNC=O)CCCCCCC6))CC3)))))))))))CC3))))))CCC3
|
[C][C@][Branch1][C][O][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Ring1][Branch1][C][C][Ring1][P][C][C][C][Ring1][Ring1]
|
C1%11CCC2(CC1)CC2.C[C@]8(O)C4=O.C19%10CC1.C5(=O)C%11.C%10C7.C18CC1.N46.C69.N57
|
CC1(C)CCC=C1C(=O)NCC1(NC(=O)c2cc3nn[nH]c3cc2F)CCC1
|
CCC)CCC=C5C=O)NCCNC=O)cccnn[nH]c5cc9F))))))))))))CCC4
|
[C][C][Branch1][C][C][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][N][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][F][C][C][C][Ring1][P]
|
c18cc2nn[nH]c2cc1F.CC1(C)CCC=C1C4=O.C179CCC1.C58=O.N46.C69.N57
|
O=C(NC[C@@H](F)CNC(=O)C1CCC1)c1onc2c1CCCC2
|
O=CNC[C@@H]F)CNC=O)CCCC4))))))))))concc5CCCC6
|
[O][=C][Branch2][Ring1][Ring1][N][C][C@@H1][Branch1][C][F][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][O][N][=C][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1]
|
c17onc2c1CCCC2.C5[C@@H](F)C6.C18CCC1.O=C37.C48=O.N35.N46
|
CCN(C[C@H](C)NC(=O)c1cccnc1-n1ccnc1)C(=O)C=NOC
|
CCNC[C@H]C)NC=O)ccccnc6-nccnc5)))))))))))))))C=O)C=NOC
|
[C][C][N][Branch2][Ring1][#Branch2][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][C][=Branch1][C][=O][C][=N][O][C]
|
c17cccnc18.C3(=O)C=NOC.n18ccnc1.C5[C@@H]6C.N345.C27=O.CC4.N26
|
COc1ccc2c(c1)OC[C@@H](C(=O)N[C@H](C)CNC(=O)COCCN(C)C)C2
|
COcccccc6)OC[C@@H]C=O)N[C@H]C)CNC=O)COCCNC)C))))))))))))C6
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C@@H1][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][O][C][C][N][Branch1][C][C][C][C][Ring2][Ring1][#Branch1]
|
c17ccc2c(c1)OC[C@@H]%11C2.[C@@H]8(C)C9.C4(=O)C5.C3%11=O.C6C%10.N%10(C)C.CO7.N38.N49.O56
|
CN(CCNC(=O)[C@H](C1CC1)N1CCOCC1)C(=O)[C@H]1C[C@@H]2OC(C)(C)O[C@@H]2C1
|
CNCCNC=O)[C@H]CCC3)))NCCOCC6)))))))))))C=O)[C@H]C[C@@H]OCC)C)O[C@@H]5C8
|
[C][N][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][C][C@@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Ring1][#Branch1][C][Ring1][#Branch2]
|
[C@H]18C[C@@H]2OC(C)(C)O[C@@H]2C1.N17CCOCC1.C3(=O)[C@@H]79.CN45.C5C6.C19CC1.C48=O.N36
|
Cc1cc(CC(=O)N(C)[C@H](C)CNC(=O)[C@@]2(C)CCCCNC2=O)n(C)n1
|
CcccCC=O)NC)[C@H]C)CNC=O)[C@@]C)CCCCNC7=O)))))))))))))))nC)n5
|
[C][C][C][=C][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C][C][N][C][Ring1][Branch2][=O][N][Branch1][C][C][N][=Ring2][Ring1][#Branch2]
|
[C@]17(C)CCCCNC1=O.Cc1cc8n(C)n1.C8C3=O.[C@@H]5(C)C6.N35C.C47=O.N46
|
O=C([C@H]1C[C@@H]2[C@H](C1)C2(F)F)N1CC[C@H]2CCN(C(=O)CCC3CC(F)(F)C3)[C@H]2C1
|
O=C[C@H]C[C@@H][C@H]C5)C3F)F))))))NCC[C@H]CCNC=O)CCCCCF)F)C4)))))))[C@H]5C9
|
[O][=C][Branch1][P][C@H1][C][C@@H1][C@H1][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][Ring2][Branch1][C][F][F][N][C][C][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][C@H1][Ring1][#C][C][Ring2][Ring1][Ring1]
|
N14CC[C@H]2CCN5[C@H]2C1.[C@H]16C[C@@H]2[C@H](C1)C2(F)F.C17CC(F)(F)C1.C5(=O)CC7.O=C46
|
CN(C)Cc1c[nH]c(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2CCC(C#N)CC2)c1
|
CNC)Ccc[nH]cC=O)N[C@@H]CCCC[C@H]6NC=O)CCCCC#N))CC6))))))))))))))))c5
|
[C][N][Branch1][C][C][C][C][=C][NH1][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch2][=C][Ring2][Ring1][=Branch2]
|
C19CCC(C#N)CC1.[C@@H]16CCCC[C@H]17.c1%10c[nH]c8c1.CN5C.C38=O.C49=O.C5%10.N36.N47
|
CCN(CC)CC[C@@H](C)NC(=O)[C@@H](CCC1CC1)NC(=O)C1CC(OC)(OC)C1
|
CCNCC))CC[C@@H]C)NC=O)[C@@H]CCCCC3)))))NC=O)CCCOC))OC))C4
|
[C][C][N][Branch1][Ring1][C][C][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][C][C][C][C][C][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][Branch1][Ring1][O][C][Branch1][Ring1][O][C][C][Ring1][Branch2]
|
C2(=O)[C@H]%12CC4.C13CC67C1.C%10C[C@H]%11C.N89%10.C14CC1.C53=O.CC8.C9C.N2%11.N5%12.O6C.O7C
|
O=C(C[C@H]1CC2(CCOCC2)CO1)NCC#CCNC(=O)Cn1cncn1
|
O=CC[C@H]CCCCOCC6)))))CO5))))))NCC#CCNC=O)Cncncn5
|
[O][=C][Branch2][Ring1][C][C][C@H1][C][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][O][Ring1][#Branch2][N][C][C][#C][C][N][C][=Branch1][C][=O][C][N][C][=N][C][=N][Ring1][Branch1]
|
[C@H]18CC2(CCOCC2)CO1.C5C#CC6.n17cncn1.O=C3C8.C4(=O)C7.N35.N46
|
Cc1csc2ccc(CC(=O)N[C@@H]3[C@H]4C[C@@H]3N(C(=O)C3(CN(C)C)CC3)C4)cc12
|
CccsccccCC=O)N[C@@H][C@H]C[C@@H]4NC=O)CCNC)C)))CC3))))C5)))))))))cc96
|
[C][C][=C][S][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][N][C@@H1][C@H1][C][C@@H1][Ring1][Ring2][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][C][Ring1][#Branch1][C][Ring1][=C][C][=C][Ring2][Ring1][N][Ring2][Ring1][=Branch2]
|
Cc1csc2ccc%11cc12.[C@@H]18[C@H]2C[C@@H]1N6C2.C%11C5=O.C19%10CC1.C69=O.N7(C)C.N58.C7%10
|
C#CCC1(C(=O)N[C@]23C[C@H]2CN(C(=O)c2cc4c(s2)CC[C@H](CC)C4)C3)CCC1
|
C#CCCC=O)N[C@]C[C@H]3CNC=O)ccccs5)CC[C@H]CC))C6)))))))))C6))))))))CCC4
|
[C][#C][C][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C@][C][C@H1][Ring1][Ring1][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C@H1][Branch1][Ring1][C][C][C][Ring1][=Branch2][C][Ring2][Ring1][Ring1][C][C][C][Ring2][Ring1][#Branch2]
|
c18cc2c(s1)CC[C@H]%11C2.[C@]127C[C@H]1CN6C2.C19%10CCC1.C#CC%10.C59=O.C68=O.N57.C%11C
|
CCN(C[C@@H](C)NC(=O)c1cc2c(nn1)OCCS2)C(=O)[C@@H](C)OCCC(C)C
|
CCNC[C@@H]C)NC=O)ccccnn6))OCCS6))))))))))))C=O)[C@@H]C)OCCCC)C
|
[C][C][N][Branch2][Ring1][O][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][N][=N][Ring1][=Branch1][O][C][C][S][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][Branch1][C][C][O][C][C][C][Branch1][C][C][C]
|
c1%10cc2c(nn1)OCCS2.C4(=O)[C@H]5C.C6CC(C)C.C8[C@H]9C.N478.C3%10=O.CC7.N39.O56
|
CN(CC(F)(F)CO)C(=O)C1=CC[C@H](NC(=O)c2cc(O)ncc2F)C1
|
CNCCF)F)CO))))C=O)C=CC[C@H]NC=O)cccO)ncc6F)))))))))C5
|
[C][N][Branch1][O][C][C][Branch1][C][F][Branch1][C][F][C][O][C][=Branch1][C][=O][C][=C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=N][C][=C][Ring1][#Branch1][F][C][Ring1][S]
|
C3(=O)C1=CC[C@H]6C1.c17cc(O)ncc1F.C5C(F)(F)CO.CN35.C47=O.N46
|
CC(C)CCC(=O)NC(C)(C)C(=O)NCC1(C)CC2(CCC2)C1
|
CCC)CCC=O)NCC)C)C=O)NCCC)CCCCC4)))C4
|
[C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][Branch2]
|
C17(C)CC2(CCC2)C1.CC(C)CCC3=O.C5(C)(C)C4=O.N35.N46.C67
|
C#CCNC(=O)CC(=O)N[C@@H](C)C1CN(C(=O)[C@H]2CCCCN2C(=O)CC)C1
|
C#CCNC=O)CC=O)N[C@@H]C)CCNC=O)[C@H]CCCCN6C=O)CC))))))))))C4
|
[C][#C][C][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][Ring1][S]
|
[C@H]19CCCCN16.C3(=O)CC4=O.C1%10CN5C1.C6(=O)CC.C#CC7.[C@@H]8%10C.C59=O.N37.N48
|
C=CCCCC(=O)N1CCC(C)(CNC(=O)c2ccc(OC3CC3)c(F)n2)CC1
|
C=CCCCC=O)NCCCC)CNC=O)ccccOCCC3))))cF)n6)))))))))CC6
|
[C][=C][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][C][C][Ring1][Ring1][C][Branch1][C][F][=N][Ring1][O][C][C][Ring2][Ring1][=Branch1]
|
N14CCC%10(C)CC1.c19ccc7c(F)n1.C=CCCCC4=O.C59=O.C16CC1.C8%10.N58.O67
|
Cc1cc(C(=O)N2CC(O)([C@@H](C)NC(=O)[C@H]3CCC(C)(C)CO3)C2)nn1C(F)F
|
CcccC=O)NCCO)[C@@H]C)NC=O)[C@H]CCCC)C)CO6)))))))))C4)))))nn5CF)F
|
[C][C][=C][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch2][Ring1][Branch2][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2][C][Ring2][Ring1][C][=N][N][Ring2][Ring1][=Branch2][C][Branch1][C][F][F]
|
[C@H]17CCC(C)(C)CO1.Cc1cc8nn19.N14CC%10(O)C1.C48=O.[C@H]6%10C.C57=O.C9(F)F.N56
|
CCC(C)(C)[C@H](O)C(=O)NC/C=C\CNC(=O)c1c[nH]c2nc(Cl)ccc12
|
CCCC)C)[C@H]O)C=O)NC/C=C\CNC=O)cc[nH]cncCl)ccc96
|
[C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][/C][=C][\C][N][C][=Branch1][C][=O][C][=C][NH1][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1]
|
c17c[nH]c2nc(Cl)ccc12.CCC(C)(C)[C@H](O)C3=O.C5C=8.C=8C6.C47=O.N35.N46
|
CO[C@@H]1CN(C(=O)C2(C)CC(OC)(OC)C2)C[C@H]1NC(=O)C1(F)CC2(CCC2)C1
|
CO[C@@H]CNC=O)CC)CCOC))OC))C4)))))C[C@H]5NC=O)CF)CCCCC4)))C4
|
[C][O][C@@H1][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][Ring1][O][C][Branch1][Ring1][O][C][C][Ring1][=Branch2][C][C@H1][Ring1][S][N][C][=Branch1][C][=O][C][Branch1][C][F][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][Branch2]
|
C1%10(F)CC2(CCC2)C1.[C@@H]15CN3C[C@H]18.C19(C)CC67C1.C39=O.C4%10=O.CO5.O6C.O7C.N48
|
Cc1ccc(S(N)(=O)=O)cc1C(=O)NC(C)(C)CCNC(=O)c1ccc(=O)oc1
|
CccccSN)=O)=O))cc6C=O)NCC)C)CCNC=O)cccc=O)oc6
|
[C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][#Branch1]
|
Cc1ccc(S(N)(=O)=O)cc16.c17ccc(=O)oc1.C4(C)(C)CC5.C26=O.C37=O.N24.N35
|
CC(C)[C@]1(C(=O)NC[C@@H](C)c2ccncc2)CCCN1C(=O)[C@H](C)N1CCCC1
|
CCC)[C@]C=O)NC[C@@H]C)cccncc6))))))))))CCCN5C=O)[C@H]C)NCCCC5
|
[C][C][Branch1][C][C][C@][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][N][Ring1][P][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][C][C][C][Ring1][Branch1]
|
[C@]178CCCN14.c19ccncc1.C4(=O)[C@@H]6C.N16CCCC1.C5[C@H]9C.CC8C.C37=O.N35
|
CCC[C@@]1(NC(=O)c2n[nH]cc2OC)CCCN(C(=O)C(=O)NCC(F)F)C1
|
CCC[C@@]NC=O)cn[nH]cc5OC)))))))))CCCNC=O)C=O)NCCF)F))))))C6
|
[C][C][C][C@@][Branch1][#C][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][O][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][Branch1][C][F][F][C][Ring2][Ring1][=Branch2]
|
[C@@]17%10CCCN4C1.c19n[nH]cc16.C4(=O)C5=O.C8C(F)F.CCC%10.C39=O.N37.O6C.N58
|
COCCCC(=O)NC[C@@]1(C)CN(C(=O)[C@H](O)c2ccc(Cl)cc2F)CCO1
|
COCCCC=O)NC[C@@]C)CNC=O)[C@H]O)ccccCl)cc6F)))))))))CCO6
|
[C][O][C][C][C][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][C][C][O][Ring2][Ring1][Ring1]
|
[C@]17(C)CN4CCO1.c18ccc(Cl)cc1F.C5CCC3=O.C4(=O)[C@@H]8O.CO5.N36.C67
|
C[C@H](NC(=O)c1ccc2c(c1)CC(C)(C)O2)[C@]1(O)CCN(C(=O)CP(C)(C)=O)C1
|
C[C@H]NC=O)cccccc6)CCC)C)O5))))))))))[C@]O)CCNC=O)CPC)C)=O))))C5
|
[C][C@H1][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2][C@][Branch1][C][O][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][P][Branch1][C][C][Branch1][C][C][=O][C][Ring1][=N]
|
c16ccc2c(c1)CC(C)(C)O2.[C@@]17(O)CCN4C1.C4(=O)CP(C)(C)=O.C[C@H]57.C36=O.N35
|
C=CCC1(C(=O)N2CC[C@](O)(CNC(=O)[C@H](C)S(N)(=O)=O)C2)CCCC1
|
C=CCCC=O)NCC[C@]O)CNC=O)[C@H]C)SN)=O)=O))))))C5))))))CCCC5
|
[C][=C][C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][O][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][S][Branch1][C][N][=Branch1][C][=O][=O][C][Ring1][S][C][C][C][C][Ring2][Ring1][#Branch1]
|
C4(=O)[C@H](C)S(N)(=O)=O.N13CC[C@@]8(O)C1.C167CCCC1.C=CC7.C36=O.C58.N45
|
Cc1csc([C@H](C)C(=O)NCCCCNC(=O)C[C@H]2CC[C@H](C)CO2)n1
|
Cccsc[C@H]C)C=O)NCCCCNC=O)C[C@H]CC[C@H]C)CO6))))))))))))))))n5
|
[C][C][=C][S][C][Branch2][Ring1][#C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][N][C][=Branch1][C][=O][C][C@H1][C][C][C@H1][Branch1][C][C][C][O][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2]
|
[C@H]17CC[C@H](C)CO1.Cc1csc8n1.[C@@H]8(C)C3=O.C5CCC6.C4(=O)C7.N35.N46
|
CC[C@H](CCCC(=O)N[C@H]1CCCC[C@@H]1OC)NC(=O)c1ccns1
|
CC[C@H]CCCC=O)N[C@H]CCCC[C@@H]6OC)))))))))))))NC=O)cccns5
|
[C][C][C@H1][Branch2][Ring1][Ring1][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][O][C][N][C][=Branch1][C][=O][C][=C][C][=N][S][Ring1][Branch1]
|
CC[C@@H]5CCCC2=O.[C@H]16CCCC[C@@H]14.c17ccns1.C37=O.N26.O4C.N35
|
Cc1n[nH]cc1CC(=O)N[C@]1(CNC(=O)CC2CC=CC2)CCOC1
|
Ccn[nH]cc5CC=O)N[C@]CNC=O)CCCC=CC5)))))))))CCOC5
|
[C][C][=N][NH1][C][=C][Ring1][Branch1][C][C][=Branch1][C][=O][N][C@][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][C][C][=C][C][Ring1][Branch1][C][C][O][C][Ring1][#C]
|
Cc1n[nH]cc19.[C@@]157CCOC1.C18CC=CC1.C9C3=O.C4(=O)C8.N35.C67.N46
|
CN(C)[C@H](C(=O)N1C[C@@H]2C[C@]2(NC(=O)/C=C/C2CCCCC2)C1)C1CCCCC1
|
CNC)[C@H]C=O)NC[C@@H]C[C@]3NC=O)/C=C/CCCCCC6))))))))))C6)))))))CCCCCC6
|
[C][N][Branch1][C][C][C@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@@H1][C][C@][Ring1][Ring1][Branch1][S][N][C][=Branch1][C][=O][/C][=C][/C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][P][C][C][C][C][C][C][Ring1][=Branch1]
|
N13C[C@@H]2C[C@]26C1.C=7C1CCCCC1.C18CCCCC1.[C@H]58C3=O.C4(=O)C=7.CN5C.N46
|
C=C(CC)Cn1cc(CCN(C)C(=O)[C@@H]2C[C@H](O)C23CCC3)nn1
|
C=CCC))CnccCCNC)C=O)[C@@H]C[C@H]O)C4CCC4)))))))))))nn5
|
[C][=C][Branch1][Ring1][C][C][C][N][C][=C][Branch2][Ring1][=Branch2][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C@H1][Branch1][C][O][C][Ring1][Branch1][C][C][C][Ring1][Ring2][N][=N][Ring2][Ring1][Ring1]
|
[C@@H]16C[C@H](O)C12CCC2.n17cc8nn1.C=C(C7)CC.C8C5.N45C.C46=O
|
Cc1c(CCNC(=O)[C@H]2OCC[C@H]2NC(=O)CN(C)C(N)=O)cnn1C
|
CccCCNC=O)[C@H]OCC[C@H]5NC=O)CNC)CN)=O)))))))))))))))cnn5C
|
[C][C][=C][Branch2][Ring1][=C][C][C][N][C][=Branch1][C][=O][C@H1][O][C][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][Branch1][C][N][=O][C][=N][N][Ring2][Ring1][Branch2][C]
|
Cc1c%10cnn1C.[C@H]19OCC[C@H]18.C4(=O)C7.C%10C6.C39=O.N57C.C5(N)=O.N36.N48
|
CCN(CCN(CC)C(=O)[C@H]1C[C@@H](S(C)(=O)=O)C1)C(=O)[C@H]1CC[C@@]12CCCO2
|
CCNCCNCC))C=O)[C@H]C[C@@H]SC)=O)=O))C4))))))))C=O)[C@H]CC[C@@]4CCCO5
|
[C][C][N][Branch2][Ring1][N][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][Branch2][C][=Branch1][C][=O][C@H1][C][C][C@@][Ring1][Ring2][C][C][C][O][Ring1][Branch1]
|
[C@H]19C[C@@H](S(C)(=O)=O)C1.[C@H]1%10CC[C@@]12CCCO2.N456.C6C7.N378.C39=O.C4%10=O.CC5.C8C
|
Cc1c(Cl)cccc1C(=O)NC1CC2(C1)CN(C(=O)[C@@H]1NC(=O)C[C@@H]1C)C2
|
CccCl)cccc6C=O)NCCCC4)CNC=O)[C@@H]NC=O)C[C@@H]5C)))))))C4
|
[C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][N][C][=Branch1][C][=O][C][C@@H1][Ring1][=Branch1][C][C][Ring1][=C]
|
Cc1c7cccc1Cl.C15CC2(C1)CN4C2.[C@@H]16NC(=O)C[C@@H]1C.C37=O.C46=O.N35
|
Cc1cnc(C(=O)N2C[C@@H]3C(CNC(=O)c4c(C)ccnc4Cl)[C@H]3C2)cc1C
|
CccncC=O)NC[C@@H]CCNC=O)ccC)ccnc6Cl))))))))))[C@H]3C6)))))))cc6C
|
[C][C][=C][N][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][N][=C][Ring1][#Branch1][Cl][C@H1][Ring1][#C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][#Branch2][C]
|
Cc1cnc8cc1C.c19c(C)ccnc1Cl.N15C[C@@H]2C%10[C@H]2C1.C58=O.C69=O.C7%10.N67
|
CC[C@H](C(=O)N1CC2=C(CN(C(=O)c3ncnc4c3OCCO4)C2)C1)N(C)C
|
CC[C@H]C=O)NCC=CCNC=O)cncncc6OCCO6)))))))))))C5)))C5))))))NC)C
|
[C][C][C@H1][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][O][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=N][C][=N][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][=Branch1][C][Ring1][P][C][Ring2][Ring1][Ring2][N][Branch1][C][C][C]
|
c18ncnc2c1OCCO2.N15CC2=C(C1)CN6C2.CC[C@@H]7C5=O.C68=O.N7(C)C
|
CCc1ccc(CC(=O)N2CCN(C(=O)[C@@](C)(O)CC(F)(F)F)C[C@H]2C)cc1F
|
CCccccCC=O)NCCNC=O)[C@@]C)O)CCF)F)F)))))C[C@H]6C)))))))))cc6F
|
[C][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][C][O][C][C][Branch1][C][F][Branch1][C][F][F][C][C@H1][Ring1][S][C][C][=C][Ring2][Ring1][#Branch2][F]
|
C4(=O)[C@@](C)(O)CC(F)(F)F.c15ccc6cc1F.N13CCN4C[C@H]1C.C6C3=O.CC5
|
C=CCN(CCC#N)S(=O)(=O)c1c[nH]ccc1=NC[C@@H](CCO)C(C)(C)C
|
C=CCNCCC#N))))S=O)=O)cc[nH]ccc6=NC[C@@H]CCO)))CC)C)C
|
[C][=C][C][N][Branch1][Branch1][C][C][C][#N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][NH1][C][=C][C][Ring1][=Branch1][=N][C][C@@H1][Branch1][Ring2][C][C][O][C][Branch1][C][C][Branch1][C][C][C]
|
S4(=O)(=O)c1c[nH]ccc1=NC[C@@H](CCO)C(C)(C)C.C3CC#N.C=CC2.N234
|
Cc1ccc(C)c(C(=O)N2CCCN(C(=O)c3cncc(O)c3Cl)C[C@H]2C)c1
|
CccccC)cC=O)NCCCNC=O)ccnccO)c6Cl))))))))C[C@H]7C)))))))))c6
|
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][O][=C][Ring1][#Branch1][Cl][C][C@H1][Ring1][P][C][=C][Ring2][Ring1][O]
|
N14CCCN5C[C@H]1C.Cc1ccc(C)c6c1.c17cncc(O)c1Cl.C46=O.C57=O
|
CCC(C)=C(C)C(=O)N[C@@H](C(C)C)C1CCN(C(=O)c2cc(C)cnc2N)CC1
|
CCCC)=CC)C=O)N[C@@H]CC)C))CCCNC=O)cccC)cnc6N))))))))CC6
|
[C][C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][N][=C][Ring1][#Branch1][N][C][C][Ring1][S]
|
c16cc(C)cnc1N.C18CCN4CC1.C=7(C)C3=O.[C@@H]58C(C)C.CCC=7C.C46=O.N35
|
O=C(NCc1cccc(NC(=O)[C@@H](O)CC2CCCC2)c1)C1=C(Cl)CC1
|
O=CNCcccccNC=O)[C@@H]O)CCCCCC5)))))))))c6))))))))C=CCl)CC4
|
[O][=C][Branch2][Ring1][#C][N][C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][C][C][C][C][Ring1][Branch1][=C][Ring1][P][C][=C][Branch1][C][Cl][C][C][Ring1][Branch1]
|
O=C3C1=C(Cl)CC1.c18cccc6c1.C4(=O)[C@@H](O)C7.C17CCCC1.N35.C58.N46
|
C[C@@H](CC(C)(F)F)C(=O)N(C)C[C@@H]1CN(C(=O)C2(c3ccnn3C)CC2)CCO1
|
C[C@@H]CCC)F)F)))C=O)NC)C[C@@H]CNC=O)Ccccnn5C))))))CC3))))CCO6
|
[C][C@@H1][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][F][F][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=N][N][Ring1][Branch1][C][C][C][Ring1][=Branch2][C][C][O][Ring1][P]
|
C[C@@H](CC(C)(F)F)C4=O.[C@@H]18CN5CCO1.c19ccnn1C.C179CC1.N46C.C57=O.C68
|
C=C1CC(C(=O)N2C[C@H]3CCCC[C@@]3(NC(=O)[C@H]3CCCCC(=O)N3)C2)C1
|
C=CCCC=O)NC[C@H]CCCC[C@@]6NC=O)[C@H]CCCCC=O)N7)))))))))C9))))))))))C4
|
[C][=C][C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C][C@@][Ring1][=Branch1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@H1][C][C][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][C][Ring2][Ring1][Ring2][C][Ring2][Ring1][#Branch2]
|
N14C[C@H]2CCCC[C@@]26C1.[C@H]17CCCCC(=O)N1.C=C1CC8C1.C48=O.C57=O.N56
|
CCc1nonc1C(=O)N1C[C@@H](F)C[C@H]1CN(C)C(=O)[C@@]12CC=C[C@@H](C1)OC2
|
CCcnonc5C=O)NC[C@@H]F)C[C@H]5CNC)C=O)[C@@]CC=C[C@@H]C6)OC7
|
[C][C][C][=N][O][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][F][C][C@H1][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@][C][C][=C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][O][C][Ring1][Branch2]
|
[C@@]127CC=C[C@@H](C1)OC2.N13C[C@@H](F)C[C@H]18.c19nonc16.C36=O.N45C.C47=O.CC9.C58
|
CC[C@@H](C)[C@H](C(=O)NCC1(COC)CN(C(=O)CC2(C)CC2)C1)c1ccccc1
|
CC[C@@H]C)[C@H]C=O)NCCCOC)))CNC=O)CCC)CC3)))))C4)))))))cccccc6
|
[C][C][C@@H1][Branch1][C][C][C@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][Branch1][Ring2][C][O][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][Ring1][Ring2][C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CC[C@@H](C)[C@@H]%10C3=O.C178CN4C1.c1%10ccccc1.C4(=O)C9.C19(C)CC1.N36.C67.C58.O5C
|
C=C[C@H](C)CC(=O)N1C[C@@H]2[C@H](C1)[C@H]2NC(=O)COc1ccc(F)cc1Cl
|
C=C[C@H]C)CC=O)NC[C@@H][C@H]C5)[C@H]3NC=O)COccccF)cc6Cl
|
[C][=C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][C@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl]
|
c16ccc(F)cc1Cl.C=C[C@H](C)CC3=O.N13C[C@@H]2[C@@H]7[C@@H]2C1.C4(=O)C5.N47.O56
|
C=C1C[C@H]1C(=O)N[C@@H]1CCCCC12CCN(C(=O)CCc1c(C)n[nH]c1C)CC2
|
C=CC[C@H]3C=O)N[C@@H]CCCCC6CCNC=O)CCccC)n[nH]c5C)))))))))CC6
|
[C][=C][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][C][Ring1][=Branch1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][C][Ring1][P]
|
[C@@H]15CCCCC12CCN4CC2.c17c(C)n[nH]c1C.C4(=O)CC7.C=C1C[C@H]16.C36=O.N35
|
CCOc1ncccc1C(=O)N1CC[C@@H]([C@@H](C)N=c2[nH]cnc3cnccc23)C1
|
CCOcncccc6C=O)NCC[C@@H][C@@H]C)N=c[nH]cnccnccc%106))))))))))))C5
|
[C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][Ring2][C@@H1][Branch1][C][C][N][=C][NH1][C][=N][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring2][Ring1][C]
|
[C@H]8(C)N=c1[nH]cnc2cnccc12.c16ncccc17.N14CC[C@@H]8C1.C47=O.CC5.O56
|
C[C@@H](C(=O)N[C@@](C)(CNC(=O)c1ccnnc1)C1CC1)n1ccc(C(F)(F)F)n1
|
C[C@@H]C=O)N[C@@]C)CNC=O)cccnnc6)))))))))CCC3))))))ncccCF)F)F))n5
|
[C][C@@H1][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@@][Branch1][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2]
|
c16ccnnc1.n17ccc8n1.C[C@H]7C2=O.[C@@]49(C)C5.C8(F)(F)F.C36=O.C19CC1.N24.N35
|
Cc1cc(NC(=O)C(=O)NC[C@@H]2C(F)(F)C23CCC3)cc(C(N)=O)c1
|
CcccNC=O)C=O)NC[C@@H]CF)F)C3CCC4)))))))))))ccCN)=O))c6
|
[C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@@H1][C][Branch1][C][F][Branch1][C][F][C][Ring1][Branch1][C][C][C][Ring1][Ring2][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring2][Ring1][Branch2]
|
Cc1cc7cc8c1.[C@@H]19C(F)(F)C12CCC2.C4(=O)C5=O.C8(N)=O.N47.N56.C69
|
CCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)C1(C(=O)N2CCCC2)CC1
|
CCC=O)NCC=O)NC[C@@H]C[C@H]5[C@@H]4NC=O)CC=O)NCCCC5))))))CC3
|
[C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Ring1][Branch1][C@@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][#Branch2]
|
N14C[C@@H]2C[C@H]1[C@@H]28.N16CCCC1.CCC3=O.C7C4=O.C19%10CC1.C59=O.C6%10=O.N37.N58
|
Cc1nc(NC2CC2)sc1C(=O)N1CCC[C@H]1C(C)(C)NC(=O)C1CC1
|
CcncNCCC3))))sc5C=O)NCCC[C@H]5CC)C)NC=O)CCC3
|
[C][C][N][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][S][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1]
|
Cc1nc6sc18.N13CCC[C@H]1%10.C5%10(C)C.C17CC1.C38=O.C49=O.C19CC1.N67.N45
|
CO[C@H]1C[C@@H](CC(=O)NCCC2CCN(C(=O)C3C4CCC3CC4)CC2)C1
|
CO[C@H]C[C@@H]CC=O)NCCCCCNC=O)CCCCC5CC6))))))))CC6)))))))))))C4
|
[C][O][C@H1][C][C@@H1][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=Branch1][C][C][Ring1][#C][C][Ring2][Ring1][=Branch2]
|
C1%11CCN6CC1.C19C2CCC1CC2.[C@H]17C[C@@H]%10C1.C%10C5=O.C8C%11.C69=O.CO7.N58
|
CC(C)(C(=O)N[C@H]1CN(C(=O)C2CCCC2)C[C@@H]2C[C@@H]21)c1sccc1Cl
|
CCC)C=O)N[C@H]CNC=O)CCCCC5))))))C[C@@H]C[C@@H]37)))))))))csccc5Cl
|
[C][C][Branch1][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@H1][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C@@H1][C][C@@H1][Ring1][Ring1][Ring1][=C][C][S][C][=C][C][=Ring1][Branch1][Cl]
|
[C@H]15CN4C[C@@H]2C[C@@H]21.CC7(C)C3=O.c17sccc1Cl.C16CCCC1.C46=O.N35
|
CO[C@@H](CS(=O)(=O)Nc1c(F)ccc(Cl)c1CO)c1ccccc1
|
CO[C@@H]CS=O)=O)NccF)cccCl)c6CO)))))))))))cccccc6
|
[C][O][C@@H1][Branch2][Ring1][#Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
c14c(F)ccc(Cl)c16.[C@@H]25CS3(=O)=O.c15ccccc1.CO2.N34.C6O
|
CN(C)CC[C@@H]1CCN(c2nc3ccccc3c(=NC[C@@H]3CCCC3(C)C)[nH]2)C1
|
CNC)CC[C@@H]CCNcncccccc6c=NC[C@@H]CCCC5C)C))))))))[nH]%10))))))))))C5
|
[C][N][Branch1][C][C][C][C][C@@H1][C][C][N][Branch2][Ring1][#C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][=C][=N][C][C@@H1][C][C][C][C][Ring1][Branch1][Branch1][C][C][C][NH1][Ring2][Ring1][Ring1][C][Ring2][Ring1][Branch2]
|
c15nc2ccccc2c(=NC7)[nH]1.[C@@H]17CCCC1(C)C.[C@@H]16CCN5C1.CN4C.C4C6
|
C=CCOCC(=O)N1C[C@H]2C[C@@H](C1)C2NC(=O)CSc1ccc(C)cc1C
|
C=CCOCC=O)NC[C@H]C[C@@H]C6)C4NC=O)CSccccC)cc6C
|
[C][=C][C][O][C][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C]
|
N13C[C@H]2C[C@@H](C1)C28.c19ccc(C)cc1C.C6C3=O.C4(=O)C7.C=CC5.O56.N48.S79
|
C[C@H](NC(=O)c1cc(CO)n(C)n1)[C@@H](C)NC(=O)CCNc1ccccn1
|
C[C@H]NC=O)cccCO))nC)n5)))))))[C@@H]C)NC=O)CCNcccccn6
|
[C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][Branch1][Ring1][C][O][N][Branch1][C][C][N][=Ring1][Branch2][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][C][=N][Ring1][=Branch1]
|
c18cc9n(C)n1.c17ccccn1.C[C@H]4[C@H]5C.C3(=O)CC6.C28=O.N24.C9O.N35.N67
|
CCCNC(=O)CCC(=O)N[C@@H]1C[C@@H](NC(=O)c2c(C)cccc2N)C[C@H]1O
|
CCCNC=O)CCC=O)N[C@@H]C[C@@H]NC=O)ccC)cccc6N)))))))))C[C@H]5O
|
[C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][N][C][C@H1][Ring1][S][O]
|
c19c(C)cccc1N.C3(=O)CCC4=O.[C@@H]17C[C@@H]8C[C@H]1O.CCC6.C59=O.N36.N47.N58
|
C[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(C(=O)[C@@H](C)Oc3ccc(O)cc3)C2)C1(F)F
|
C[C@@H][C@@H]C=O)N[C@]C)CCNC=O)[C@@H]C)OccccO)cc6)))))))))C5)))))))C3F)F
|
[C][C@@H1][C@@H1][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C@][Branch1][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C][C][Ring2][Ring1][Branch2][Branch1][C][F][F]
|
[C@@]18(C)CCN5C1.c17ccc(O)cc1.C[C@@H]1[C@@H]9C1(F)F.C5(=O)[C@H]6C.C49=O.N48.O67
|
CC[C@@](C)(CNC(=O)Cc1csc(Cl)n1)NC(=O)[C@@H]1C[C@H]1CC(C)C
|
CC[C@@]C)CNC=O)CccscCl)n5)))))))))NC=O)[C@@H]C[C@H]3CCC)C
|
[C][C][C@@][Branch1][C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][C][Cl][=N][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][C][Branch1][C][C][C]
|
CC[C@@]4(C)C5.c17csc(Cl)n1.C2(=O)C7.[C@@H]16C[C@H]18.C8C(C)C.C36=O.N25.N34
|
C=CCn1nnnc1C1(N[C@@H]2C(=O)NCC2(C)C)CCCCCCC1
|
C=CCnnnnc5CN[C@@H]C=O)NCC5C)C)))))))CCCCCCC8
|
[C][=C][C][N][N][=N][N][=C][Ring1][Branch1][C][Branch1][S][N][C@@H1][C][=Branch1][C][=O][N][C][C][Ring1][=Branch1][Branch1][C][C][C][C][C][C][C][C][C][C][Ring1][P]
|
C136CCCCCCC1.[C@@H]14C(=O)NCC1(C)C.n15nnnc16.C=CC5.N34
|
C[C@H](CCCNC(=O)Cc1ccc(O)cc1Cl)NC(=O)CC[C@H]1CCC(=O)NC1
|
C[C@H]CCCNC=O)CccccO)cc6Cl)))))))))))))NC=O)CC[C@H]CCC=O)NC6
|
[C][C@H1][Branch2][Ring1][=Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Cl][N][C][=Branch1][C][=O][C][C][C@H1][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1]
|
c17ccc(O)cc1Cl.[C@H]16CCC(=O)NC1.C[C@@H]4CCC5.C3(=O)CC6.C2(=O)C7.N25.N34
|
CC(C)(C)C#CC(=O)N1CC2(C[C@@H](NC(=O)c3cc(Cl)ccc3Cl)CO2)C1
|
CCC)C)C#CC=O)NCCC[C@@H]NC=O)cccCl)ccc6Cl)))))))))CO5))))C4
|
[C][C][Branch1][C][C][Branch1][C][C][C][#C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][O][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][O][Ring1][S][C][Ring2][Ring1][Ring1]
|
N14CC2(C[C@@H]6CO2)C1.CC(C)(C)C#CC4=O.c17cc(Cl)ccc1Cl.C57=O.N56
|
CS[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H](CC(=O)N3CC(C)(N(C)C)C3)C2(C)C)C1
|
CS[C@H]C[C@H]C=O)N[C@@H]C[C@@H]CC=O)NCCC)NC)C))C4))))))C4C)C)))))))C4
|
[C][S][C@H1][C][C@H1][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][Branch2][C][Ring1][#C][Branch1][C][C][C][C][Ring2][Ring1][Branch2]
|
[C@@H]17C[C@@H]9C1(C)C.N15CC6(C)C1.[C@H]1%10C[C@H]8C1.C9C5=O.C48=O.N6(C)C.CS%10.N47
|
COC(=O)c1cc(Br)c(-c2noc([C@H]3C[C@@H](C(=O)OC)C34CC4)n2)o1
|
COC=O)cccBr)c-cnoc[C@H]C[C@@H]C=O)OC)))C4CC3))))))n5)))))o5
|
[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][Branch2][Ring1][=N][C][=N][O][C][Branch2][Ring1][Ring1][C@H1][C][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][Branch2][C][C][Ring1][Ring1][=N][Ring1][#C][O][Ring2][Ring1][Branch1]
|
c17cc(Br)c9o1.[C@H]1%10C[C@@H]8C12CC2.c19noc%10n1.C57=O.C68=O.CO5.O6C
|
CN(CCNCc1cccc(Cl)c1[N+](=O)[O-])CCNC(=O)[C@@H]1C[C@H]1N
|
CNCCNCcccccCl)c6[N+]=O)[O-]))))))))))))CCNC=O)[C@@H]C[C@H]3N
|
[C][N][Branch2][Ring1][Branch1][C][C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][N]
|
c19cccc(Cl)c1[N+](=O)[O-].[C@@H]18C[C@H]1N.CN36.C3C4.C6C7.C28=O.N45.C59.N27
|
COC[C@@]1(C(=O)N2CCC[C@H](C(=O)OC)C2)C=CCN1C(=O)CCNC(=O)CO
|
COC[C@@]C=O)NCCC[C@H]C=O)OC)))C6)))))))C=CCN5C=O)CCNC=O)CO
|
[C][O][C][C@@][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][#Branch2][C][=C][C][N][Ring1][P][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][O]
|
[C@@]19%11C=CCN15.N14CCC[C@H]%10C1.C5(=O)CC8.C6(=O)CO.C49=O.C3%10=O.CO7.C7%11.O3C.N68
|
CN(CCNC(=O)c1ccsc1S(C)(=O)=O)C(=O)c1cncc(-n2cccc2)c1
|
CNCCNC=O)cccsc5SC)=O)=O)))))))))))C=O)ccncc-ncccc5)))))c6
|
[C][N][Branch2][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][=C][Ring1][O]
|
c17ccsc1S(C)(=O)=O.c18cncc9c1.n19cccc1.CN45.C5C6.C37=O.C48=O.N36
|
CCCCc1noc([C@@H](C)NC[C@H]2CC(=O)N(CCOC)C2)n1
|
CCCCcnoc[C@@H]C)NC[C@H]CC=O)NCCOC))))C5))))))))n5
|
[C][C][C][C][C][=N][O][C][Branch2][Ring1][#Branch1][C@@H1][Branch1][C][C][N][C][C@H1][C][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][O][C][C][Ring1][#Branch2][=N][Ring2][Ring1][Ring1]
|
[C@H]19CC(=O)N6C1.c17noc8n1.CCCC7.[C@H]48C.C6C3.N45.C59.O3C
|
C#C[C@@H](C)C1CCN(C(=O)/C=C/CC(C)(C)NC(=O)COc2ccn(C)n2)CC1
|
C#C[C@@H]C)CCCNC=O)/C=C/CCC)C)NC=O)COcccnC)n5))))))))))))))CC6
|
[C][#C][C@@H1][Branch1][C][C][C][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][/C][=C][/C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2]
|
C19CCN3CC1.C=8CC7(C)C.c16ccn(C)n1.C#C[C@H]9C.C3(=O)C=8.C4(=O)C5.N47.O56
|
CC(C)SCC(=O)NCc1ccccc1CNC(=O)CO[C@H]1C#CCCCCC1
|
CCC)SCC=O)NCcccccc6CNC=O)CO[C@H]C#CCCCCC8
|
[C][C][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][C@H1][C][#C][C][C][C][C][C][Ring1][Branch2]
|
[C@H]16C#CCCCCC1.c1%11ccccc13.C%10C2=O.C4(=O)C5.CC9C.S9%10.N27.C7%11.C83.N48.O56
|
C#CCO[C@@H](C)C(=O)NCC1=CCN(C(=O)[C@@H](C)Cn2ccc(C)n2)CC1
|
C#CCO[C@@H]C)C=O)NCC=CCNC=O)[C@@H]C)CncccC)n5))))))))CC6
|
[C][#C][C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][N][C][=C][C][Branch1][C][C][=N][Ring1][=Branch1][C][C][Ring1][P]
|
C7C1=CCN4CC1.C4(=O)[C@@H](C)C8.n18ccc(C)n1.[C@H]6(C)C3=O.C#CC5.O56.N37
|
CC=C(C)C(=O)N1CCC(CNC(=O)c2ncn3c2CCC3)(COC)CC1
|
CC=CC)C=O)NCCCCNC=O)cncnc5CCC5)))))))))))COC)))CC6
|
[C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][N][=C][N][C][=Ring1][Branch1][C][C][C][Ring1][Branch1][Branch1][Ring2][C][O][C][C][C][Ring2][Ring1][Branch1]
|
N14CCC%10%11CC1.c18ncn2c1CCC2.C=9(C)C4=O.C58=O.CC=9.C7%10.N57.C6%11.O6C
|
CC(C)[C@@H]1C[C@H]1C(=O)NCCC1(C(=O)Nc2ccc3ncnn3c2)CCCC1
|
CCC)[C@@H]C[C@H]3C=O)NCCCC=O)Nccccncnn5c9)))))))))))CCCC5
|
[C][C][Branch1][C][C][C@@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=N][N][Ring1][Branch1][C][=Ring1][=Branch2][C][C][C][C][Ring1][P]
|
c17ccc2ncnn2c1.C19%11CCCC1.[C@@H]1%10C[C@H]18.CC%10C.C48=O.C6C%11.C59=O.N46.N57
|
C=C=C(C)CC(=O)N1CC2(CNC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)CCC1CC2
|
C=C=CC)CC=O)NCCCNC=O)C[C@H]C[C@H]CC[C@H]6C5)))))))))))CCC6CC6
|
[C][=C][=C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][C][Ring1][Branch1][C][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][C]
|
N15CC28CCC1CC2.C=C=C(C)CC5=O.[C@H]19C[C@H]2CC[C@H]1C2.C6(=O)C9.C78.N67
|
Cc1ccn(C[C@H](C)C(=O)NCCN(C(=O)C[C@@H]2CCC(C)(C)CO2)C2CC2)n1
|
CcccnC[C@H]C)C=O)NCCNC=O)C[C@@H]CCCC)C)CO6))))))))CCC3))))))))))n5
|
[C][C][C][=C][N][Branch2][Ring2][=Branch2][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C@@H1][C][C][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2][C][C][C][Ring1][Ring1][N][=Ring2][Ring1][N]
|
[C@@H]19CCC(C)(C)CO1.Cc1ccn8n1.C8[C@H](C)C3=O.C4(=O)C9.C5C6.N467.C17CC1.N35
|
Cc1ccc([C@H](C)N=c2[nH]c(N3CCN(C)C4(CC4)C3)nc(=N)[nH]2)cc1C
|
Ccccc[C@H]C)N=c[nH]cNCCNC)CCC3))C6))))))nc=N)[nH]6))))))))cc6C
|
[C][C][=C][C][=C][Branch2][Ring2][Branch1][C@H1][Branch1][C][C][N][=C][NH1][C][Branch2][Ring1][C][N][C][C][N][Branch1][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][=Branch2][=N][C][=Branch1][C][=N][NH1][Ring1][S][C][=C][Ring2][Ring1][=Branch2][C]
|
[C@@H]6(C)N=c1[nH]c5nc(=N)[nH]1.N15CCN(C)C2(CC2)C1.Cc1ccc6cc1C
|
CCN1CC[C@H]1C(=O)NC[C@H](C)C(=O)Nc1c(C)nc(C)nc1C
|
CCNCC[C@H]4C=O)NC[C@H]C)C=O)NccC)ncC)nc6C
|
[C][C][N][C][C][C@H1][Ring1][Ring2][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][N][=C][Branch1][C][C][N][=C][Ring1][Branch2][C]
|
c16c(C)nc(C)nc1C.C5[C@H](C)C3=O.N14CC[C@H]17.C27=O.CC4.N25.N36
|
CC(C)(CN1CCN(C(=O)C2(C)CC(F)(F)C2)CC1)NC(=O)CN1CCOCC1
|
CCC)CNCCNC=O)CC)CCF)F)C4)))))CC6)))))))NC=O)CNCCOCC6
|
[C][C][Branch1][C][C][Branch2][Ring1][S][C][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][C][C][Ring1][#C][N][C][=Branch1][C][=O][C][N][C][C][O][C][C][Ring1][=Branch1]
|
N16CCN3CC1.C18(C)CC(F)(F)C1.N17CCOCC1.CC5(C)C6.C4(=O)C7.C38=O.N45
|
O=C(C[C@@H]1CN2CCC1CC2)NCCO[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C(F)F)C1
|
O=CC[C@@H]CNCCC6CC6)))))))))NCCO[C@@H]CCNC=O)[C@@H]C[C@@H]3CF)F))))))C5
|
[O][=C][Branch1][=C][C][C@@H1][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][N][C][C][O][C@@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@@H1][C][C@@H1][Ring1][Ring1][C][Branch1][C][F][F][C][Ring1][=N]
|
[C@@H]19CN2CCC1CC2.[C@@H]16CCN4C1.O=C3C9.[C@@H]18C[C@@H]1%10.C7C5.C48=O.C%10(F)F.N37.O56
|
COc1ccnc(Nc2ccc(C(=O)NNc3cc(Cl)ccc3[N+](=O)[O-])cc2)n1
|
COcccncNccccC=O)NNcccCl)ccc6[N+]=O)[O-])))))))))))cc6)))))))n6
|
[C][O][C][=C][C][=N][C][Branch2][Ring2][Ring2][N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][Ring2][=N][Ring2][Ring1][O]
|
C7(=O)NNc1cc(Cl)ccc1[N+](=O)[O-].c14ccnc5n1.c16ccc7cc1.CO4.N56
|
CC[C@]1(C(=O)NC[C@H](C)CC(=O)NC[C@H]2CCCN2C)CCC[C@@H]1O
|
CC[C@]C=O)NC[C@H]C)CC=O)NC[C@H]CCCN5C))))))))))))))CCC[C@@H]5O
|
[C][C][C@][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][N][Ring1][Branch1][C][C][C][C][C@@H1][Ring2][Ring1][=Branch1][O]
|
[C@]179CCC[C@@H]1O.C5[C@H](C)CC4=O.[C@H]18CCCN1C.C37=O.CC9.N35.N46.C68
|
CC1(C(=O)N2C[C@@H](NC(=O)[C@H]3CCCc4ccccc4C3)[C@H](C3CC3)C2)CCC1
|
CCC=O)NC[C@@H]NC=O)[C@H]CCCcccccc6C%11)))))))))))))[C@H]CCC3)))C5))))))CCC4
|
[C][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][=Branch1][C][C][C][Ring2][Ring1][N]
|
[C@H]19CCCc2ccccc2C1.N15C[C@@H]7[C@H](C2CC2)C1.CC18CCC1.C58=O.C69=O.N67
|
N#Cc1ncc(C(=O)N2CCN(C(=O)c3cnn4c3CCCC4)C[C@H]2CF)s1
|
N#CcnccC=O)NCCNC=O)ccnnc5CCCC6))))))))))C[C@H]6CF)))))))))s5
|
[N][#C][C][=N][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=N][N][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][C@H1][Ring1][P][C][F][S][Ring2][Ring1][#Branch2]
|
c18cnn2c1CCCC2.N15CCN6C[C@H]19.N#Cc1ncc7s1.C57=O.C68=O.C9F
|
C[C@H](O)CN(C[C@H](C)O)C(=O)C[C@H]1CCC[C@@H](NC(=O)C2CCCCCCC2)C1
|
C[C@H]O)CNC[C@H]C)O)))C=O)C[C@H]CCC[C@@H]NC=O)CCCCCCCC8))))))))))C6
|
[C][C@H1][Branch1][C][O][C][N][Branch1][#Branch1][C][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][C@H1][C][C][C][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][Ring1][Branch2][C][Ring1][P]
|
C18CCCCCCC1.[C@H]19CCC[C@@H]7C1.C[C@H](O)C5.C6[C@H](C)O.C3(=O)C9.N356.C48=O.N47
|
C[C@H](CN(C)C(=O)[C@H](C)NC(=O)C1CCC1)NC(=O)c1cncc2cnccc12
|
C[C@H]CNC)C=O)[C@H]C)NC=O)CCCC4))))))))))NC=O)ccncccnccc%106
|
[C][C@H1][Branch2][Ring1][=Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
c1%10cncc2cnccc12.C3(=O)[C@@H]8C.C[C@@H]6C7.C19CCC1.N37C.C49=O.C5%10=O.N48.N56
|
CC(=O)OCCC(=O)N1C[C@H]2CC[C@@]2(CNC(=O)[C@@H]2C[C@H](F)CN2C)C1
|
CC=O)OCCC=O)NC[C@H]CC[C@@]4CNC=O)[C@@H]C[C@H]F)CN5C)))))))))C7
|
[C][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C@@][Ring1][Ring2][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Branch1][C][F][C][N][Ring1][=Branch1][C][C][Ring2][Ring1][C]
|
N14C[C@H]2CC[C@@]29C1.[C@@H]18C[C@H](F)CN1C.C6CC4=O.CC3=O.C58=O.O36.C79.N57
|
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