SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
Cc1ccc(-c2cc(C(=O)N3CCC[C@H](CF)C3)n[nH]2)o1
|
Ccccc-cccC=O)NCCC[C@H]CF))C6)))))))n[nH]5)))))o5
|
[C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][Ring1][C][F][C][Ring1][Branch2][=N][NH1][Ring1][#C][O][Ring2][Ring1][Ring2]
|
N14CCC[C@H]6C1.Cc1ccc7o1.c17cc5n[nH]1.C45=O.C6F
|
Cc1c(C(=O)NCCCN(C)C(=O)c2cccc(C(N)=O)n2)ccc2n[nH]cc12
|
CccC=O)NCCCNC)C=O)cccccCN)=O))n6)))))))))))))cccn[nH]cc95
|
[C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][Ring1][=Branch2][C][=C][C][=N][NH1][C][=C][Ring2][Ring1][N][Ring1][Branch1]
|
Cc1c9ccc2n[nH]cc12.c17cccc8n1.C5CC6.C39=O.N46C.C47=O.C8(N)=O.N35
|
CC(=O)NCC(C)(C)C(=O)N[C@H]1CN(C(=O)CN(C)C(C)=O)CC1(C)C
|
CC=O)NCCC)C)C=O)N[C@H]CNC=O)CNC)CC)=O)))))CC5C)C
|
[C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][N][Branch1][C][C][C][Branch1][C][C][=O][C][C][Ring1][=N][Branch1][C][C][C]
|
[C@H]18CN4CC1(C)C.C6C(C)(C)C3=O.C4(=O)C7.CC2=O.N57C.C5(C)=O.N26.N38
|
CC(C)(C)CC[C@H](F)C(=O)NCc1ncc(C(=O)NC[C@H](CO)C2CC2)cn1
|
CCC)C)CC[C@H]F)C=O)NCcnccC=O)NC[C@H]CO))CCC3)))))))cn6
|
[C][C][Branch1][C][C][Branch1][C][C][C][C][C@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C@H1][Branch1][Ring1][C][O][C][C][C][Ring1][Ring1][C][=N][Ring1][S]
|
CC(C)(C)CC[C@H](F)C3=O.c18ncc7cn1.C6[C@@H]9CO.C47=O.C19CC1.N35.C58.N46
|
Cc1cc[nH]c1C(=O)N1C[C@H]2CN(C(=O)CC3COCCOC3)CC[C@H]2C1
|
Cccc[nH]c5C=O)NC[C@H]CNC=O)CCCOCCOC7)))))))))CC[C@H]6C9
|
[C][C][C][=C][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][O][C][C][O][C][Ring1][#Branch1][C][C][C@H1][Ring1][S][C][Ring2][Ring1][Ring1]
|
N14C[C@@H]2CCN5C[C@@H]2C1.C17COCCOC1.Cc1cc[nH]c16.C5(=O)C7.C46=O
|
CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)NC1CC(F)C1
|
CCNCcnccs5)C[C@@H]C)CC6)))))))))C=O)NCCCF)C4
|
[C][C][N][Branch2][Ring1][Ring2][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C@@H1][Branch1][C][C][C][C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][C][Ring1][Branch1]
|
c18nc2c(s1)C[C@@H](C)CC2.C17CC(F)C1.N356.C34=O.CC5.C68.N47
|
CC[C@H]1CCCC[C@H]1C(=O)NC[C@H]1C[C@](F)(CNC(=O)C2(COC)CCCC2)C1
|
CC[C@H]CCCC[C@H]6C=O)NC[C@H]C[C@]F)CNC=O)CCOC)))CCCC5))))))))C4
|
[C][C][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C@][Branch1][C][F][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][Ring2][C][O][C][C][C][C][C][Ring1][Branch2][C][Ring1][P]
|
[C@H]1%12CCCC[C@H]1%10.[C@H]1%13C[C@@]4(F)C1.C1%115CCCC1.C3%10=O.C6%11=O.CC%12.N38.C8%13.C94.N69.C75.O7C
|
COc1c(Br)cc(F)cc1CN[C@H]1C[C@H](C(=O)Nc2cccc3nc(O)oc23)C1
|
COccBr)ccF)cc6CN[C@H]C[C@H]C=O)NcccccncO)oc95)))))))))))C4
|
[C][O][C][=C][Branch1][C][Br][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][N][C@H1][C][C@H1][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][N][=C][Branch1][C][O][O][C][Ring1][#Branch2][=Ring1][=Branch1][C][Ring1][P]
|
c17cccc2nc(O)oc12.c15c%10cc(F)cc1Br.[C@H]18C[C@H]9C1.C49=O.CO5.C6%10.N68.N47
|
CCn1cc2ccc(C(=O)N3CCC[C@H](NC(=O)[C@H](C)C(C)(C)O)C3)cc2n1
|
CCncccccC=O)NCCC[C@H]NC=O)[C@H]C)CC)C)O)))))C6)))))))cc6n9
|
[C][C][N][C][=C][C][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#C][=C][C][Ring2][Ring1][#Branch1][=N][Ring2][Ring1][#Branch2]
|
n18cc2ccc7cc2n1.C5(=O)[C@H](C)C(C)(C)O.N14CCC[C@H]6C1.C47=O.CC8.N56
|
CC[C@H](CNC(=O)[C@H]1C[C@@H](N2CCOCC2)C1)NC(=O)[C@H](C)N1CCCCCC1
|
CC[C@H]CNC=O)[C@H]C[C@@H]NCCOCC6))))))C4)))))))NC=O)[C@H]C)NCCCCCC7
|
[C][C][C@H1][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][C][C][C][C][C][Ring1][#Branch1]
|
N17CCCCCC1.N18CCOCC1.CC[C@@H]5C6.[C@H]19C[C@@H]8C1.C4(=O)[C@@H]7C.C39=O.N36.N45
|
COC(=O)[C@@H]1CN([C@@H](C(=O)NCCSC)[C@@H]2C[C@H]2C2OCCO2)CC(=O)N1
|
COC=O)[C@@H]CN[C@@H]C=O)NCCSC))))))[C@@H]C[C@H]3COCCO5)))))))))CC=O)N6
|
[C][O][C][=Branch1][C][=O][C@@H1][C][N][Branch2][Ring1][=Branch2][C@@H1][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][S][C][C@@H1][C][C@H1][Ring1][Ring1][C][O][C][C][O][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1]
|
[C@@H]18CN5CC(=O)N1.[C@@H]59C4=O.C1%10OCCO1.[C@@H]19C[C@H]1%10.C38=O.C6C7.CO3.N46.S7C
|
CSC1=C(C(=O)N2CCC[C@H](NC(=O)[C@@H]3CCC34CCOCC4)CC2)CCCC1
|
CSC=CC=O)NCCC[C@H]NC=O)[C@@H]CCC4CCOCC6)))))))))))CC7))))))))CCCC6
|
[C][S][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][C][C][C][Ring1][Ring2][C][C][O][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1][C][C][C][C][Ring2][Ring1][O]
|
CSC1=C(C5=O)CCCC1.[C@@H]18CCC12CCOCC2.N15CCC[C@H]7CC1.C68=O.N67
|
CC1(C)OC(=O)C[C@H]1C(=O)NC[C@]1(C)CCCN(C(=O)COc2ccccc2)C1
|
CCC)OC=O)C[C@H]5C=O)NC[C@]C)CCCNC=O)COcccccc6)))))))))C6
|
[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P]
|
CC1(C)OC(=O)C[C@H]18.[C@@]19(C)CCCN4C1.c16ccccc1.C4(=O)C5.C38=O.N37.C79.O56
|
CCC1(CNC(=O)c2ccc(CNC(=O)C[C@H](C)CN(C)C)cc2)CC1
|
CCCCNC=O)ccccCNC=O)C[C@H]C)CNC)C))))))))cc6)))))))))CC3
|
[C][C][C][Branch2][Ring2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][P][C][C][Ring2][Ring1][Branch2]
|
c18ccc%11cc1.C4(=O)C[C@H](C)C7.C19%10CC1.C38=O.N7(C)C.CC9.C5%10.N35.C6%11.N46
|
CC[C@H](C(=O)NC12CC(NC(=O)[C@@H](F)n3ccnc3)(C1)C2)c1ccc(OC)cc1
|
CC[C@H]C=O)NCCCNC=O)[C@@H]F)nccnc5))))))))C4)C4))))))ccccOC))cc6
|
[C][C][C@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C@@H1][Branch1][C][F][N][C][=C][N][=C][Ring1][Branch1][Branch1][Ring2][C][Ring1][=C][C][Ring1][#C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
c1%10ccc6cc1.CC[C@@H]%10C4=O.C127CC8(C1)C2.C5(=O)[C@H]9F.n19ccnc1.N47.N58.O6C
|
C=CCO[C@H](C)C(=O)NC1[C@H]2COC[C@H]1CN(C(=O)COCC1(F)CC1)C2
|
C=CCO[C@H]C)C=O)NC[C@H]COC[C@H]6CNC=O)COCCF)CC3)))))))C8
|
[C][=C][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][O][C][C@H1][Ring1][=Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C][O][C][C][Branch1][C][F][C][C][Ring1][Ring2][C][Ring1][P]
|
C19[C@H]2COC[C@H]1CN4C2.[C@@H]6(C)C3=O.C4(=O)C7.C1%10(F)CC1.C=CC5.O56.N39.O78.C8%10
|
Cn1cc(CCNC(=O)[C@@H]2CCC[C@@H](NC(=O)c3cn4c(n3)CCC4)C2)nn1
|
CnccCCNC=O)[C@@H]CCC[C@@H]NC=O)ccncn5)CCC5)))))))))C6))))))))))nn5
|
[C][N][C][=C][Branch2][Ring2][=Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Ring1][=Branch1][C][Ring1][P][N][=N][Ring2][Ring1][O]
|
c19cn2c(n1)CCC2.[C@@H]1%10CCC[C@@H]8C1.Cn1cc%11nn1.C%11C7.C5%10=O.C69=O.N57.N68
|
Cc1ccc(C(=O)NC[C@@H]2[C@@H](C)CCN2C(=O)CN2CCSCC2)c(Cl)c1C
|
CccccC=O)NC[C@@H][C@@H]C)CCN5C=O)CNCCSCC6))))))))))))))))cCl)c6C
|
[C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C@@H1][C@@H1][Branch1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][C][S][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][#Branch2][C]
|
Cc1ccc7c(Cl)c1C.[C@@H]18[C@@H](C)CCN14.N16CCSCC1.C4(=O)C6.C37=O.N35.C58
|
COCCN(CCNC(=O)C=C(C)C(C)C)C(=O)/C=C/C1(C)COC1
|
COCCNCCNC=O)C=CC)CC)C))))))))C=O)/C=C/CC)COC4
|
[C][O][C][C][N][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][/C][=C][/C][Branch1][C][C][C][O][C][Ring1][Branch1]
|
C=9C1(C)COC1.C=8(C)C(C)C.C2(=O)C=8.C3(=O)C=9.C4C5.N356.C6C7.CO4.N27
|
CC(C)Cc1noc([C@H](C)NC(=O)[C@H]2[C@@H]3CN(c4ncc(Cl)cn4)C[C@@H]32)n1
|
CCC)Ccnoc[C@H]C)NC=O)[C@H][C@@H]CNcnccCl)cn6))))))C[C@@H]56)))))))))n5
|
[C][C][Branch1][C][C][C][C][=N][O][C][Branch2][Ring1][P][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C@@H1][C][N][Branch1][N][C][=N][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][C@@H1][Ring1][N][Ring1][=N][=N][Ring2][Ring1][#Branch1]
|
[C@@H]18[C@H]2CN7C[C@@H]12.c17ncc(Cl)cn1.c19noc%10n1.CC(C)C9.[C@@H]6%10C.C58=O.N56
|
COCC1(NC(=O)CN2CCCCCC2)CCN(C(=O)c2nscc2N)CC1
|
COCCNC=O)CNCCCCCC7))))))))))CCNC=O)cnscc5N)))))))CC6
|
[C][O][C][C][Branch1][S][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][C][Ring1][#Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=N][S][C][=C][Ring1][Branch1][N][C][C][Ring2][Ring1][=Branch2]
|
C169CCN4CC1.N17CCCCCC1.c18nscc1N.C3(=O)C7.C48=O.CO5.C59.N36
|
CCC1=C(C(=O)N(CCCNC(=O)[C@@H]2CCCN(C)C2)C2CC2)SCCO1
|
CCC=CC=O)NCCCNC=O)[C@@H]CCCNC)C6)))))))))))CCC3)))))SCCO6
|
[C][C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][C][C][C][Ring1][Ring1][S][C][C][O][Ring2][Ring1][=Branch2]
|
CCC1=C(C3=O)SCCO1.[C@@H]18CCCN(C)C1.C5CC6.N357.C48=O.C17CC1.N46
|
CC(C)(C)n1cc(CC(=O)N[C@@H]2C=C[C@H](CNC(=O)CC[C@H]3CCCO3)C2)cn1
|
CCC)C)nccCC=O)N[C@@H]C=C[C@H]CNC=O)CC[C@H]CCCO5))))))))))C5))))))))cn5
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C@@H1][C][=C][C@H1][Branch1][S][C][N][C][=Branch1][C][=O][C][C][C@H1][C][C][C][O][Ring1][Branch1][C][Ring1][S][C][=N][Ring2][Ring1][=Branch2]
|
n18cc%11cn1.[C@@H]17C=C[C@H]%10C1.C5(=O)CC9.[C@H]19CCCO1.CC8(C)C.C%11C4=O.N47.C6%10.N56
|
CC(C)[C@H](O)CC(=O)N[C@@H]1CCS(=O)(=O)C12CN(C(=O)CCNC(=O)C=CCl)C2
|
CCC)[C@H]O)CC=O)N[C@@H]CCS=O)=O)C5CNC=O)CCNC=O)C=CCl))))))))C4
|
[C][C][Branch1][C][C][C@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C@@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][Cl][C][Ring1][=C]
|
[C@@H]17CCS(=O)(=O)C12CN4C2.CC(C)[C@H](O)CC3=O.C4(=O)CC6.C5(=O)C=CCl.N37.N56
|
CC[C@@H]1CN(C(=O)Cc2cccc3ccccc23)CC[C@H]1NC(=O)c1cc[nH]c1
|
CC[C@@H]CNC=O)Ccccccccccc%106))))))))))))CC[C@H]6NC=O)ccc[nH]c5
|
[C][C][C@@H1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C@H1][Ring2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][NH1][C][=Ring1][Branch1]
|
c19cccc2ccccc12.[C@@H]18CN4CC[C@H]16.c17cc[nH]c1.C4(=O)C9.C57=O.CC8.N56
|
CC1=C(C(=O)N[C@@H]2C[C@H](C(=O)N3CC[C@](C)(C#N)C3)C2(C)C)CCC1
|
CC=CC=O)N[C@@H]C[C@H]C=O)NCC[C@]C)C#N))C5))))))C4C)C)))))))CCC5
|
[C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@@H1][C][C@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][C][Branch1][Ring1][C][#N][C][Ring1][Branch2][C][Ring1][=C][Branch1][C][C][C][C][C][C][Ring2][Ring1][Branch2]
|
CC1=C(C4=O)CCC1.N15CC[C@](C)(C#N)C1.[C@@H]16C[C@H]7C1(C)C.C57=O.N46
|
COc1ccc([C@@H]2CCCN2C[C@H]2CS(=O)(=O)c3ccccc32)nc1
|
COcccc[C@@H]CCCN5C[C@H]CS=O)=O)cccccc69)))))))))))))))nc6
|
[C][O][C][=C][C][=C][Branch2][Ring1][N][C@@H1][C][C][C][N][Ring1][Branch1][C][C@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][=C][Ring2][Ring1][#Branch1]
|
C5[C@H]1CS(=O)(=O)c2ccccc21.c14ccc6nc1.[C@@H]16CCCN15.CO4
|
CNC(=O)C(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)[C@@H](O)C1CCC1
|
CNC=O)CC)C)C=O)NC[C@H]CCCCN6C=O)[C@@H]O)CCCC4
|
[C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][C][C][Ring1][Ring2]
|
C2(=O)C(C)(C)C3=O.[C@H]16CCCCN14.C4(=O)[C@H]7O.C17CCC1.CN2.N35.C56
|
COc1ccc([C@@H]2C[C@H]2C(=O)N2CC=C[C@H](NC(=O)Cc3nonc3C)C2)cc1
|
COcccc[C@@H]C[C@H]3C=O)NCC=C[C@H]NC=O)Ccnonc5C)))))))))C6))))))))))cc6
|
[C][O][C][=C][C][=C][Branch2][Ring2][C][C@@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][=N][O][N][=C][Ring1][Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][O]
|
c16ccc%10cc1.N14CC=C[C@H]7C1.c19nonc1C.[C@@H]1%10C[C@H]18.C5(=O)C9.C48=O.CO6.N57
|
CC(=CC(C)(C)C)C(=O)N1CSC[C@H]1C(=O)NC1CCC2(CCC2)CC1
|
CC=CCC)C)C)))C=O)NCSC[C@H]5C=O)NCCCCCCC4)))CC6
|
[C][C][=Branch1][#Branch2][=C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][S][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][C][Ring1][=Branch2]
|
C15CCC2(CCC2)CC1.N13CSC[C@H]16.CC=7C3=O.C=7C(C)(C)C.C46=O.N45
|
CNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)CCC(C)(C)C
|
CNC=O)N[C@@H]C)C=O)NC[C@@H]C[C@H]5[C@@H]4CNC=O)CCCC)C)C
|
[C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Ring1][Branch1][C@@H1][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][C]
|
C6(=O)CCC(C)(C)C.N15C[C@@H]2C[C@H]1[C@@H]29.[C@H]7(C)C5=O.C34=O.CN3.N47.C89.N68
|
CC(C)CCSCC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)[C@H]2OCC[C@H]2C)CC1
|
CCC)CCSCC=O)NCCC[C@@H]C[C@H]3NC=O)[C@H]OCC[C@H]5C)))))))))))CC6
|
[C][C][Branch1][C][C][C][C][S][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][C@@H1][C][C@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C@H1][O][C][C][C@H1][Ring1][Branch1][C][C][C][Ring2][Ring1][C]
|
N13CCC([C@@H]2C[C@H]27)CC1.[C@H]18OCC[C@H]1C.CC(C)CC5.C6C3=O.C48=O.S56.N47
|
Cc1cc(Br)oc1C(=O)NC[C@@](C)(NC(=O)c1cc(C2(C)CC2)n[nH]1)C1CC1
|
CcccBr)oc5C=O)NC[C@@]C)NC=O)cccCC)CC3)))n[nH]5)))))))CCC3
|
[C][C][C][=C][Branch1][C][Br][O][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][C][C][Ring1][Ring2][=N][NH1][Ring1][=Branch2][C][C][C][Ring1][Ring1]
|
Cc1cc(Br)oc17.c18cc%10n[nH]1.C5[C@@]69C.C1%10(C)CC1.C37=O.C48=O.C19CC1.N35.N46
|
CO[C@@H](C)c1nc(C)c(C(=O)NCCCOCCNC(=O)C(F)(F)CN(C)C)s1
|
CO[C@@H]C)cncC)cC=O)NCCCOCCNC=O)CF)F)CNC)C))))))))))))))s5
|
[C][O][C@@H1][Branch1][C][C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][O][C][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][N][Branch1][C][C][C][S][Ring2][Ring1][=Branch2]
|
c13nc(C)c%11s1.C4(=O)C(F)(F)C%10.C8CC6.[C@@H]53C.C2%11=O.C7C9.N%10(C)C.CO5.N28.O67.N49
|
CC(C)n1cncc1C(=O)N[C@@H](CO)C1CCN(C(=O)CC[C@H]2CC2(C)C)CC1
|
CCC)ncncc5C=O)N[C@@H]CO))CCCNC=O)CC[C@H]CC3C)C)))))))CC6
|
[C][C][Branch1][C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C@H1][C][C][Ring1][Ring1][Branch1][C][C][C][C][C][Ring1][#C]
|
C18CCN4CC1.n17cncc16.C4(=O)CC9.[C@H]19CC1(C)C.[C@@H]58CO.CC7C.C36=O.N35
|
CNC1(C(=O)NCCc2ccc(Br)cc2C(F)(F)F)CC1
|
CNCC=O)NCCccccBr)cc6CF)F)F))))))))))))CC3
|
[C][N][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring2][Ring1][Ring1]
|
c17ccc(Br)cc18.C146CC1.C8(F)(F)F.C36=O.C5C7.CN4.N35
|
CCN(C(=O)[C@@H]1CN(C(=O)COc2cnn(C)c2)CC1(F)F)[C@H](C)C(=O)OC
|
CCNC=O)[C@@H]CNC=O)COccnnC)c5))))))))CC5F)F)))))))[C@H]C)C=O)OC
|
[C][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][Ring1][#C][Branch1][C][F][F][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][C]
|
[C@@H]1%10CN5CC1(F)F.c17cnn(C)c1.[C@@H]9(C)C3=O.C5(=O)C6.N489.C4%10=O.CC8.O67.O3C
|
CCCSc1n[nH]c(=NC(=O)N(C)[C@H](C)[C@@H]2CCCO2)s1
|
CCCScn[nH]c=NC=O)NC)[C@H]C)[C@@H]CCCO5)))))))))s5
|
[C][C][C][S][C][=N][NH1][C][=Branch2][Ring1][Branch1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch1][C][C][C@@H1][C][C][C][O][Ring1][Branch1][S][Ring1][P]
|
c17n[nH]c(=NC3=O)s1.[C@@H]16CCCO1.CCC5.N34C.[C@H]46C.S57
|
CCNC(=O)CNC(=NCCS(=O)(=O)NCC)N[C@H]1C[C@H]1C
|
CCNC=O)CNC=NCCS=O)=O)NCC)))))))N[C@H]C[C@H]3C
|
[C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][=C][=N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C@H1][C][C@H1][Ring1][Ring1][C]
|
N4C(=NCCS6(=O)=O)N7.C2(=O)C4.[C@H]17C[C@H]1C.CC3.N23.N56.C5C
|
Cc1ccccc1NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@]1(C)CCCC[C@@H]1C
|
Ccccccc6NC=O)[C@@H]C[C@@H]C[C@@H]3N6C=O)[C@@]C)CCCC[C@@H]6C
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][C@@H1][Ring1][Ring1][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C][C][C@@H1][Ring1][#Branch1][C]
|
[C@]17(C)CCCC[C@@H]1C.Cc1ccccc15.[C@@H]16C[C@@H]2C[C@@H]2N14.C36=O.C47=O.N35
|
COCC(C)(C)C(=O)N1CC([C@H](C)NC(=O)c2ocnc2C)C1
|
COCCC)C)C=O)NCC[C@H]C)NC=O)cocnc5C)))))))))C4
|
[C][O][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][=N][C][=Ring1][Branch1][C][C][Ring1][#C]
|
C5C(C)(C)C3=O.c17ocnc1C.N13CC8C1.[C@@H]68C.C47=O.CO5.N46
|
CC(C)(C)OC(=O)C1(C(=O)N[C@H]2[C@@H]3CN(C(=O)[C@@H]4Cc5nccn5C4)C[C@@H]32)CC1
|
CCC)C)OC=O)CC=O)N[C@H][C@@H]CNC=O)[C@@H]Ccnccn5C8)))))))))C[C@@H]56))))))))CC3
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@H1][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C@@H1][C][C][=N][C][=C][N][Ring1][Branch1][C][Ring1][Branch2][C][C@@H1][Ring1][#C][Ring1][S][C][C][Ring2][Ring1][=Branch1]
|
[C@@H]1%13Cc2nccn2C1.[C@@H]1%10[C@H]2CN8C[C@@H]12.CC9(C)C.C1%11%12CC1.C6%11=O.C7%12=O.C8%13=O.O69.N7%10
|
CC[C@H](CNC(=O)[C@@H]1CO[C@H](C)C1)NC(=O)Cc1cccc(O)c1
|
CC[C@H]CNC=O)[C@@H]CO[C@H]C)C5))))))))NC=O)CcccccO)c6
|
[C][C][C@H1][Branch1][P][C][N][C][=Branch1][C][=O][C@@H1][C][O][C@H1][Branch1][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]
|
c17cccc(O)c1.[C@@H]16CO[C@H](C)C1.CC[C@@H]4C5.C3(=O)C7.C26=O.N25.N34
|
COCCC[C@H](NC(=O)[C@H]1COCCO1)C(=O)N(C)C[C@@H](O)C1CCCC1
|
COCCC[C@H]NC=O)[C@H]COCCO6))))))))C=O)NC)C[C@@H]O)CCCCC5
|
[C][O][C][C][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C@H1][C][O][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][Branch1][C][O][C][C][C][C][C][Ring1][Branch1]
|
C4CC[C@H]5C3=O.[C@H]17COCCO1.C18CCCC1.C6[C@H]8O.C27=O.N36C.CO4.N25
|
CCCN(C)CC(=O)N1CCC[C@@](C)(NC(=O)[C@H]2CCC(=O)N(C)C2)C1
|
CCCNC)CC=O)NCCC[C@@]C)NC=O)[C@H]CCC=O)NC)C6))))))))C6
|
[C][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@@][Branch1][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@H1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][Branch2][C][Ring2][Ring1][C]
|
N13CCC[C@]7(C)C1.[C@H]18CCC(=O)N(C)C1.C6C3=O.CCC5.N56C.C48=O.N47
|
CC(C)c1nnc([C@H](C(=O)NC2CCC2)N2CC3(CCOCC3)[C@@H]2C2CC2)s1
|
CCC)cnnc[C@H]C=O)NCCCC4))))))NCCCCOCC6)))))[C@@H]4CCC3))))))))s5
|
[C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring2][Ring1][C@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring2][N][C][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C@@H1][Ring1][=Branch2][C][C][C][Ring1][Ring1][S][Ring2][Ring1][=Branch2]
|
N15CC2(CCOCC2)[C@@H]19.c17nnc8s1.[C@@H]58C4=O.C16CCC1.CC7C.C19CC1.N46
|
CC[C@H](C(=O)N(C)[C@@H]1CN(C(=O)c2cc(Cl)ns2)CC12CC2)C1CCOCC1
|
CC[C@H]C=O)NC)[C@@H]CNC=O)cccCl)ns5))))))CC5CC3)))))))))CCCOCC6
|
[C][C][C@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=N][S][Ring1][=Branch1][C][C][Ring1][=N][C][C][Ring1][Ring1][C][C][C][O][C][C][Ring1][=Branch1]
|
[C@@H]15CN4CC12CC2.CC[C@@H]7C3=O.c16cc(Cl)ns1.C17CCOCC1.N35C.C46=O
|
Cc1cc(C(=O)NC2(C3CCN(CCOc4ccccc4)CC3)CC2)nn1C
|
CcccC=O)NCCCCNCCOcccccc6)))))))))CC6))))))CC3)))))nn5C
|
[C][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][C][C][Ring2][Ring1][C][=N][N][Ring2][Ring1][#Branch2][C]
|
C18(C2CCN9CC2)CC1.Cc1cc%10nn1C.c17ccccc1.C5%10=O.C9C6.N58.O67
|
C[C@H]1C(C(=O)N2CC[C@H]3C[C@@]3(C(=O)NC3(CO)CC(O)C3)CC2)[C@@H]1C
|
C[C@H]CC=O)NCC[C@H]C[C@@]3C=O)NCCO))CCO)C4))))))CC8)))))))))[C@@H]3C
|
[C][C@H1][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C@H1][C][C@@][Ring1][Ring1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][C][Branch1][C][O][C][Ring1][#Branch1][C][C][Ring2][Ring1][C][C@@H1][Ring2][Ring1][#Branch1][C]
|
N14CC[C@H]2C[C@@]28CC1.C169CC(O)C1.C[C@H]1C7[C@@H]1C.C47=O.C58=O.N56.C9O
|
Cc1nonc1C(=O)N(C1CC1)[C@@H](C)C(=O)NC[C@]1(C)CCN(C)C1
|
Ccnonc5C=O)NCCC3)))[C@@H]C)C=O)NC[C@]C)CCNC)C5
|
[C][C][=N][O][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1]
|
[C@@]18(C)CCN(C)C1.Cc1nonc17.[C@H]4(C)C3=O.C27=O.N246.C16CC1.N35.C58
|
CO[C@@H](F)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1CNC(=O)c1sccc1Cl
|
CO[C@@H]F)C=O)N[C@@H]CC[C@@H]C5)[C@H]6CNC=O)csccc5Cl
|
[C][O][C@@H1][Branch1][C][F][C][=Branch1][C][=O][N][C@@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][Cl]
|
N13[C@@H]2CC[C@@H](C2)[C@H]18.c17sccc1Cl.[C@H]5(F)C3=O.C47=O.CO5.C68.N46
|
C[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CC=CC2)C1
|
C[C@@H]Ccccccc6)))))))C=O)NC[C@@H]O)[C@H]NC=O)CNCC=CC5))))))))C5
|
[C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][N][C][C][=C][C][Ring1][Branch1][C][Ring1][#C]
|
N13C[C@@H]6[C@H](O)C1.C[C@@H](C7)C3=O.c17ccccc1.N15CC=CC1.C4(=O)C5.N46
|
Cc1csc(C(=O)N2C[C@@H]3C[C@H]2[C@@H]3CNC(=O)c2ccc(OC(F)F)cc2)c1C
|
CccscC=O)NC[C@@H]C[C@H]5[C@@H]4CNC=O)ccccOCF)F)))cc6))))))))))))))))c5C
|
[C][C][=C][S][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Ring1][Branch1][C@@H1][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][O][C]
|
Cc1csc8c1C.N14C[C@@H]2C[C@H]1[C@@H]2%10.c19ccc6cc1.O6C(F)F.C48=O.C59=O.C7%10.N57
|
CSCC(=O)N1C[C@H](CNC(=O)CCN(C)C2CCCCCC2)[C@H]2C[C@@H]21
|
CSCC=O)NC[C@H]CNC=O)CCNC)CCCCCCC7)))))))))))))[C@H]C[C@@H]36
|
[C][S][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][C][C][C][C][C][C][Ring1][#Branch1][C@H1][C][C@@H1][Ring1][Ring1][Ring2][Ring1][Branch1]
|
N13C[C@H]9[C@H]2C[C@@H]21.C18CCCCCC1.C4(=O)CC6.C7C3=O.N68C.CS7.C59.N45
|
Cc1ccoc1C(=O)NCCC(C)(C)NC(=O)c1cc2c(cc1Cl)OCCO2
|
Ccccoc5C=O)NCCCC)C)NC=O)cccccc6Cl)))OCCO6
|
[C][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][O][C][C][O][Ring1][=Branch2]
|
c18cc2c(cc1Cl)OCCO2.Cc1ccoc17.C5CC6(C)C.C37=O.C48=O.N35.N46
|
CC12CCC(CC1)CN2CCOCC(F)(F)F
|
CCCCCCC6))CN6CCOCCF)F)F
|
[C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Ring1][Branch2][C][C][O][C][C][Branch1][C][F][Branch1][C][F][F]
|
CC12CCC(CC1)CN25.C4C(F)(F)F.C5C3.O34
|
COC(=O)c1cc(N2C[C@H](C)CN(C(=O)[C@@](C)(O)C(C)C)C[C@@H]2C)nc(C)n1
|
COC=O)cccNC[C@H]C)CNC=O)[C@@]C)O)CC)C))))C[C@@H]7C))))))))ncC)n6
|
[C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][S][N][C][C@H1][Branch1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][C][O][C][Branch1][C][C][C][C][C@@H1][Ring1][S][C][=N][C][Branch1][C][C][=N][Ring2][Ring1][Branch2]
|
N15C[C@H](C)CN4C[C@@H]1C.c16cc5nc(C)n1.C4(=O)[C@@](C)(O)C(C)C.C36=O.CO3
|
C=C(C)CN(C)C(=O)[C@]1(N=[N+]=[N-])CCN(C(=O)[C@@H]2CCCS[C@@H]2C)C1
|
C=CC)CNC)C=O)[C@]N=[N+]=[N-])))CCNC=O)[C@@H]CCCS[C@@H]6C))))))))C5
|
[C][=C][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@][Branch1][Ring2][N][=N+1][=N-1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C@@H1][C][C][C][S][C@@H1][Ring1][=Branch1][C][C][Ring1][P]
|
[C@@]16(N=[N+]=[N-])CCN4C1.[C@@H]17CCCS[C@@H]1C.C=C(C)C5.N35C.C36=O.C47=O
|
CSC=CC(=O)N1CCC[C@]12CCN(C(=O)c1ccccc1C(C)(F)F)C2
|
CSC=CC=O)NCCC[C@]5CCNC=O)cccccc6CC)F)F)))))))))C5
|
[C][S][C][=C][C][=Branch1][C][=O][N][C][C][C][C@][Ring1][Branch1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][F][F][C][Ring1][P]
|
N13CCC[C@]12CCN4C2.c15ccccc16.CSC=CC3=O.C6(C)(F)F.C45=O
|
CCCn1cccc1C(=O)NC(C)(C)CCNC(=O)c1ccc(OCCF)cc1
|
CCCncccc5C=O)NCC)C)CCNC=O)ccccOCCF))))cc6
|
[C][C][C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][O][C][C][F][C][=C][Ring1][#Branch2]
|
c19ccc5cc1.n1%10cccc18.C6(C)(C)CC7.CCC%10.C28=O.C39=O.C4CF.N26.N37.O45
|
C#Cc1cccc(OCC(=O)N2C[C@H](NC(=O)c3cc(Cl)cn3C)C(C)(C)C2)c1
|
C#CcccccOCC=O)NC[C@H]NC=O)cccCl)cn5C))))))))CC)C)C5))))))))c6
|
[C][#C][C][=C][C][=C][C][Branch2][Ring2][=Branch1][O][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][N][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][P][=C][Ring2][Ring1][O]
|
C#Cc1cccc7c1.N14C[C@H]8C(C)(C)C1.c19cc(Cl)cn1C.C6C4=O.C59=O.O67.N58
|
CCc1ncncc1C(=O)NC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CS(=O)(=O)NC1CC1
|
CCcncncc6C=O)NC[C@@H]C[C@H]CC[C@@H]6N5C=O)CS=O)=O)NCCC3
|
[C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][N][Ring1][Branch1][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Ring1][Ring1]
|
[C@@H]1%10C[C@H]2CC[C@@H]1N24.c19ncncc18.C4(=O)CS6(=O)=O.C38=O.C17CC1.CC9.N35.C5%10.N67
|
CC/C=C(\F)C(=O)N[C@H]1CCO[C@H](CNC(=O)C[C@H]2COC(=O)N2)C1
|
CC/C=C\F)C=O)N[C@H]CCO[C@H]CNC=O)C[C@H]COC=O)N5)))))))))C6
|
[C][C][/C][=C][Branch1][C][\F][C][=Branch1][C][=O][N][C@H1][C][C][O][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C@H1][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][Ring1][P]
|
[C@H]16CCO[C@H]8C1.[C@H]19COC(=O)N1.C=7(F)C3=O.C4(=O)C9.CCC=7.N36.C58.N45
|
O=C(Cc1nc2c([nH]1)CCCC2)N[C@@H]1COC[C@@H]1CNC(=O)[C@H]1C[C@H]1F
|
O=CCcncc[nH]5)CCCC6)))))))))N[C@@H]COC[C@@H]5CNC=O)[C@H]C[C@H]3F
|
[O][=C][Branch1][P][C][C][=N][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][N][C@@H1][C][O][C][C@@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@H1][C][C@H1][Ring1][Ring1][F]
|
c18nc2c([nH]1)CCCC2.[C@@H]16COC[C@@H]19.O=C3C8.[C@H]17C[C@H]1F.C47=O.N36.C59.N45
|
CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCN(C(=O)c2cn(C(C)C)cn2)C1
|
CC=O)NC)CC=O)NCCCC[C@@H]6[C@H]CCNC=O)ccnCC)C))cn5))))))C5
|
[C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=N][Ring1][Branch2][C][Ring1][#C]
|
N14CCCC[C@@H]19.[C@H]19CCN5C1.c17cn8cn1.C6C4=O.CC3=O.N36C.C57=O.C8(C)C
|
CCCNC(=O)CCC(=O)N1C[C@H]2COC[C@@]2(C(=O)N[C@]2(C)CC=CCC2)C1
|
CCCNC=O)CCC=O)NC[C@H]COC[C@@]5C=O)N[C@]C)CC=CCC6))))))))C8
|
[C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C@H1][C][O][C][C@@][Ring1][Branch1][Branch1][P][C][=Branch1][C][=O][N][C@][Branch1][C][C][C][C][=C][C][C][Ring1][#Branch1][C][Ring2][Ring1][C]
|
N14C[C@H]2COC[C@@]28C1.C3(=O)CCC4=O.[C@@]17(C)CC=CCC1.CCC6.C58=O.N36.N57
|
CC[C@@H](NC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)o3)C2)C1
|
CC[C@@H]NCN)=O)))C=O)NCCO[C@@]CCNC=O)ccccCN)=O))o5))))))C5))))C6
|
[C][C][C@@H1][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][O][C@@][Branch2][Ring1][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][O][Ring1][Branch2][C][Ring1][#C][C][Ring2][Ring1][Ring2]
|
N15CCO[C@@]2(CCN6C2)C1.CC[C@@H]7C5=O.c18ccc9o1.C4(N)=O.C68=O.C9(N)=O.N47
|
CC1=C(C(=O)N2CC[C@@](O)(CN(C)C(=O)C3=NO[C@@H]4COC[C@H]34)C2)CCC1
|
CC=CC=O)NCC[C@@]O)CNC)C=O)C=NO[C@@H]COC[C@H]85)))))))))))C5))))))CCC5
|
[C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C@@][Branch1][C][O][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=N][O][C@@H1][C][O][C][C@H1][Ring1][Branch2][Ring1][Branch1][C][Ring2][Ring1][Ring1][C][C][C][Ring2][Ring1][#Branch2]
|
C6(=O)C1=NO[C@@H]2COC[C@H]12.CC1=C(C5=O)CCC1.N15CC[C@]8(O)C1.N67C.C78
|
C[C@@H](C(=O)NC[C@]1(F)CCCN(C(=O)[C@H](C)N(C)C)C1)c1cnn(C)c1
|
C[C@@H]C=O)NC[C@]F)CCCNC=O)[C@H]C)NC)C))))C6)))))))))ccnnC)c5
|
[C][C@@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@][Branch1][C][F][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][Branch1][C][C][C][C][Ring1][=C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1]
|
[C@@]16(F)CCCN3C1.c17cnn(C)c1.C[C@H]7C2=O.C3(=O)[C@@H]5C.N5(C)C.N24.C46
|
C[C@H](C(=O)N1C[C@@H](n2cc(C[C@H]3CCCCO3)nn2)CO1)c1ccccc1Cl
|
C[C@H]C=O)NC[C@@H]nccC[C@H]CCCCO6)))))))nn5)))))CO5))))))cccccc6Cl
|
[C][C@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][Ring1][N][C][=C][Branch1][#Branch2][C][C@H1][C][C][C][C][O][Ring1][=Branch1][N][=N][Ring1][N][C][O][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
|
C[C@@H]6C(=O)N1C[C@@H]7CO1.c16ccccc1Cl.n17cc5nn1.[C@H]14CCCCO1.C45
|
COCc1nc(Cl)cc(=NC[C@H]2CCCCN2C(=O)[C@H]2CC3CCC2CC3)[nH]1
|
COCcncCl)cc=NC[C@H]CCCCN6C=O)[C@H]CCCCC6CC6)))))))))))))))))[nH]6
|
[C][O][C][C][=N][C][Branch1][C][Cl][=C][C][=Branch2][Ring1][O][=N][C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][NH1][Ring2][Ring1][=Branch2]
|
c18nc(Cl)cc(=NC7)[nH]1.[C@H]16CC2CCC1CC2.[C@H]17CCCCN14.C46=O.CO5.C58
|
COc1cc(F)c(Cl)cc1C(=O)NC[C@H](C)NC(=O)c1ccsc1SC
|
COcccF)cCl)cc6C=O)NC[C@H]C)NC=O)cccsc5SC
|
[C][O][C][=C][C][Branch1][C][F][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][S][C]
|
c14cc(F)c(Cl)cc17.c18ccsc19.C5[C@@H]6C.C27=O.C38=O.CO4.N25.N36.S9C
|
C[C@]1(CN2CCC(=O)N(CCn3cc(Cl)cn3)C2=O)CCCC1(F)F
|
C[C@]CNCCC=O)NCCnccCl)cn5)))))))C6=O))))))))CCCC5F)F
|
[C][C@][Branch2][Ring1][N][C][N][C][C][C][=Branch1][C][=O][N][Branch1][=N][C][C][N][C][=C][Branch1][C][Cl][C][=N][Ring1][=Branch1][C][Ring1][#C][=O][C][C][C][C][Ring2][Ring1][=Branch1][Branch1][C][F][F]
|
N15CCC(=O)N6C1=O.C[C@]17CCCC1(F)F.n14cc(Cl)cn1.C6C4.C57
|
Cc1cncc(C(=O)NC[C@@]23CC[C@@H](C[C@H]2NC(=O)c2ccc(O)nc2C)C3)n1
|
CccnccC=O)NC[C@@]CC[C@@H]C[C@H]6NC=O)ccccO)nc6C)))))))))))C5))))))))n6
|
[C][C][=C][N][=C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@@][C][C][C@@H1][Branch2][Ring1][=Branch1][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][N][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C][=N][Ring2][Ring1][N]
|
[C@@]12%10CC[C@@H](C[C@H]17)C2.c19ccc(O)nc1C.Cc1cncc8n1.C48=O.C59=O.N46.C6%10.N57
|
CC[C@H](C)C(=O)NC[C@H](C(=O)N1C[C@H](O)C[C@]1(C)CO)N(C)C
|
CC[C@H]C)C=O)NC[C@H]C=O)NC[C@H]O)C[C@]5C)CO))))))))NC)C
|
[C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@][Ring1][=Branch1][Branch1][C][C][C][O][N][Branch1][C][C][C]
|
N13C[C@H](O)C[C@@]16C.CC[C@H](C)C2=O.C4[C@@H]5C3=O.N5(C)C.N24.C6O
|
C#CC[C@H](CC(=O)OC)NC(=O)[C@H]1CCN(C(=O)c2ccc(F)c(O)c2)C[C@H]1O
|
C#CC[C@H]CC=O)OC))))NC=O)[C@H]CCNC=O)ccccF)cO)c6)))))))C[C@H]6O
|
[C][#C][C][C@H1][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][N][C][=Branch1][C][=O][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][Branch2][C][C@H1][Ring1][S][O]
|
C#CC[C@@H]6CC3=O.[C@H]17CCN5C[C@H]1O.c18ccc(F)c(O)c1.C47=O.C58=O.O3C.N46
|
CN(Cc1ccccc1F)c1ccc(S(=O)(=O)NC[C@H]2CCC(=O)NC2)c(Br)c1
|
CNCcccccc6F))))))))ccccS=O)=O)NC[C@H]CCC=O)NC6)))))))))cBr)c6
|
[C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@H1][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][C][Branch1][C][Br][=C][Ring2][Ring1][Ring1]
|
c16ccc(S5(=O)=O)c(Br)c1.c18ccccc1F.[C@H]17CCC(=O)NC1.CN36.C38.N45.C47
|
Cc1csc(C(F)(F)C(=O)NC[C@]2(F)C[C@H](CNC(=O)[C@H](C)CC(N)=O)C2)n1
|
CccscCF)F)C=O)NC[C@]F)C[C@H]CNC=O)[C@H]C)CCN)=O)))))))C4))))))))n5
|
[C][C][=C][S][C][Branch2][Ring2][=Branch2][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][C][C@][Branch1][C][F][C][C@H1][Branch1][P][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C][Branch1][C][N][=O][C][Ring1][#C][=N][Ring2][Ring1][O]
|
C4(=O)[C@H](C)CC(N)=O.Cc1csc7n1.C7(F)(F)C3=O.[C@]18(F)C[C@@H]9C1.N35.C58.C69.N46
|
C[C@H](C#N)C(=O)N[C@@H](CO)CNC(=O)C1CCC2(CC1)CC(O)C2
|
C[C@H]C#N))C=O)N[C@@H]CO))CNC=O)CCCCCC6))CCO)C4
|
[C][C@H1][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Branch1][C][O][C][Ring1][#Branch1]
|
C17CCC2(CC1)CC(O)C2.C[C@H](C#N)C3=O.[C@@H]5(C6)CO.C47=O.N35.N46
|
C[C@H](NC(=O)c1nccc(Cl)c1Cl)C(C)(C)NC(=O)Cc1cccc(F)c1
|
C[C@H]NC=O)cncccCl)c6Cl)))))))))CC)C)NC=O)CcccccF)c6
|
[C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]
|
c16nccc(Cl)c1Cl.c17cccc(F)c1.C[C@H]4C5(C)C.C3(=O)C7.C26=O.N24.N35
|
CCc1[nH]ccc1C(=O)N1CC[C@H](C(=O)NCc2cccc(F)n2)C12CC2
|
CCc[nH]ccc5C=O)NCC[C@H]C=O)NCcccccF)n6)))))))))C5CC3
|
[C][C][C][NH1][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1][C][Ring1][S][C][C][Ring1][Ring1]
|
N13CC[C@H]6C12CC2.c19cccc(F)n1.c18[nH]ccc17.C37=O.C46=O.CC8.N45.C59
|
[N-]=[N+]=NC1(C(=O)NC[C@@H]2CN(C(=O)c3ncnc(O)c3F)CCO2)CCOCC1
|
[N-]=[N+]=NCC=O)NC[C@@H]CNC=O)cncncO)c6F))))))))CCO6)))))))))CCOCC6
|
[N-1][=N+1][=N][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][=N][C][=N][C][Branch1][C][O][=C][Ring1][#Branch1][F][C][C][O][Ring1][S][C][C][O][C][C][Ring2][Ring1][#Branch2]
|
[N-]=[N+]=NC18CCOCC1.c17ncnc(O)c1F.[C@@H]19CN5CCO1.C48=O.C57=O.N46.C69
|
C/C(=C/C(=O)N1CC[C@@]1(C)C(=O)Nc1ncc(C(F)(F)F)cc1F)C(=O)O
|
C/C=C/C=O)NCC[C@@]4C)C=O)NcnccCF)F)F))cc6F)))))))))))))))C=O)O
|
[C][/C][=Branch2][Ring2][#Branch1][=C][/C][=Branch1][C][=O][N][C][C][C@@][Ring1][Ring2][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][F][C][=Branch1][C][=O][O]
|
c14ncc7cc1F.N12CC[C@]15C.CC=6C(=O)O.C=6C2=O.C7(F)(F)F.C35=O.N34
|
CCC(F)(F)CC(=O)NCC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1COC(=O)O1
|
CCCF)F)CC=O)NCC[C@@H]Ccccccc6)))))))NC=O)[C@@H]COC=O)O5
|
[C][C][C][Branch1][C][F][Branch1][C][F][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][C][O][C][=Branch1][C][=O][O][Ring1][=Branch1]
|
CCC(F)(F)CC2=O.C4C[C@H]5C7.c17ccccc1.[C@@H]16COC(=O)O1.C36=O.N24.N35
|
O=C(NCC=CCl)C1=CCN(C(=O)C=C(C2CC2)C2CC2)C1
|
O=CNCC=CCl)))))C=CCNC=O)C=CCCC3)))CCC3))))))C5
|
[O][=C][Branch1][=Branch1][N][C][C][=C][Cl][C][=C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1][C][Ring1][#C]
|
O=C3C1=CCN4C1.C=6(C1CC1)C1CC1.C5C=CCl.C4(=O)C=6.N35
|
C[C@H](CNC(=O)c1ccn2cnnc2c1)N(C)C(=O)CCc1cncnc1
|
C[C@H]CNC=O)cccncnnc5c9))))))))))))NC)C=O)CCccncnc6
|
[C][C@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][=C][N][C][=N][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=C][N][=C][N][=C][Ring1][=Branch1]
|
c17ccn2cnnc2c1.c18cncnc1.C4(=O)CC8.C[C@@H]5C6.C37=O.N45C.N36
|
CC(=O)c1ccc(C(=O)N2CC=C(CNC(=O)c3cn(C)cc3C)CC2)o1
|
CC=O)ccccC=O)NCC=CCNC=O)ccnC)cc5C)))))))))CC6)))))))o5
|
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][C][Ring1][P][O][Ring2][Ring1][Branch2]
|
N14CC=C(C6)CC1.c19cn(C)cc1C.c17ccc8o1.CC7=O.C48=O.C59=O.N56
|
C=CC1(C(=O)N(C)C[C@@H](C)C(=O)N[C@H]2COCCC2(F)F)CCOCC1
|
C=CCC=O)NC)C[C@@H]C)C=O)N[C@H]COCCC6F)F)))))))))))))CCOCC6
|
[C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][O][C][C][C][Ring1][=Branch1][Branch1][C][F][F][C][C][O][C][C][Ring2][Ring1][Branch2]
|
C=CC17CCOCC1.[C@H]16COCCC1(F)F.C5[C@@H](C)C4=O.C37=O.N35C.N46
|
CCCC[C@@H](NC(=O)C[C@H](C)C(=O)OC)C(=O)N[C@H]1C[C@H](CO)C1
|
CCCC[C@@H]NC=O)C[C@H]C)C=O)OC)))))))C=O)N[C@H]C[C@H]CO))C4
|
[C][C][C][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch1][Ring1][C][O][C][Ring1][=Branch1]
|
CCCC[C@@H]5C4=O.C3(=O)C[C@H](C)C2=O.[C@H]16C[C@H]7C1.N35.O2C.N46.C7O
|
CC(C)(C)OC(=O)NCc1ccoc1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC1(F)F
|
CCC)C)OC=O)NCcccoc5C=O)N[C@@H]CO))CNC=O)[C@@H]CC3F)F
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][N][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][Branch1][C][F][F]
|
c14ccoc1%12.[C@@H]%10(C%11)CO.[C@@H]13CC1(F)F.CC8(C)C.C25=O.C6%12=O.C73=O.O28.N59.C94.N6%10.N7%11
|
COC(=O)[C@H](C)NC(=O)[C@@H](c1cc(F)ccc1OC)N1C[C@H]2CNS(=O)(=O)[C@H]2C1
|
COC=O)[C@H]C)NC=O)[C@@H]cccF)ccc6OC))))))))NC[C@H]CNS=O)=O)[C@H]5C8
|
[C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][N][C][C@H1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C@H1][Ring1][#Branch1][C][Ring1][#Branch2]
|
N17C[C@H]2CNS(=O)(=O)[C@H]2C1.c18cc(F)ccc15.C3(=O)[C@@H]6C.C4(=O)[C@H]78.CO3.N46.O5C
|
COCCC1(C(=O)N2CCN(C3CN(C(=O)C[C@@H]4C=CCCC4)C3)CC2)CCC1
|
COCCCC=O)NCCNCCNC=O)C[C@@H]C=CCCC6))))))))C4))))CC6)))))))CCC4
|
[C][O][C][C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C@@H1][C][=C][C][C][C][Ring1][=Branch1][C][Ring1][=N][C][C][Ring2][Ring1][Ring1][C][C][C][Ring2][Ring1][=Branch2]
|
N15CCN8CC1.[C@@H]1%11C=CCCC1.C19%10CCC1.C18CN6C1.C6(=O)C%11.C7C%10.C59=O.CO7
|
C[C@@H](F)CC(=O)N1CCOC2(CCN(C(=O)c3cnc(S)nc3)CC2)C1
|
C[C@@H]F)CC=O)NCCOCCCNC=O)ccncS)nc6)))))))CC6)))))C6
|
[C][C@@H1][Branch1][C][F][C][C][=Branch1][C][=O][N][C][C][O][C][Branch2][Ring1][=Branch2][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][S][N][=C][Ring1][#Branch1][C][C][Ring1][#C][C][Ring2][Ring1][Ring2]
|
N14CCOC2(CCN5CC2)C1.c16cnc(S)nc1.C[C@@H](F)CC4=O.C56=O
|
CC(C)(CNC(=O)c1c[nH]c(=S)cn1)CC(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1
|
CCC)CNC=O)cc[nH]c=S)cn6)))))))))CC=O)NC[C@]C)C[C@H]C[C@H]3C6
|
[C][C][Branch1][C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=Branch1][C][=S][C][=N][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][C][C@H1][C][C@H1][Ring1][Ring1][C][Ring1][#Branch1]
|
CC(C)(C5)CC4=O.c17c[nH]c(=S)cn1.[C@@]18(C)C[C@H]2C[C@H]2C1.C37=O.N35.N46.C68
|
Cc1[nH]c(C(F)(F)F)cc1C(=O)NC1CC(CNC(=O)c2cc(C(N)=O)c[nH]2)C1
|
Cc[nH]cCF)F)F))cc5C=O)NCCCCNC=O)cccCN)=O))c[nH]5))))))))C4
|
[C][C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][NH1][Ring1][Branch2][C][Ring1][S]
|
Cc1[nH]c%10cc18.c17cc9c[nH]1.C16CC%11C1.C%10(F)(F)F.C38=O.C47=O.C9(N)=O.N36.C5%11.N45
|
CC1=C(C(=O)N[C@@H]2CN(c3ncnc4onc(C)c34)CC[C@@H]2C)CCC1
|
CC=CC=O)N[C@@H]CNcncnconcC)c95)))))))))CC[C@@H]6C)))))))))CCC5
|
[C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][P][C][=N][C][=N][C][O][N][=C][Branch1][C][C][C][Ring1][#Branch2][=Ring1][=Branch1][C][C][C@@H1][Ring1][S][C][C][C][C][Ring2][Ring1][=Branch2]
|
c16ncnc2onc(C)c12.CC1=C(C5=O)CCC1.[C@@H]17CN6CC[C@@H]1C.N57
|
CC(C)(O)CCC(=O)N[C@H]1CCCC[C@@]12CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C2
|
CCC)O)CCC=O)N[C@H]CCCC[C@@]6CCNC=O)CCCC)C)[N+]=O)[O-]))))))C5
|
[C][C][Branch1][C][C][Branch1][C][O][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C][C@@][Ring1][=Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][N+1][=Branch1][C][=O][O-1][C][Ring1][#C]
|
[C@H]15CCCC[C@@]12CCN4C2.C4(=O)CCC(C)(C)[N+](=O)[O-].CC(C)(O)CCC3=O.N35
|
C=CCC[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(=O)[C@@H]2C(C)(C)C2(F)F)C1
|
C=CCC[C@H]CCCNC=O)[C@H]CCCCN6C=O)[C@@H]CC)C)C3F)F))))))))))))C6
|
[C][=C][C][C][C@H1][C][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch1][Branch1][C][F][F][C][Ring2][Ring1][#Branch1]
|
[C@H]17CCCN3C1.[C@H]15CCCCN14.[C@@H]16C(C)(C)C1(F)F.C=CCC7.C35=O.C46=O
|
CO[C@]1(C(=O)N2CC[C@H]3CN(C(=O)c4ccc(C)cc4C)C[C@H]3C2)CCOC1
|
CO[C@]C=O)NCC[C@H]CNC=O)ccccC)cc6C))))))))C[C@H]5C9))))))))))CCOC5
|
[C][O][C@][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][C@H1][Ring1][#C][C][Ring2][Ring1][Ring1][C][C][O][C][Ring2][Ring1][#Branch2]
|
N15CC[C@H]2CN6C[C@H]2C1.c19ccc(C)cc1C.[C@@]178CCOC1.C58=O.C69=O.CO7
|
CCCC[C@@H](CC)CC(=O)N(C)[C@H]1CN(C(=O)c2ccncc2)CC[C@H]1C
|
CCCC[C@@H]CC))CC=O)NC)[C@H]CNC=O)cccncc6)))))))CC[C@H]6C
|
[C][C][C][C][C@@H1][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C@H1][Ring1][=C][C]
|
CCCC[C@@H](CC)CC3=O.[C@H]15CN4CC[C@H]1C.c16ccncc1.N35C.C46=O
|
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