SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
CCC(CC)(C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc([N+](=O)[O-])cn3)[C@@H]2C1)C(C)C
|
CCCCC))C=O)NC[C@@H][C@@H]CNC=O)cccc[N+]=O)[O-]))cn6)))))))))[C@@H]3C6)))))))CC)C
|
[C][C][C][Branch1][Ring1][C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C@@H1][C@@H1][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][=Branch2][C@@H1][Ring1][S][C][Ring2][Ring1][Ring1][C][Branch1][C][C][C]
|
CCC(CC)(C4=O)C(C)C.c17ccc([N+](=O)[O-])cn1.N14C[C@@H]2[C@@H]8[C@@H]2C1.C57=O.C68.N56
|
CN(C(=O)OC(C)(C)C)C(C)(C)C(=O)N[C@H]1CC[C@H]1NC(=O)Cc1cncn1C
|
CNC=O)OCC)C)C))))CC)C)C=O)N[C@H]CC[C@H]4NC=O)Cccncn5C
|
[C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][N][=C][N][Ring1][Branch1][C]
|
C7(C)(C)C4=O.c1%10cncn1C.[C@H]18CC[C@H]19.C6(C)(C)C.C5(=O)C%10.CN37.C23=O.O26.N48.N59
|
CN(C)c1ncnc(Cl)c1NC(=O)c1ccc(OCc2cccs2)cc1
|
CNC)cncncCl)c6NC=O)ccccOCccccs5)))))))cc6
|
[C][N][Branch1][C][C][C][=N][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=N]
|
c16ncnc(Cl)c17.c18ccc5cc1.c19cccs1.CN6C.C38=O.N37.O45.C49
|
CCCCC(=O)N(CC)[C@H]1CCCN(C(=O)c2ncc(C)cn2)CC1
|
CCCCC=O)NCC))[C@H]CCCNC=O)cnccC)cn6)))))))CC7
|
[C][C][C][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C@H1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=N][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][C][Ring1][S]
|
[C@H]16CCCN4CC1.c17ncc(C)cn1.CCCCC3=O.N356.C47=O.C5C
|
CN([C@H]1CCCNCC1)S(=O)(=O)c1cc(C#N)ccc1OC(F)F
|
CN[C@H]CCCNCC7)))))))S=O)=O)cccC#N))ccc6OCF)F
|
[C][N][Branch1][#Branch2][C@H1][C][C][C][N][C][C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][O][C][Branch1][C][F][F]
|
S3(=O)(=O)c1cc(C#N)ccc12.[C@H]14CCCNCC1.O2C(F)F.CN34
|
CCc1ccc(C(=O)NC(C)(C)[C@H](C)NC(=O)C2CCC(C)CC2)s1
|
CCccccC=O)NCC)C)[C@H]C)NC=O)CCCCC)CC6))))))))))))s5
|
[C][C][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][S][Ring2][Ring1][#Branch1]
|
C18CCC(C)CC1.c19ccc7s1.C5(C)(C)[C@@H]6C.C37=O.C48=O.CC9.N35.N46
|
CCC(O)(CC)CCNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CC1
|
CCCO)CC))CCNC=O)C=O)NCCccccBr)cc6))))))CC3
|
[C][C][C][Branch1][C][O][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring1][#Branch2]
|
CCC(O)(CC)CC5.c18ccc(Br)cc1.C3(=O)C4=O.C178CC1.N35.N46.C67
|
CC(=Cc1ccccc1Cl)C(=O)NC1CC2(C1)C[C@@H]2NC(=O)CCn1cccn1
|
CC=Ccccccc6Cl))))))))C=O)NCCCC4)C[C@@H]3NC=O)CCncccn5
|
[C][C][=Branch1][O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][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][N][C][=C][C][=N][Ring1][Branch1]
|
C=7c1ccccc1Cl.C15CC2(C1)C[C@@H]26.CC=7C3=O.C4(=O)CC8.n18cccn1.N35.N46
|
CC(C)=C(F)C(=O)NC(C)(C)[C@@H]1CCCN1C(=O)[C@@H]1CCCCC(=O)N1
|
CCC)=CF)C=O)NCC)C)[C@@H]CCCN5C=O)[C@@H]CCCCC=O)N7
|
[C][C][Branch1][C][C][=C][Branch1][C][F][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][C][C][=Branch1][C][=O][N][Ring1][Branch2]
|
[C@@H]15CCCCC(=O)N1.[C@@H]17CCCN13.C=6(F)C2=O.C47(C)C.CC=6C.C35=O.N24
|
C[C@H](OC1CCCC1)C(=O)NC[C@@]1(CO)CCN(C(=O)c2cnnc(O)c2)C1
|
C[C@H]OCCCCC5))))))C=O)NC[C@@]CO))CCNC=O)ccnncO)c6)))))))C5
|
[C][C@H1][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@][Branch1][Ring1][C][O][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][N][=N][C][Branch1][C][O][=C][Ring1][#Branch1][C][Ring1][S]
|
[C@]19%10CCN4C1.c18cnnc(O)c1.C[C@H]5C3=O.C16CCCC1.C48=O.O56.N37.C79.C%10O
|
CCC(CC)(CNC(=NCCC(=O)NC)NC[C@@H](O)c1ccc(Cl)c(F)c1)SC
|
CCCCC))CNC=NCCC=O)NC))))))NC[C@@H]O)ccccCl)cF)c6))))))))))))SC
|
[C][C][C][Branch1][Ring1][C][C][Branch2][Ring2][Ring1][C][N][C][=Branch1][#Branch2][=N][C][C][C][=Branch1][C][=O][N][C][N][C][C@@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][S][C]
|
N3C(=NCCC2=O)N4.c16ccc(Cl)c(F)c1.CCC5(C3)CC.C4[C@H]6O.N2C.S5C
|
C#Cc1cc(F)cc(C(=O)NCC[C@@H]2COCCN2C(=O)c2occc2CC)c1
|
C#CcccF)ccC=O)NCC[C@@H]COCCN6C=O)coccc5CC))))))))))))))))))c6
|
[C][#C][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=Ring1][Branch1][C][C][=C][Ring2][Ring1][O]
|
C#Cc1cc7cc(F)c1.[C@@H]18COCCN14.c16occc19.C37=O.C5C8.C46=O.N35.C9C
|
CC[C@H]1C[C@@H]1CNC(=O)[C@H]1CC(C)(C)CCN1C(=O)c1ccc(F)c(O)c1
|
CC[C@H]C[C@@H]3CNC=O)[C@H]CCC)C)CCN6C=O)ccccF)cO)c6
|
[C][C][C@H1][C][C@@H1][Ring1][Ring1][C][N][C][=Branch1][C][=O][C@H1][C][C][Branch1][C][C][Branch1][C][C][C][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][Branch2]
|
[C@H]15CC(C)(C)CCN13.c16ccc(F)c(O)c1.[C@H]17C[C@@H]18.C25=O.C36=O.CC7.C48.N24
|
CC(C)(NC(=O)C(F)(F)F)C(=O)NC[C@H]1C[C@H](NC(=O)COC(F)(F)F)C[C@H]1O
|
CCC)NC=O)CF)F)F))))C=O)NC[C@H]C[C@H]NC=O)COCF)F)F))))))C[C@H]5O
|
[C][C][Branch1][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][N][C][C@H1][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][O][C][Branch1][C][F][Branch1][C][F][F][C][C@H1][Ring1][=C][O]
|
[C@H]19C[C@H]8C[C@H]1O.CC6(C)C3=O.C2(=O)C(F)(F)F.O5C(F)(F)F.C4(=O)C5.N26.N37.C79.N48
|
O=C(NC[C@@H](O)CNC(=O)[C@H]1CC12CCC2)c1cc2cccn2c(O)n1
|
O=CNC[C@@H]O)CNC=O)[C@H]CC3CCC4))))))))))))ccccccn5cO)n9
|
[O][=C][Branch2][Ring1][#Branch1][N][C][C@@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C@H1][C][C][Ring1][Ring1][C][C][C][Ring1][Ring2][C][=C][C][=C][C][=C][N][Ring1][Branch1][C][Branch1][C][O][=N][Ring1][#Branch2]
|
c17cc2cccn2c(O)n1.[C@H]18CC12CCC2.C5[C@@H](O)C6.O=C37.C48=O.N35.N46
|
C[C@H](CCCNC(=O)c1coc2c1CS(=O)(=O)C2)NC(=O)C1(O)CCC1
|
C[C@H]CCCNC=O)ccocc5CS=O)=O)C5)))))))))))))NC=O)CO)CCC4
|
[C][C@H1][Branch2][Ring1][O][C][C][C][N][C][=Branch1][C][=O][C][=C][O][C][=C][Ring1][Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][O][C][C][C][Ring1][Branch1]
|
c18coc2c1CS(=O)(=O)C2.C[C@@H]5CCC6.C17(O)CCC1.C38=O.C47=O.N36.N45
|
CSCC(=O)N1CCC2(CCCN(C(=O)c3c[nH]cc(Br)c3=O)C2)CC1
|
CSCC=O)NCCCCCCNC=O)cc[nH]ccBr)c6=O))))))))C6)))))CC6
|
[C][S][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch2][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][NH1][C][=C][Branch1][C][Br][C][Ring1][#Branch1][=O][C][Ring1][S][C][C][Ring2][Ring1][Branch1]
|
N14CCC2(CCCN5C2)CC1.c17c[nH]cc(Br)c1=O.C6C4=O.C57=O.CS6
|
CO[C@H](C)[C@@H](CC(=O)N1CC(N2CCOC2=O)C1)NC(=O)C[C@@H]1CCSC1
|
CO[C@H]C)[C@@H]CC=O)NCCNCCOC5=O))))))C4))))))NC=O)C[C@@H]CCSC5
|
[C][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][N][C][C][O][C][Ring1][Branch1][=O][C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C@@H1][C][C][S][C][Ring1][Branch1]
|
[C@@H]5(C)[C@H]6CC3=O.N18CCOC1=O.N13CC8C1.[C@@H]17CCSC1.C4(=O)C7.CO5.N46
|
COc1ccc(O)c(NC(=O)[C@@H]2C[C@@H]2NS(=O)(=O)c2cc(C)cnc2Cl)c1
|
COccccO)cNC=O)[C@@H]C[C@@H]3NS=O)=O)cccC)cnc6Cl))))))))))))))c6
|
[C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][N][=C][Ring1][#Branch1][Cl][=C][Ring2][Ring1][=Branch2]
|
S5(=O)(=O)c1cc(C)cnc1Cl.c14ccc(O)c6c1.[C@@H]18C[C@@H]17.C38=O.CO4.N36.N57
|
C#Cc1cccc(CNCC(C)(C)[C@@H]2COCC23OCCO3)n1
|
C#CcccccCNCCC)C)[C@@H]COCC5OCCO5)))))))))))))n6
|
[C][#C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][N][C][C][Branch1][C][C][Branch1][C][C][C@@H1][C][O][C][C][Ring1][Branch1][O][C][C][O][Ring1][Branch1][=N][Ring2][Ring1][Branch1]
|
[C@@H]17COCC12OCCO2.C#Cc1cccc6n1.C5C7(C)C.C46.N45
|
CCc1cc(C)c(C(=O)N2CC[C@H]([C@@H]3CCCN(C(=O)c4cnc(C)[nH]4)C3)C2)o1
|
CCcccC)cC=O)NCC[C@H][C@@H]CCCNC=O)ccncC)[nH]5))))))C6))))))C5))))))o5
|
[C][C][C][=C][C][Branch1][C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][=Branch2][C@@H1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][NH1][Ring1][=Branch1][C][Ring1][=C][C][Ring2][Ring1][Ring1][O][Ring2][Ring1][O]
|
N15CC[C@H]([C@@H]2CCCN6C2)C1.c19cc(C)c7o1.c18cnc(C)[nH]1.C57=O.C68=O.CC9
|
CCc1onc(C)c1NC(=O)C[C@H](CNC(=O)c1ccc(F)c(C)c1)OC
|
CCconcC)c5NC=O)C[C@H]CNC=O)ccccF)cC)c6)))))))))OC
|
[C][C][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][C][=C][Ring1][Branch2][O][C]
|
c17ccc(F)c(C)c1.c18onc(C)c16.C2(=O)C[C@@H]4C5.C37=O.CC8.N26.N35.O4C
|
COCc1cncc(C(=O)N[C@@H]2CN(C(=O)C3=C[C@H]4C=C[C@@H](C3)C4)CC23CC3)c1
|
COCccnccC=O)N[C@@H]CNC=O)C=C[C@H]C=C[C@@H]C7)C5))))))))CC5CC3)))))))))c6
|
[C][O][C][C][=C][N][=C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C@H1][C][=C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][=Branch1][C][C][Ring1][#C][C][C][Ring1][Ring1][=C][Ring2][Ring1][#Branch2]
|
C6(=O)C1=C[C@H]2C=C[C@@H](C1)C2.[C@@H]18CN6CC12CC2.c1%10cncc9c1.C59=O.CO7.C7%10.N58
|
Cc1ncc(CCC(=O)N[C@@H]2CCCCCN(C(=O)c3cn(C)nn3)C2)c(O)n1
|
CcnccCCC=O)N[C@@H]CCCCCNC=O)ccnC)nn5))))))C8))))))))))))cO)n6
|
[C][C][=N][C][=C][Branch2][Ring2][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][N][=N][Ring1][=Branch1][C][Ring1][S][C][Branch1][C][O][=N][Ring2][Ring1][N]
|
[C@@H]16CCCCCN5C1.Cc1ncc8c(O)n1.c17cn(C)nn1.C8CC4=O.C57=O.N46
|
C[C@H]1CN(Cc2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)s2)Cc2nncn21
|
C[C@H]CNCcnncCCCNC=O)OCC)C)C))))CC6))))))s5))))))Ccnncn59
|
[C][C@H1][C][N][Branch2][Ring2][Ring2][C][C][=N][N][=C][Branch2][Ring1][Branch2][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][S][Ring2][Ring1][C][C][C][=N][N][=C][N][Ring1][Branch1][Ring2][Ring1][N]
|
C[C@H]1CN7Cc2nncn21.C19CCN5CC1.c18nnc9s1.C6(C)(C)C.C45=O.C78.O46
|
CO[C@@H](C(=O)N[C@H]1CCN(C(=O)c2ccnc(Cl)c2Cl)CC12CCC2)C1CCC1
|
CO[C@@H]C=O)N[C@H]CCNC=O)cccncCl)c6Cl))))))))CC6CCC4)))))))))))CCCC4
|
[C][O][C@@H1][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][Ring1][S][C][C][C][Ring1][Ring2][C][C][C][C][Ring1][Ring2]
|
[C@H]16CCN4CC12CCC2.c17ccnc(Cl)c1Cl.[C@@H]58C3=O.C18CCC1.C47=O.CO5.N36
|
Cc1ccc(CC(=O)NCCSCC(=O)N(C)C[C@@H]2C[C@H]2C)s1
|
CccccCC=O)NCCSCC=O)NC)C[C@@H]C[C@H]3C))))))))))))))s5
|
[C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][C][C@H1][Ring1][Ring1][C][S][Ring2][Ring1][=Branch1]
|
Cc1ccc9s1.C9C3=O.C8C4=O.[C@@H]1%10C[C@H]1C.C5C7.N46C.N35.S78.C6%10
|
C#CC[C@]1(O)C[C@@H](C(=O)NCCn2cc(CNC(=O)c3c(Cl)cnn3C)nn2)C1
|
C#CC[C@]O)C[C@@H]C=O)NCCnccCNC=O)ccCl)cnn5C)))))))))nn5)))))))))C4
|
[C][#C][C][C@][Branch1][C][O][C][C@@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][N][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=N][N][Ring1][=Branch1][C][N][=N][Ring1][S][C][Ring2][Ring1][#Branch2]
|
c18c(Cl)cnn1C.[C@]1%12(O)C[C@H]9C1.n1%10cc%11nn1.C#CC%12.C49=O.C6C%10.C58=O.N46.C7%11.N57
|
CO[C@@H]1C[C@@H](CC(=O)NC2(C)CN(C(=O)c3oncc3C)C2)C1(C)C
|
CO[C@@H]C[C@@H]CC=O)NCC)CNC=O)concc5C)))))))C4)))))))C4C)C
|
[C][O][C@@H1][C][C@@H1][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][O][N][=C][C][=Ring1][Branch1][C][C][Ring1][=N][C][Ring2][Ring1][Branch1][Branch1][C][C][C]
|
[C@@H]16C[C@@H]9C1(C)C.C17(C)CN5C1.c18oncc1C.C9C4=O.C58=O.CO6.N47
|
Cc1ccc(CCC(=O)NC/C=C/C(=O)N(C)CCCF)o1
|
CccccCCC=O)NC/C=C/C=O)NC)CCCF)))))))))))))o5
|
[C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][/C][=C][/C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][F][O][Ring2][Ring1][Branch1]
|
Cc1ccc7o1.C7CC2=O.C=6C3=O.C5CCF.C4C=6.N35C.N24
|
CCC(C)(CC)C(=O)N1CC=C[C@H](C(=O)N2CCC[C@H](CCO)CC2)C1
|
CCCC)CC))C=O)NCC=C[C@H]C=O)NCCC[C@H]CCO)))CC7))))))))C6
|
[C][C][C][Branch1][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][=C][C@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][Ring2][C][C][O][C][C][Ring1][#Branch2][C][Ring2][Ring1][C]
|
CCC(C)(CC)C3=O.N14CCC[C@H]6CC1.N13CC=C[C@H]5C1.C45=O.C6CO
|
Cc1ncc(C(=O)N2CCOC[C@@H]2CN(C)C(=O)[C@@H](C)C2CCCCC2)c(C)n1
|
CcnccC=O)NCCOC[C@@H]6CNC)C=O)[C@@H]C)CCCCCC6)))))))))))))))))cC)n6
|
[C][C][=N][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][O][C][C@@H1][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][C][=N][Ring2][Ring1][N]
|
Cc1ncc6c(C)n1.N13CCOC[C@@H]17.C18CCCCC1.C4(=O)[C@H]8C.C36=O.N45C.C57
|
CC[C@H](C(=O)NCCN(C)C(=O)C[C@H]1CCCS1(=O)=O)C1CCOCC1
|
CC[C@H]C=O)NCCNC)C=O)C[C@H]CCCS5=O)=O)))))))))))))CCCOCC6
|
[C][C][C@H1][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C@H1][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][C][C][C][O][C][C][Ring1][=Branch1]
|
[C@H]16CCCS1(=O)=O.CC[C@@H]7C2=O.C17CCOCC1.C3(=O)C6.C4C5.N35C.N24
|
CCCNC(=O)CNC(=O)[C@@]1(NC(=O)c2cn(C)nc2OC)C[C@H]1C
|
CCCNC=O)CNC=O)[C@@]NC=O)ccnC)nc5OC)))))))))C[C@H]3C
|
[C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][O][C][C][C@H1][Ring1][=C][C]
|
c1%11cn(C)nc16.[C@@]19%10C[C@H]1C.C3(=O)C8.CCC7.C4%10=O.C5%11=O.N37.N48.N59.O6C
|
CC(C)(C)OC(=O)c1cnc(N[C@]2(c3ccccc3)CC2(C)C)o1
|
CCC)C)OC=O)ccncN[C@]cccccc6))))))CC3C)C)))))o5
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][Branch1][N][C@][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][Branch1][C][C][C][O][Ring1][P]
|
c18cnc7o1.[C@@]169CC1(C)C.c19ccccc1.CC5(C)C.C48=O.O45.N67
|
C[C@@H]1c2ccccc2CCN1C(=O)c1ncccc1NC(=O)c1cccnn1
|
C[C@@H]cccccc6CCN%10C=O)cncccc6NC=O)ccccnn6
|
[C][C@@H1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=N][Ring1][=Branch1]
|
C[C@@H]1c2ccccc2CCN13.c16ncccc15.c17cccnn1.C36=O.C47=O.N45
|
Cc1ccoc1C(=O)NC[C@H](NC(=O)CN1CC[C@@H](C)C1)c1ccc(F)cc1F
|
Ccccoc5C=O)NC[C@H]NC=O)CNCC[C@@H]C)C5))))))))ccccF)cc6F
|
[C][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][N][C][C][C@@H1][Branch1][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]
|
c18ccc(F)cc1F.Cc1ccoc17.N16CC[C@@H](C)C1.C4[C@H]58.C3(=O)C6.C27=O.N24.N35
|
CCc1c(Br)c(C(=O)N2CC3(CC(C(=O)N(CCO)CCO)C3)C2)nn1C
|
CCccBr)cC=O)NCCCCC=O)NCCO)))CCO)))))C4)))C4)))))nn5C
|
[C][C][C][=C][Branch1][C][Br][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Branch1][C][C][Branch1][=C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][O][C][Ring1][=N][C][Ring1][S][=N][N][Ring2][Ring1][Branch2][C]
|
c1%10c(Br)c8nn1C.N14CC2(CC9C2)C1.C48=O.C59=O.N567.C6CO.C7CO.CC%10
|
C=C[C@]1(C(=O)NCCC(C)(C)CC)CCN(C(=O)CCc2nncs2)C1
|
C=C[C@]C=O)NCCCC)C)CC)))))))CCNC=O)CCcnncs5))))))))C5
|
[C][=C][C@][Branch1][P][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][=N][N][=C][S][Ring1][Branch1][C][Ring2][Ring1][Branch2]
|
C=C[C@]16CCN4C1.C5CC(C)(C)CC.C4(=O)CC7.c17nncs1.C36=O.N35
|
CCC1(CNC(=O)[C@H]2COCC[C@@H]2NC(=O)C/C=C/C(C)(C)C)CCC1
|
CCCCNC=O)[C@H]COCC[C@@H]6NC=O)C/C=C/CC)C)C))))))))))))))))CCC4
|
[C][C][C][Branch2][Ring1][#C][C][N][C][=Branch1][C][=O][C@H1][C][O][C][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][/C][=C][/C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring2][Ring1][Branch2]
|
[C@H]17COCC[C@@H]16.C19%10CCC1.C4(=O)CC=8.C=8C(C)(C)C.C37=O.CC9.C5%10.N35.N46
|
CCC=CC=CC(=O)N[C@@H]1CCC[C@]12CCN(C(=O)c1nccc(Cl)c1C)C2
|
CCC=CC=CC=O)N[C@@H]CCC[C@]5CCNC=O)cncccCl)c6C))))))))C5
|
[C][C][C][=C][C][=C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C@][Ring1][Branch1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][#C]
|
[C@@H]15CCC[C@]12CCN4C2.c16nccc(Cl)c1C.C=8C3=O.CCC=7.C=7C=8.C46=O.N35
|
CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2n[nH]c3c2CCOC3)[C@H]2COC[C@@H]2O1
|
CCC)C)C=O)NC[C@@H]CNC=O)cn[nH]cc5CCOC6))))))))))[C@H]COC[C@@H]5O9
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][C][O][C][Ring1][=Branch1][C@H1][C][O][C][C@@H1][Ring1][Branch1][O][Ring2][Ring1][Ring2]
|
[C@@H]18CN5[C@H]2COC[C@@H]2O1.c17n[nH]c2c1CCOC2.CC(C)(C)C4=O.C57=O.N46.C68
|
CCc1conc1CNC(=O)c1ccn(CC2CC2)c1C
|
CCcconc5CNC=O)cccnCCCC3))))c5C
|
[C][C][C][=C][O][N][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Ring1][=Branch2][C]
|
c15ccn6c1C.c19conc17.C35=O.C18CC1.CC9.C47.N34.C68
|
C=C1Cn2c(nnc2C(=O)NC[C@@]2(C)CCCN2C(=O)CN2CCCNC2=O)S1
|
C=CCncnnc5C=O)NC[C@@]C)CCCN5C=O)CNCCCNC6=O))))))))))))))))))))S5
|
[C][=C][C][N][C][=Branch2][Ring2][Ring2][=N][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][C][C][N][C][Ring1][=Branch1][=O][S][Ring2][Ring1][N]
|
C=C1Cn2c6nnc2S1.[C@]18(C)CCCN14.N17CCCNC1=O.C4(=O)C7.C36=O.N35.C58
|
O=C(CCc1cncnc1)NC[C@H]1[C@H](O)[C@H](O)CN1C(=O)c1cnc(S)[nH]1
|
O=CCCccncnc6))))))))NC[C@H][C@H]O)[C@H]O)CN5C=O)ccncS)[nH]5
|
[O][=C][Branch1][O][C][C][C][=C][N][=C][N][=C][Ring1][=Branch1][N][C][C@H1][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][S][NH1][Ring1][=Branch1]
|
[C@H]16[C@H](O)[C@H](O)CN13.c17cncnc1.c15cnc(S)[nH]1.O=C2CC7.C35=O.N24.C46
|
Cc1ncc(CN2[C@@H]3CC[C@H]2C[C@@H](NC(=O)c2c(F)ccc(C)c2Cl)C3)cn1
|
CcnccCN[C@@H]CC[C@H]5C[C@@H]NC=O)ccF)cccC)c6Cl)))))))))C7)))))))))cn6
|
[C][C][=N][C][=C][Branch2][Ring2][=Branch1][C][N][C@@H1][C][C][C@H1][Ring1][Branch1][C][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][Cl][C][Ring2][Ring1][Ring1][C][=N][Ring2][Ring1][O]
|
N15[C@@H]2CC[C@H]1C[C@@H]6C2.c17c(F)ccc(C)c1Cl.Cc1ncc8cn1.C47=O.C58.N46
|
Cn1cnc2c1CCC[C@@H]2C(=O)NC[C@H]1CCC[C@H]1NC(=O)CCS(C)(=O)=O
|
Cncncc5CCC[C@@H]6C=O)NC[C@H]CCC[C@H]5NC=O)CCSC)=O)=O
|
[C][N][C][=N][C][=C][Ring1][Branch1][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][S][Branch1][C][C][=Branch1][C][=O][=O]
|
Cn1cnc2c1CCC[C@@H]2C3=O.C4(=O)CCS(C)(=O)=O.[C@H]17CCC[C@H]16.N35.C57.N46
|
COC[C@H](C)[C@@H](C)C(=O)NC[C@H]1CCCN1C(=O)c1cccc(C(F)F)c1
|
COC[C@H]C)[C@@H]C)C=O)NC[C@H]CCCN5C=O)cccccCF)F))c6
|
[C][O][C][C@H1][Branch1][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][Ring1][=Branch2]
|
C4[C@H](C)[C@@H](C)C2=O.c16cccc8c1.[C@H]17CCCN13.C36=O.C8(F)F.CO4.N25.C57
|
C[C@H](CNC(=O)[C@@H]1CO[C@H]2COC[C@H]21)CN(C)C(=O)c1nccc(C(F)(F)F)n1
|
C[C@H]CNC=O)[C@@H]CO[C@H]COC[C@H]58)))))))))))CNC)C=O)cncccCF)F)F))n6
|
[C][C@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C@@H1][C][O][C@H1][C][O][C][C@H1][Ring1][Branch1][Ring1][Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2]
|
[C@@H]18CO[C@H]2COC[C@@H]12.c17nccc9n1.C[C@H](C5)C6.C9(F)(F)F.C38=O.N46C.C47=O.N35
|
c1cc(CN=c2nc(N3[C@H]4CCC[C@H]3COC4)c3c([nH]2)CSC3)ncc1C1CC1
|
cccCN=cncN[C@H]CCC[C@H]6COC8)))))))))cc[nH]6)CSC5))))))))))ncc6CCC3
|
[C][=C][C][Branch2][Ring1][P][C][N][=C][N][=C][Branch1][=C][N][C@H1][C][C][C][C@H1][Ring1][=Branch1][C][O][C][Ring1][Branch2][C][=C][Branch1][Ring2][NH1][Ring1][#C][C][S][C][Ring1][=Branch1][=N][C][=C][Ring2][Ring1][#Branch2][C][C][C][Ring1][Ring1]
|
C6N=c1nc5c2c([nH]1)CSC2.N15[C@H]2CCC[C@H]1COC2.c1cc6ncc17.C17CC1
|
O=C(CC1(O)CCC1)NC[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3O2)CC1
|
O=CCCO)CCC4)))))NC[C@H]CC[C@H]CNC=O)[C@@H]C[C@@H]CCCC[C@H]6O9))))))))))))CC6
|
[O][=C][Branch1][O][C][C][Branch1][C][O][C][C][C][Ring1][Branch1][N][C][C@H1][C][C][C@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1]
|
[C@@H]18C[C@@H]2CCCC[C@H]2O1.[C@H]1%10CC[C@H]%11CC1.C19(O)CCC1.O=C4C9.C58=O.N46.C6%10.C7%11.N57
|
C=CCC1(C(=O)NC2CC(C)(CNC(=O)C(F)=CC3CC3)C2)CCC1
|
C=CCCC=O)NCCCC)CNC=O)CF)=CCCC3))))))))C4))))))CCC4
|
[C][=C][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][Branch1][C][F][=C][C][C][C][Ring1][Ring1][C][Ring1][#C][C][C][C][Ring2][Ring1][=Branch1]
|
C17CC%11(C)C1.C18%10CCC1.C5(=O)C=9F.C=9C1CC1.C=CC%10.C48=O.N47.C6%11.N56
|
C#CCN(CC(=O)N1CCC2(CC2)C1)C(=O)[C@H]1C[C@]1(C)C(F)F
|
C#CCNCC=O)NCCCCC3))C5)))))))C=O)[C@H]C[C@]3C)CF)F
|
[C][#C][C][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][#Branch1][C][=Branch1][C][=O][C@H1][C][C@][Ring1][Ring1][Branch1][C][C][C][Branch1][C][F][F]
|
N13CCC2(CC2)C1.[C@H]17C[C@@]18C.C6C3=O.C#CC5.N456.C47=O.C8(F)F
|
COc1ccc(CN2CCN(S(=O)(=O)c3ccccc3Cl)[C@@H](CO)C2)c(OC)n1
|
COccccCNCCNS=O)=O)cccccc6Cl))))))))[C@@H]CO))C6)))))))cOC))n6
|
[C][O][C][=C][C][=C][Branch2][Ring1][P][C][N][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C@@H1][Branch1][Ring1][C][O][C][Ring2][Ring1][C][C][Branch1][Ring1][O][C][=N][Ring2][Ring1][O]
|
S7(=O)(=O)c1ccccc1Cl.c14ccc9c5n1.N16CCN7[C@@H]8C1.CO4.C69.C8O.O5C
|
CC(C)CO[C@@H](C)C(=O)N1CC(CNC(=O)c2cnc3sccn23)(C(C)(C)O)C1
|
CCC)CO[C@@H]C)C=O)NCCCNC=O)ccncsccn85)))))))))))CC)C)O))C4
|
[C][C][Branch1][C][C][C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][N][=C][S][C][=C][N][Ring1][Branch2][Ring1][Branch1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C][Ring2][Ring1][Ring2]
|
c19cnc2sccn12.N14CC%10%11C1.[C@H]7(C)C4=O.CC(C)C6.C%11(C)(C)O.C59=O.O67.C8%10.N58
|
C[C@@H]1C[C@]1(NC(=O)NC[C@H]1CCC(C)(C)c2ccccc21)c1cccs1
|
C[C@@H]C[C@]3NC=O)NC[C@H]CCCC)C)cccccc6%10))))))))))))))ccccs5
|
[C][C@@H1][C][C@][Ring1][Ring1][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][C@H1][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=C][C][=C][S][Ring1][Branch1]
|
C6[C@H]1CCC(C)(C)c2ccccc21.C[C@@H]1C[C@]157.c17cccs1.C34=O.N35.N46
|
O=C(NC[C@@H]1[C@@H](C2CC2)CCN1C(=O)c1cc2ccsc2[nH]1)c1ccncn1
|
O=CNC[C@@H][C@@H]CCC3)))CCN5C=O)cccccsc5[nH]8))))))))))))))))cccncn6
|
[O][=C][Branch2][Ring1][P][N][C][C@@H1][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][N][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][C][=C][S][C][=Ring1][Branch1][NH1][Ring1][Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1]
|
[C@@H]18[C@@H](C2CC2)CCN14.c17cc2ccsc2[nH]1.c16ccncn1.O=C36.C47=O.N35.C58
|
CC1(C)COC[C@H]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1CN(C(=O)[C@@H]1CCO1)C2
|
CCC)COC[C@H]5CC=O)N[C@@H]C[C@H]CC[C@@H]6CNC=O)[C@@H]CCO4)))))C7
|
[C][C][Branch1][C][C][C][O][C][C@H1][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C@@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][C][N][Branch1][O][C][=Branch1][C][=O][C@@H1][C][C][O][Ring1][Ring2][C][Ring1][=N]
|
[C@@H]15C[C@H]2CC[C@@H]1CN4C2.CC1(C)COC[C@H]17.C7C3=O.[C@@H]16CCO1.C46=O.N35
|
Cc1ncnc(NC2(C)CCC(NC(=O)C[C@H]3CC3(C)C)CC2)c1Br
|
CcncncNCC)CCCNC=O)C[C@H]CC3C)C)))))))CC6)))))))c6Br
|
[C][C][=N][C][=N][C][Branch2][Ring1][=C][N][C][Branch1][C][C][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][C@H1][C][C][Ring1][Ring1][Branch1][C][C][C][C][C][Ring1][S][=C][Ring2][Ring1][#Branch1][Br]
|
Cc1ncnc6c1Br.C15(C)CCC7CC1.[C@H]18CC1(C)C.C4(=O)C8.N56.N47
|
CCC(CC)n1ncc(C(=O)N[C@@](C)(CO)CNC(=O)[C@H]2CNC(=O)C2)c1C
|
CCCCC))nnccC=O)N[C@@]C)CO))CNC=O)[C@H]CNC=O)C5)))))))))))c5C
|
[C][C][C][Branch1][Ring1][C][C][N][N][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@@][Branch1][C][C][Branch1][Ring1][C][O][C][N][C][=Branch1][C][=O][C@H1][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][C]
|
n19ncc8c1C.[C@]5(C)(C6)CO.[C@H]17CNC(=O)C1.CCC9CC.C38=O.C47=O.N35.N46
|
CC(=O)NC[C@@H]1N(C(=O)c2ccc[n+]([O-])c2)CCCC1(C)C
|
CC=O)NC[C@@H]NC=O)cccc[n+][O-])c6)))))))CCCC6C)C
|
[C][C][=Branch1][C][=O][N][C][C@@H1][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][N+1][Branch1][C][O-1][=C][Ring1][#Branch1][C][C][C][C][Ring1][#C][Branch1][C][C][C]
|
[C@@H]17N4CCCC1(C)C.c16ccc[n+]([O-])c1.CC3=O.C46=O.N35.C57
|
CCc1nnc(N2C[C@H](NC(=O)[C@H](C)c3cccc(C)c3)CC23CCOCC3)o1
|
CCcnncNC[C@H]NC=O)[C@H]C)cccccC)c6)))))))))CC5CCOCC6))))))))))o5
|
[C][C][C][=N][N][=C][Branch2][Ring2][=Branch1][N][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Ring1][P][C][C][O][C][C][Ring1][=Branch1][O][Ring2][Ring1][O]
|
N15C[C@H]6CC12CCOCC2.c18cccc(C)c1.c17nnc5o1.C4(=O)[C@@H]8C.CC7.N46
|
O=C(Nc1cccc(-c2ccnc(C(F)(F)F)c2)n1)c1ccc2nc(O)[nH]c2c1
|
O=CNccccc-cccncCF)F)F))c6))))))n6)))))))ccccncO)[nH]c5c9
|
[O][=C][Branch2][Ring1][#C][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][Ring1][S][C][=C][C][=C][N][=C][Branch1][C][O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
c15ccc2nc(O)[nH]c2c1.c14cccc7n1.c17ccnc6c1.C6(F)(F)F.O=C35.N34
|
C=CC[C@@]1(C(=O)N2CC[C@]2(C)CC(=O)N2CC(OC(=N)O)C2)CCOC1
|
C=CC[C@@]C=O)NCC[C@]4C)CC=O)NCCOC=N)O)))C4)))))))))))CCOC5
|
[C][=C][C][C@@][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C@][Ring1][Ring2][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][#Branch1][O][C][=Branch1][C][=N][O][C][Ring1][Branch2][C][C][O][C][Ring2][Ring1][#Branch1]
|
[C@@]168CCOC1.N13CC[C@@]17C.N14CC5C1.C7C4=O.O5C(=N)O.C=CC8.C36=O
|
C#CCSCC(=O)NC[C@H](NC(=O)[C@H](CC(C)C)C(C)C)C(C)(C)C
|
C#CCSCC=O)NC[C@H]NC=O)[C@H]CCC)C)))CC)C)))))CC)C)C
|
[C][#C][C][S][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]
|
C2(=O)[C@H](CC(C)C)C(C)C.C3[C@H]4C(C)(C)C.C6C1=O.C#CC5.S56.N13.N24
|
Cc1c(CCC(=O)N[C@@H]2CCCCCN(C(=O)CN3CCC[C@H]3C)C2)cnn1C
|
CccCCC=O)N[C@@H]CCCCCNC=O)CNCCC[C@H]5C))))))))C8))))))))))))cnn5C
|
[C][C][=C][Branch2][Ring1][P][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][N][C][C][C][C@H1][Ring1][Branch1][C][C][Ring1][P][C][=N][N][Ring2][Ring1][O][C]
|
[C@@H]17CCCCCN5C1.Cc1c8cnn1C.N16CCC[C@H]1C.C8CC4=O.C5(=O)C6.N47
|
CC(=O)c1cncc(C(=O)NC[C@H](CC(C)C)NC(=O)c2ncc[nH]c2=O)c1
|
CC=O)ccnccC=O)NC[C@H]CCC)C)))NC=O)cncc[nH]c6=O)))))))))))))c6
|
[C][C][=Branch1][C][=O][C][=C][N][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=N][C][=C][NH1][C][Ring1][=Branch1][=O][=C][Ring2][Ring1][=Branch2]
|
c18cncc9c1.C5[C@@H]6CC(C)C.c17ncc[nH]c1=O.CC8=O.C39=O.C47=O.N35.N46
|
Cc1nn(C)c(F)c1C(=O)N[C@@H]1CN(C(=O)CCCN=[N+]=[N-])Cc2ccccc21
|
CcnnC)cF)c5C=O)N[C@@H]CNC=O)CCCN=[N+]=[N-])))))))Ccccccc6%10
|
[C][C][=N][N][Branch1][C][C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][N][=N+1][=N-1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C]
|
N3[C@@H]1CN4Cc2ccccc21.Cc1nn(C)c(F)c15.C4(=O)CCCN=[N+]=[N-].C35=O
|
CN(CCC(=O)N1C[C@H](NC(=O)CCn2cccn2)[C@@H](C2CC2)C1)CC(F)(F)F
|
CNCCC=O)NC[C@H]NC=O)CCncccn5)))))))))[C@@H]CCC3)))C5))))))))CCF)F)F
|
[C][N][Branch2][Ring2][=Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][N][C][=C][C][=N][Ring1][Branch1][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][C][C][C][Branch1][C][F][Branch1][C][F][F]
|
N13C[C@H](C2CC2)[C@@H]7C1.C5CC3=O.C4(=O)CC8.n18cccn1.C6C(F)(F)F.CN56.N47
|
C[C@@H]1CN(C(=O)C[C@@H]2CCOCC2(C)C)C[C@H]1NC(=O)CN(C)S(C)(=O)=O
|
C[C@@H]CNC=O)C[C@@H]CCOCC6C)C)))))))))C[C@H]5NC=O)CNC)SC)=O)=O
|
[C][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C@@H1][C][C][O][C][C][Ring1][=Branch1][Branch1][C][C][C][C][C@H1][Ring1][S][N][C][=Branch1][C][=O][C][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O]
|
[C@@H]18CCOCC1(C)C.C[C@@H]1CN3C[C@H]17.C3(=O)C8.C4(=O)C5.S6(C)(=O)=O.N56C.N47
|
CN(C)[C@@H](CNC(=O)[C@@H]1CC12CCCC2)C(=O)N1C[C@H]2CC[C@@H](C1)C(=O)N2
|
CNC)[C@@H]CNC=O)[C@@H]CC3CCCC5))))))))))C=O)NC[C@H]CC[C@@H]C7)C=O)N6
|
[C][N][Branch1][C][C][C@@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][Branch2]
|
N14C[C@H]2CC[C@@H](C1)C(=O)N2.[C@@H]17CC12CCCC2.[C@H]5(C6)C4=O.CN5C.C37=O.N36
|
C=CC[C@@H](NC(=O)c1cc(C)cc(O)n1)C(=O)NCC1CC(C(C)(C)C)C1
|
C=CC[C@@H]NC=O)cccC)ccO)n6))))))))C=O)NCCCCCC)C)C))C4
|
[C][=C][C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][O][=N][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2]
|
c16cc(C)cc(O)n1.C=CC[C@@H]4C3=O.C17CC8C1.C8(C)(C)C.C26=O.N24.N35.C57
|
COc1nc(C(=O)N(C)[C@H]2CN(C(=O)CCCn3cccc3)CC2(C)C)sc1C
|
COcncC=O)NC)[C@H]CNC=O)CCCncccc5)))))))))CC5C)C))))))))sc5C
|
[C][O][C][N][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][N][C][=C][C][=C][Ring1][Branch1][C][C][Ring1][#C][Branch1][C][C][C][S][C][=Ring2][Ring1][#Branch2][C]
|
[C@H]17CN5CC1(C)C.c16nc8sc1C.C5(=O)CCC9.n19cccc1.C48=O.N47C.CO6
|
CC[C@H](C(=O)N1CCOC2(CN(C(=O)c3cc(C)c(C)[nH]3)C2)C1)N(C)C
|
CC[C@H]C=O)NCCOCCNC=O)cccC)cC)[nH]5))))))C4)))C6)))))))NC)C
|
[C][C][C@H1][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][O][C][Branch2][Ring1][#Branch2][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][C][C][NH1][Ring1][#Branch1][C][Ring1][=N][C][Ring2][Ring1][C][N][Branch1][C][C][C]
|
N14CCOC2(C1)CN5C2.c17cc(C)c(C)[nH]1.CC[C@@H]6C4=O.C57=O.N6(C)C
|
C#CCCC[C@H](C)C(=O)N(C)CC(C)(C)NC(=O)[C@H](C)NC(=O)c1ccco1
|
C#CCCC[C@H]C)C=O)NC)CCC)C)NC=O)[C@H]C)NC=O)cccco5
|
[C][#C][C][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1]
|
C#CCCC[C@H](C)C2=O.C5C6(C)C.C3(=O)[C@@H]7C.c18ccco1.N25C.C48=O.N36.N47
|
CC(C)(C)O[C@@H]1CCCN(c2nc(NCC3[C@H]4COC[C@H]34)c3ncsc3n2)C1
|
CCC)C)O[C@@H]CCCNcncNCC[C@H]COC[C@H]65))))))))cncsc5n9)))))))))C6
|
[C][C][Branch1][C][C][Branch1][C][C][O][C@@H1][C][C][C][N][Branch2][Ring1][N][C][=N][C][Branch1][=N][N][C][C][C@H1][C][O][C][C@H1][Ring1][=Branch1][Ring1][Branch1][=C][N][=C][S][C][Ring1][Branch1][=N][Ring1][P][C][Ring2][Ring1][#Branch1]
|
c18nc9c2ncsc2n1.[C@@H]16CCCN8C1.C1%10[C@H]2COC[C@H]12.CC5(C)C.O56.N79.C7%10
|
CSCC[C@H](O)C(=O)NC[C@H]1C[C@H]2CC[C@H]1N(C(=O)[C@@H]1CCO[C@H]1C(F)(F)F)C2
|
CSCC[C@H]O)C=O)NC[C@H]C[C@H]CC[C@H]6NC=O)[C@@H]CCO[C@H]5CF)F)F))))))))C6
|
[C][S][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C@@H1][C][C][O][C@H1][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][P]
|
[C@H]19C[C@H]2CC[C@H]1N4C2.C6C[C@H](O)C3=O.[C@@H]17CCO[C@H]18.C8(F)(F)F.C47=O.CS6.N35.C59
|
CCc1c(Cl)nc(C)nc1N1CC2(CCN(C(=O)c3c(CO)noc3C)C2)C1
|
CCccCl)ncC)nc6NCCCCNC=O)ccCO))noc5C)))))))C5))))C4
|
[C][C][C][=C][Branch1][C][Cl][N][=C][Branch1][C][C][N][=C][Ring1][Branch2][N][C][C][Branch2][Ring1][=Branch2][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][Branch1][Ring1][C][O][=N][O][C][=Ring1][#Branch1][C][C][Ring1][#C][C][Ring2][Ring1][C]
|
c18c5nc(C)nc1Cl.N15CC2(CCN4C2)C1.c16c7noc1C.C46=O.CC8.C7O
|
C[C@@H]1C[C@H](NC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)CN1C(=O)C12CC(CO)(C1)O[C@@H]2C
|
C[C@@H]C[C@H]NC=O)[C@@H][C@@H]CCC=O)[C@@H]56))))))))CN5C=O)CCCCO))C4)O[C@@H]5C
|
[C][C@@H1][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][C@@H1][C][C][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][Ring1][#Branch1][C][N][Ring1][#C][C][=Branch1][C][=O][C][C][C][Branch1][Ring1][C][O][Branch1][Ring2][C][Ring1][=Branch1][O][C@@H1][Ring1][Branch2][C]
|
C128CC9(C1)O[C@@H]2C.C[C@@H]1C[C@H]6CN15.[C@@H]17[C@@H]2CCC(=O)[C@H]12.C47=O.C58=O.N46.C9O
|
CC=CCC(=O)N1CC[C@H](C2CC2)[C@H]1C(=O)N=c1cc2ccccn2[nH]1
|
CC=CCC=O)NCC[C@H]CCC3)))[C@H]5C=O)N=cccccccn6[nH]9
|
[C][C][=C][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C@H1][Ring1][Branch2][C][=Branch1][C][=O][N][=C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][NH1][Ring1][=Branch2]
|
C4(=O)N=c1cc2ccccn2[nH]1.N13CC[C@H](C2CC2)[C@H]14.C=5CC3=O.CC=5
|
O=C(N[C@@H]1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1ccc2c(c1)CCO2)C(=O)C1CC1
|
O=CN[C@@H]C[C@H]CCC[C@@H]C8)N6S=O)=O)cccccc6)CCO5))))))))))))))))))C=O)CCC3
|
[O][=C][Branch2][Ring2][#Branch1][N][C@@H1][C][C@H1][C][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Ring1]
|
S4(=O)(=O)c1ccc2c(c1)CCO2.[C@@H]15C[C@H]2CCC[C@@H](C1)N24.O=C3C6=O.C16CC1.N35
|
CC=CCC(=O)N(C)[C@@H]1CC[C@H](NC(=O)CCc2ccc(F)c3c2CCCC3)C1
|
CC=CCC=O)NC)[C@@H]CC[C@H]NC=O)CCccccF)cc6CCCC6))))))))))))))C5
|
[C][C][=C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][C][C@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][Branch1]
|
c19ccc(F)c2c1CCCC2.[C@@H]16CC[C@H]7C1.C=8CC4=O.C5(=O)CC9.N46C.CC=8.N57
|
CC[C@@]1(C(=O)Nc2cnn(C)c2C)CCCN1C(=O)CC[C@H]1CC1(C)C
|
CC[C@@]C=O)NccnnC)c5C))))))))CCCN5C=O)CC[C@H]CC3C)C
|
[C][C][C@@][Branch1][P][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][C][C][N][Ring1][#C][C][=Branch1][C][=O][C][C][C@H1][C][C][Ring1][Ring1][Branch1][C][C][C]
|
[C@@]167CCCN14.c15cnn(C)c1C.C4(=O)CC8.[C@H]18CC1(C)C.C36=O.CC7.N35
|
C#CC[C@H](CC(=O)N1CCC[C@@H](OC2CC2)C1)NC(=O)CN1C[C@H]2C[C@H]2C1
|
C#CC[C@H]CC=O)NCCC[C@@H]OCCC3))))C6))))))))NC=O)CNC[C@H]C[C@H]3C6
|
[C][#C][C][C@H1][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][#Branch1][O][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][C][C@H1][C][C@H1][Ring1][Ring1][C][Ring1][=Branch1]
|
C#CC[C@@H]7CC3=O.N13CCC[C@@H]5C1.N18C[C@H]2C[C@H]2C1.C4(=O)C8.C16CC1.O56.N47
|
C#CCOCCNC(=O)[C@@]12CC[C@@H](CN(C(=O)[C@@](C)(C#N)CC)C1)C2
|
C#CCOCCNC=O)[C@@]CC[C@@H]CNC=O)[C@@]C)C#N))CC))))C7)))C5
|
[C][#C][C][O][C][C][N][C][=Branch1][C][=O][C@@][C][C][C@@H1][Branch2][Ring1][=Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][Ring1][C][#N][C][C][C][Ring1][#C][C][Ring1][S]
|
[C@@]128CC[C@@H](CN4C1)C2.C4(=O)[C@@](C)(C#N)CC.C#CC5.C6C7.C38=O.O56.N37
|
C#CCOCCCNC(=O)C1CC2(CC(NC(=O)[C@@H]3CCCCO3)C2)C1
|
C#CCOCCCNC=O)CCCCCNC=O)[C@@H]CCCCO6))))))))C4)))C4
|
[C][#C][C][O][C][C][C][N][C][=Branch1][C][=O][C][C][C][Branch2][Ring1][Branch1][C][C][Branch1][=C][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][O][Ring1][=Branch1][C][Ring1][=N][C][Ring1][S]
|
C1%11CC2(CC9C2)C1.[C@@H]1%10CCCCO1.C7CC8.C#CC6.C4%11=O.C5%10=O.O67.N48.N59
|
Cc1coc(C(=O)NC[C@H](C)CC(=O)N[C@H](C)CN2CCCCC2)c1
|
CccocC=O)NC[C@H]C)CC=O)N[C@H]C)CNCCCCC6)))))))))))))))c5
|
[C][C][=C][O][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch2]
|
C5[C@H](C)CC4=O.Cc1coc8c1.N17CCCCC1.[C@@H]6(C)C7.C38=O.N35.N46
|
C=CCn1nnnc1[C@@H](Nc1ccc(Cl)c(C2CC2)c1)C1(COC)CCOCC1
|
C=CCnnnnc5[C@@H]NccccCl)cCCC3)))c6)))))))CCOC)))CCOCC6
|
[C][=C][C][N][N][=N][N][=C][Ring1][Branch1][C@@H1][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][#Branch2][C][Branch1][Ring2][C][O][C][C][C][O][C][C][Ring1][=Branch2]
|
c15ccc(Cl)c%10c1.C189CCOCC1.n16nnnc17.C=CC6.[C@@H]478.C1%10CC1.N45.C39.O3C
|
CC/C=C/CC(=O)NCCC(C)(C)NC(=O)c1cn2cc(Cl)cc(Cl)c2n1
|
CC/C=C/CC=O)NCCCC)C)NC=O)ccnccCl)ccCl)c6n9
|
[C][C][/C][=C][/C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][Ring1][Branch2][=N][Ring1][O]
|
c17cn2cc(Cl)cc(Cl)c2n1.C5CC6(C)C.C=8CC3=O.CCC=8.C47=O.N35.N46
|
COc1cc(F)c(C(=O)N[C@H]2COCCN(C(=O)[C@@H]3CCC(=O)O3)C2)cc1OC
|
COcccF)cC=O)N[C@H]COCCNC=O)[C@@H]CCC=O)O5))))))C7)))))))))cc6OC
|
[C][O][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@H1][C][O][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1][C][Ring1][#C][C][=C][Ring2][Ring1][=Branch2][O][C]
|
c16cc(F)c%10cc17.[C@H]18COCCN5C1.[C@@H]19CCC(=O)O1.C4%10=O.C59=O.CO6.N48.O7C
|
COCCCCCC(=O)N[C@@H]1CN(C(=O)c2cnc(C)cn2)[C@H]2CCC[C@H]12
|
COCCCCCC=O)N[C@@H]CNC=O)ccncC)cn6)))))))[C@H]CCC[C@H]85
|
[C][O][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C@H1][C][C][C][C@H1][Ring1][P][Ring1][Branch1]
|
[C@@H]16CN4[C@H]2CCC[C@H]12.C5CCCCC3=O.c17cnc(C)cn1.C47=O.CO5.N36
|
Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(CCNC(=O)C2=C[C@@H](C)CC2)CCC1
|
Cccc[N+]=O)[O-]))ccc6C=O)NCCCNC=O)C=C[C@@H]C)CC5)))))))))CCC4
|
[C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][C][=C][C@@H1][Branch1][C][C][C][C][Ring1][=Branch1][C][C][C][Ring1][#C]
|
Cc1cc([N+](=O)[O-])ccc17.C4(=O)C1=C[C@@H](C)CC1.C158CCC1.C37=O.C8C6.N35.N46
|
Cc1ccc(C(=O)NC(C)(C)C/C=C/C(=O)NOCC2(F)CCC2)cc1C#N
|
CccccC=O)NCC)C)C/C=C/C=O)NOCCF)CCC4))))))))))))))cc6C#N
|
[C][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][/C][=C][/C][=Branch1][C][=O][N][O][C][C][Branch1][C][F][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][C][#N]
|
Cc1ccc6cc1C#N.C5(C)(C)CC=7.C=7C(=O)NO4.C18(F)CCC1.C36=O.N35.C48
|
Cc1nc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C(F)F)[C@@H](c3ccccc3Cl)C2)co1
|
CcncC=O)NCCNC=O)[C@@H]C[C@@H]3CF)F))))))[C@@H]cccccc6Cl)))))))C6)))))))co5
|
[C][C][=N][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@@H1][C][C@@H1][Ring1][Ring1][C][Branch1][C][F][F][C@@H1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring2][Ring1][Branch1][=C][O][Ring2][Ring1][N]
|
N14CCN5[C@@H]9C1.c19ccccc1Cl.Cc1nc6co1.[C@@H]17C[C@@H]18.C46=O.C57=O.C8(F)F
|
CCCCC[C@@](C)(CC)C(=O)NCCCCCN(C)C(=O)CCc1cc(C)no1
|
CCCCC[C@@]C)CC))C=O)NCCCCCNC)C=O)CCcccC)no5
|
[C][C][C][C][C][C@@][Branch1][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1]
|
CCCCC[C@@](C)(CC)C2=O.C4CCCC5.c16cc(C)no1.C3(=O)CC6.N35C.N24
|
Cc1cc(C(=O)N2CCOC[C@H]2CNC(=O)C(C)(C)CF)cc(C)c1OC(F)F
|
CcccC=O)NCCOC[C@H]6CNC=O)CC)C)CF)))))))))))))ccC)c6OCF)F
|
[C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][O][C][C@H1][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][F][=C][C][Branch1][C][C][=C][Ring2][Ring1][Branch2][O][C][Branch1][C][F][F]
|
Cc1cc7cc(C)c15.N13CCOC[C@H]18.C4(=O)C(C)(C)CF.O5C(F)F.C37=O.C68.N46
|
CN(CC(=O)NCc1cccs1)S(=O)(=O)N1CCC2(CCCCC2)CC1
|
CNCC=O)NCccccs5)))))))))S=O)=O)NCCCCCCCC6)))))CC6
|
[C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][O]
|
CN4S(=O)(=O)N1CCC2(CCCCC2)CC1.c16cccs1.C4C3=O.N35.C56
|
COc1cc(CNC(=O)[C@@H](CCOCCO)NC(=O)COCCC(C)C)ncn1
|
COcccCNC=O)[C@@H]CCOCCO))))))NC=O)COCCCC)C))))))))))))ncn6
|
[C][O][C][=C][C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][O][C][C][O][N][C][=Branch1][C][=O][C][O][C][C][C][Branch1][C][C][C][=N][C][=N][Ring2][Ring1][O]
|
c19cc3ncn1.C2(=O)[C@H]%11CC5.C8CC(C)C.C4(=O)C7.C6CO.CO9.C%103.N2%10.O56.N4%11.O78
|
CCC[C@@H](C)CCCC(=O)N1CCN(C[C@H](C)NC(=O)c2nnn(C)n2)CC1
|
CCC[C@@H]C)CCCC=O)NCCNC[C@H]C)NC=O)cnnnC)n5)))))))))CC6
|
[C][C][C][C@@H1][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][C][Ring2][Ring1][C]
|
CCC[C@@H](C)CCCC3=O.N13CCN5CC1.c17nnn(C)n1.C5[C@@H]6C.C47=O.N46
|
C[C@H]1C[C@H](CCNC(=O)C2=CCSC2)CCN1C(=O)c1c[nH]c2cnccc12
|
C[C@H]C[C@H]CCNC=O)C=CCSC5)))))))))CCN6C=O)cc[nH]ccnccc96
|
[C][C@H1][C][C@H1][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][=C][C][S][C][Ring1][Branch1][C][C][N][Ring1][S][C][=Branch1][C][=O][C][=C][NH1][C][=C][N][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
c16c[nH]c2cnccc12.C[C@H]1C[C@H]7CCN14.C3(=O)C1=CCSC1.C7C5.C46=O.N35
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.