SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CCN(C(=O)Cc2cc(Br)cs2)C1
|
C=CC)CC)C)C=O)NC)C[C@@H]CCNC=O)CcccBr)cs5)))))))C5
|
[C][=C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][Br][=C][S][Ring1][=Branch1][C][Ring1][=C]
|
C=C(C)C(C)(C)C3=O.[C@@H]17CCN4C1.c16cc(Br)cs1.C4(=O)C6.N35C.C57
|
Cn1cc(CN2CC[C@H](O)C2)c(C(=O)NCC2CCN(CC#N)CC2)n1
|
CnccCNCC[C@H]O)C5))))))cC=O)NCCCCNCC#N)))CC6)))))))))n5
|
[C][N][C][=C][Branch1][N][C][N][C][C][C@H1][Branch1][C][O][C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][Ring2][C][C][#N][C][C][Ring1][=Branch2][=N][Ring2][Ring1][=Branch2]
|
Cn1cc9c7n1.C18CCN6CC1.N14CC[C@H](O)C1.C37=O.C6C#N.C49.N35.C58
|
C[C@@H](CN=c1cc[nH]cc1S(=O)(=O)N1CCSC1(C)C)S(C)(=O)=O
|
C[C@@H]CN=ccc[nH]cc6S=O)=O)NCCSC5C)C)))))))))))))))SC)=O)=O
|
[C][C@@H1][Branch2][Ring1][=N][C][N][=C][C][=C][NH1][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][S][C][Ring1][Branch1][Branch1][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O]
|
C[C@@H](CN=c1cc[nH]cc1S2(=O)=O)S(C)(=O)=O.N12CCSC1(C)C
|
CCC(=O)N[C@]1(CO)CCCN(C(=O)c2nnc3ccccc3c2N)C1
|
CCC=O)N[C@]CO))CCCNC=O)cnncccccc6c%10N))))))))))))C6
|
[C][C][C][=Branch1][C][=O][N][C@][Branch1][Ring1][C][O][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=N][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][Ring2][Ring1][Branch1]
|
c17nnc2ccccc2c1N.[C@@]168CCCN5C1.CCC4=O.C57=O.N46.C8O
|
Cc1ccc(C)c(C(=O)N2CC[C@H](NC(=O)[C@@H](n3ccnn3)C(C)(C)C)[C@H]2C)c1
|
CccccC)cC=O)NCC[C@H]NC=O)[C@@H]nccnn5)))))CC)C)C)))))[C@H]5C)))))))c6
|
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring2][Ring1][C][C][=C][Ring2][Ring1][N]
|
Cc1ccc(C)c7c1.C5(=O)[C@@H]8C(C)(C)C.N14CC[C@H]6[C@H]1C.n18ccnn1.C47=O.N56
|
CCC(=O)N[C@H](C)C(=O)N[C@@H](C)C1CC(NC(=O)CC2=CCOCC2)C1
|
CCC=O)N[C@H]C)C=O)N[C@@H]C)CCCNC=O)CC=CCOCC6)))))))))C4
|
[C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][O][C][C][Ring1][=Branch1][C][Ring1][=C]
|
C5(=O)CC1=CCOCC1.[C@@H]6(C)C4=O.C19CC8C1.CCC3=O.[C@@H]79C.N36.N47.N58
|
C[C@@H]1Cc2ccccc2N1[C@@H](C(=O)NCCCOCC1CC1)c1ccc(CO)o1
|
C[C@@H]Ccccccc6N9[C@@H]C=O)NCCCOCCCC3))))))))))ccccCO))o5
|
[C][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C@@H1][Branch1][S][C][=Branch1][C][=O][N][C][C][C][O][C][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][Ring1][C][O][O][Ring1][#Branch1]
|
C[C@@H]1Cc2ccccc2N16.c18ccc9o1.[C@@H]68C3=O.C7CC4.C1%10CC1.N37.O45.C5%10.C9O
|
C=C[C@H](C)[C@@H](C)C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(Br)n3c2CCC3)C1
|
C=C[C@H]C)[C@@H]C)C=O)NC[C@H]C[C@H]NC=O)cccBr)nc5CCC5))))))))))C4
|
[C][=C][C@H1][Branch1][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][Br][N][C][=Ring1][=Branch1][C][C][C][Ring1][Branch1][C][Ring1][S]
|
c18cc(Br)n2c1CCC2.C=C[C@H](C)[C@@H](C)C4=O.[C@H]19C[C@H]7C1.C58=O.N46.C69.N57
|
Cc1cccc(C(=O)NC(C)(C)C[C@H](F)C(=O)N(C)Cc2ncnn2C)n1
|
CcccccC=O)NCC)C)C[C@H]F)C=O)NC)Ccncnn5C))))))))))))))n6
|
[C][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][C][F][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][C][=N][N][Ring1][Branch1][C][=N][Ring2][Ring1][#Branch2]
|
C5(C)(C)C[C@H](F)C4=O.Cc1cccc7n1.c18ncnn1C.C37=O.N46C.N35.C68
|
C=CC[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)COCc1nccn1C
|
C=CC[C@H]C)C=O)N[C@@H]CCCC[C@H]6NC=O)COCcnccn5C
|
[C][=C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][C][=N][C][=C][N][Ring1][Branch1][C]
|
C=CC[C@H](C)C2=O.[C@@H]16CCCC[C@H]17.c18nccn1C.C3(=O)C4.N26.N37.O45.C58
|
Cc1csc(C(=O)N[C@@H]2CCN(C(=O)Cc3occc3C)CC2(C)C)c1
|
CccscC=O)N[C@@H]CCNC=O)Ccoccc5C))))))))CC6C)C)))))))))c5
|
[C][C][=C][S][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][O][C][=C][C][=Ring1][Branch1][C][C][C][Ring1][#C][Branch1][C][C][C][=C][Ring2][Ring1][=Branch2]
|
[C@@H]16CCN5CC1(C)C.Cc1csc7c1.c18occc1C.C5(=O)C8.C47=O.N46
|
CC(=O)CCN=C(NCc1cc(C)nc(N2CCCC2)n1)N[C@H](C)c1cccs1
|
CC=O)CCN=CNCcccC)ncNCCCC5)))))n6))))))))N[C@H]C)ccccs5
|
[C][C][=Branch1][C][=O][C][C][N][=C][Branch2][Ring1][#Branch1][N][C][C][=C][C][Branch1][C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][N][N][C@H1][Branch1][C][C][C][=C][C][=C][S][Ring1][Branch1]
|
CC(=O)CCN=C(N3)N4.c16cc(C)nc5n1.N15CCCC1.c17cccs1.[C@H]47C.C36
|
CC[C@@H]1COCCN1CCN[C@H](C)c1sc(-c2ccc(C)cc2)nc1C
|
CC[C@@H]COCCN6CCN[C@H]C)csc-ccccC)cc6))))))nc5C
|
[C][C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][C][N][C@H1][Branch1][C][C][C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][=Ring1][N][C]
|
[C@@H]16COCCN13.c17sc8nc1C.c18ccc(C)cc1.C3C4.[C@H]57C.CC6.N45
|
CO[C@H](C)c1nc(C(=O)NC[C@@](C)(NC(=O)COCC(C)(C)C)C2CC2)cs1
|
CO[C@H]C)cncC=O)NC[C@@]C)NC=O)COCCC)C)C)))))))CCC3)))))))cs5
|
[C][O][C@H1][Branch1][C][C][C][=N][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][Ring1][=C][S][Ring2][Ring1][Branch2]
|
c1%12nc%11cs1.C9[C@@]%104C.C8C(C)(C)C.C5(=O)C7.[C@H]6%12C.C3%11=O.C14CC1.CO6.N39.N5%10.O78
|
O=C(NCc1ccccc1)[C@@H]1C[C@H]1C(=O)Nc1c(Br)cnc(Cl)c1[N+](=O)[O-]
|
O=CNCcccccc6))))))))[C@@H]C[C@H]3C=O)NccBr)cncCl)c6[N+]=O)[O-]
|
[O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][Branch1][C][Br][C][=N][C][Branch1][C][Cl][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1]
|
c15c(Br)cnc(Cl)c1[N+](=O)[O-].c18ccccc1.[C@@H]16C[C@H]17.O=C26.C37=O.N24.C48.N35
|
Cc1cc(C)c(C(=O)NCCNC(=O)C2=C[C@@H]3CCCCC[C@H]23)o1
|
CcccC)cC=O)NCCNC=O)C=C[C@@H]CCCCC[C@H]97)))))))))))))))o5
|
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C@@H1][C][C][C][C][C][C@H1][Ring1][=Branch2][Ring1][#Branch1][O][Ring2][Ring1][#Branch1]
|
C5(=O)C1=C[C@@H]2CCCCC[C@H]12.Cc1cc(C)c8o1.C48=O.C6C7.N46.N57
|
CCS(=O)(=O)Nc1cccc(C(=O)NCCC2(NC(=O)[C@@H]3COCCO3)CC2)c1
|
CCS=O)=O)NcccccC=O)NCCCNC=O)[C@@H]COCCO6))))))))CC3)))))))c6
|
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C@@H1][C][O][C][C][O][Ring1][=Branch1][C][C][Ring1][N][=C][Ring2][Ring1][#Branch1]
|
c19cccc%11c1.[C@@H]1%10COCCO1.CCS8(=O)=O.C17%12CC1.C4%11=O.C6C%12.C5%10=O.N89.N46.N57
|
N#Cc1nc[nH]c1NC(=O)[C@@H]1COC2(CCN(C(=O)c3ncccc3F)CC2)C1
|
N#Ccnc[nH]c5NC=O)[C@@H]COCCCNC=O)cncccc6F))))))))CC6)))))C5
|
[N][#C][C][N][=C][NH1][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][C][O][C][Branch2][Ring1][#Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C][C][Ring2][Ring1][Ring1]
|
[C@@H]18COC2(CCN5CC2)C1.N#Cc1nc[nH]c16.c17ncccc1F.C48=O.C57=O.N46
|
COC[C@]1(C(=O)N2CCC[C@](C)(O)C2)C=CCN1C(=O)C1=C(C)CCC1
|
COC[C@]C=O)NCCC[C@]C)O)C6)))))))C=CCN5C=O)C=CC)CCC5
|
[C][O][C][C@][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C@][Branch1][C][C][Branch1][C][O][C][Ring1][Branch2][C][=C][C][N][Ring1][#C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][C][C][Ring1][=Branch1]
|
N13CCC[C@](C)(O)C1.C4(=O)C1=C(C)CCC1.[C@]167C=CCN14.C36=O.CO5.C57
|
CCCN(C)CC(=O)N1C[C@H](C)CN(C(=O)c2[nH]nnc2COC)C[C@@H]1C
|
CCCNC)CC=O)NC[C@H]C)CNC=O)c[nH]nnc5COC)))))))))C[C@@H]7C
|
[C][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][NH1][N][=N][C][=Ring1][Branch1][C][O][C][C][C@@H1][Ring2][Ring1][C][C]
|
N13C[C@H](C)CN4C[C@@H]1C.c18[nH]nnc19.C7C3=O.CCC6.N67C.C48=O.C59.O5C
|
CC(C)C[C@@H](O)CNC(=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CCN=[N+]=[N-])CC1
|
CCC)C[C@@H]O)CNC=O)CC[C@H]CC[C@@H]C7)N5C=O)CCCN=[N+]=[N-])))))CC3
|
[C][C][Branch1][C][C][C][C@@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][N][=N+1][=N-1][C][C][Ring1][Branch2]
|
C16C[C@H]2CC[C@@H](C1)N24.CC(C)C[C@@H](O)C5.C8CN=[N+]=[N-].C178CC1.C36=O.C47=O.N35
|
Cc1nonc1CC(=O)N[C@H]1CCCC[C@H]1NC(=O)[C@@]12CC[C@@H](C1)S(=O)(=O)CC2
|
Ccnonc5CC=O)N[C@H]CCCC[C@H]6NC=O)[C@@]CC[C@@H]C5)S=O)=O)CC7
|
[C][C][=N][O][N][=C][Ring1][Branch1][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@@H1][Branch1][Ring2][C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][#Branch2]
|
[C@@]127CC[C@@H](C1)S(=O)(=O)CC2.[C@H]15CCCC[C@H]16.Cc1nonc18.C8C3=O.C47=O.N35.N46
|
C[C@](O)(CNC(=O)c1ncccc1C1CC1)CNC(=O)[C@](F)(Cl)c1ccccc1
|
C[C@]O)CNC=O)cncccc6CCC3))))))))))))CNC=O)[C@]F)Cl)cccccc6
|
[C][C@][Branch1][C][O][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][N][C][=Branch1][C][=O][C@][Branch1][C][F][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
c16ncccc18.C[C@](O)(C4)C5.C3(=O)[C@]7(F)Cl.c17ccccc1.C26=O.C18CC1.N24.N35
|
C[C@H](CCCNC(=O)[C@](C)(O)C1CC1)NC(=O)C(N)=O
|
C[C@H]CCCNC=O)[C@]C)O)CCC3)))))))))NC=O)CN)=O
|
[C][C@H1][Branch2][Ring1][Branch1][C][C][C][N][C][=Branch1][C][=O][C@][Branch1][C][C][Branch1][C][O][C][C][C][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][N][=O]
|
C[C@@H]4CCC5.C2(=O)[C@]6(C)O.C3(=O)C(N)=O.C16CC1.N25.N34
|
O=CNCC(=O)N1C[C@@H]2[C@H](C1)[C@H]2C(=O)N[C@@H]1CCC(F)(F)C1
|
O=CNCC=O)NC[C@@H][C@H]C5)[C@H]3C=O)N[C@@H]CCCF)F)C5
|
[O][=C][N][C][C][=Branch1][C][=O][N][C][C@@H1][C@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][Ring2][C][=Branch1][C][=O][N][C@@H1][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1]
|
N13C[C@@H]2[C@@H]7[C@@H]2C1.[C@@H]16CCC(F)(F)C1.C5C3=O.O=CN5.C47=O.N46
|
CCC(CC)C[C@H](F)C(=O)N1CC2(CC(CC(=O)NC[C@H](OC)C(C)(C)C)C2)C1
|
CCCCC))C[C@H]F)C=O)NCCCCCC=O)NC[C@H]OC))CC)C)C)))))))C4)))C4
|
[C][C][C][Branch1][Ring1][C][C][C][C@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=N][C][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][Ring1][O][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][S][C][Ring2][Ring1][Ring1]
|
CCC(CC)C[C@H](F)C3=O.N13CC2(CC7C2)C1.C6[C@H]5C(C)(C)C.C7C4=O.N46.O5C
|
CC1(C(=O)N2C[C@@H]3[C@H](C2)[C@H]3NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1
|
CCC=O)NC[C@@H][C@H]C5)[C@H]3NC=O)C=CNCCS=O)=O)N=C6C=C%10))))))))))))))))))CC3
|
[C][C][Branch2][Ring2][#Branch2][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][=C][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][=C][Ring1][Branch2][C][=C][Ring1][N][C][C][Ring2][Ring1][#Branch2]
|
C5(=O)C1=CN2CCS(=O)(=O)N=C2C=C1.N14C[C@@H]2[C@@H]6[C@@H]2C1.CC17CC1.C47=O.N56
|
C=CC1(CN[C@@H](c2nnnn2C(C)C)C(C)(C)C=C=C(C)C)CCC1
|
C=CCCN[C@@H]cnnnn5CC)C)))))))CC)C)C=C=CC)C))))))))CCC4
|
[C][=C][C][Branch2][Ring1][S][C][N][C@@H1][Branch1][=N][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][=C][Branch1][C][C][C][C][C][C][Ring2][Ring1][#Branch1]
|
[C@H]46C(C)(C)C=C=C(C)C.C=CC17CCC1.c16nnnn15.C5(C)C.C37.N34
|
O=C(CCc1ccc(Cl)nc1)N1CCC2(CCCN2C(=O)Cc2nncs2)CC1
|
O=CCCccccCl)nc6))))))))NCCCCCCN5C=O)Ccnncs5)))))))))))CC6
|
[O][=C][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][N][C][C][C][Branch2][Ring1][Ring1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=N][N][=C][S][Ring1][Branch1][C][C][Ring2][Ring1][C]
|
N13CCC2(CCCN24)CC1.c16ccc(Cl)nc1.O=C3CC6.c15nncs1.C4(=O)C5
|
CCOCCO[C@@H](C)C(=O)N[C@@H]1CC=C(C(=O)N[C@H]2C[C@H](CO)C2)C1
|
CCOCCO[C@@H]C)C=O)N[C@@H]CC=CC=O)N[C@H]C[C@H]CO))C4))))))C5
|
[C][C][O][C][C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch1][Ring1][C][O][C][Ring1][=Branch1][C][Ring1][=C]
|
[C@@H]19CC=C(C4=O)C1.[C@H]8(C)C3=O.[C@H]1%10C[C@H]%11C1.C6C7.CC5.O56.O78.N39.N4%10.C%11O
|
COCc1ccccc1C(=O)N1CCC[C@H]1CN(C)C(=O)c1ccoc1C
|
COCcccccc6C=O)NCCC[C@H]5CNC)C=O)cccoc5C
|
[C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C]
|
c19ccccc16.N12CCC[C@H]18.c17ccoc1C.C26=O.N35C.C37=O.CO4.C49.C58
|
Cc1cccc([C@H](CNC(=O)CSCc2cccs2)NC(=O)C=C2CC2)c1
|
Cccccc[C@H]CNC=O)CSCccccs5)))))))))))NC=O)C=CCC3)))))))c6
|
[C][C][=C][C][=C][C][Branch2][Ring1][#C][C@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][S][C][C][=C][C][=C][S][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][C][Ring1][Ring1][=C][Ring2][Ring1][#Branch2]
|
Cc1cccc%11c1.c1%10cccs1.[C@@H]5%11C6.C3(=O)C7.C4(=O)C=9.C1=9CC1.N36.S78.C8%10.N45
|
C[C@]1(C(=O)OCc2cc(Br)cs2)Cc2cccc(Cl)c21
|
C[C@]C=O)OCcccBr)cs5))))))))CcccccCl)c68
|
[C][C@][Branch1][P][C][=Branch1][C][=O][O][C][C][=C][C][Branch1][C][Br][=C][S][Ring1][=Branch1][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Ring2][Ring1][Ring1]
|
C[C@]1(C3=O)Cc2cccc(Cl)c21.c15cc(Br)cs1.O34.C45
|
COCOc1cccc(-c2cccc([C@@H]3C[C@@H]3C(=O)Nc3ccc(F)nc3)c2)c1
|
COCOccccc-ccccc[C@@H]C[C@@H]3C=O)NccccF)nc6)))))))))))c6))))))c6
|
[C][O][C][O][C][=C][C][=C][C][Branch2][Ring2][C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C@@H1][C][C@@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=Branch2]
|
c15cccc9c1.c19cccc8c1.c16ccc(F)nc1.COCO5.[C@@H]18C[C@@H]17.C47=O.N46
|
CC[C@H](C(=O)NC[C@H](C)N(C)C(=O)c1cc2c(F)cccc2s1)c1ccccc1
|
CC[C@H]C=O)NC[C@H]C)NC)C=O)ccccF)cccc6s9)))))))))))))))cccccc6
|
[C][C][C@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
c17cc2c(F)cccc2s1.CC[C@@H]8C3=O.c18ccccc1.C5[C@@H]6C.N46C.C47=O.N35
|
CCS[C@@H](C(=O)N1CCC(=CCNC(=O)c2cnn(C)c2CC)CC1)C(C)C
|
CCS[C@@H]C=O)NCCC=CCNC=O)ccnnC)c5CC)))))))))))CC6)))))))CC)C
|
[C][C][S][C@@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C][=Branch2][Ring1][Ring2][=C][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][C][C][Ring2][Ring1][Ring1][C][Branch1][C][C][C]
|
[C@H]7(C3=O)C(C)C.N13CCC=9CC1.c18cnn(C)c1%10.C=9C5.C48=O.CC6.S67.N45.C%10C
|
CCC(=O)N1C[C@@H](NC(=O)c2cnn3c(C)cccc23)CC12CCOCC2
|
CCC=O)NC[C@@H]NC=O)ccnncC)cccc96)))))))))))CC5CCOCC6
|
[C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][C][C][=C][C][=C][C][=Ring1][#Branch2][Ring1][#Branch1][C][C][Ring2][Ring1][C][C][C][O][C][C][Ring1][=Branch1]
|
N14C[C@@H]6CC12CCOCC2.c17cnn2c(C)cccc12.CCC4=O.C57=O.N56
|
COc1c(C(=O)NC2CC(N(C)C(=O)c3cccc4sccc34)C2)c(C)nn1C
|
COccC=O)NCCCNC)C=O)cccccsccc95)))))))))))C4))))))cC)nn5C
|
[C][O][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][Ring1][P][C][Branch1][C][C][=N][N][Ring2][Ring1][#Branch2][C]
|
c1%11cccc2sccc12.c17c%10c(C)nn1C.C18CC9C1.C5%10=O.N69C.C6%11=O.CO7.N58
|
C[C@H]1COc2c(C(=O)N[C@@H]3COC4(C3)CN(C(=O)c3coc(Cl)c3)C4)cccc21
|
C[C@H]COccC=O)N[C@@H]COCC5)CNC=O)ccocCl)c5))))))C4)))))))))cccc69
|
[C][C@H1][C][O][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@@H1][C][O][C][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][O][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][Ring1][=N][C][=C][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][N]
|
C[C@H]1COc2c8cccc21.[C@@H]17COC2(C1)CN6C2.c19coc(Cl)c1.C58=O.C69=O.N57
|
COCC1(NC(=O)c2ccccc2)CCN(C(=O)[C@H]2CC=CCO2)CC1
|
COCCNC=O)cccccc6))))))))CCNC=O)[C@H]CC=CCO6)))))))CC6
|
[C][O][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C@H1][C][C][=C][C][O][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch1]
|
C169CCN4CC1.c18ccccc1.[C@H]17CC=CCO1.C38=O.C47=O.CO5.C59.N36
|
Cc1ncc(C(=O)NCC2(CNC(=O)[C@@H]3CCS(=O)(=O)C3(C)C)CCC2)o1
|
CcnccC=O)NCCCNC=O)[C@@H]CCS=O)=O)C5C)C)))))))))CCC4)))))))o5
|
[C][C][=N][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C@@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][Branch1][C][C][C][C][C][C][Ring1][P][O][Ring2][Ring1][#Branch2]
|
[C@@H]19CCS(=O)(=O)C1(C)C.Cc1ncc8o1.C1%10%11CCC1.C48=O.C59=O.N46.C6%10.C7%11.N57
|
COc1ccc(CN2C(=O)CCN(CCc3ccc(C)cc3)C2=O)c(OC)n1
|
COccccCNC=O)CCNCCccccC)cc6))))))))C6=O))))))))cOC))n6
|
[C][O][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][C][N][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][S][=O][C][Branch1][Ring1][O][C][=N][Ring2][Ring1][#Branch2]
|
N16C(=O)CCN7C1=O.c14ccc8c5n1.c19ccc(C)cc1.C7C9.CO4.C68.O5C
|
CCC[C@@H](CCCNC(=O)C1=NNC(=O)CC1)NC(=O)[C@]1(C)CCCCNC1=O
|
CCC[C@@H]CCCNC=O)C=NNC=O)CC6)))))))))))NC=O)[C@]C)CCCCNC7=O
|
[C][C][C][C@@H1][Branch2][Ring1][Ring2][C][C][C][N][C][=Branch1][C][=O][C][=N][N][C][=Branch1][C][=O][C][C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][C][N][C][Ring1][Branch2][=O]
|
C2(=O)C1=NNC(=O)CC1.[C@@]16(C)CCCCNC1=O.CCC[C@H]4CCC5.C36=O.N25.N34
|
CCCCCCNC(=O)[C@@H]([C@H](OCC)C1CCCC1)N1CCC2(CC1)CC(O)C2
|
CCCCCCNC=O)[C@@H][C@H]OCC)))CCCCC5))))))NCCCCC6))CCO)C4
|
[C][C][C][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=C][C@H1][Branch1][Ring2][O][C][C][C][C][C][C][C][Ring1][Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Branch1][C][O][C][Ring1][#Branch1]
|
N17CCC2(CC1)CC(O)C2.C3(=O)[C@H]7[C@H]48.CCCCCC6.C18CCCC1.N36.O45.C5C
|
Cc1oc(Br)cc1C(=O)NC(C)CCCNC(=O)CNC=O
|
CcocBr)cc5C=O)NCC)CCCNC=O)CNC=O
|
[C][C][O][C][Branch1][C][Br][=C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][N][C][=O]
|
Cc1oc(Br)cc17.C4(C)CCC5.C3(=O)C6.C27=O.N6C=O.N24.N35
|
CCO[C@H](c1ccc(Cl)cc1Cl)[C@@H](C)NC(=O)NCCCc1ccc(F)cc1F
|
CCO[C@H]ccccCl)cc6Cl)))))))[C@@H]C)NC=O)NCCCccccF)cc6F
|
[C][C][O][C@H1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]
|
c18ccc(Cl)cc1Cl.c19ccc(F)cc1F.[C@@H]58[C@H]6C.C7CC9.C23=O.CC4.O45.N26.N37
|
C[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CC3(CC3)CN2C(=O)c2cc(C(N)=O)no2)O1
|
C[C@@H]CC[C@@H]C=O)NC[C@@H]CCCC3))CN5C=O)cccCN)=O))no5))))))))))))))O5
|
[C][C@@H1][C][C][C@@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][O][Ring1][Branch2][O][Ring2][Ring1][#Branch2]
|
[C@@H]1%10CC2(CC2)CN15.C[C@@H]1CC[C@@H]7O1.c18cc9no1.C47=O.C58=O.C9(N)=O.N46.C6%10
|
CCC(CC)C(=O)N[C@H]1CCN(C(=O)Cc2cnn3c2OCCC3)[C@H](C)C1
|
CCCCC))C=O)N[C@H]CCNC=O)Cccnnc5OCCC6)))))))))))[C@H]C)C6
|
[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][=N][N][C][=Ring1][Branch1][O][C][C][C][Ring1][=Branch1][C@H1][Branch1][C][C][C][Ring2][Ring1][Ring1]
|
c17cnn2c1OCCC2.[C@H]16CCN5[C@H](C)C1.CCC(CC)C4=O.C5(=O)C7.N46
|
CC(C)C[C@@H](CNC(=O)c1ccc(O)cc1)NC(=O)c1ccoc1CC(N)=O
|
CCC)C[C@@H]CNC=O)ccccO)cc6)))))))))NC=O)cccoc5CCN)=O
|
[C][C][Branch1][C][C][C][C@@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][Branch1][C][N][=O]
|
CC(C)C[C@H]4C5.c16ccc(O)cc1.c17ccoc18.C8C(N)=O.C26=O.C37=O.N25.N34
|
CC[C@@H](O)C(=O)N1CCC2(CC1)CN(C(=O)CN1CCN(CC)C(=O)C1=O)C2
|
CC[C@@H]O)C=O)NCCCCC6))CNC=O)CNCCNCC))C=O)C6=O)))))))))C4
|
[C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch2][=O][C][Ring2][Ring1][Ring1]
|
N13CCC2(CC1)CN4C2.N15CCN6C(=O)C1=O.CC[C@@H](O)C3=O.C4(=O)C5.C6C
|
CC(C)(C#CC(=O)N1CC(N2CCCC2=O)C1)CNC(=O)COCc1nc[nH]n1
|
CCC)C#CC=O)NCCNCCCC5=O))))))C4)))))))CNC=O)COCcnc[nH]n5
|
[C][C][Branch1][C][C][Branch2][Ring1][#Branch1][C][#C][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][O][C][C][N][=C][NH1][N][=Ring1][Branch1]
|
CC(C)(C#CC3=O)C7.N19CCCC1=O.N13CC9C1.c18nc[nH]n1.C4(=O)C5.N47.O56.C68
|
CC[C@@H](O)[C@H](C)C(=O)N[C@H](CNC(=O)/C=C/c1cccc(Br)c1)C1CC1
|
CC[C@@H]O)[C@H]C)C=O)N[C@H]CNC=O)/C=C/cccccBr)c6)))))))))))CCC3
|
[C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1]
|
CC[C@@H](O)[C@H](C)C2=O.C=6c1cccc(Br)c1.[C@H]47C5.C3(=O)C=6.C17CC1.N24.N35
|
CCC[C@](C)(O)CC(=O)N1CC(C)(NC(=O)C[C@H]2COc3cc(OC)ccc32)C1
|
CCC[C@]C)O)CC=O)NCCC)NC=O)C[C@H]COcccOC))ccc69))))))))))))C4
|
[C][C][C][C@][Branch1][C][C][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C@H1][C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][Ring1][O][C][Ring2][Ring1][Ring2]
|
C5(=O)C[C@H]1COc2cc6ccc21.CCC[C@](C)(O)CC4=O.N14CC7(C)C1.N57.O6C
|
C#CC[C@H](NC(=O)[C@H](CNC(=O)c1[nH]nnc1CC)C(C)(C)C)C(=O)OC
|
C#CC[C@H]NC=O)[C@H]CNC=O)c[nH]nnc5CC))))))))))CC)C)C)))))C=O)OC
|
[C][#C][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][N][C][=Branch1][C][=O][C][NH1][N][=N][C][=Ring1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C]
|
C3(=O)[C@H](C6)C(C)(C)C.C#CC[C@H]5C2=O.c17[nH]nnc18.C47=O.N35.N46.C8C.O2C
|
COc1ccc([C@@H](O)CNC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)cc1OC
|
COcccc[C@@H]O)CNC=O)[C@H]CCCN5C=O)Cccccs5))))))))))))))))cc6OC
|
[C][O][C][=C][C][=C][Branch2][Ring1][=C][C@@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][O][C]
|
c15ccc%10cc16.[C@H]18CCCN14.c19cccs1.[C@H]%10(O)C7.C4(=O)C9.C38=O.CO5.N37.O6C
|
CC(C)[C@H](O)C(=O)N[C@H]1CCC[C@@H](NC(=O)C2(NC(=O)OC(C)(C)C)CC2)C1
|
CCC)[C@H]O)C=O)N[C@H]CCC[C@@H]NC=O)CNC=O)OCC)C)C)))))CC3)))))C6
|
[C][C][Branch1][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C@H1][C][C][C][C@@H1][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][O][C][Ring2][Ring1][Ring2]
|
CC(C)[C@H](O)C4=O.[C@H]19CCC[C@@H]%10C1.C18%11CC1.C7(C)(C)C.C5%11=O.C36=O.N49.N5%10.N68.O37
|
CCN1CCN(C(=O)CC[C@@H](NC(=O)[C@@H]2CCO2)C(C)C)CC1(C)C
|
CCNCCNC=O)CC[C@@H]NC=O)[C@@H]CCO4))))))CC)C))))))CC6C)C
|
[C][C][N][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][C@@H1][Branch1][N][N][C][=Branch1][C][=O][C@@H1][C][C][O][Ring1][Ring2][C][Branch1][C][C][C][C][C][Ring2][Ring1][Branch1][Branch1][C][C][C]
|
N15CCN3CC1(C)C.C3(=O)CC[C@@H]6C(C)C.[C@@H]17CCO1.C47=O.CC5.N46
|
COc1ccc(C(=O)NC[C@@H]2CC[C@H]2NC(=O)[C@@H](C)Sc2ccccn2)s1
|
COccccC=O)NC[C@@H]CC[C@H]4NC=O)[C@@H]C)Scccccn6)))))))))))))))))s5
|
[C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring2][Ring1][=Branch2]
|
c15ccc9s1.c1%11ccccn1.[C@@H]1%10CC[C@H]18.C4(=O)[C@H]7C.C39=O.CO5.N36.C6%10.N48.S7%11
|
C=CCCCCC(=O)N1CCC(N(C)C(=O)c2cc(F)c(C(F)F)cc2F)CC1
|
C=CCCCCC=O)NCCCNC)C=O)cccF)cCF)F))cc6F)))))))))CC6
|
[C][=C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][N][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][=Branch1][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][F][C][C][Ring2][Ring1][Branch1]
|
c16cc(F)c7cc1F.C=CCCCCC3=O.N13CCC5CC1.N45C.C46=O.C7(F)F
|
CC(C)[C@H](N)CCN(C)Cc1cnn(C(C)C)c1C1CC1
|
CCC)[C@H]N)CCNC)CccnnCC)C))c5CCC3
|
[C][C][Branch1][C][C][C@H1][Branch1][C][N][C][C][N][Branch1][C][C][C][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring1][Branch2][C][C][C][Ring1][Ring1]
|
CC(C)[C@H](N)CC2.c15cnn4c16.N23C.C4(C)C.C16CC1.C35
|
CC(C)[C@@H](CC(=O)N1CCCN(C=O)CC1)NC(=O)Cn1ncnn1
|
CCC)[C@@H]CC=O)NCCCNC=O))CC7)))))))))NC=O)Cnncnn5
|
[C][C][Branch1][C][C][C@@H1][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][Ring1][C][=O][C][C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][N][=C][N][=N][Ring1][Branch1]
|
N12CCCN(C=O)CC1.CC(C)[C@H]4CC2=O.n15ncnn1.C3(=O)C5.N34
|
COC[C@H](O)C(=O)N1CC[C@@H](C2CCN(C(=O)Cc3cnco3)CC2)C1
|
COC[C@H]O)C=O)NCC[C@@H]CCCNC=O)Cccnco5)))))))CC6))))))C5
|
[C][O][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][N][=C][O][Ring1][Branch1][C][C][Ring1][=C][C][Ring2][Ring1][Ring1]
|
N14CC[C@@H](C2CCN5CC2)C1.C6[C@H](O)C4=O.c17cnco1.C5(=O)C7.CO6
|
Cc1cc(C(=O)N[C@H]2C[C@@H](CCC(=O)N3CCC(F)(F)C[C@@H]3C)C2)cn1C
|
CcccC=O)N[C@H]C[C@@H]CCC=O)NCCCF)F)C[C@@H]6C))))))))))C4))))))cn5C
|
[C][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch2][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][C][F][C][C@@H1][Ring1][Branch2][C][C][Ring1][P][=C][N][Ring2][Ring1][=Branch2][C]
|
N15CCC(F)(F)C[C@@H]1C.Cc1cc7cn1C.[C@H]16C[C@@H]8C1.C8CC5=O.C47=O.N46
|
C#CCN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cscc2OC)CC1=O
|
C#CCNCCNC=O)[C@@H]CCCN5C=O)ccscc5OC))))))))))))))CC6=O
|
[C][#C][C][N][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][S][C][=C][Ring1][Branch1][O][C][C][C][Ring2][Ring1][=Branch1][=O]
|
N18CCN3CC1=O.[C@@H]16CCCN14.c17cscc15.C#CC8.C36=O.C47=O.O5C
|
O=C(CC(F)(F)c1ccc([N+](=O)[O-])cc1)Nc1ccnn1C[C@@H]1CCOC1
|
O=CCCF)F)cccc[N+]=O)[O-]))cc6))))))))Ncccnn5C[C@@H]CCOC5
|
[O][=C][Branch2][Ring1][Branch2][C][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][C][=C][C][=N][N][Ring1][Branch1][C][C@@H1][C][C][O][C][Ring1][Branch1]
|
c16ccc([N+](=O)[O-])cc1.O=C2CC6(F)F.c13ccnn14.[C@@H]15CCOC1.N23.C45
|
CC[C@@H](C(=O)N(C)CC1C(C)(C)C1(C)C)N(C)C(=O)C=C(C)C(F)F
|
CC[C@@H]C=O)NC)CCCC)C)C3C)C)))))))NC)C=O)C=CC)CF)F
|
[C][C][C@@H1][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch1][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][C][F][F]
|
C17C(C)(C)C1(C)C.CC[C@H]4C2=O.C=6(C)C(F)F.C3(=O)C=6.N25C.N34C.C57
|
CN(CCF)C(=O)C[C@H](O)CNC(=O)Cc1cnns1
|
CNCCF)))C=O)C[C@H]O)CNC=O)Cccnns5
|
[C][N][Branch1][Ring2][C][C][F][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][=C][N][=N][S][Ring1][Branch1]
|
C2(=O)C[C@H](O)C5.c16cnns1.C3(=O)C6.CN24.C4CF.N35
|
CCO[C@@H](C)CCC(=O)N1C[C@H]2C[C@@]2(C(=O)NC[C@@H](C)CC2CC2)C1
|
CCO[C@@H]C)CCC=O)NC[C@H]C[C@@]3C=O)NC[C@@H]C)CCCC3))))))))C6
|
[C][C][O][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C@@][Ring1][Ring1][Branch1][P][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][C][C][C][C][Ring1][Ring1][C][Ring1][S]
|
[C@H]6(C)CCC3=O.N13C[C@H]2C[C@@]28C1.C7[C@@H](C)C9.C48=O.C19CC1.CC5.O56.N47
|
Cc1oc2cc(F)ccc2c1CCN[C@@H](Cc1nn[nH]n1)c1ccccc1O
|
CcocccF)ccc6c9CCN[C@@H]Ccnn[nH]n5))))))cccccc6O
|
[C][C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][C][N][C@@H1][Branch1][=Branch2][C][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O]
|
Cc1oc2cc(F)ccc2c16.c17ccccc1O.c15nn[nH]n1.[C@@H]47C5.C6C3.N34
|
CC(C)[C@](C)(CNC(=O)[C@H](CC[S@+](C)[O-])N(C)C)NC(=O)Cc1ccco1
|
CCC)[C@]C)CNC=O)[C@H]CC[S@+]C)[O-]))))NC)C))))))NC=O)Ccccco5
|
[C][C][Branch1][C][C][C@][Branch1][C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][S@+1][Branch1][C][C][O-1][N][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][O][Ring1][Branch1]
|
C2(=O)[C@@H]6CC[S@+](C)[O-].CC(C)[C@]4(C)C5.c17ccco1.C3(=O)C7.N6(C)C.N25.N34
|
CN(C(=O)COCCF)[C@@H]1CC[C@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@H]21
|
CNC=O)COCCF))))))[C@@H]CC[C@H]CNC=O)CCnncnC)c5=O)))))))))C[C@H]58
|
[C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][O][C][C][F][C@@H1][C][C][C@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][N][N][=C][N][Branch1][C][C][C][Ring1][=Branch1][=O][C][C@H1][Ring1][S][Ring2][Ring1][Ring1]
|
[C@@H]18CC[C@H]2CN5C[C@H]21.n19ncn(C)c1=O.C5(=O)CC9.C4(=O)C6.CN48.C7CF.O67
|
Cc1nc(S)sc1CC(=O)N1CC[C@H](NC(=O)CN(C)C(N)=O)[C@@H](CO)C1
|
CcncS)sc5CC=O)NCC[C@H]NC=O)CNC)CN)=O))))))[C@@H]CO))C6
|
[C][C][N][=C][Branch1][C][S][S][C][=Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][Branch1][C][N][=O][C@@H1][Branch1][Ring1][C][O][C][Ring1][P]
|
N12CC[C@H]6[C@@H]8C1.Cc1nc(S)sc17.C7C2=O.C3(=O)C5.N45C.C4(N)=O.N36.C8O
|
Cc1cc(C)c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)N2C(=O)c2ccc(Cl)nc2F)cn1
|
CcccC)cNC=O)[C@H][C@H]CC[C@@H]C5)N6C=O)ccccCl)nc6F))))))))))))))))cn6
|
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C@H1][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][F][C][=N][Ring2][Ring1][O]
|
Cc1cc(C)c6cn1.[C@H]17[C@H]2CC[C@@H](C2)N15.c18ccc(Cl)nc1F.C47=O.C58=O.N46
|
CO[C@@]1(C(=O)N2CCC(CN(C)C(=O)Cn3nnc(=O)[nH]3)CC2)CCSC1
|
CO[C@@]C=O)NCCCCNC)C=O)Cnnnc=O)[nH]5)))))))))CC6)))))))CCSC5
|
[C][O][C@@][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][N][=N][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][C][S][C][Ring2][Ring1][=Branch2]
|
N14CCC%10CC1.[C@]168CCSC1.n19nnc(=O)[nH]1.C5(=O)C9.C48=O.N57C.CO6.C7%10
|
Cc1ccc(C(=O)NCC2[C@@H]3CN(C(=O)C4=C(Cl)CC[C@@H](C)C4)C[C@@H]23)nc1C
|
CccccC=O)NCC[C@@H]CNC=O)C=CCl)CC[C@@H]C)C6)))))))C[C@@H]65)))))))))nc6C
|
[C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][C][C@@H1][Branch1][C][C][C][Ring1][Branch2][C][C@@H1][Ring1][S][Ring1][#C][N][=C][Ring2][Ring1][#Branch2][C]
|
C6(=O)C1=C(Cl)CC[C@@H](C)C1.Cc1ccc8nc1C.C19[C@@H]2CN6C[C@@H]12.C58=O.N57.C79
|
COc1csc(C(=O)NCCCC[C@H](C)NC(=O)c2cccc3scnc23)c1
|
COccscC=O)NCCCC[C@H]C)NC=O)cccccscnc95))))))))))))))))))c5
|
[C][O][C][=C][S][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][S][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][=C][Ring2][Ring1][#Branch2]
|
c1%10cccc2scnc12.C7CCC[C@@H]8C.c16csc9c1.C49=O.C5%10=O.CO6.N47.N58
|
CO[C@H](F)C(=O)N[C@@H]1C[C@@H](NC(=O)CCC(=O)N2CCC(O)CC2)C[C@H]1O
|
CO[C@H]F)C=O)N[C@@H]C[C@@H]NC=O)CCC=O)NCCCO)CC6)))))))))))C[C@H]5O
|
[C][O][C@H1][Branch1][C][F][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][C@H1][Ring2][Ring1][Ring1][O]
|
[C@@H]17C[C@@H]8C[C@H]1O.C4(=O)CCC5=O.N15CCC(O)CC1.[C@@H]6(F)C3=O.CO6.N37.N48
|
COC[C@@H](C)CNC(=O)CC1CCN(C(=O)c2ccccc2C)CC1
|
COC[C@@H]C)CNC=O)CCCCNC=O)cccccc6C))))))))CC6
|
[C][O][C][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#C]
|
C18CCN4CC1.c17ccccc1C.C5[C@@H](C)C6.C3(=O)C8.C47=O.CO5.N36
|
CC(=O)NCC(C)(C)C(=O)N(C)[C@@H](CNC(=O)c1cnc(C(C)(C)C)[nH]1)C1CC1
|
CC=O)NCCC)C)C=O)NC)[C@@H]CNC=O)ccncCC)C)C))[nH]5))))))))CCC3
|
[C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][NH1][Ring1][=Branch2][C][C][C][Ring1][Ring1]
|
C5C(C)(C)C3=O.c18cnc9[nH]1.[C@@H]6%10C7.C9(C)(C)C.CC2=O.N36C.C48=O.C1%10CC1.N25.N47
|
CCc1ncc([C@H](C(=O)N[C@H](C)CC)N2CCO[C@@H]([C@@H]3CCOC3)C2)cn1
|
CCcncc[C@H]C=O)N[C@H]C)CC)))))NCCO[C@@H][C@@H]CCOC5)))))C6)))))))cn6
|
[C][C][C][=N][C][=C][Branch2][Ring1][S][C@H1][Branch1][N][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][N][C][C][O][C@@H1][Branch1][Branch2][C@@H1][C][C][O][C][Ring1][Branch1][C][Ring1][O][C][=N][Ring2][Ring1][=Branch2]
|
c17ncc8cn1.N15CCO[C@@H]9C1.[C@@H]58C4=O.[C@@H]19CCOC1.[C@@H]6(C)CC.CC7.N46
|
CCN(CCCO)C(=O)c1nc(CNC(=O)CC2(C)OCCO2)oc1C
|
CCNCCCO))))C=O)cncCNC=O)CCC)OCCO5)))))))))oc5C
|
[C][C][N][Branch1][Branch1][C][C][C][O][C][=Branch1][C][=O][C][N][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][O][C][C][O][Ring1][=Branch1][O][C][=Ring1][S][C]
|
c18nc%10oc1C.C19(C)OCCO1.C6CCO.C4(=O)C9.N356.C38=O.CC5.C7%10.N47
|
O=C(NC12CC(C1)N(C(=O)c1ccnnc1O)C2)c1cc2c(F)cc(F)cc2o1
|
O=CNCCCC4)NC=O)cccnnc6O))))))))C5))))))ccccF)ccF)cc6o9
|
[O][=C][Branch2][Ring1][=N][N][C][C][C][Branch1][Ring2][C][Ring1][Ring2][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1][O][C][Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][O][Ring1][O]
|
c16cc2c(F)cc(F)cc2o1.C125CC(C1)N4C2.c17ccnnc1O.O=C36.C47=O.N35
|
CCCN(C)CC(=O)N(C)CC(=O)N(C)C(COC)COC
|
CCCNC)CC=O)NC)CC=O)NC)CCOC)))COC
|
[C][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][Ring2][C][O][C][C][O][C]
|
C8(C3)C4.C6C1=O.C7C2=O.CCC5.N56C.N17C.N28C.O3C.O4C
|
C#Cc1ccc(C(=O)N(C)[C@@](C)(C(=O)Nc2cnn3c2CCCC3)C2CC2)o1
|
C#CccccC=O)NC)[C@@]C)C=O)Nccnnc5CCCC6)))))))))))CCC3))))))o5
|
[C][#C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@][Branch1][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=N][N][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring1][O][Ring2][Ring1][#Branch2]
|
c17cnn2c1CCCC2.C#Cc1ccc8o1.[C@@]69(C)C5=O.C48=O.N46C.C19CC1.N57
|
C[C@H]1CC[C@H](C)N1CC(=O)NCc1cn(CC(=O)N2C3CCC2CC3)nn1
|
C[C@H]CC[C@H]C)N5CC=O)NCccnCC=O)NCCCC5CC6)))))))))nn5
|
[C][C@H1][C][C][C@H1][Branch1][C][C][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=Branch1][N][=N][Ring1][#C]
|
C[C@H]1CC[C@H](C)N16.N15C2CCC1CC2.c19cn8nn1.C6C4=O.C8C5=O.N47.C79
|
CCc1cnn(CC(=O)N2CCC[C@]2(C)CNC(=O)CCN(C)S(C)(=O)=O)c1
|
CCccnnCC=O)NCCC[C@]5C)CNC=O)CCNC)SC)=O)=O)))))))))))))))c5
|
[C][C][C][C][=N][N][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][C@][Ring1][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=Ring2][Ring1][#Branch2]
|
N13CCC[C@@]19C.c1%10cnn8c1.C4(=O)CC6.C8C3=O.S7(C)(=O)=O.N67C.CC%10.C59.N45
|
C=CCC1(C(=O)N[C@@H]2CN(C(=O)C[C@H]3C[C@@H](OC)C3)[C@@]3(CCCOC3)C2)CCC1
|
C=CCCC=O)N[C@@H]CNC=O)C[C@H]C[C@@H]OC))C4))))))[C@@]CCCOC6)))))C5)))))))CCC4
|
[C][=C][C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][C@H1][C][C@@H1][Branch1][Ring1][O][C][C][Ring1][=Branch1][C@@][Branch1][Branch2][C][C][C][O][C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][C][C][C][Ring2][Ring1][#Branch2]
|
[C@@H]17CN5[C@@]2(CCCOC2)C1.C189CCC1.[C@H]1%10C[C@@H]6C1.C5(=O)C%10.C=CC9.C48=O.N47.O6C
|
C[C@H](CN(C)C(=O)[C@H]1C2CCN(CC2)S1(=O)=O)NC(=O)c1ncn(C)n1
|
C[C@H]CNC)C=O)[C@H]CCCNCC6))S6=O)=O))))))))))NC=O)cncnC)n5
|
[C][C@H1][Branch2][Ring1][N][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][C][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][S][Ring1][Branch2][=Branch1][C][=O][=O][N][C][=Branch1][C][=O][C][N][=C][N][Branch1][C][C][N][=Ring1][=Branch1]
|
[C@H]17C2CCN(CC2)S1(=O)=O.c18ncn(C)n1.C[C@@H]5C6.N36C.C37=O.C48=O.N45
|
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[C@@]21C(=O)NC[C@]12CCC[C@H]1OCC2
|
CCC)C)OC=O)N[C@@H]CC[C@H]C[C@@]36C=O)NC[C@]CCC[C@H]5OCC8
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][C][C@@][Ring1][Ring1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@][C][C][C][C@H1][Ring1][Branch1][O][C][C][Ring1][Branch2]
|
[C@]12%10CCC[C@H]1OCC2.[C@@H]18CC[C@H]2C[C@@]219.CC6(C)C.C34=O.C59=O.O36.N48.N57.C7%10
|
COC(=O)[C@@H]1CCC2(CC2)N1C(=O)CNC(=O)c1sc2ccccc2c1Cl
|
COC=O)[C@@H]CCCCC3))N5C=O)CNC=O)cscccccc6c9Cl
|
[C][O][C][=Branch1][C][=O][C@@H1][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][N][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl]
|
c18sc2ccccc2c1Cl.[C@@H]17CCC2(CC2)N14.C4(=O)C6.C37=O.C58=O.CO3.N56
|
CN(CC1(N(C)C)CC1)[C@H](C(=O)N[C@H]1CCOC1)c1nnn(C)n1
|
CNCCNC)C))CC3))))[C@H]C=O)N[C@H]CCOC5)))))))cnnnC)n5
|
[C][N][Branch1][=C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][C][Ring1][=Branch1][C@H1][Branch1][=N][C][=Branch1][C][=O][N][C@H1][C][C][O][C][Ring1][Branch1][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1]
|
c17nnn(C)n1.[C@H]57C2=O.[C@H]16CCOC1.C148CC1.CN35.N4(C)C.C38.N26
|
NC(=O)[C@@H]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3CCc4ncsc4C3)C2)C1
|
NC=O)[C@@H]CC[C@H]C=O)NCCNC=O)[C@H]CCcncsc5C9)))))))))))C4)))))C5
|
[N][C][=Branch1][C][=O][C@@H1][C][C][C@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@H1][C][C][C][N][=C][S][C][=Ring1][Branch1][C][Ring1][=Branch2][C][Ring1][S][C][Ring2][Ring1][#Branch1]
|
[C@H]1%10CCc2ncsc2C1.[C@@H]18CC[C@H]9C1.N15CC7C1.NC8=O.C59=O.C6%10=O.N67
|
Cc1ccc(CC(=O)NCC2(O)CN(C(=O)[C@]3(C#N)CC34CCCC4)C2)cc1C
|
CccccCC=O)NCCO)CNC=O)[C@]C#N))CC3CCCC5))))))))C4))))))))cc6C
|
[C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C@][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][S][C][=C][Ring2][Ring1][O][C]
|
[C@@]18(C#N)CC12CCCC2.Cc1ccc%10cc1C.C19(O)CN6C1.C%10C5=O.C68=O.N57.C79
|
CCc1cncc(C(=O)N2CC[C@H]([C@@H]3CCCN3c3cc(CC)ncn3)C2)c1
|
CCccnccC=O)NCC[C@H][C@@H]CCCN5cccCC))ncn6)))))))))))C5))))))c6
|
[C][C][C][=C][N][=C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][Ring2][C@@H1][C][C][C][N][Ring1][Branch1][C][=C][C][Branch1][Ring1][C][C][=N][C][=N][Ring1][Branch2][C][Ring2][Ring1][C][=C][Ring2][Ring1][#Branch2]
|
c18cncc6c1.c15cc7ncn1.N14CC[C@H]9C1.[C@@H]19CCCN15.C46=O.CC8.C7C
|
CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H]3CC[C@H]2N(C(=O)C2(C(C)C)CCC2)C3)C1
|
CO[C@H]C[C@@H]C=O)NC[C@@H]C[C@H]CC[C@H]6NC=O)CCC)C))CCC4)))))C6)))))))))))C4
|
[C][O][C@H1][C][C@@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C][Ring1][#C][C][Ring2][Ring1][=Branch2]
|
[C@@H]1%10C[C@H]2CC[C@H]1N5C2.[C@H]16C[C@@H]8C1.C19%11CCC1.C48=O.C59=O.C%11(C)C.CO6.N47.C7%10
|
Cc1ccc([N+](=O)[O-])cc1OC(=O)C1(C)CCCCC1
|
Ccccc[N+]=O)[O-]))cc6OC=O)CC)CCCCC6
|
[C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][C][C][Ring1][#Branch1]
|
Cc1ccc([N+](=O)[O-])cc13.C14(C)CCCCC1.C24=O.O23
|
C#CC[C@H](C(=O)N1CCO[C@@H](C)[C@@H]1C(=O)NCCC[C@@H]1C=NNC1=O)C1CC1
|
C#CC[C@H]C=O)NCCO[C@@H]C)[C@@H]6C=O)NCCC[C@@H]C=NNC5=O))))))))))))))))))CCC3
|
[C][#C][C][C@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][O][C@@H1][Branch1][C][C][C@@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][C][=N][N][C][Ring1][Branch1][=O][C][C][C][Ring1][Ring1]
|
N12CCO[C@@H](C)[C@@H]15.C#CC[C@@H]6C2=O.[C@@H]17C=NNC1=O.C4CC7.C35=O.C16CC1.N34
|
C=CC/C=C/CCC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cc2n(n1)CCO2
|
C=CC/C=C/CCC=O)NC[C@H]CC[C@H]6CN6C=O)cccnn5)CCO5
|
[C][=C][C][/C][=C][/C][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][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][O][Ring1][=Branch1]
|
N13C[C@H]2CC[C@H]1CN24.c15cc2n(n1)CCO2.C=6CCC3=O.C=CCC=6.C45=O
|
CC=CC=CC(=O)NCCC1(O)CCN(C(=O)[C@H](CC(C)C)C(C)C)CC1
|
CC=CC=CC=O)NCCCO)CCNC=O)[C@H]CCC)C)))CC)C))))CC6
|
[C][C][=C][C][=C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][C][Ring1][P]
|
C3(=O)[C@H](CC(C)C)C(C)C.C17(O)CCN3CC1.C=6C2=O.C=5C=6.C4C7.CC=5.N24
|
CC(F)(F)[C@H](Cl)CNC(=O)[C@@H]1C[C@H]2C=C[C@H]1N(C(=O)c1cccc(O)c1F)C2
|
CCF)F)[C@H]Cl)CNC=O)[C@@H]C[C@H]C=C[C@H]6NC=O)cccccO)c6F))))))))C6
|
[C][C][Branch1][C][F][Branch1][C][F][C@H1][Branch1][C][Cl][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][C][=C][C@H1][Ring1][=Branch1][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][F][C][Ring1][S]
|
[C@@H]16C[C@H]2C=C[C@H]1N4C2.c17cccc(O)c1F.CC(F)(F)[C@H](Cl)C5.C36=O.C47=O.N35
|
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