SMILES
stringlengths 16
101
| Deep SMILES
stringlengths 14
104
| SELFIES
stringlengths 66
296
| SAFE
stringlengths 19
118
| Group SELFIES
stringlengths 66
302
|
|---|---|---|---|---|
C[C@@H]1CN(C(=O)c2cc(C(F)F)n(C)n2)CCc2ccc(F)cc21
|
C[C@@H]CNC=O)cccCF)F))nC)n5))))))CCccccF)cc6%11
|
[C][C@@H1][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][Branch1][C][C][N][=Ring1][=Branch2][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring2][Ring1][#Branch1]
|
C[C@@H]1CN3CCc2ccc(F)cc21.c14cc5n(C)n1.C34=O.C5(F)F
|
[C][CH1][C][N][Branch][C][=Branch][=O][pop][C][C][=C][Branch][C][Branch][F][pop][F][pop][N][Branch][C][pop][N][=Ring1][N][pop][C][C][C][=C][C][=C][Branch][F][pop][C][=C][Ring2][Ring1][=N][Ring1][#Branch]
|
CC(C(=O)N[C@H]1C[C@H](CNC(=O)C2CC(C)C2)C1)=C1CCCC1
|
CCC=O)N[C@H]C[C@H]CNC=O)CCCC)C4)))))))C4))))))=CCCCC5
|
[C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch1][S][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][C][Ring1][Branch1][C][Ring1][=N][=C][C][C][C][C][Ring1][Branch1]
|
CC=8C3=O.[C@H]16C[C@H]9C1.C17CC(C)C1.C1=8CCCC1.C47=O.N36.C59.N45
|
[C][C][Branch][C][=Branch][=O][pop][N][CH1][C][CH1][Branch][C][N][C][=Branch][=O][pop][C][C][C][Branch][C][pop][C][Ring1][Branch][pop][C][Ring1][S][pop][=C][C][C][C][C][Ring1][Branch]
|
CCCC1(C(=O)NCCN(CC)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCC1
|
CCCCC=O)NCCNCC))C=O)[C@@H]C[C@H]CC[C@@H]6O5)))))))))))))CCC4
|
[C][C][C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C@@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][O][Ring1][Branch1][C][C][C][Ring2][Ring1][Branch1]
|
[C@@H]1%10C[C@H]2CC[C@@H]1O2.C19%11CCC1.CCC%11.C49=O.C6C7.N578.C5%10=O.N46.C8C
|
[C][C][C][C][Branch][C][=Branch][=O][pop][N][C][C][N][Branch][C][C][pop][C][=Branch][=O][pop][CH1][C][CH1][C][C][CH1][Branch][O][Ring1][Branch][pop][Ring1][=Branch][pop][C][C][C][Ring2][Ring1][O]
|
COCC[C@@H](NC(=O)[C@H]1CCNC1=O)c1ccc(C)o1
|
COCC[C@@H]NC=O)[C@H]CCNC5=O))))))))ccccC)o5
|
[C][O][C][C][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C@H1][C][C][N][C][Ring1][Branch1][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1]
|
[C@H]15CCNC1=O.c16ccc(C)o1.C3C[C@@H]46.C25=O.CO3.N24
|
[C][O][C][C][CH1][Branch][N][C][=Branch][=O][pop][CH1][C][C][N][C][=Branch][=O][pop][Ring1][Branch][pop][C][=C][C][=C][Branch][C][pop][O][Ring1][=Branch]
|
Cc1nc(C)c(F)c(N2CCC[C@@H]2CNC(=O)c2cnc(O)n2C)n1
|
CcncC)cF)cNCCC[C@@H]5CNC=O)ccncO)n5C))))))))))))))n6
|
[C][C][=N][C][Branch1][C][C][=C][Branch1][C][F][C][Branch2][Ring1][=Branch2][N][C][C][C][C@@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][O][N][Ring1][=Branch1][C][=N][Ring2][Ring1][Branch2]
|
Cc1nc5c(F)c(C)n1.c16cnc(O)n1C.N15CCC[C@@H]17.C36=O.C47.N34
|
[C][C][=N][C][Branch][C][pop][=C][Branch][F][pop][C][Branch][N][C][C][C][CH1][Branch][C][N][C][=Branch][=O][pop][C][=C][N][=C][Branch][O][pop][N][Branch][C][pop][Ring1][=Branch][pop][Ring1][Branch][pop][=N][Ring2][Ring1][=C]
|
CC[C@H](C)S(=O)(=O)Nc1cncc(NC(C)=O)c1
|
CC[C@H]C)S=O)=O)NccnccNCC)=O)))c6
|
[C][C][C@H1][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][N][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2]
|
CC[C@H](C)S3(=O)=O.c14cncc5c1.C2(C)=O.N34.N25
|
[C][C][CH1][Branch][C][pop][S][=Branch][=O][pop][=Branch][=O][pop][N][C][=C][N][=C][C][Branch][N][C][Branch][C][pop][=O][pop][=C][Ring1][=N]
|
CCCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)C(C)(C)CC(F)F)C1
|
CCCCC=O)NCC[C@@H][C@H]C)NC=O)CC)C)CCF)F)))))))C5
|
[C][C][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][#Branch1][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][F][F][C][Ring1][P]
|
C3(=O)C(C)(C)CC(F)F.CCCCC2=O.N12CC[C@@H]5C1.[C@@H]45C.N34
|
[C][C][C][C][C][=Branch][=O][pop][N][C][C][CH1][Branch][CH1][Branch][C][pop][N][C][=Branch][=O][pop][C][Branch][C][pop][Branch][C][pop][C][C][Branch][F][pop][F][pop][C][Ring2][Ring1][Ring2]
|
CCC1CCN(C(=O)c2cc(NC(C)=O)ccc2O)CC1
|
CCCCCNC=O)cccNCC)=O)))ccc6O))))))))CC6
|
[C][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][O][C][C][Ring2][Ring1][Ring1]
|
c16cc5ccc1O.C17CCN3CC1.C36=O.C4(C)=O.CC7.N45
|
[C][C][C][C][C][N][Branch][C][=Branch][=O][pop][C][=C][C][Branch][N][C][Branch][C][pop][=O][pop][=C][C][=C][Branch][O][pop][Ring1][=N][pop][C][C][Ring2][Ring1][=Branch]
|
O=C(CCCc1nn[nH]n1)N1CCC(O)(CO)CC1
|
O=CCCCcnn[nH]n5))))))))NCCCO)CO))CC6
|
[O][=C][Branch1][O][C][C][C][C][N][=N][NH1][N][=Ring1][Branch1][N][C][C][C][Branch1][C][O][Branch1][Ring1][C][O][C][C][Ring1][=Branch2]
|
N12CCC4(O)CC1.O=C2CCC3.c13nn[nH]n1.C4O
|
[O][=C][Branch][C][C][C][C][N][=N][N][N][=Ring1][Branch][pop][N][C][C][C][Branch][O][pop][Branch][C][O][pop][C][C][Ring1][N]
|
CCN1CCCC[C@H]1C(=O)N[C@@H](C)CNC(=O)Cn1nccc1C
|
CCNCCCC[C@H]6C=O)N[C@@H]C)CNC=O)Cnnccc5C
|
[C][C][N][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][N][=C][C][=C][Ring1][Branch1][C]
|
N14CCCC[C@H]17.n18nccc1C.[C@H]5(C)C6.C3(=O)C8.C27=O.CC4.N25.N36
|
[C][C][N][C][C][C][C][CH1][Branch][C][=Branch][=O][pop][N][CH1][Branch][C][pop][C][N][C][=Branch][=O][pop][C][N][N][=C][C][=C][Branch][C][pop][Ring1][Branch][pop][Ring1][=Branch]
|
CSc1ccc(NC(=O)[C@]2(C)CCCCN2)cc1
|
CSccccNC=O)[C@]C)CCCCN6))))))))cc6
|
[C][S][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][C][N][Ring1][#Branch1][C][=C][Ring1][S]
|
c16ccc4cc1.[C@@]15(C)CCCCN1.C35=O.CS6.N34
|
[C][S][C][=C][C][=C][Branch][N][C][=Branch][=O][pop][C][Branch][C][pop][C][C][C][C][N][Ring1][#Branch][pop][C][=C][Ring2][Ring1][Ring1]
|
Fc1ccc(Cc2noc(CSc3nccn4ccnc34)n2)cc1
|
FccccCcnocCScnccnccnc95)))))))))))n5))))))cc6
|
[F][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][=N][O][C][Branch1][S][C][S][C][=N][C][=C][N][C][=C][N][=C][Ring1][=Branch2][Ring1][Branch1][=N][Ring1][S][C][=C][Ring2][Ring1][#Branch1]
|
c19nccn2ccnc12.Fc1ccc8cc1.c16noc7n1.C68.C57.S59
|
[F][C][=C][C][=C][Branch][C][C][=N][O][C][Branch][C][S][C][=N][C][=C][N][C][=C][N][=C][Ring1][N][Ring1][Branch][pop][=N][Ring2][Ring1][Ring1][pop][C][=C][Ring2][Ring1][=N]
|
C=CCN(C(C)C)S(=O)(=O)c1cc(C(=O)O)c(C)cc1F
|
C=CCNCC)C))S=O)=O)cccC=O)O))cC)cc6F
|
[C][=C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][C][C][=C][Ring1][#Branch2][F]
|
S4(=O)(=O)c1cc5c(C)cc1F.C=CC2.N234.C3(C)C.C5(=O)O
|
[C][=C][C][N][Branch][C][Branch][C][pop][C][pop][S][=Branch][=O][pop][=Branch][=O][pop][C][=C][C][Branch][C][=Branch][=O][pop][O][pop][=C][Branch][C][pop][C][=C][Branch][F][pop][Ring1][=N]
|
O=C(Nc1ccc(Cn2ccnc2)cc1)c1ccc2c(c1)OCO2
|
O=CNccccCnccnc5))))))cc6)))))))cccccc6)OCO5
|
[O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
|
c15ccc2c(c1)OCO2.c14ccc7cc1.n16ccnc1.O=C35.N34.C67
|
[O][=C][Branch][N][C][=C][C][=C][Branch][C][N][C][=C][N][=C][Ring1][Branch][pop][C][=C][Ring1][#C][pop][C][=C][C][=C][C][=Branch][=C][Ring1][=Branch][pop][O][C][O][Ring1][=Branch]
|
CN(C(=O)[C@@H]1C[C@H]1c1ccsc1)C1CN(C(=O)[C@H]2CCC(=O)N2)C1
|
CNC=O)[C@@H]C[C@H]3cccsc5)))))))))CCNC=O)[C@H]CCC=O)N5))))))C4
|
[C][N][Branch1][P][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][C][=C][S][C][=Ring1][Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][Ring1][N]
|
[C@H]16CCC(=O)N1.c18ccsc1.C15CN4C1.[C@@H]17C[C@H]18.CN35.C37=O.C46=O
|
[C][N][Branch][C][=Branch][=O][pop][CH1][C][CH1][Branch][C][C][=C][S][C][=Ring1][Branch][pop][Ring1][Ring1][pop][C][C][N][Branch][C][=Branch][=O][pop][CH1][C][C][C][=Branch][=O][pop][N][Ring1][=Branch][pop][C][Ring1][#C]
|
CCN(C(=O)C[C@@H]1CC[C@@H](C)C1)C1CN(C(=O)c2ncoc2C)C1
|
CCNC=O)C[C@@H]CC[C@@H]C)C5)))))))CCNC=O)cncoc5C)))))))C4
|
[C][C][N][Branch1][S][C][=Branch1][C][=O][C][C@@H1][C][C][C@@H1][Branch1][C][C][C][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][N][=C][O][C][=Ring1][Branch1][C][C][Ring1][N]
|
[C@@H]18CC[C@@H](C)C1.c17ncoc1C.C16CN4C1.C3(=O)C8.N356.C47=O.CC5
|
[C][C][N][Branch][C][=Branch][=O][pop][C][CH1][C][C][CH1][Branch][C][pop][C][Ring1][=Branch][pop][C][C][N][Branch][C][=Branch][=O][pop][C][N][=C][O][C][Branch][C][pop][=Ring1][Branch][pop][C][Ring1][#C]
|
Cc1ccc(CC(=O)N(C)C2CN(C(=O)Cn3cnnn3)C2)s1
|
CccccCC=O)NC)CCNC=O)Cncnnn5)))))))C4)))))))s5
|
[C][C][=C][C][=C][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][N][C][=N][N][=N][Ring1][Branch1][C][Ring1][N][S][Ring2][Ring1][=Branch1]
|
Cc1ccc8s1.C16CN5C1.n17cnnn1.C8C4=O.C5(=O)C7.N46C
|
[C][C][=C][C][=C][Branch][C][C][=Branch][=O][pop][N][Branch][C][pop][C][C][N][Branch][C][=Branch][=O][pop][C][N][C][=N][N][=N][Ring1][Branch][pop][C][Ring1][#C][pop][S][Ring2][Ring1][N]
|
CN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1CCNC1
|
CNC=O)CnccC#N))cO)nc6=O)))))))))[C@@H]CCNC5
|
[C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][O][=N][C][Ring1][=Branch2][=O][C@@H1][C][C][N][C][Ring1][Branch1]
|
n14cc(C#N)c(O)nc1=O.[C@@H]13CCNC1.C2(=O)C4.CN23
|
[C][N][Branch][C][=Branch][=O][pop][C][N][C][=C][Branch][C][#N][pop][C][Branch][O][pop][=N][C][=Branch][=O][pop][Ring1][N][pop][CH1][C][C][N][C][Ring1][Branch]
|
Cn1nncc1CN1CCCN(C(=O)C[C@@H]2CCCCO2)CC1
|
Cnnncc5CNCCCNC=O)C[C@@H]CCCCO6))))))))CC7
|
[C][N][N][=N][C][=C][Ring1][Branch1][C][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C@@H1][C][C][C][C][O][Ring1][=Branch1][C][C][Ring1][S]
|
N14CCCN3CC1.Cn1nncc16.[C@@H]15CCCCO1.C3(=O)C5.C46
|
[C][N][N][=N][C][=C][Branch][C][N][C][C][C][N][Branch][C][=Branch][=O][pop][C][CH1][C][C][C][C][O][Ring1][=Branch][pop][C][C][Ring2][Ring1][Ring1][pop][Ring1][Branch]
|
CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CCN(C(C)(C)C)C1=O
|
CCC)NCCCC[C@H]6C=O)N[C@H]CCNCC)C)C))C5=O
|
[C][C][Branch1][C][C][N][C][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2][=O]
|
N13CCCC[C@H]15.[C@H]14CCN6C1=O.C6(C)(C)C.CC3C.C25=O.N24
|
[C][C][Branch][C][pop][N][C][C][C][C][CH1][Branch][C][=Branch][=O][pop][N][CH1][C][C][N][Branch][C][Branch][C][pop][Branch][C][pop][C][pop][C][=Branch][=O][pop][Ring1][N][pop][Ring1][=Branch]
|
C[C@H](C[C@H](C)NC(=O)Cc1ccc2c(c1)CCO2)Nc1ncccn1
|
C[C@H]C[C@H]C)NC=O)Ccccccc6)CCO5)))))))))))))Ncncccn6
|
[C][C@H1][Branch2][Ring1][O][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][N][C][=N][C][=C][C][=N][Ring1][=Branch1]
|
c17ccc2c(c1)CCO2.C[C@@H]4C[C@@H]5C.c16ncccn1.C3(=O)C7.N35.N46
|
[C][CH1][Branch][C][CH1][Branch][C][pop][N][C][=Branch][=O][pop][C][C][=C][C][=C][C][=Branch][=C][Ring1][=Branch][pop][C][C][O][Ring1][=Branch][pop][N][C][=N][C][=C][C][=N][Ring1][=Branch]
|
Cn1c(CNC(=O)c2cc3c(ccc4ccccc43)[nH]2)nnc1C1CC1
|
CncCNC=O)cccccccccccc6%10))))))))[nH]5))))))))nnc5CCC3
|
[C][N][C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][NH1][Ring1][=N][=N][N][=C][Ring2][Ring1][=Branch1][C][C][C][Ring1][Ring1]
|
c17cc2c(ccc3ccccc32)[nH]1.Cn1c8nnc19.C57=O.C19CC1.C68.N56
|
[C][N][C][Branch][C][N][C][=Branch][=O][pop][C][=C][C][=C][Branch][C][=C][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch][pop][N][Ring1][S][pop][=N][N][=C][Branch][C][C][C][Ring1][Ring1][pop][Ring2][Ring1][N]
|
CCCc1[nH]ccc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H](O)C(C)C
|
CCCc[nH]ccc5C=O)N[C@@H]CCCC[C@H]6NC=O)[C@H]O)CC)C
|
[C][C][C][C][NH1][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][Branch1][C][C][C]
|
[C@@H]14CCCC[C@H]15.C3(=O)[C@H](O)C(C)C.c17[nH]ccc16.CCC7.C26=O.N24.N35
|
[C][C][C][C][N][C][=C][C][Branch][C][=Branch][=O][pop][N][CH1][C][C][C][C][CH1][Branch][N][C][=Branch][=O][pop][CH1][Branch][O][pop][C][Branch][C][pop][C][pop][Ring1][=Branch][pop][=Ring1][Branch]
|
CN1CCNC[C@H]1CNCc1csc(-c2ccc(F)cc2)n1
|
CNCCNC[C@H]6CNCccsc-ccccF)cc6))))))n5
|
[C][N][C][C][N][C][C@H1][Ring1][=Branch1][C][N][C][C][=C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N]
|
CN1CCNC[C@H]15.c17ccc(F)cc1.c16csc7n1.C35.N34.C46
|
[C][N][C][C][N][C][CH1][Branch][C][N][C][C][=C][S][C][Branch][C][=C][C][=C][Branch][F][pop][C][=C][Ring1][#Branch][pop][=N][Ring1][#C][pop][Ring1][=Branch]
|
O=C(c1conc1C(F)(F)F)N1CCCN(CCC2CC2)CC1
|
O=Ccconc5CF)F)F)))))))NCCCNCCCCC3)))))CC7
|
[O][=C][Branch1][S][C][=C][O][N][=C][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][N][C][C][C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Ring1][C][C][Ring1][N]
|
N13CCCN4CC1.c15conc16.C6(F)(F)F.O=C35.C4C7.C17CC1
|
[O][=C][Branch][C][=C][O][N][=C][Branch][C][Branch][F][pop][Branch][F][pop][F][pop][Ring1][Branch][pop][N][C][C][C][N][Branch][C][C][C][C][C][Ring1][Ring1][pop][C][C][Ring1][#C]
|
O=C1C[C@H]2COC[C@@H](C1)N2C(=O)[C@@H]1CNCCN1
|
O=CC[C@H]COC[C@@H]C8)N6C=O)[C@@H]CNCCN6
|
[O][=C][C][C@H1][C][O][C][C@@H1][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][#Branch1][C][=Branch1][C][=O][C@@H1][C][N][C][C][N][Ring1][=Branch1]
|
O=C1C[C@H]2COC[C@@H](C1)N23.[C@@H]14CNCCN1.C34=O
|
[O][=C][C][CH1][C][O][C][CH1][Branch][C][Ring1][O][pop][N][Branch][C][=Branch][=O][pop][CH1][C][N][C][C][N][Ring1][=Branch][pop][Ring1][#Branch]
|
CC(C)C(=O)NCC[C@@H]1CCN([C@@H](C)c2cccc(F)c2)C1
|
CCC)C=O)NCC[C@@H]CCN[C@@H]C)cccccF)c6)))))))C5
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][C][C][N][Branch1][S][C@@H1][Branch1][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][=C]
|
c17cccc(F)c1.[C@@H]16CCN5C1.CC(C)C3=O.C4C6.[C@@H]57C.N34
|
[C][C][Branch][C][pop][C][=Branch][=O][pop][N][C][C][CH1][C][C][N][Branch][CH1][Branch][C][pop][C][=C][C][=C][C][Branch][F][pop][=C][Ring1][#Branch][pop][C][Ring1][P]
|
C[C@@H]1CN(C(=O)[C@]2(C)CC=CCC2)C[C@H]1NC(=O)CC1CCC1
|
C[C@@H]CNC=O)[C@]C)CC=CCC6)))))))C[C@H]5NC=O)CCCCC4
|
[C][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][=C][C][C][Ring1][#Branch1][C][C@H1][Ring1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Ring2]
|
C[C@@H]1CN3C[C@H]15.[C@@]16(C)CC=CCC1.C4(=O)C7.C17CCC1.C36=O.N45
|
[C][CH1][C][N][Branch][C][=Branch][=O][pop][C][Branch][C][pop][C][C][=C][C][C][Ring1][#Branch][pop][C][CH1][Branch][N][C][=Branch][=O][pop][C][C][C][C][C][Ring1][Ring2][pop][Ring1][P]
|
Cc1ccnc(O)c1C(=O)N(C)c1ccc2cc[nH]c2c1
|
CcccncO)c6C=O)NC)cccccc[nH]c5c9
|
[C][C][=C][C][=N][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2]
|
c14ccc2cc[nH]c2c1.Cc1ccnc(O)c15.C35=O.N34C
|
[C][C][=C][C][=N][C][Branch][O][pop][=C][Branch][C][=Branch][=O][pop][N][Branch][C][pop][C][=C][C][=C][C][=C][N][C][=Branch][=C][Ring1][N][pop][Ring1][Branch][pop][Ring1][#Branch]
|
O=C(NCCCNCc1noc2c1CCCC2)c1ccc(F)cc1F
|
O=CNCCCNCcnocc5CCCC6)))))))))))))))ccccF)cc6F
|
[O][=C][Branch2][Ring1][Ring2][N][C][C][C][N][C][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]
|
c18noc2c1CCCC2.c17ccc(F)cc1F.C4CC5.O=C37.N34.N56.C68
|
[O][=C][Branch][N][C][C][C][N][C][C][=N][O][C][=C][Branch][C][C][C][C][Ring1][=Branch][pop][Ring1][Branch][pop][C][=C][C][=C][Branch][F][pop][C][=C][Branch][F][pop][Ring1][#Branch]
|
CCN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)c1cnn(C)n1
|
CCNCCNC=O)[C@H]C[C@H]3CN)=O)))))))))C=O)ccnnC)n5
|
[C][C][N][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][C@H1][C][C@H1][Ring1][Ring1][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][N][=Ring1][=Branch1]
|
c17cnn(C)n1.[C@H]18C[C@H]19.N345.C5C6.C28=O.C9(N)=O.C37=O.CC4.N26
|
[C][C][N][Branch][C][C][N][C][=Branch][=O][pop][CH1][C][CH1][Branch][C][Branch][N][pop][=O][pop][Ring1][Ring1][pop][C][=Branch][=O][pop][C][C][=N][N][Branch][C][pop][N][=Ring1][=Branch]
|
COCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2ccccc2o1
|
COCCNCC[C@H]CC[C@@H]C8)N5C=O)cccccccc6o9
|
[C][O][C][C][N][C][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2]
|
N15CC[C@H]2CC[C@@H](C1)N23.c16cc2ccccc2o1.C4C5.C36=O.CO4
|
[C][O][C][C][N][C][C][CH1][C][C][CH1][Branch][C][Ring1][O][pop][N][Branch][C][=Branch][=O][pop][C][=C][C][=C][C][=C][C][=C][Branch][O][Ring1][N][pop][Ring1][=Branch][pop][Ring1][=Branch]
|
O=C1C[C@H](CC(=O)OCCOCC2CC2)c2ccccc2N1
|
O=CC[C@H]CC=O)OCCOCCCC3))))))))))cccccc6N%10
|
[O][=C][C][C@H1][Branch1][S][C][C][=Branch1][C][=O][O][C][C][O][C][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1]
|
O=C1C[C@H](CC3=O)c2ccccc2N1.C4C5.C17CC1.O34.O56.C67
|
[O][=C][C][CH1][Branch][C][C][=Branch][=O][pop][O][C][C][O][C][C][C][C][Ring1][Ring1][pop][C][=C][C][=C][C][=C][Branch][N][Ring2][Ring1][O][pop][Ring1][=Branch]
|
O=C(c1cnn(-c2cccc(F)c2)c1)N1CCCC1
|
O=Cccnn-cccccF)c6))))))c5)))))NCCCC5
|
[O][=C][Branch2][Ring1][Branch1][C][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Ring1][N][N][C][C][C][C][Ring1][Branch1]
|
c15cccc(F)c1.c14cnn5c1.N13CCCC1.O=C34
|
[O][=C][Branch][C][C][=N][N][Branch][C][=C][C][=C][C][Branch][F][pop][=C][Ring1][#Branch][pop][C][=Ring1][#C][pop][N][C][C][C][C][Ring1][Branch]
|
C#CCNC(=O)[C@H](C)NCCNC(=O)c1cn(C)ccc1=O
|
C#CCNC=O)[C@H]C)NCCNC=O)ccnC)ccc6=O
|
[C][#C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=C][C][Ring1][#Branch1][=O]
|
c18cn(C)ccc1=O.C2(=O)[C@@H]5C.C#CC4.C6C7.C38=O.N24.N56.N37
|
[C][#C][C][N][C][=Branch][=O][pop][CH1][Branch][C][pop][N][C][C][N][C][=Branch][=O][pop][C][=C][N][Branch][C][pop][C][=C][C][=Branch][=O][pop][Ring1][#Branch]
|
O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]1CF
|
O=CNCCncc[N+]=O)[O-]))cn5))))))))NCCC[C@H]5CF
|
[O][=C][Branch2][Ring1][C][N][C][C][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][Branch2][N][C][C][C][C@H1][Ring1][Branch1][C][F]
|
n15cc([N+](=O)[O-])cn1.N13CCC[C@H]16.O=C23.C4C5.N24.C6F
|
[O][=C][Branch][N][C][C][N][C][=C][Branch][NH0+1][=Branch][=O][pop][OH0-1][pop][C][=N][Ring1][O][pop][N][C][C][C][CH1][Branch][C][F][pop][Ring1][Branch]
|
C[C@H]1C[C@H]1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1
|
C[C@H]C[C@H]3C=O)NCC#CccccCF)F)F))cc6
|
[C][C@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
|
C3C#Cc1ccc5cc1.C[C@H]1C[C@H]14.C5(F)(F)F.C24=O.N23
|
[C][CH1][C][CH1][Branch][C][=Branch][=O][pop][N][C][C][#C][C][=C][C][=C][Branch][C][Branch][F][pop][Branch][F][pop][F][pop][C][=C][Ring1][=N][pop][Ring1][Ring1]
|
CN(C)[C@H]1C[C@H](Nc2nnccc2-c2nn[nH]n2)C1(C)C
|
CNC)[C@H]C[C@H]Ncnnccc6-cnn[nH]n5))))))))))))C4C)C
|
[C][N][Branch1][C][C][C@H1][C][C@H1][Branch1][P][N][C][=N][N][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][Ring1][S][Branch1][C][C][C]
|
[C@H]14C[C@H]5C1(C)C.c13nnccc16.c16nn[nH]n1.CN4C.N35
|
[C][N][Branch][C][pop][CH1][C][CH1][Branch][N][C][=N][N][=C][C][=C][Branch][C][N][=N][N][N][=Ring1][Branch][pop][Ring1][=Branch][pop][C][Branch][C][pop][Branch][C][pop][Ring2][Ring1][Ring1]
|
CCC(O)(CC)CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1
|
CCCO)CC))CNC=O)[C@@H]CCCNC=O)Ncccccc6))))))))C6
|
[C][C][C][Branch1][C][O][Branch1][Ring1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C]
|
CCC(O)(C6)CC.[C@@H]18CCCN4C1.c17ccccc1.C38=O.C45=O.N36.N57
|
[C][C][C][Branch][O][pop][Branch][C][C][pop][C][N][C][=Branch][=O][pop][CH1][C][C][C][N][Branch][C][=Branch][=O][pop][N][C][=C][C][=C][C][=C][Ring1][=Branch][pop][C][Ring2][Ring1][C]
|
CCc1cc(O)n(-c2nc3c(Cl)cccc3s2)n1
|
CCcccO)n-cnccCl)cccc6s9)))))))))n5
|
[C][C][C][C][=C][Branch1][C][O][N][Branch1][P][C][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][N][=Ring1][S]
|
c15nc2c(Cl)cccc2s1.c14cc(O)n5n1.CC4
|
[C][C][C][C][=C][Branch][O][pop][N][Branch][C][=N][C][=C][Branch][Cl][pop][C][=C][C][=C][Branch][S][Ring1][=N][pop][Ring1][#Branch][pop][N][=Ring2][Ring1][Ring1]
|
C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2ccon2)C1)n1cccn1
|
C[C@H]C=O)NC[C@@H]O)[C@H]NC=O)CCcccon5)))))))))C5))))))ncccn5
|
[C][C@H1][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][=C][O][N][=Ring1][Branch1][C][Ring1][S][N][C][=C][C][=N][Ring1][Branch1]
|
N13C[C@@H]5[C@H](O)C1.C[C@@H]6C3=O.C4(=O)CC7.c17ccon1.n16cccn1.N45
|
[C][CH1][Branch][C][=Branch][=O][pop][N][C][CH1][Branch][O][pop][CH1][Branch][N][C][=Branch][=O][pop][C][C][C][C][=C][O][N][=Ring1][Branch][pop][C][Ring2][Ring1][Ring1][pop][N][C][=C][C][=N][Ring1][Branch]
|
CN(C)c1ncc(CNC(=O)CCC2CCCCC2)n1C
|
CNC)cnccCNC=O)CCCCCCCC6)))))))))))n5C
|
[C][N][Branch1][C][C][C][=N][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][Ring1][=Branch1][N][Ring1][P][C]
|
c15ncc6n1C.C17CCCCC1.C3(=O)CC7.CN5C.C46.N34
|
[C][N][Branch][C][pop][C][=N][C][=C][Branch][C][N][C][=Branch][=O][pop][C][C][C][C][C][C][C][C][Ring1][=Branch][pop][N][Branch][C][pop][Ring2][Ring1][Ring2]
|
CC[C@@H](C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1)N(C)C
|
CC[C@@H]C=O)NCCCO[C@@H]CNCC=O)NCC#N))))))))C7))))))))NC)C
|
[C][C][C@@H1][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][O][C@@H1][Branch1][N][C][N][C][C][=Branch1][C][=O][N][C][C][#N][C][Ring1][S][N][Branch1][C][C][C]
|
N12CCCO[C@@H]8C1.CC[C@H]4C2=O.C6C3=O.C7C#N.N4(C)C.C58.N56.N37
|
[C][C][CH1][Branch][C][=Branch][=O][pop][N][C][C][C][O][CH1][Branch][C][N][C][C][=Branch][=O][pop][N][C][C][#N][pop][C][Ring2][Ring1][Ring1][pop][N][Branch][C][pop][C]
|
CC1(C)O[C@H]2O[C@H]3[C@H](OC(=O)[C@H]3OC[C@H]3CCOC3)[C@H]2O1
|
CCC)O[C@H]O[C@H][C@H]OC=O)[C@H]5OC[C@H]CCOC5))))))))))[C@H]5O8
|
[C][C][Branch1][C][C][O][C@H1][O][C@H1][C@H1][Branch2][Ring1][C][O][C][=Branch1][C][=O][C@H1][Ring1][=Branch1][O][C][C@H1][C][C][O][C][Ring1][Branch1][C@H1][Ring1][S][O][Ring2][Ring1][Ring2]
|
CC1(C)O[C@H]2O[C@H]3[C@H](OC(=O)[C@H]35)[C@H]2O1.[C@H]16CCOC1.O45.C46
|
[C][C][Branch][C][pop][O][CH1][O][CH1][CH1][Branch][O][C][=Branch][=O][pop][CH1][Branch][O][C][CH1][C][C][O][C][Ring1][Branch][pop][Ring1][=Branch][pop][CH1][Branch][O][Ring2][Ring1][#Branch][pop][Ring2][Ring1][Ring1]
|
c1nn(CC2CCC2)cc1CN1CCC([C@H]2CCOC2)CC1
|
cnnCCCCC4)))))cc5CNCCC[C@H]CCOC5)))))CC6
|
[C][=N][N][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C][=C][Ring1][#Branch2][C][N][C][C][C][Branch1][Branch2][C@H1][C][C][O][C][Ring1][Branch1][C][C][Ring1][O]
|
N13CCC([C@H]2CCOC2)CC1.c1nn4cc16.C15CCC1.C45.C36
|
[C][=N][N][Branch][C][C][C][C][C][Ring1][Ring2][pop][C][=C][Branch][C][N][C][C][C][Branch][CH1][C][C][O][C][Ring1][Branch][pop][C][C][Ring1][=C][pop][Ring1][=N]
|
C[C@@H](C(=O)Nc1ccccc1)N1CCC[C@@]2(C1)NC(=O)NC2=O
|
C[C@@H]C=O)Ncccccc6))))))))NCCC[C@@]C6)NC=O)NC5=O
|
[C][C@@H1][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C@@][Branch1][Ring2][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O]
|
N14CCC[C@@]2(C1)NC(=O)NC2=O.c15ccccc1.C[C@H]4C3=O.N35
|
[C][CH1][Branch][C][=Branch][=O][pop][N][C][=C][C][=C][C][=C][Ring1][=Branch][pop][N][C][C][C][C][Branch][C][Ring1][=Branch][pop][N][C][=Branch][=O][pop][N][C][=Branch][=O][pop][Ring1][#Branch]
|
CC(C)(C)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1
|
CCC)C)OCC=O)NCCcccc[N+]=O)[O-]))cc6C%10
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring1][=N]
|
N13CCc2ccc([N+](=O)[O-])cc2C1.CC4(C)C.C5C3=O.O45
|
[C][C][Branch][C][pop][Branch][C][pop][O][C][C][=Branch][=O][pop][N][C][C][C][=C][C][=C][Branch][NH0+1][=Branch][=O][pop][OH0-1][pop][C][=C][Branch][C][Ring1][S][pop][Ring1][N]
|
CC(C)c1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)CC2(C)CC2)n[nH]1
|
CCC)cccC=O)NC[C@H]CC[C@@H]C7)N5C=O)CCC)CC3)))))))))))))n[nH]5
|
[C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][Ring1][Ring2][=N][NH1][Ring2][Ring1][=Branch1]
|
N14C[C@H]2CC[C@@H](C1)N25.c17cc6n[nH]1.C5(=O)C8.C18(C)CC1.CC7C.C46=O
|
[C][C][Branch][C][pop][C][=C][C][Branch][C][=Branch][=O][pop][N][C][CH1][C][C][CH1][Branch][C][Ring1][#Branch][pop][N][Branch][C][=Branch][=O][pop][C][C][Branch][C][pop][C][C][Ring1][Ring2][pop][Ring1][=Branch][pop][=N][N][Ring2][Ring1][N]
|
O=C(Cc1ccccc1)N[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1O
|
O=CCcccccc6)))))))N[C@@H]CNC=O)[C@H]F)CF)F)F))))C[C@H]5O
|
[O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C@H1][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][C][C@H1][Ring1][=N][O]
|
C3(=O)[C@H](F)C(F)(F)F.[C@@H]14CN3C[C@H]1O.c15ccccc1.O=C2C5.N24
|
[O][=C][Branch][C][C][=C][C][=C][C][=C][Ring1][=Branch][pop][N][CH1][C][N][Branch][C][=Branch][=O][pop][CH1][Branch][F][pop][C][Branch][F][pop][Branch][F][pop][F][pop][C][CH1][Branch][O][pop][Ring1][S]
|
CC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(C(C)C)oc1C
|
CC=O)N[C@@H]cccccc6C[C@H]9NC=O)cccCC)C))oc5C
|
[C][C][=Branch1][C][=O][N][C@@H1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][O][C][=Ring1][Branch2][C]
|
N3[C@@H]1c2ccccc2C[C@H]15.c16cc7oc1C.CC3=O.C46=O.C7(C)C.N45
|
[C][C][=Branch][=O][pop][N][CH1][C][=C][C][=C][C][=C][Branch][C][CH1][Branch][N][C][=Branch][=O][pop][C][C][=C][Branch][C][Branch][C][pop][C][pop][O][C][Branch][C][pop][=Ring1][O][pop][Ring1][N][pop][Ring1][=Branch]
|
Cc1c(CN2CCC[C@@H](Oc3cccnc3)C2)nc2ccccn12
|
CccCNCCC[C@@H]Occccnc6)))))))C6)))))))ncccccn96
|
[C][C][=C][Branch2][Ring1][Branch1][C][N][C][C][C][C@@H1][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=N][N][=C][C][=C][C][=C][N][Ring2][Ring1][#Branch1][Ring1][=Branch1]
|
Cc1c7nc2ccccn12.N16CCC[C@@H]4C1.c15cccnc1.C67.O45
|
[C][C][=C][Branch][C][N][C][C][C][CH1][Branch][O][C][=C][C][=C][N][=C][Ring1][=Branch][pop][C][Ring1][S][pop][N][=C][C][=C][C][=C][N][Ring2][Ring1][=N][Ring1][=Branch]
|
C/C=C/C[C@@H]1NC(=O)N(Cc2cnn3ccccc23)C1=O
|
C/C=C/C[C@@H]NC=O)NCccnnccccc96))))))))))C5=O
|
[C][/C][=C][/C][C@@H1][N][C][=Branch1][C][=O][N][Branch1][#C][C][C][C][=N][N][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][C][Ring1][S][=O]
|
c17cnn2ccccc12.[C@@H]16NC(=O)N5C1=O.C=4C6.CC=4.C57
|
[C][/C][=C][/C][CH1][N][C][=Branch][=O][pop][N][Branch][C][C][C][=N][N][C][=C][C][=C][C][=Ring1][N][Ring1][=Branch][pop][C][=Branch][=O][pop][Ring2][Ring1][Ring1]
|
C[C@H](NCCc1cnc(SC2CCCC2)nc1)C1CCOCC1
|
C[C@H]NCCccncSCCCCC5))))))nc6)))))))))CCCOCC6
|
[C][C@H1][Branch2][Ring1][=Branch1][N][C][C][C][=C][N][=C][Branch1][=Branch2][S][C][C][C][C][C][Ring1][Branch1][N][=C][Ring1][N][C][C][C][O][C][C][Ring1][=Branch1]
|
c16cnc7nc1.C15CCOCC1.C18CCCC1.C[C@H]35.C4C6.N34.S78
|
[C][CH1][Branch][N][C][C][C][=C][N][=C][Branch][S][C][C][C][C][C][Ring1][Branch][pop][N][=C][Ring1][#C][pop][C][C][C][O][C][C][Ring1][=Branch]
|
C/C=C(/C)C(=O)NC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1O
|
C/C=C/C)C=O)NC[C@@H]CNC=O)CNCC=O)NC5=O))))))))C[C@@H]5O
|
[C][/C][=C][Branch1][C][/C][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][N][C][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][C@@H1][Ring1][#C][O]
|
[C@@H]18CN4C[C@@H]1O.N17CC(=O)NC1=O.C=6(C)C3=O.C4(=O)C7.CC=6.N35.C58
|
[C][/C][=C][Branch][/C][pop][C][=Branch][=O][pop][N][C][CH1][C][N][Branch][C][=Branch][=O][pop][C][N][C][C][=Branch][=O][pop][N][C][=Branch][=O][pop][Ring1][=Branch][pop][C][CH1][Branch][O][pop][Ring2][Ring1][C]
|
O=S(=O)(Nc1cccc2nccn12)c1ccc(F)cc1
|
O=S=O)Ncccccnccn95))))))))))ccccF)cc6
|
[O][=S][=Branch1][C][=O][Branch1][#C][N][C][=C][C][=C][C][=N][C][=C][N][Ring1][=Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
O=S3(=O)c1ccc(F)cc1.c14cccc2nccn12.N34
|
[O][=S][=Branch][=O][pop][Branch][N][C][=C][C][=C][C][=N][C][=C][N][Ring1][N][Ring1][Branch][pop][C][=C][C][=C][Branch][F][pop][C][=C][Ring1][#Branch]
|
COC[C@H](NC(=O)N1CCNC(=O)C1)c1ccccc1
|
COC[C@H]NC=O)NCCNC=O)C6))))))))cccccc6
|
[C][O][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
N13CCNC(=O)C1.c16ccccc1.C4[C@H]56.C23=O.CO4.N25
|
[C][O][C][CH1][Branch][N][C][=Branch][=O][pop][N][C][C][N][C][=Branch][=O][pop][C][Ring1][#Branch][pop][C][=C][C][=C][C][=C][Ring1][=Branch]
|
CC(C)[C@@H](O)CN1CC[C@@]2(CCc3ccccc3O2)C1
|
CCC)[C@@H]O)CNCC[C@@]CCcccccc6O%10)))))))))C5
|
[C][C][Branch1][C][C][C@@H1][Branch1][C][O][C][N][C][C][C@@][Branch1][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][Ring1][=C]
|
N14CC[C@@]2(CCc3ccccc3O2)C1.CC(C)[C@@H](O)C4
|
[C][C][Branch][C][pop][CH1][Branch][O][pop][C][N][C][C][C][Branch][C][C][C][=C][C][=C][C][=C][Branch][O][Ring1][=N][pop][Ring1][=Branch][pop][C][Ring1][P]
|
Cc1cc(CC#N)ccc1NC(C)(C)CCN(C)C
|
CcccCC#N)))ccc6NCC)C)CCNC)C
|
[C][C][=C][C][Branch1][Ring2][C][C][#N][=C][C][=C][Ring1][=Branch2][N][C][Branch1][C][C][Branch1][C][C][C][C][N][Branch1][C][C][C]
|
Cc1cc5ccc14.C2(C)(C)CC3.C5C#N.N3(C)C.N24
|
[C][C][=C][C][Branch][C][C][#N][pop][=C][C][=C][Branch][N][C][Branch][C][pop][Branch][C][pop][C][C][N][Branch][C][pop][C][pop][Ring1][N]
|
CNc1ncccc1C(=O)NC[C@@H](C)S(C)(=O)=O
|
CNcncccc6C=O)NC[C@@H]C)SC)=O)=O
|
[C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O]
|
c14ncccc15.C3[C@@H](C)S(C)(=O)=O.C25=O.CN4.N23
|
[C][N][C][=N][C][=C][C][=C][Branch][C][=Branch][=O][pop][N][C][CH1][Branch][C][pop][S][Branch][C][pop][=Branch][=O][pop][=O][pop][Ring1][=Branch]
|
NC(=O)COc1ccccc1C(=O)NN1CCCCC1
|
NC=O)COcccccc6C=O)NNCCCCC6
|
[N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][N][C][C][C][C][C][Ring1][=Branch1]
|
C4(=O)NN1CCCCC1.c13ccccc14.NC(=O)C2.O23
|
[N][C][=Branch][=O][pop][C][O][C][=C][C][=C][C][=C][Branch][C][=Branch][=O][pop][N][N][C][C][C][C][C][Ring1][=Branch][pop][Ring1][=Branch]
|
CCn1nncc1C(=O)N[C@@H]1CCN(CCNC(=O)NC(C)C)C1
|
CCnnncc5C=O)N[C@@H]CCNCCNC=O)NCC)C)))))))C5
|
[C][C][N][N][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch1][=C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][=C]
|
n1%10nncc19.[C@@H]18CCN5C1.C29=O.C5C6.C34=O.C7(C)C.CC%10.N28.N36.N47
|
[C][C][N][N][=N][C][=C][Branch][C][=Branch][=O][pop][N][CH1][C][C][N][Branch][C][C][N][C][=Branch][=O][pop][N][C][Branch][C][pop][C][pop][C][Ring1][P][pop][Ring1][Branch]
|
CC[C@]1(C)CN(c2nnc(-c3ccc[nH]3)n2CCC2CC2)CCO1
|
CC[C@]C)CNcnnc-cccc[nH]5)))))n5CCCCC3))))))))))CCO6
|
[C][C][C@][Branch1][C][C][C][N][Branch2][Ring1][Branch2][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][N][Ring1][#Branch2][C][C][C][C][C][Ring1][Ring1][C][C][O][Ring2][Ring1][=Branch1]
|
[C@@]16(C)CN4CCO1.c14nnc8n15.c18ccc[nH]1.C5C7.C17CC1.CC6
|
[C][C][C][Branch][C][pop][C][N][Branch][C][=N][N][=C][Branch][C][=C][C][=C][N][Ring1][Branch][pop][N][Branch][C][C][C][C][C][Ring1][Ring1][pop][Ring1][=N][pop][C][C][O][Ring2][Ring1][N]
|
CO[C@H](C)CCNC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC
|
CO[C@H]C)CCNC=O)N[C@@H]CS=O)=O)C[C@@H]5OC
|
[C][O][C@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@@H1][Ring1][#Branch1][O][C]
|
[C@@H]17CS(=O)(=O)C[C@@H]15.[C@@H]4(C)CC6.C23=O.CO4.N26.N37.O5C
|
[C][O][CH1][Branch][C][pop][C][C][N][C][=Branch][=O][pop][N][CH1][C][S][=Branch][=O][pop][=Branch][=O][pop][C][CH1][Branch][O][C][pop][Ring1][#Branch]
|
CC(C)[C@H](CCN(C)C(=O)Cn1ncnn1)Nc1ccc(C#N)nn1
|
CCC)[C@H]CCNC)C=O)Cnncnn5))))))))))NccccC#N))nn6
|
[C][C][Branch1][C][C][C@H1][Branch2][Ring1][Ring1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][N][=C][N][=N][Ring1][Branch1][N][C][=C][C][=C][Branch1][Ring1][C][#N][N][=N][Ring1][Branch2]
|
c15ccc(C#N)nn1.CC(C)[C@@H]3CC4.n16ncnn1.C2(=O)C6.N24C.N35
|
[C][C][Branch][C][pop][CH1][Branch][C][C][N][Branch][C][pop][C][=Branch][=O][pop][C][N][N][=C][N][=N][Ring1][Branch][pop][N][C][=C][C][=C][Branch][C][#N][pop][N][=N][Ring1][O]
|
CCS(=O)(=O)c1ccnc(N[C@H]2CNC[C@@H]2CO)c1
|
CCS=O)=O)cccncN[C@H]CNC[C@@H]5CO))))))))c6
|
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=N][C][Branch1][O][N][C@H1][C][N][C][C@@H1][Ring1][Branch1][C][O][=C][Ring1][=C]
|
CCS(=O)(=O)c1ccnc3c1.[C@H]14CNC[C@@H]15.N34.C5O
|
[C][C][S][=Branch][=O][pop][=Branch][=O][pop][C][=C][C][=N][C][Branch][N][CH1][C][N][C][CH1][Branch][C][O][pop][Ring1][Branch][pop][=C][Ring1][P]
|
CCOc1cc(N[C@@H](C)CN(C)C(=O)CCC2CC2)ncn1
|
CCOcccN[C@@H]C)CNC)C=O)CCCCC3))))))))))ncn6
|
[C][C][O][C][=C][C][Branch2][Ring1][=Branch1][N][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Ring1][=N][C][=N][Ring2][Ring1][Ring1]
|
c15cc8ncn1.C3(=O)CC9.[C@H]6(C)C7.N37C.C19CC1.CC4.O45.N68
|
[C][C][O][C][=C][C][Branch][N][CH1][Branch][C][pop][C][N][Branch][C][pop][C][=Branch][=O][pop][C][C][C][C][C][Ring1][Ring1][pop][=N][C][=N][Ring2][Ring1][=Branch]
|
COC(=O)NCC(=O)N[C@H](CNC(=O)[C@H](C)SC)C1CCCC1
|
COC=O)NCC=O)N[C@H]CNC=O)[C@H]C)SC))))))CCCCC5
|
[C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@H1][Branch1][=N][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][S][C][C][C][C][C][C][Ring1][Branch1]
|
C5(=O)[C@@H]9C.C1%10CCCC1.C6C4=O.[C@H]7%10C8.C23=O.CO2.N36.N47.N58.S9C
|
[C][O][C][=Branch][=O][pop][N][C][C][=Branch][=O][pop][N][CH1][Branch][C][N][C][=Branch][=O][pop][CH1][Branch][C][pop][S][C][pop][C][C][C][C][C][Ring1][Branch]
|
CCCN(C(=O)[C@H]1CC12CCOCC2)[C@H]1CC(=O)N(C)C1=O
|
CCCNC=O)[C@H]CC3CCOCC6)))))))))[C@H]CC=O)NC)C5=O
|
[C][C][C][N][Branch1][P][C][=Branch1][C][=O][C@H1][C][C][Ring1][Ring1][C][C][O][C][C][Ring1][=Branch1][C@H1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch1][=O]
|
[C@H]16CC12CCOCC2.[C@H]15CC(=O)N(C)C1=O.CCC4.N345.C36=O
|
[C][C][C][N][Branch][C][=Branch][=O][pop][CH1][C][C][Branch][C][C][O][C][C][Ring1][=Branch][pop][Ring1][Ring1][pop][CH1][C][C][=Branch][=O][pop][N][Branch][C][pop][C][=Branch][=O][pop][Ring1][#Branch]
|
CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)NC[C@H]4CCCCS4)[C@@H]1[C@H]3C2
|
CO[C@@H][C@H]C[C@@H]CNC=O)NC[C@H]CCCCS6)))))))))[C@@H]7[C@H]5C8
|
[C][O][C@@H1][C@H1][C][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C][S][Ring1][=Branch1][C@@H1][Ring1][P][C@H1][Ring1][#C][C][Ring2][Ring1][C]
|
[C@@H]17[C@H]2C[C@@H]3CN5[C@@H]1[C@H]3C2.[C@H]19CCCCS1.C56=O.CO7.N68.C89
|
[C][O][CH1][CH1][C][CH1][C][N][Branch][C][=Branch][=O][pop][N][C][CH1][C][C][C][C][S][Ring1][=Branch][pop][CH1][Branch][CH1][Branch][C][Ring2][Ring1][Branch][pop][Ring2][Ring1][C][pop][Ring2][Ring1][Ring2]
|
C[C@@H]1CN([C@H](C)C(N)=O)CC[C@H](c2ccccc2)O1
|
C[C@@H]CN[C@H]C)CN)=O)))CC[C@H]cccccc6))))))O7
|
[C][C@@H1][C][N][Branch1][#Branch2][C@H1][Branch1][C][C][C][Branch1][C][N][=O][C][C][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][C]
|
C[C@@H]1CN3CC[C@H]4O1.c14ccccc1.[C@@H]3(C)C(N)=O
|
[C][CH1][C][N][Branch][CH1][Branch][C][pop][C][Branch][N][pop][=O][pop][C][C][CH1][Branch][C][=C][C][=C][C][=C][Ring1][=Branch][pop][O][Ring2][Ring1][Branch]
|
C[C@H](CCN[C@H](C)c1ccccc1)NC(=O)c1ccncc1
|
C[C@H]CCN[C@H]C)cccccc6))))))))))NC=O)cccncc6
|
[C][C@H1][Branch1][S][C][C][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
c17ccccc1.c16ccncc1.C[C@@H]3CC4.[C@H]57C.C26=O.N45.N23
|
[C][CH1][Branch][C][C][N][CH1][Branch][C][pop][C][=C][C][=C][C][=C][Ring1][=Branch][pop][N][C][=Branch][=O][pop][C][=C][C][=N][C][=C][Ring1][=Branch]
|
OC1(C(F)(F)F)CCN(CN2CCSC2=S)CC1
|
OCCF)F)F))CCNCNCCSC5=S)))))))CC6
|
[O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][N][Branch1][#Branch2][C][N][C][C][S][C][Ring1][Branch1][=S][C][C][Ring1][P]
|
OC13CCN(CN2CCSC2=S)CC1.C3(F)(F)F
|
[O][C][Branch][C][Branch][F][pop][Branch][F][pop][F][pop][C][C][N][Branch][C][N][C][C][S][C][=Branch][=S][pop][Ring1][Branch][pop][C][C][Ring2][Ring1][Ring2]
|
O=C(O)c1ccc2c(c1)C(=O)/C(=C/c1ccc(F)cc1)O2
|
O=CO)cccccc6)C=O)/C=C/ccccF)cc6)))))))O5
|
[O][=C][Branch1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][/C][=Branch1][=N][=C][/C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][#C]
|
c13ccc2c(c1)C(=O)C=4O2.C=4c1ccc(F)cc1.O=C3O
|
[O][=C][Branch][O][pop][C][=C][C][=C][C][=Branch][=C][Ring1][=Branch][pop][C][=Branch][=O][pop][/C][=Branch][=C][/C][=C][C][=C][Branch][F][pop][C][=C][Ring1][#Branch][pop][O][Ring2][Ring1][C]
|
CCCC(=O)NC[C@@H]1CN([C@@H](C)C(=O)N(C)C)CCCO1
|
CCCC=O)NC[C@@H]CN[C@@H]C)C=O)NC)C))))CCCO7
|
[C][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][N][Branch1][=C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][O][Ring1][=C]
|
[C@@H]16CN5CCCO1.CCCC2=O.[C@H]5(C)C3=O.N3(C)C.N24.C46
|
[C][C][C][C][=Branch][=O][pop][N][C][CH1][C][N][Branch][CH1][Branch][C][pop][C][=Branch][=O][pop][N][Branch][C][pop][C][pop][C][C][C][O][Ring1][P]
|
O=C(Nc1ccn(CC(F)F)n1)[C@H](O)c1ccccc1Cl
|
O=CNcccnCCF)F)))n5))))))[C@H]O)cccccc6Cl
|
[O][=C][Branch1][P][N][C][C][=C][N][Branch1][#Branch1][C][C][Branch1][C][F][F][N][=Ring1][=Branch2][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
|
c15ccccc1Cl.c13ccn4n1.O=C2[C@@H]5O.C4C(F)F.N23
|
[O][=C][Branch][N][C][C][=C][N][Branch][C][C][Branch][F][pop][F][pop][N][=Ring1][N][pop][CH1][Branch][O][pop][C][=C][C][=C][C][=C][Branch][Cl][pop][Ring1][=Branch]
|
CC[C@@H](NCCOc1cccnc1)c1cc(F)ccc1F
|
CC[C@@H]NCCOccccnc6))))))))))cccF)ccc6F
|
[C][C][C@@H1][Branch1][=N][N][C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F]
|
c16cc(F)ccc1F.c13cccnc1.CC[C@@H]46.C5C2.N45.O23
|
[C][C][CH1][Branch][N][C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch][pop][C][=C][C][Branch][F][pop][=C][C][=C][Branch][F][pop][Ring1][#Branch]
|
CCCN(CC(=O)N(C)C)C(=O)c1cccc2c1CCC2
|
CCCNCC=O)NC)C))))C=O)cccccc6CCC5
|
[C][C][C][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1]
|
c17cccc2c1CCC2.C6C3=O.CCC5.N456.N3(C)C.C47=O
|
[C][C][C][N][Branch][C][C][=Branch][=O][pop][N][Branch][C][pop][C][pop][C][=Branch][=O][pop][C][=C][C][=C][C][=C][Branch][C][C][C][Ring1][Branch][pop][Ring1][=Branch]
|
O=C1N[C@H](C(=O)NC2CN(C(=O)Cn3ccnc3)C2)CO1
|
O=CN[C@H]C=O)NCCNC=O)Cnccnc5)))))))C4))))))CO5
|
[O][=C][N][C@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][N][C][=C][N][=C][Ring1][Branch1][C][Ring1][N][C][O][Ring2][Ring1][Ring2]
|
O=C1N[C@H]7CO1.C16CN5C1.n18ccnc1.C5(=O)C8.C47=O.N46
|
[O][=C][N][CH1][Branch][C][=Branch][=O][pop][N][C][C][N][Branch][C][=Branch][=O][pop][C][N][C][=C][N][=C][Ring1][Branch][pop][C][Ring1][#C][pop][C][O][Ring2][Ring1][#Branch]
|
O=C(NC[C@@H]1CN(C(=O)CCCF)C[C@@H]1O)c1cccnn1
|
O=CNC[C@@H]CNC=O)CCCF)))))C[C@@H]5O))))))))ccccnn6
|
[O][=C][Branch2][Ring1][Branch1][N][C][C@@H1][C][N][Branch1][=Branch2][C][=Branch1][C][=O][C][C][C][F][C][C@@H1][Ring1][O][O][C][=C][C][=C][N][=N][Ring1][=Branch1]
|
[C@@H]16CN3C[C@@H]1O.C3(=O)CCCF.c15cccnn1.O=C25.N24.C46
|
[O][=C][Branch][N][C][CH1][C][N][Branch][C][=Branch][=O][pop][C][C][C][F][pop][C][CH1][Branch][O][pop][Ring1][=C][pop][C][=C][C][=C][N][=N][Ring1][=Branch]
|
CC(=O)NCC(=O)NCC(=O)NCc1cccc(N)c1
|
CC=O)NCC=O)NCC=O)NCcccccN)c6
|
[C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1]
|
c18cccc(N)c1.C5C3=O.C6C4=O.CC2=O.N25.N36.N47.C78
|
[C][C][=Branch][=O][pop][N][C][C][=Branch][=O][pop][N][C][C][=Branch][=O][pop][N][C][C][=C][C][=C][C][Branch][N][pop][=C][Ring1][#Branch]
|
COc1nscc1CNC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1C1CC1
|
COcnscc5CNC[C@H]CCCCN6C=O)[C@@H]C[C@H]3CCC3
|
[C][O][C][=N][S][C][=C][Ring1][Branch1][C][N][C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][C][C][Ring1][Ring1]
|
[C@H]17CCCCN12.c13nscc18.[C@@H]16C[C@H]1C1CC1.C26=O.CO3.C48.N45.C57
|
[C][O][C][=N][S][C][=C][Branch][C][N][C][CH1][C][C][C][C][N][Branch][C][=Branch][=O][pop][CH1][C][CH1][Branch][C][C][C][Ring1][Ring1][pop][Ring1][Ring1][pop][Ring1][=Branch][pop][Ring1][Branch]
|
COCc1nc(NC2(CO)COC2)cc(OC)n1
|
COCcncNCCO))COC4)))))ccOC))n6
|
[C][O][C][C][=N][C][Branch1][N][N][C][Branch1][Ring1][C][O][C][O][C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=N][Ring1][#C]
|
c17nc4cc6n1.C158COC1.CO3.C37.N56.C8O.O4C
|
[C][O][C][C][=N][C][Branch][N][C][Branch][C][O][pop][C][O][C][Ring1][=Branch][pop][=C][C][Branch][O][C][pop][=N][Ring2][Ring1][C]
|
C[C@H]1CCCN(C(C)(C)CNC(=O)N2CC3(CCCC3)C2)C1
|
C[C@H]CCCNCC)C)CNC=O)NCCCCCC5))))C4))))))))C6
|
[C][C@H1][C][C][C][N][Branch2][Ring1][N][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][Branch2][C][Ring2][Ring1][Branch1]
|
N15CC2(CCCC2)C1.C[C@H]1CCCN6C1.C6(C)(C)C7.C45=O.N47
|
[C][CH1][C][C][C][N][Branch][C][Branch][C][pop][Branch][C][pop][C][N][C][=Branch][=O][pop][N][C][C][Branch][C][C][C][C][Ring1][Branch][pop][C][Ring1][O][pop][C][Ring2][Ring1][O]
|
CNC(=O)CN1C[C@H]2C(NC(=O)COCCN(C)C)[C@@H]2C1
|
CNC=O)CNC[C@H]CNC=O)COCCNC)C))))))))[C@@H]3C6
|
[C][N][C][=Branch1][C][=O][C][N][C][C@H1][C][Branch1][#C][N][C][=Branch1][C][=O][C][O][C][C][N][Branch1][C][C][C][C@@H1][Ring1][=N][C][Ring1][S]
|
N17C[C@H]2C9[C@@H]2C1.C3(=O)C7.C4(=O)C5.C6C8.N8(C)C.CN3.N49.O56
|
[C][N][C][=Branch][=O][pop][C][N][C][CH1][C][Branch][N][C][=Branch][=O][pop][C][O][C][C][N][Branch][C][pop][C][pop][CH1][Branch][C][Ring2][Ring1][Ring1][pop][Ring1][S]
|
CN1C(=O)CC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1
|
CNC=O)CC[C@H]5C=O)N[C@H]CCCNC=O)[C@H]CCC=O)N5))))))C6
|
[C][N][C][=Branch1][C][=O][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][Ring1][=C]
|
CN1C(=O)CC[C@H]16.[C@H]15CCCN4C1.[C@H]17CCC(=O)N1.C36=O.C47=O.N35
|
[C][N][C][=Branch][=O][pop][C][C][CH1][Branch][C][=Branch][=O][pop][N][CH1][C][C][C][N][Branch][C][=Branch][=O][pop][CH1][C][C][C][=Branch][=O][pop][N][Ring1][=Branch][pop][C][Ring1][P][pop][Ring1][=Branch]
|
COCCN1C[C@H](C(=O)NC[C@H]2CN(C)CCN2C)CC1=O
|
COCCNC[C@H]C=O)NC[C@H]CNC)CCN6C))))))))))CC5=O
|
[C][O][C][C][N][C][C@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch1][C][C][C][C][N][Ring1][#Branch1][C][C][C][Ring1][P][=O]
|
[C@H]18CN(C)CCN1C.N17C[C@H]6CC1=O.C4C7.C36=O.CO4.N35.C58
|
[C][O][C][C][N][C][CH1][Branch][C][=Branch][=O][pop][N][C][CH1][C][N][Branch][C][pop][C][C][N][Branch][C][pop][Ring1][#Branch][pop][C][C][=Branch][=O][pop][Ring2][Ring1][Ring2]
|
COCCN1C[C@H](C(=O)NCCC2(C)OCCO2)CC1=O
|
COCCNC[C@H]C=O)NCCCC)OCCO5)))))))))CC5=O
|
[C][O][C][C][N][C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][O][C][C][O][Ring1][=Branch1][C][C][Ring1][S][=O]
|
N17C[C@H]6CC1=O.C18(C)OCCO1.C4C7.C36=O.C5C8.CO4.N35
|
[C][O][C][C][N][C][CH1][Branch][C][=Branch][=O][pop][N][C][C][C][Branch][C][pop][O][C][C][O][Ring1][=Branch][pop][C][C][=Branch][=O][pop][Ring2][Ring1][Ring1]
|
CC(C)(C(=O)N1CC[C@H](NCC2CCCC2)C1)C(F)(F)F
|
CCC)C=O)NCC[C@H]NCCCCCC5)))))))C5))))))CF)F)F
|
[C][C][Branch1][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][Branch1][C][Ring1][N][C][Branch1][C][F][Branch1][C][F][F]
|
CC(C)(C3=O)C(F)(F)F.N13CC[C@H]5C1.C16CCCC1.N45.C46
|
[C][C][Branch][C][pop][Branch][C][=Branch][=O][pop][N][C][C][CH1][Branch][N][C][C][C][C][C][C][Ring1][Branch][pop][C][Ring1][#C][pop][C][Branch][F][pop][Branch][F][pop][F]
|
CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CN(Cc2ccn(C)c(=O)c2)C[C@@H]1O
|
CNC=O)[C@@H]CNC=O)N5))))))[C@H]CNCcccnC)c=O)c6)))))))C[C@@H]5O
|
[C][N][Branch1][#C][C][=Branch1][C][=O][C@@H1][C][N][C][=Branch1][C][=O][N][Ring1][=Branch1][C@H1][C][N][Branch1][S][C][C][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][C][C@@H1][Ring1][=C][O]
|
c17ccn(C)c(=O)c1.[C@H]15CN4C[C@@H]1O.[C@@H]16CNC(=O)N1.CN35.C36=O.C47
|
[C][N][Branch][C][=Branch][=O][pop][CH1][C][N][C][=Branch][=O][pop][N][Ring1][=Branch][pop][CH1][C][N][Branch][C][C][C][=C][N][Branch][C][pop][C][=Branch][=O][pop][C][=Ring1][O][pop][C][CH1][Branch][O][pop][Ring1][P]
|
O=C(c1ccc(-c2cnn(CCO)c2)cc1)N1CCNCC1
|
O=Ccccc-ccnnCCO)))c5)))))cc6))))))NCCNCC6
|
[O][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][C][=N][N][Branch1][Ring2][C][C][O][C][=Ring1][Branch2][C][=C][Ring1][=C][N][C][C][N][C][C][Ring1][=Branch1]
|
c14ccc6cc1.c16cnn5c1.N13CCNCC1.O=C34.C5CO
|
[O][=C][Branch][C][=C][C][=C][Branch][C][C][=N][N][Branch][C][C][O][pop][C][=Ring1][O][pop][C][=C][Ring1][P][pop][N][C][C][N][C][C][Ring1][=Branch]
|
CCc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)C#N)C2)nn1C
|
CCcccC=O)NC[C@H]O)[C@@H]NC)C=O)[C@@H]C)C#N)))))C5))))))nn5C
|
[C][C][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C@@H1][Branch1][#C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][#N][C][Ring1][=C][=N][N][Ring2][Ring1][Branch1][C]
|
c17cc6nn1C.N13C[C@H]5[C@@H](O)C1.C4(=O)[C@@H](C)C#N.C36=O.N45C.CC7
|
[C][C][C][=C][C][Branch][C][=Branch][=O][pop][N][C][CH1][Branch][O][pop][CH1][Branch][N][Branch][C][pop][C][=Branch][=O][pop][CH1][Branch][C][pop][C][#N][pop][C][Ring1][P][pop][=N][N][Branch][C][pop][Ring2][Ring1][O]
|
Cc1cc(C(=O)OCCCN2CCCCC2)cc(Cl)n1
|
CcccC=O)OCCCNCCCCC6)))))))))))ccCl)n6
|
[C][C][=C][C][Branch1][P][C][=Branch1][C][=O][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][Branch1][C][Cl][=N][Ring2][Ring1][Ring1]
|
Cc1cc6cc(Cl)n1.N15CCCCC1.C4CC5.C36=O.O34
|
[C][C][=C][C][Branch][C][=Branch][=O][pop][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch][pop][=C][C][Branch][Cl][pop][=N][Ring2][Ring1][=Branch]
|
CCn1nc(C(=O)N2CC[C@@H](NC(C)=O)[C@@H](O)C2)ccc1=O
|
CCnncC=O)NCC[C@@H]NCC)=O)))[C@@H]O)C6)))))))ccc6=O
|
[C][C][N][N][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C@@H1][Branch1][C][O][C][Ring1][O][C][=C][C][Ring2][Ring1][Ring1][=O]
|
n17nc6ccc1=O.N13CC[C@@H]5[C@@H](O)C1.C36=O.C4(C)=O.CC7.N45
|
[C][C][N][N][=C][Branch][C][=Branch][=O][pop][N][C][C][CH1][Branch][N][C][Branch][C][pop][=O][pop][CH1][Branch][O][pop][C][Ring1][=C][pop][C][=C][C][=Branch][=O][pop][Ring2][Ring1][=Branch]
|
C[C@H]1CN(C(=O)c2ccoc2)CC[C@@H]1NCc1cc(O)ccc1Cl
|
C[C@H]CNC=O)cccoc5))))))CC[C@@H]6NCcccO)ccc6Cl
|
[C][C@H1][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][C@@H1][Ring1][=N][N][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Cl]
|
C[C@H]1CN3CC[C@@H]15.c17cc(O)ccc1Cl.c16ccoc1.C36=O.N45.C47
|
[C][CH1][C][N][Branch][C][=Branch][=O][pop][C][C][=C][O][C][=Ring1][Branch][pop][C][C][CH1][Branch][N][C][C][=C][C][Branch][O][pop][=C][C][=C][Branch][Cl][pop][Ring1][#Branch][pop][Ring1][S]
|
NC(=O)C(=O)N1CCCC[C@@H]1CN[C@H]1CCCNC1=O
|
NC=O)C=O)NCCCC[C@@H]6CN[C@H]CCCNC6=O
|
[N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][N][C@H1][C][C][C][N][C][Ring1][=Branch1][=O]
|
N12CCCC[C@@H]15.[C@H]14CCCNC1=O.NC(=O)C2=O.C35.N34
|
[N][C][=Branch][=O][pop][C][=Branch][=O][pop][N][C][C][C][C][CH1][Branch][C][N][CH1][C][C][C][N][C][=Branch][=O][pop][Ring1][=Branch][pop][Ring1][=Branch]
|
CC(C)C[C@H](CN)NC(=O)Cc1cccc(OC(F)F)c1
|
CCC)C[C@H]CN))NC=O)CcccccOCF)F)))c6
|
[C][C][Branch1][C][C][C][C@H1][Branch1][Ring1][C][N][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2]
|
CC(C)C[C@@H]4CN.c15cccc3c1.C2(=O)C5.O3C(F)F.N24
|
[C][C][Branch][C][pop][C][CH1][Branch][C][N][pop][N][C][=Branch][=O][pop][C][C][=C][C][=C][C][Branch][O][C][Branch][F][pop][F][pop][=C][Ring1][=N]
|
CCC[C@H]1CC[C@H](C(=O)N2CC3(CCN(C)C3)C2)CC1
|
CCC[C@H]CC[C@H]C=O)NCCCCNC)C5))))C4)))))CC6
|
[C][C][C][C@H1][C][C][C@H1][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][#Branch2][C][C][N][Branch1][C][C][C][Ring1][=Branch1][C][Ring1][=Branch2][C][C][Ring1][P]
|
N14CC2(CCN(C)C2)C1.[C@H]16CC[C@H]5CC1.CCC6.C45=O
|
[C][C][C][CH1][C][C][CH1][Branch][C][=Branch][=O][pop][N][C][C][Branch][C][C][N][Branch][C][pop][C][Ring1][=Branch][pop][C][Ring1][N][pop][C][C][Ring2][Ring1][Ring2]
|
C[C@@H](C(=O)N(C)CCN(C)CCCC1CCOCC1)S(C)(=O)=O
|
C[C@@H]C=O)NC)CCNC)CCCCCCOCC6))))))))))))))SC)=O)=O
|
[C][C@@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Branch1][C][C][C][C][C][C][C][C][O][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O]
|
C[C@@H](C2=O)S(C)(=O)=O.C16CCOCC1.C5CC6.N23C.C3C4.N45C
|
[C][CH1][Branch][C][=Branch][=O][pop][N][Branch][C][pop][C][C][N][Branch][C][pop][C][C][C][C][C][C][O][C][C][Ring1][=Branch][pop][S][Branch][C][pop][=Branch][=O][pop][=O]
|
COc1cccc(C(=O)N[C@H](C)CNCc2ccccc2Cl)n1
|
COcccccC=O)N[C@H]C)CNCcccccc6Cl)))))))))))))n6
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][Branch1]
|
c14cccc8n1.c19ccccc1Cl.[C@@H]5(C)C6.C38=O.CO4.N35.N67.C79
|
[C][O][C][=C][C][=C][C][Branch][C][=Branch][=O][pop][N][CH1][Branch][C][pop][C][N][C][C][=C][C][=C][C][=C][Branch][Cl][pop][Ring1][=Branch][pop][=N][Ring2][Ring1][O]
|
C[C@@H](CC(=O)Nc1cccc(N(C)C)n1)c1ccncc1
|
C[C@@H]CC=O)NcccccNC)C))n6)))))))))cccncc6
|
[C][C@@H1][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
c13cccc4n1.C[C@H]5CC2=O.c15ccncc1.N4(C)C.N23
|
[C][CH1][Branch][C][C][=Branch][=O][pop][N][C][=C][C][=C][C][Branch][N][Branch][C][pop][C][pop][=N][Ring1][N][pop][C][=C][C][=N][C][=C][Ring1][=Branch]
|
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