SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
O=C(Cc1ccsc1)N[C@H](C(=O)N1C[C@H]2COC[C@H]2C1)c1ccoc1
|
O=CCcccsc5))))))N[C@H]C=O)NC[C@H]COC[C@H]5C8)))))))))cccoc5
|
[O][=C][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][N][C@H1][Branch1][P][C][=Branch1][C][=O][N][C][C@H1][C][O][C][C@H1][Ring1][Branch1][C][Ring1][Branch2][C][C][=C][O][C][=Ring1][Branch1]
|
N14C[C@H]2COC[C@H]2C1.c16ccsc1.[C@H]57C4=O.c17ccoc1.O=C3C6.N35
|
O=C(NC[C@H]1C=CCN1C(=O)c1ccc2nn[nH]c2c1)c1ccco1
|
O=CNC[C@H]C=CCN5C=O)ccccnn[nH]c5c9)))))))))))))))))cccco5
|
[O][=C][Branch2][Ring1][O][N][C][C@H1][C][=C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][C][=C][O][Ring1][Branch1]
|
c17ccc2nn[nH]c2c1.[C@H]18C=CCN14.c16ccco1.O=C36.C47=O.N35.C58
|
CC(=CC(=O)NC1CC(N(C)C(=O)c2ccc(=N)[nH]n2)C1)C(C)(C)C
|
CC=CC=O)NCCCNC)C=O)cccc=N)[nH]n6))))))))C4)))))))CC)C)C
|
[C][C][=Branch2][Ring2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=N][NH1][N][=Ring1][#Branch1][C][Ring1][#C][C][Branch1][C][C][Branch1][C][C][C]
|
c17ccc(=N)[nH]n1.CC=8C(C)(C)C.C15CC6C1.C=8C3=O.N46C.C47=O.N35
|
CC[C@H](C)[C@H](C)C(=O)N[C@H]1CC12CCN(C(=O)c1cc(COC)cs1)CC2
|
CC[C@H]C)[C@H]C)C=O)N[C@H]CC3CCNC=O)cccCOC)))cs5))))))CC6
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][Ring1][Ring1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][Ring2][C][O][C][=C][S][Ring1][Branch2][C][C][Ring1][S]
|
[C@H]16CC12CCN4CC2.CC[C@H](C)[C@H](C)C3=O.c17cc8cs1.C47=O.N36.C58.O5C
|
c1ccc([C@H]2CC[C@H]2CNCc2ccc(-c3ccccn3)nc2)cc1
|
cccc[C@H]CC[C@H]4CNCcccc-cccccn6))))))nc6)))))))))))))cc6
|
[C][=C][C][=C][Branch2][Ring1][N][C@H1][C][C][C@H1][Ring1][Ring2][C][N][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch2]
|
c17ccc8nc1.c1ccc9cc1.c18ccccn1.[C@H]19CC[C@H]16.C46.N45.C57
|
CC(=O)OC1(C(=O)N2CC[C@@]3(CCN(C(=O)c4cc5n(n4)CCO5)C3)C2)CC1
|
CC=O)OCC=O)NCC[C@@]CCNC=O)cccnn5)CCO5))))))))C5))))C5))))))CC3
|
[C][C][=Branch1][C][=O][O][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][C@@][Branch2][Ring1][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][O][Ring1][=Branch1][C][Ring1][#C][C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][Branch2]
|
N17CC[C@@]2(CCN8C2)C1.c1%10cc2n(n1)CCO2.C19%11CC1.CC6=O.C7%11=O.C8%10=O.O69
|
C[C@H](NC=O)C(=O)N1CCN(C(=O)[C@H](C)N2CCCCCC2)C[C@H]1c1cn[nH]c1
|
C[C@H]NC=O)))C=O)NCCNC=O)[C@H]C)NCCCCCC7)))))))))C[C@H]6ccn[nH]c5
|
[C][C@H1][Branch1][Ring2][N][C][=O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][C][C][C][C][C][Ring1][#Branch1][C][C@H1][Ring1][P][C][C][=N][NH1][C][=Ring1][Branch1]
|
N13CCN4C[C@H]17.N16CCCCCC1.C[C@H]5C3=O.C4(=O)[C@@H]6C.c17cn[nH]c1.N5C=O
|
CS(=O)(=O)N[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@H]2NC(=O)Cn2cc(Cl)cn2)C1
|
CS=O)=O)N[C@H]C[C@@H]C=O)N[C@@H]CCC[C@H]5NC=O)CnccCl)cn5)))))))))))))))C4
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@@H1][C][C][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][Cl][C][=N][Ring1][=Branch1][C][Ring2][Ring1][=Branch1]
|
[C@@H]17CCC[C@H]18.n1%10cc(Cl)cn1.[C@H]16C[C@@H]9C1.CS5(=O)=O.C4(=O)C%10.C39=O.N56.N37.N48
|
CCc1ccc(C(=O)N2CC[C@](O)([C@H](C)NC(=O)c3ncn(C)c3C)C2)[nH]1
|
CCccccC=O)NCC[C@]O)[C@H]C)NC=O)cncnC)c5C)))))))))C5))))))[nH]5
|
[C][C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][O][Branch2][Ring1][Branch1][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][=C][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][Ring2][Ring1][C][NH1][Ring2][Ring1][=Branch2]
|
N14CC[C@@]%10(O)C1.c18ncn(C)c1C.c19ccc7[nH]1.C47=O.[C@@H]6%10C.C58=O.CC9.N56
|
O=C(NCC1(CNC(=O)c2c[nH]nc2C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cn1
|
O=CNCCCNC=O)cc[nH]nc5CF)F)F))))))))))CC3)))))cccc[N+]=O)[O-]))cn6
|
[O][=C][Branch2][Ring1][S][N][C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][=Branch2]
|
c17ccc([N+](=O)[O-])cn1.c18c[nH]nc19.C1%10%11CC1.C9(F)(F)F.O=C37.C48=O.N35.C5%10.C6%11.N46
|
CON1CCC(C(=O)N(C)C[C@@H](C)N(C)C(=O)[C@H](C(C)C)n2ccnc2)CC1
|
CONCCCC=O)NC)C[C@@H]C)NC)C=O)[C@H]CC)C))nccnc5))))))))))))CC6
|
[C][O][N][C][C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][C][Ring2][Ring1][#Branch2]
|
CON1CCC7CC1.C4(=O)[C@@H]8C(C)C.n18ccnc1.C5[C@H]6C.C37=O.N35C.N46C
|
CS[C@H](C)C(=O)NC1CCN(C(=O)[C@@H]2O[C@@H]3CCCC[C@@H]3[C@@H]2C)CC1
|
CS[C@H]C)C=O)NCCCNC=O)[C@@H]O[C@@H]CCCC[C@@H]6[C@@H]9C)))))))))))CC6
|
[C][S][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@@H1][O][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C@@H1][Ring1][=Branch2][C][C][C][Ring2][Ring1][C]
|
[C@@H]18O[C@@H]2CCCC[C@@H]2[C@@H]1C.C17CCN5CC1.[C@@H]6(C)C4=O.C58=O.CS6.N47
|
CCC1(C)CC(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1
|
CCCC)CCC=O)NC[C@@H]F)C[C@H]5CNC=O)cc[nH]nc5[N+]=O)[O-]))))))))))))))))C4
|
[C][C][C][Branch1][C][C][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][F][C][C@H1][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][N+1][=Branch1][C][=O][O-1][C][Ring2][Ring1][=Branch2]
|
c17c[nH]nc1[N+](=O)[O-].N13C[C@@H](F)C[C@H]18.C19(C)CC6C1.C36=O.C47=O.CC9.C58.N45
|
COCCS(=O)(=O)c1ccc(NC(=O)c2cc(C)c(C#N)[nH]2)cc1
|
COCCS=O)=O)ccccNC=O)cccC)cC#N))[nH]5)))))))cc6
|
[C][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][NH1][Ring1][Branch2][C][=C][Ring1][P]
|
C4CS(=O)(=O)c1ccc5cc1.c16cc(C)c(C#N)[nH]1.C36=O.CO4.N35
|
Cc1cnn(C)c1CNC(=O)[C@H](F)CC1CN(C(=O)C2(C)CCCCCC2)C1
|
CccnnC)c5CNC=O)[C@H]F)CCCNC=O)CC)CCCCCC7))))))))C4
|
[C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][F][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][C][C][C][Ring1][Branch2][C][Ring1][=C]
|
C16(C)CCCCCC1.Cc1cnn(C)c17.C3(=O)[C@H](F)C8.C18CN4C1.C46=O.C57.N35
|
CC1CC(C)(C(=O)N2CC(F)(CNC(=O)[C@@H](C)N3CCC(O)CC3)C2)C1
|
CCCCC)C=O)NCCF)CNC=O)[C@@H]C)NCCCO)CC6))))))))))C4)))))C4
|
[C][C][C][C][Branch1][C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][Ring2][Ring1][C][C][Ring2][Ring1][=Branch2]
|
N17CCC(O)CC1.CC1CC8(C)C1.N14CC9(F)C1.C5(=O)[C@H]7C.C48=O.C69.N56
|
CN(Cc1cocn1)C(=O)N=c1[nH]onc1-c1cccc(Cl)c1
|
CNCccocn5))))))C=O)N=c[nH]onc5-cccccCl)c6
|
[C][N][Branch1][=Branch2][C][C][=C][O][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][=C][NH1][O][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
|
C2(=O)N=c1[nH]onc15.c15cccc(Cl)c1.c14cocn1.CN23.C34
|
COCC1(CC(=O)N2C[C@H]3CC[C@H]2CN3C(=O)C[C@@H]2CSCCO2)CC1
|
COCCCC=O)NC[C@H]CC[C@H]6CN6C=O)C[C@@H]CSCCO6))))))))))))))))))CC3
|
[C][O][C][C][Branch2][Ring1][#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@@H1][C][S][C][C][O][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch1]
|
N14C[C@H]2CC[C@H]1CN25.[C@@H]17CSCCO1.C189CC1.C9C4=O.C5(=O)C7.CO6.C68
|
CS(C)(=O)=Nc1ccc(NCc2conc2CCC(=O)O)cc1
|
CSC)=O)=NccccNCcconc5CCC=O)O)))))))))))cc6
|
[C][S][Branch1][C][C][=Branch1][C][=O][=N][C][=C][C][=C][Branch1][P][N][C][C][=C][O][N][=C][Ring1][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C]
|
CS(C)(=O)=Nc1ccc4cc1.c16conc15.C5CC(=O)O.N34.C36
|
COc1ccccc1C(=O)C(=O)N1CCN(C)[C@H](CNC(=O)CC[C@@H]2C[C@H]2C)C1
|
COcccccc6C=O)C=O)NCCNC)[C@H]CNC=O)CC[C@@H]C[C@H]3C)))))))))C6
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][C@@H1][C][C@H1][Ring1][Ring1][C][C][Ring1][P]
|
N13CCN(C)[C@H]8C1.c15ccccc17.C7(=O)C3=O.C4(=O)CC9.[C@@H]19C[C@H]1C.CO5.C68.N46
|
O=C(c1ccnnc1)N1C[C@@H]2CN(C(=O)[C@@H]3CC4CC3C4)[C@@H](CO)[C@@H]2C1
|
O=Ccccnnc6))))))NC[C@@H]CNC=O)[C@@H]CCCC5C4)))))))[C@@H]CO))[C@@H]5C8
|
[O][=C][Branch1][=Branch2][C][=C][C][=N][N][=C][Ring1][=Branch1][N][C][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C@@H1][C][C][C][C][Ring1][Branch1][C][Ring1][Ring2][C@@H1][Branch1][Ring1][C][O][C@@H1][Ring1][#C][C][Ring2][Ring1][C]
|
N15C[C@@H]2CN6[C@@H]9[C@@H]2C1.c18ccnnc1.[C@@H]17CC2CC1C2.O=C58.C67=O.C9O
|
C=Cn1nccc1C(=O)NC[C@]12C[C@H]1CN(C(=O)CCC[C@@H](C)CC)C2
|
C=Cnnccc5C=O)NC[C@]C[C@H]3CNC=O)CCC[C@@H]C)CC)))))))C6
|
[C][=C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@][C][C@H1][Ring1][Ring1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C@@H1][Branch1][C][C][C][C][C][Ring1][#C]
|
C4(=O)CCC[C@@H](C)CC.C=Cn1nccc16.[C@]127C[C@H]1CN4C2.C36=O.N35.C57
|
CNC(=O)N[C@H]1CCN(c2ccncc2S(=O)(=O)NCC2([C@@H](O)C(C)C)CC2)C1
|
CNC=O)N[C@H]CCNcccncc6S=O)=O)NCC[C@@H]O)CC)C)))CC3))))))))))))C5
|
[C][N][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch2][Ring2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][#Branch2][C@@H1][Branch1][C][O][C][Branch1][C][C][C][C][C][Ring1][Branch2][C][Ring2][Ring1][Branch2]
|
c17ccncc1S6(=O)=O.[C@H]18CCN7C1.[C@H]%10(O)C(C)C.C19%10CC1.C34=O.CN3.N48.N56.C59
|
CO[C@]1(CNC(=O)c2sccc2Cl)CCN(C(=O)c2ccc(NC(C)=O)cc2)C1
|
CO[C@]CNC=O)csccc5Cl)))))))))CCNC=O)ccccNCC)=O)))cc6)))))))C5
|
[C][O][C@][Branch1][#C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][Cl][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][Ring2][Ring1][O]
|
[C@@]16%11CCN4C1.c1%10ccc8cc1.c19sccc1Cl.C39=O.C4%10=O.C5(C)=O.CO6.C7%11.N37.N58
|
C#CCNC(=O)CC(=O)N[C@@H]1CC[C@@H](C)N(C(=O)CN(C)S(=O)(=O)N(C)C)C1
|
C#CCNC=O)CC=O)N[C@@H]CC[C@@H]C)NC=O)CNC)S=O)=O)NC)C))))))C6
|
[C][#C][C][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C@@H1][C][C][C@@H1][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring2][Ring1][C]
|
[C@@H]17CC[C@@H](C)N4C1.N6(C)S(=O)(=O)N(C)C.C2(=O)CC3=O.C4(=O)C6.C#CC5.N25.N37
|
CNS(=O)(=O)c1ccsc1C(=O)N1C[C@H]2COCC[C@@]2(NC(=O)CCC(C)C)C1
|
CNS=O)=O)cccsc5C=O)NC[C@H]COCC[C@@]6NC=O)CCCC)C))))))C9
|
[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][C][O][C][C][C@@][Ring1][=Branch1][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][C][C][Ring1][P]
|
N13C[C@H]2COCC[C@@]26C1.S5(=O)(=O)c1ccsc17.C4(=O)CCC(C)C.C37=O.CN5.N46
|
CN(CCCCCNC(=O)c1cc(O)cs1)C(=O)c1nc2cc(F)ccc2s1
|
CNCCCCCNC=O)cccO)cs5))))))))))))C=O)cncccF)ccc6s9
|
[C][N][Branch2][Ring1][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][S][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2]
|
c18nc2cc(F)ccc2s1.C5CCCC6.c17cc(O)cs1.CN45.C37=O.C48=O.N36
|
C=CC[C@@H](NC(=O)c1ccsn1)C(=O)N[C@H]1CCN(C)CC1(C)C
|
C=CC[C@@H]NC=O)cccsn5)))))))C=O)N[C@H]CCNC)CC6C)C
|
[C][=C][C][C@@H1][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][N][=Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C]
|
[C@H]15CCN(C)CC1(C)C.C=CC[C@@H]4C3=O.c16ccsn1.C26=O.N24.N35
|
Cc1ccc(C=CC(=O)NC(C)(C)[C@H](C)NC(=O)[C@@H](C)C(F)F)cc1
|
CccccC=CC=O)NCC)C)[C@H]C)NC=O)[C@@H]C)CF)F)))))))))))cc6
|
[C][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][Branch1][C][F][F][C][=C][Ring2][Ring1][Branch2]
|
Cc1ccc(C=6)cc1.C3(=O)[C@@H](C)C(F)F.C4(C)(C)[C@@H]5C.C=6C2=O.N24.N35
|
O=C1NC(=O)c2c(NC(=O)[C@H]3CN(Cc4cc(Br)ccc4O)CCS3)cccc21
|
O=CNC=O)ccNC=O)[C@H]CNCcccBr)ccc6O))))))))CCS6))))))))cccc69
|
[O][=C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C@H1][C][N][Branch1][=C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C][S][Ring1][#C][C][=C][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][N]
|
O=C1NC(=O)c2c7cccc21.c19cc(Br)ccc1O.[C@H]18CN6CCS1.C58=O.N57.C69
|
CC(C)C[C@H](NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C)C(=O)NCC(=O)NC1CCC1
|
CCC)C[C@H]NC=O)[C@@H][C@H]CC[C@@H]C5)[C@@H]6C)))))))))C=O)NCC=O)NCCCC4
|
[C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@@H1][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C@@H1][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring2]
|
CC(C)C[C@H]6C4=O.[C@@H]19[C@H]2CC[C@@H](C2)[C@@H]1C.C7C5=O.C18CCC1.C39=O.N36.N47.N58
|
CCC[C@@H](CC)C(=O)N1CCN(C(=O)C(C)(C)c2ccc(F)cc2)C[C@H]1C
|
CCC[C@@H]CC))C=O)NCCNC=O)CC)C)ccccF)cc6))))))))C[C@H]6C
|
[C][C][C][C@@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C@H1][Ring2][Ring1][C][C]
|
CCC[C@@H](CC)C3=O.N13CCN4C[C@H]1C.c15ccc(F)cc1.C4(=O)C5(C)C
|
O=C(N[C@@H]1CCCCCN(C(=O)c2cc(Br)n[nH]2)C1)c1cnc2[nH]ncc2c1
|
O=CN[C@@H]CCCCCNC=O)cccBr)n[nH]5))))))C8)))))))))ccnc[nH]ncc5c9
|
[O][=C][Branch2][Ring1][N][N][C@@H1][C][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=N][NH1][Ring1][=Branch1][C][Ring1][S][C][=C][N][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]
|
[C@@H]15CCCCCN4C1.c17cnc2[nH]ncc2c1.c16cc(Br)n[nH]1.O=C37.C46=O.N35
|
C#CC1(C(=O)NC[C@@H]2CC[C@H](O)C2)CN(C(=O)Cc2ccn(C)n2)C1
|
C#CCC=O)NC[C@@H]CC[C@H]O)C5))))))))CNC=O)CcccnC)n5)))))))C4
|
[C][#C][C][Branch1][P][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@H1][Branch1][C][O][C][Ring1][=Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][C][Ring2][Ring1][#Branch1]
|
C#CC16CN4C1.[C@@H]18CC[C@H](O)C1.c17ccn(C)n1.C4(=O)C7.C36=O.N35.C58
|
CCSC1CCC(C(=O)N[C@H](C)C[C@H](C)NC(=O)[C@@H](O)c2cccnc2)CC1
|
CCSCCCCC=O)N[C@H]C)C[C@H]C)NC=O)[C@@H]O)ccccnc6))))))))))))))CC6
|
[C][C][S][C][C][C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch2]
|
C1%10CCC8CC1.[C@@H]5(C)C[C@@H]6C.c19cccnc1.C4(=O)[C@H]9O.C38=O.CC7.S7%10.N35.N46
|
CCCCCC(=O)NC[C@H]1CCCN(C(=O)CN(C)c2ccc(C#N)cc2F)C1
|
CCCCCC=O)NC[C@H]CCCNC=O)CNC)ccccC#N))cc6F))))))))))C6
|
[C][C][C][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][F][C][Ring2][Ring1][Ring2]
|
c17ccc(C#N)cc1F.CCCCCC3=O.[C@H]18CCCN4C1.C4(=O)C6.N67C.N35.C58
|
CC#CCCC(=O)NC[C@@H]1CCN(C(=O)C2(n3cnnn3)CC2)CC1(F)F
|
CC#CCCC=O)NC[C@@H]CCNC=O)Cncnnn5)))))CC3))))CC6F)F
|
[C][C][#C][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][C][Ring1][Branch2][C][C][Ring1][S][Branch1][C][F][F]
|
[C@@H]18CCN5CC1(F)F.CC#CCCC4=O.n19cnnn1.C179CC1.C57=O.N46.C68
|
CCCN(C(C)C)[C@@H](C(=O)NCCCC(=O)OCC)c1cc(OC)c(F)cc1F
|
CCCNCC)C))[C@@H]C=O)NCCCC=O)OCC)))))))))cccOC))cF)cc6F
|
[C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C@@H1][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][O][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][F][C][=C][Ring1][=Branch2][F]
|
c1%10cc5c(F)cc1F.C9CCC2=O.[C@@H]8%10C3=O.CCC6.N678.C7(C)C.N39.O24.C4C.O5C
|
NC1CCC(N[C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1
|
NCCCCN[C@@H]CCNC=O)COcccccc6)))))))))C5))))))CC6
|
[N][C][C][C][C][Branch2][Ring1][=Branch2][N][C@@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][C][C][Ring2][Ring1][=Branch1]
|
NC1CCC7CC1.[C@@H]18CCN4C1.c16ccccc1.C4(=O)C5.N78.O56
|
C[C@@H]1OCC[C@]1(F)C(=O)N1CCC[C@@]2(CCCC[C@H]2NC(=O)c2nc(Cl)cs2)C1
|
C[C@@H]OCC[C@]5F)C=O)NCCC[C@@]CCCC[C@H]6NC=O)cncCl)cs5))))))))))))C6
|
[C][C@@H1][O][C][C][C@][Ring1][Branch1][Branch1][C][F][C][=Branch1][C][=O][N][C][C][C][C@@][Branch2][Ring1][#Branch1][C][C][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][S][Ring1][=Branch1][C][Ring2][Ring1][Ring2]
|
N13CCC[C@@]2(CCCC[C@H]25)C1.C[C@@H]1OCC[C@@]17F.c16nc(Cl)cs1.C37=O.C46=O.N45
|
C=C[C@@H](C)CC(=O)NC[C@H](NC(=O)CSCC(=O)OC)c1ccccc1
|
C=C[C@@H]C)CC=O)NC[C@H]NC=O)CSCC=O)OC))))))))cccccc6
|
[C][=C][C@@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][S][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
C=C[C@@H](C)CC3=O.c19ccccc1.C5[C@H]69.C4(=O)C7.C8C2=O.N35.N46.S78.O2C
|
COC1(CNC(=O)C=CSCc2ccco2)CCN(C(=O)[C@@H]2CC2(Cl)Cl)CC1
|
COCCNC=O)C=CSCcccco5))))))))))))CCNC=O)[C@@H]CC3Cl)Cl)))))CC6
|
[C][O][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][S][C][C][=C][C][=C][O][Ring1][Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][C][C][Ring2][Ring1][#Branch2]
|
C15%10CCN4CC1.C3(=O)C=CS7.c19ccco1.[C@@H]18CC1(Cl)Cl.C48=O.CO5.C6%10.N36.C79
|
Cc1cc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2CC(=O)NC2[C@H](O)C[C@H]2O)sn1
|
CcccC=O)N[C@@H]CC[C@@H]C5)[C@H]6CC=O)NC[C@H]O)C[C@H]4O)))))))))))))))sn5
|
[C][C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][Branch1][O][S][N][=Ring2][Ring1][Branch2]
|
N14[C@@H]2CC[C@@H](C2)[C@H]18.Cc1cc7sn1.C16[C@H](O)C[C@H]1O.C8C5=O.C47=O.N56
|
C#CCC1(C(=O)N2CCN(C(=O)CCc3ccc(Cl)s3)C3(CCC3)C2)CC1
|
C#CCCC=O)NCCNC=O)CCccccCl)s5))))))))CCCC4)))C6)))))))CC3
|
[C][#C][C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][Branch2]
|
N14CCN5C2(CCC2)C1.c17ccc(Cl)s1.C5(=O)CC7.C168CC1.C#CC8.C46=O
|
Cc1cncc(C(=O)N2CCCN(C(=O)C3(C)CC(C)C3)C[C@@H]2C(C)C)c1
|
CccnccC=O)NCCCNC=O)CC)CCC)C4)))))C[C@@H]7CC)C))))))))))c6
|
[C][C][=C][N][=C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][=Branch1][C][C@@H1][Ring1][#C][C][Branch1][C][C][C][=C][Ring2][Ring1][#Branch2]
|
N14CCCN5C[C@@H]18.Cc1cncc7c1.C16(C)CC(C)C1.C47=O.C56=O.C8(C)C
|
CCCCCC(C)(C)C(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H](C3CC3)CC2)C1
|
CCCCCCC)C)C=O)N[C@@H]CCC[C@@H]C=O)NCCC[C@@H]CCC3)))CC7))))))))C6
|
[C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C@@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][#Branch2][C][Ring2][Ring1][C]
|
CCCCCC(C)(C)C4=O.N15CCC[C@@H](C2CC2)CC1.[C@@H]16CCC[C@@H]7C1.C57=O.N46
|
C[C@H](CNC(=O)[C@H](C)CCCc1ccccc1)CN(C)C(=O)C=Cc1ccsc1
|
C[C@H]CNC=O)[C@H]C)CCCcccccc6)))))))))))))CNC)C=O)C=Ccccsc5
|
[C][C@H1][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][C][=C][S][C][=Ring1][Branch1]
|
C2(=O)[C@H](C)CCC7.c17ccccc1.C=6c1ccsc1.C[C@H](C4)C5.C3(=O)C=6.N35C.N24
|
C[C@@H](C1CCCC1)N(C)C(=O)C[C@@H](NC(=O)COc1ccsc1)C(C)(C)C
|
C[C@@H]CCCCC5)))))NC)C=O)C[C@@H]NC=O)COcccsc5)))))))))CC)C)C
|
[C][C@@H1][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][O][C][C][=C][S][C][=Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C]
|
C2(=O)C[C@@H]7C(C)(C)C.C18CCCC1.c15ccsc1.C3(=O)C4.C[C@H]68.N26C.N37.O45
|
CC[C@](C)(CCC(C)C)C(=O)N1CC[C@@]2(CCCN(C(=O)C(F)=C3CCC3)C2)C1
|
CC[C@]C)CCCC)C))))C=O)NCC[C@@]CCCNC=O)CF)=CCCC4))))))C6)))))C5
|
[C][C][C@][Branch1][C][C][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C@@][Branch2][Ring1][Branch2][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][Branch1][C][F][=C][C][C][C][Ring1][Ring2][C][Ring1][=C][C][Ring2][Ring1][C]
|
CC[C@](C)(CCC(C)C)C4=O.N14CC[C@@]2(CCCN5C2)C1.C5(=O)C=6F.C1=6CCC1
|
CO[C@H](C(=O)N[C@@H]1CCN(CC(F)(F)C(F)F)[C@@H](C)C1)[C@@H]1CCOC1
|
CO[C@H]C=O)N[C@@H]CCNCCF)F)CF)F))))[C@@H]C)C6))))))))[C@@H]CCOC5
|
[C][O][C@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch1][=C][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][C@@H1][Branch1][C][C][C][Ring1][=C][C@@H1][C][C][O][C][Ring1][Branch1]
|
[C@@H]15CCN4[C@@H](C)C1.C4C(F)(F)C(F)F.[C@H]36C2=O.[C@@H]16CCOC1.CO3.N25
|
CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)CCc3nc(Cl)n[nH]3)C2)CC1
|
CNC)[C@@H]CCCNC=O)[C@@H]CCCNC=O)CCcncCl)n[nH]5))))))))C6)))))))CC7
|
[C][N][Branch1][C][C][C@@H1][C][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C@@H1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][=N][C][Branch1][C][Cl][=N][NH1][Ring1][=Branch1][C][Ring1][S][C][C][Ring2][Ring1][=Branch2]
|
[C@@H]16CCCN4CC1.[C@@H]17CCCN5C1.c18nc(Cl)n[nH]1.C5(=O)CC8.CN6C.C47=O
|
O=C(CCOC1CC1)NCCC[C@@H]1CN(C(=O)c2cc(CO)on2)CCO1
|
O=CCCOCCC3))))))NCCC[C@@H]CNC=O)cccCO))on5))))))CCO6
|
[O][=C][Branch1][=Branch2][C][C][O][C][C][C][Ring1][Ring1][N][C][C][C][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][Branch1][Ring1][C][O][O][N][=Ring1][#Branch1][C][C][O][Ring1][#C]
|
[C@@H]19CN4CCO1.c18cc%10on1.O=C3CC5.C7CC9.C16CC1.C48=O.O56.N37.C%10O
|
CCC(CC)[C@H](F)C(=O)NC12CC(NC(=O)CC(C)(C)COC(C)=O)(C1)C2
|
CCCCC))[C@H]F)C=O)NCCCNC=O)CCC)C)COCC)=O))))))))C4)C4
|
[C][C][C][Branch1][Ring1][C][C][C@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][O][C][Branch1][C][C][=O][Branch1][Ring2][C][Ring1][S][C][Ring1][P]
|
CCC(CC)[C@H](F)C4=O.C5(=O)CC(C)(C)C6.C127CC8(C1)C2.C3(C)=O.N47.N58.O36
|
COC(OC)C(=O)N[C@H](C(=O)N[C@@H]1CCC(=O)NC1(C)C)[C@H]1CC=CCC1
|
COCOC))C=O)N[C@H]C=O)N[C@@H]CCC=O)NC6C)C)))))))))[C@H]CC=CCC6
|
[C][O][C][Branch1][Ring1][O][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][Branch1][C][C][C][C@H1][C][C][=C][C][C][Ring1][=Branch1]
|
[C@@H]17CCC(=O)NC1(C)C.[C@H]18CC=CCC1.C45C2=O.[C@H]68C3=O.CO4.O5C.N26.N37
|
C[C@H](NC(=O)c1cccc2c1CCC2)C1CN(C(=O)c2cccnc2Cl)C1
|
C[C@H]NC=O)cccccc6CCC5)))))))))))CCNC=O)ccccnc6Cl))))))))C4
|
[C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][C][Ring1][=N]
|
c16cccc2c1CCC2.c17cccnc1Cl.C18CN4C1.C[C@H]58.C36=O.C47=O.N35
|
C[C@H](C(=O)NC[C@]1(C)CN(C(=O)C(C)(C)C)C[C@H]1C)c1ccsc1
|
C[C@H]C=O)NC[C@]C)CNC=O)CC)C)C)))C[C@H]5C)))))))))cccsc5
|
[C][C@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C@H1][Ring1][N][C][C][C][=C][S][C][=Ring1][Branch1]
|
[C@@]15(C)CN3C[C@H]1C.C3(=O)C(C)(C)C.C[C@@H]6C2=O.c16ccsc1.N24.C45
|
CC(=O)N(C)[C@H](C)C(=O)NC[C@@](C)(NC(=O)c1n[nH]c2c1CCSC2)C1CCC1
|
CC=O)NC)[C@H]C)C=O)NC[C@@]C)NC=O)cn[nH]cc5CCSC6)))))))))))CCCC4
|
[C][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][C][S][C][Ring1][=Branch1][C][C][C][C][Ring1][Ring2]
|
c19n[nH]c2c1CCSC2.[C@@H]6(C)C4=O.C7[C@@]8%10C.C1%10CCC1.CC3=O.N36C.C59=O.N47.N58
|
CCNC(=O)OC1CN(C(=O)[C@@H](NC(=O)c2ccsc2)[C@H]2CCCO2)C1
|
CCNC=O)OCCNC=O)[C@@H]NC=O)cccsc5)))))))[C@H]CCCO5)))))))C4
|
[C][C][N][C][=Branch1][C][=O][O][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C@@H1][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C@H1][C][C][C][O][Ring1][Branch1][C][Ring2][Ring1][Ring2]
|
C17CN5C1.C5(=O)[C@@H]9%11.c1%10ccsc1.[C@H]1%11CCCO1.C34=O.C6%10=O.CC8.N48.O37.N69
|
O=C(NCC[C@@H]1CCCN(C(=O)Cc2ccc(O)cc2)C1)C1=CCOC1
|
O=CNCC[C@@H]CCCNC=O)CccccO)cc6))))))))C6)))))))))C=CCOC5
|
[O][=C][Branch2][Ring1][=C][N][C][C][C@@H1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][S][C][=C][C][O][C][Ring1][Branch1]
|
O=C3C1=CCOC1.[C@@H]16CCCN4C1.c17ccc(O)cc1.C4(=O)C7.C5C6.N35
|
COCCC(=O)N1C[C@@H](C)C[C@H](NC(=O)c2ccc(OC)cc2C(F)F)C1
|
COCCC=O)NC[C@@H]C)C[C@H]NC=O)ccccOC))cc6CF)F))))))))))C6
|
[C][O][C][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][C][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][C][F][F][C][Ring2][Ring1][Branch1]
|
N13C[C@@H]7C[C@H](C)C1.c18ccc6cc19.C5CC3=O.C48=O.C9(F)F.CO5.N47.O6C
|
CCOC(=O)CCC(=O)N1CC2(CCC[C@H](CNC(=O)[C@@H]3CCCC3(C)C)O2)C1
|
CCOC=O)CCC=O)NCCCCC[C@H]CNC=O)[C@@H]CCCC5C)C)))))))))O6)))))C4
|
[C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][N][C][C][C][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][Ring1][Branch1][Branch1][C][C][C][O][Ring1][P][C][Ring2][Ring1][Ring2]
|
N15CC2(CCC[C@H]%10O2)C1.C4(=O)CCC5=O.[C@@H]19CCCC1(C)C.C69=O.CC7.O47.C8%10.N68
|
CCc1nc(C(=O)N2CC(F)(CNC(=O)[C@H]3CCC[C@H]3C)C2)cs1
|
CCcncC=O)NCCF)CNC=O)[C@H]CCC[C@H]5C)))))))))C4)))))cs5
|
[C][C][C][=N][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][#C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][C@H1][Ring1][Branch1][C][C][Ring1][#C][=C][S][Ring2][Ring1][=Branch1]
|
c19nc7cs1.N14CC%10(F)C1.[C@H]18CCC[C@H]1C.C47=O.C58=O.CC9.C6%10.N56
|
CC1(C)[C@H](C#N)[C@@H]1C(=O)N1C[C@H]2N(C(=O)c3ccoc3Cl)CC[C@@]2(C)C1
|
CCC)[C@H]C#N))[C@@H]3C=O)NC[C@H]NC=O)cccoc5Cl)))))))CC[C@@]5C)C8
|
[C][C][Branch1][C][C][C@H1][Branch1][Ring1][C][#N][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@H1][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][Cl][C][C][C@@][Ring1][=N][Branch1][C][C][C][Ring1][P]
|
N14C[C@H]2N5CC[C@@]2(C)C1.CC1(C)[C@H](C#N)[C@@H]16.c17ccoc1Cl.C46=O.C57=O
|
CCOC(=O)C1(CNC(=O)C[C@@]2(C)CCN(C(=O)[C@@H]3CC(C)(C)CN3C)C2)CC1
|
CCOC=O)CCNC=O)C[C@@]C)CCNC=O)[C@@H]CCC)C)CN5C)))))))C5)))))))))CC3
|
[C][C][O][C][=Branch1][C][=O][C][Branch2][Ring2][#Branch1][C][N][C][=Branch1][C][=O][C][C@@][Branch1][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][#Branch1][C][C][Ring1][S][C][C][Ring2][Ring1][Branch2]
|
[C@@H]19CC(C)(C)CN1C.[C@]1%12(C)CCN6C1.C1%10%11CC1.C5(=O)C%12.C4%10=O.C69=O.CC7.O47.C8%11.N58
|
CC[C@@H](NC(C)=O)C(=O)N[C@H](C)CCN(C)C(=O)c1cncc2n[nH]cc12
|
CC[C@@H]NCC)=O)))C=O)N[C@H]C)CCNC)C=O)ccnccn[nH]cc95
|
[C][C][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][=C][C][=N][NH1][C][=C][Ring1][=Branch2][Ring1][Branch1]
|
c19cncc2n[nH]cc12.CC[C@@H]6C4=O.[C@@H]7(C)CC8.C3(C)=O.N58C.C59=O.N36.N47
|
C[C@H](C#N)C1CCN(C(=O)C(=O)N2CCO[C@H](CN(C)CC(=O)O)C2)CC1
|
C[C@H]C#N))CCCNC=O)C=O)NCCO[C@H]CNC)CC=O)O)))))C6))))))))CC6
|
[C][C@H1][Branch1][Ring1][C][#N][C][C][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][O][C@H1][Branch1][N][C][N][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Ring1][=N][C][C][Ring2][Ring1][#Branch1]
|
C18CCN3CC1.N14CCO[C@H]7C1.C3(=O)C4=O.C[C@@H]8C#N.C6C(=O)O.N56C.C57
|
C[C@@H]1CNC(=O)C2=C(C1)N(C)C(=S)N[C@H]2c1ccc(CC(=O)O)cc1
|
C[C@@H]CNC=O)C=CC7)NC)C=S)N[C@H]6ccccCC=O)O)))cc6
|
[C][C@@H1][C][N][C][=Branch1][C][=O][C][=C][Branch1][Ring2][C][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=S][N][C@H1][Ring1][=Branch2][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2]
|
C[C@@H]1CNC(=O)C2=C(C1)N(C)C(=S)N[C@H]24.c14ccc3cc1.C3C(=O)O
|
C#CCOCC(=O)N[C@@H](C)CN(C)C(=O)c1ccsc1C(F)(F)F
|
C#CCOCC=O)N[C@@H]C)CNC)C=O)cccsc5CF)F)F
|
[C][#C][C][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F]
|
c18ccsc19.C5C2=O.[C@H]6(C)C7.C9(F)(F)F.C#CC4.N37C.C38=O.O45.N26
|
COc1ccc([C@H](C(=O)NC2CC2)N2CCO[C@H](CF)C2)cc1OCC(N)=O
|
COcccc[C@H]C=O)NCCC3)))))NCCO[C@H]CF))C6)))))))cc6OCCN)=O
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C@H1][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][N][C][C][O][C@H1][Branch1][Ring1][C][F][C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1][O][C][C][Branch1][C][N][=O]
|
c15ccc%10cc16.N17CCO[C@H]9C1.[C@@H]7%10C3=O.C4C(N)=O.C18CC1.CO5.N38.C9F.O46
|
CCCc1c(C(=O)NCC(C)(C)CNC(=O)c2ccnnc2O)cnn1C
|
CCCccC=O)NCCC)C)CNC=O)cccnnc6O))))))))))))))cnn5C
|
[C][C][C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1][O][C][=N][N][Ring2][Ring1][#Branch1][C]
|
c19c7cnn1C.c18ccnnc1O.C5C(C)(C)C6.CCC9.C37=O.C48=O.N35.N46
|
CCCC[C@H](C(=O)NC[C@H]1[C@H](O)[C@H](O)CN1C(=O)c1cnnc(O)c1)C(C)C
|
CCCC[C@H]C=O)NC[C@H][C@H]O)[C@H]O)CN5C=O)ccnncO)c6)))))))))))))))CC)C
|
[C][C][C][C][C@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][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][=N][C][Branch1][C][O][=C][Ring1][#Branch1][C][Branch1][C][C][C]
|
CCCC[C@H](C2=O)C(C)C.[C@H]16[C@H](O)[C@H](O)CN13.c15cnnc(O)c1.C35=O.N24.C46
|
CC(C)c1nn(C)cc1C(=O)N[C@@H]1COC[C@@H]1NC(=O)[C@@H](C)C(C)(F)F
|
CCC)cnnC)cc5C=O)N[C@@H]COC[C@@H]5NC=O)[C@@H]C)CC)F)F
|
[C][C][Branch1][C][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][O][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][Branch1][C][C][Branch1][C][F][F]
|
C3(=O)[C@@H](C)C(C)(F)F.c17nn(C)cc16.[C@@H]14COC[C@@H]15.CC7C.C26=O.N24.N35
|
Cc1ccc(Br)cc1C(=O)NCCNC(=O)c1ccc(F)cc1C#N
|
CccccBr)cc6C=O)NCCNC=O)ccccF)cc6C#N
|
[C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][#N]
|
c17ccc(F)cc1C#N.Cc1ccc(Br)cc16.C26=O.C4C5.C37=O.N24.N35
|
C[C@H](NC(=O)C1(C)CC(C#N)C1)c1nocc1C(=O)N1C[C@@H]2CC[C@@]2(C)C1
|
C[C@H]NC=O)CC)CCC#N))C4))))))cnocc5C=O)NC[C@@H]CC[C@@]4C)C7
|
[C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][Ring1][C][#N][C][Ring1][#Branch1][C][=N][O][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@@][Ring1][Ring2][Branch1][C][C][C][Ring1][Branch2]
|
N14C[C@@H]2CC[C@@]2(C)C1.C16(C)CC(C#N)C1.c18nocc17.C[C@H]58.C36=O.C47=O.N35
|
CNC(=O)c1ccoc1CNC(=O)c1ccc(OC)cc1
|
CNC=O)cccoc5CNC=O)ccccOC))cc6
|
[C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
c17ccc4cc1.c16ccoc18.C26=O.C37=O.CN2.C58.N35.O4C
|
CN(C)C(=O)C1CN(C(=O)CCOCCN(C)C(=O)c2cn(C)cn2)C1
|
CNC)C=O)CCNC=O)CCOCCNC)C=O)ccnC)cn5)))))))))))))C4
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][Branch1]
|
c19cn(C)cn1.C1%10CN4C1.C4(=O)CC6.CN3C.C3%10=O.C7C8.N58C.C59=O.O67
|
CC1(C)C[C@H](C(=O)N[C@@H]2C[C@H]2CNC(=O)C2CC2)N(C(=O)OC(C)(C)C)C1
|
CCC)C[C@H]C=O)N[C@@H]C[C@H]3CNC=O)CCC3)))))))))))NC=O)OCC)C)C))))C5
|
[C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][C@H1][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][#Branch2]
|
CC1(C)C[C@H]%11N7C1.[C@@H]1%10C[C@H]14.C8(C)(C)C.C5%11=O.C6%12=O.C1%12CC1.C37=O.N5%10.C94.N69.O38
|
COc1ccc([C@@H](CNC(=O)[C@@H]2C[C@@H]2C(F)(F)F)NC(=O)c2csc(Cl)n2)cc1
|
COcccc[C@@H]CNC=O)[C@@H]C[C@@H]3CF)F)F))))))))NC=O)ccscCl)n5))))))))cc6
|
[C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C@@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][Cl][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][O]
|
c15ccc%11cc1.c18csc(Cl)n1.[C@H]6%11C7.[C@@H]19C[C@@H]1%10.C%10(F)(F)F.C39=O.C48=O.CO5.N37.N46
|
Cc1ccnc(C(=O)NCCNC(=O)c2ccc(CC(C)C)nc2)c1Br
|
CcccncC=O)NCCNC=O)ccccCCC)C)))nc6))))))))))))c6Br
|
[C][C][=C][C][=N][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch2][Br]
|
Cc1ccnc7c1Br.c18ccc9nc1.C9C(C)C.C37=O.C5C6.C48=O.N35.N46
|
Cc1[nH]nc(C(=O)N2CCC(CNC(=O)c3cc[nH]c3C3CCC3)CC2)c1F
|
Cc[nH]ncC=O)NCCCCNC=O)ccc[nH]c5CCCC4))))))))))))CC6)))))))c5F
|
[C][C][NH1][N][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][=C][NH1][C][=Ring1][Branch1][C][C][C][C][Ring1][Ring2][C][C][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch2][F]
|
Cc1[nH]nc7c1F.N14CCC9CC1.c18cc[nH]c1%10.C1%10CCC1.C47=O.C58=O.C69.N56
|
CCc1cccnc1C(=O)NCCN(C)C(=O)c1nn(C)c(Br)c1C
|
CCccccnc6C=O)NCCNC)C=O)cnnC)cBr)c5C
|
[C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][Branch1][C][Br][=C][Ring1][#Branch1][C]
|
c17nn(C)c(Br)c1C.c18cccnc16.C26=O.C4C5.N35C.C37=O.CC8.N24
|
Cc1c(NC(=O)[C@H]2C[C@H]2C(=O)Nc2cc(OC(F)F)n[nH]2)ccc(Br)c1Br
|
CccNC=O)[C@H]C[C@H]3C=O)NcccOCF)F)))n[nH]5))))))))))))cccBr)c6Br
|
[C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=N][NH1][Ring1][=Branch2][C][=C][C][Branch1][C][Br][=C][Ring2][Ring1][=Branch2][Br]
|
Cc1c7ccc(Br)c1Br.c16cc5n[nH]1.[C@H]18C[C@H]19.O5C(F)F.C38=O.C49=O.N37.N46
|
Cn1ncc(C(=O)N2CCC3(CC[C@@H]3NC(=O)Cc3nc[nH]n3)CC2)c1C#N
|
CnnccC=O)NCCCCC[C@@H]4NC=O)Ccnc[nH]n5)))))))))))CC6)))))))c5C#N
|
[C][N][N][=C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][C][C][C@@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][N][=C][NH1][N][=Ring1][Branch1][C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch2][C][#N]
|
N14CCC2(CC[C@@H]26)CC1.Cn1ncc7c1C#N.c18nc[nH]n1.C5(=O)C8.C47=O.N56
|
CCN1CCO[C@H](C(=O)N2C[C@@H]3[C@H](C2)[C@H]3NC(=O)c2c[nH]c3cc(N)ccc23)C1
|
CCNCCO[C@H]C=O)NC[C@@H][C@H]C5)[C@H]3NC=O)cc[nH]cccN)ccc96)))))))))))))))))C6
|
[C][C][N][C][C][O][C@H1][Branch2][Ring2][=Branch1][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][NH1][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][Ring2][Ring1][O]
|
c19c[nH]c2cc(N)ccc12.N16CCO[C@H]8C1.N14C[C@@H]2[C@@H]7[C@@H]2C1.C48=O.C59=O.CC6.N57
|
CC(C)CC(=O)NCC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@H](CCO)C1
|
CCC)CC=O)NCC=O)NCCCC[C@@H]6C=O)NCCC[C@H]CCO)))C6
|
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][Ring2][C][C][O][C][Ring1][=Branch2]
|
N13CCCC[C@@H]16.N14CCC[C@H]7C1.CC(C)CC2=O.C5C3=O.C46=O.C7CO.N25
|
C/C=C/C[C@H](C)C(=O)N1C[C@@H]2CC[C@H](CNC(=O)CCCOC(C)C)[C@@H]2C1
|
C/C=C/C[C@H]C)C=O)NC[C@@H]CC[C@H]CNC=O)CCCOCC)C)))))))))[C@@H]5C8
|
[C][/C][=C][/C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@H1][Branch1][S][C][N][C][=Branch1][C][=O][C][C][C][O][C][Branch1][C][C][C][C@@H1][Ring1][S][C][Ring2][Ring1][Ring1]
|
N13C[C@@H]2CC[C@H]9[C@@H]2C1.C=8C[C@H](C)C3=O.C4(=O)CCC5.C6(C)C.CC=8.C79.N47.O56
|
CN1C(=O)OC[C@H]1C(=O)NC/C=C/CNC(=O)c1ccnc2ccccc12
|
CNC=O)OC[C@H]5C=O)NC/C=C/CNC=O)cccncccccc%106
|
[C][N][C][=Branch1][C][=O][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][/C][=C][/C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
c18ccnc2ccccc12.CN1C(=O)OC[C@H]17.C37=O.C5C=9.C=9C6.C48=O.N35.N46
|
CC(C(=O)NCC(C)(C)OCC(=O)Nc1cc(F)ccc1O)=C1CCCC1
|
CCC=O)NCCC)C)OCC=O)NcccF)ccc6O)))))))))))))))=CCCCC5
|
[C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][=C][C][C][C][C][Ring1][Branch1]
|
c17cc(F)ccc1O.CC=8C2=O.C6C4(C)C.C1=8CCCC1.C5C3=O.N26.O45.N37
|
C=CCC1(NC(=O)c2cncnc2C)CCN(C(=O)CCC[C@H](C)CC)CC1
|
C=CCCNC=O)ccncnc6C)))))))))CCNC=O)CCC[C@H]C)CC)))))))CC6
|
[C][=C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C@H1][Branch1][C][C][C][C][C][C][Ring2][Ring1][=Branch2]
|
C4(=O)CCC[C@H](C)CC.C157CCN4CC1.c16cncnc1C.C=CC7.C36=O.N35
|
O=C(C[C@]12CCC[C@@H]1C2)N[C@@H](Cc1ccco1)C(=O)N1CC[C@H]1C1CCC1
|
O=CC[C@]CCC[C@@H]5C6)))))))N[C@@H]Ccccco5))))))C=O)NCC[C@H]4CCCC4
|
[O][=C][Branch1][N][C][C@][C][C][C][C@@H1][Ring1][Branch1][C][Ring1][=Branch1][N][C@@H1][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Ring1][Ring2][C][C][C][C][Ring1][Ring2]
|
[C@]127CCC[C@@H]1C2.[C@H]5(C6)C4=O.c16ccco1.N14CC[C@H]18.O=C3C7.C18CCC1.N35
|
COc1ccc(Cl)c(C(=O)NC[C@H]2CCN2C(=O)[C@@]2(C)CC2(F)F)n1
|
COccccCl)cC=O)NC[C@H]CCN4C=O)[C@@]C)CC3F)F))))))))))))n6
|
[C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][Ring1][Ring2][Branch1][C][F][F][=N][Ring2][Ring1][#Branch1]
|
c15ccc(Cl)c7n1.[C@]18(C)CC1(F)F.[C@H]19CCN14.C37=O.C48=O.CO5.N36.C69
|
CC1CCN(CC(=O)N[C@@H](C)[C@@H]2CCCN(Cc3csnn3)C2)CC1
|
CCCCNCC=O)N[C@@H]C)[C@@H]CCCNCccsnn5))))))C6))))))))))CC6
|
[C][C][C][C][N][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C@@H1][C][C][C][N][Branch1][=Branch2][C][C][=C][S][N][=N][Ring1][Branch1][C][Ring1][N][C][C][Ring2][Ring1][Branch2]
|
CC1CCN5CC1.[C@@H]19CCCN7C1.c18csnn1.C5C4=O.[C@@H]69C.N46.C78
|
CC1(C)CN([C@H](C(=O)Nc2ccc3c(c2)CCC3)[C@@H]2CCSC2(C)C)[C@H]1C1CC1
|
CCC)CN[C@H]C=O)Ncccccc6)CCC5))))))))))[C@@H]CCSC5C)C)))))))[C@H]4CCC3
|
[C][C][Branch1][C][C][C][N][Branch2][Ring2][Ring2][C@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C@@H1][C][C][S][C][Ring1][Branch1][Branch1][C][C][C][C@H1][Ring2][Ring1][=Branch2][C][C][C][Ring1][Ring1]
|
c16ccc2c(c1)CCC2.CC1(C)CN5[C@H]18.[C@@H]17CCSC1(C)C.[C@H]57C4=O.C18CC1.N46
|
C#Cc1ccc(C(=O)NC[C@@H](C)NC(=O)c2cc(C)n([C@H](C)CC)n2)c(F)c1
|
C#CccccC=O)NC[C@@H]C)NC=O)cccC)n[C@H]C)CC)))n5)))))))))))cF)c6
|
[C][#C][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][#Branch1][C@H1][Branch1][C][C][C][C][N][=Ring1][#Branch2][C][Branch1][C][F][=C][Ring2][Ring1][#Branch2]
|
C#Cc1ccc8c(F)c1.c17cc(C)n9n1.C5[C@H]6C.[C@@H]9(C)CC.C38=O.C47=O.N35.N46
|
O=C(N[C@@H]1CCCN(C(=O)c2cccc(Nc3nccs3)c2)C1)c1csc(Cl)n1
|
O=CN[C@@H]CCCNC=O)cccccNcnccs5))))))c6)))))))C6)))))))ccscCl)n5
|
[O][=C][Branch2][Ring2][Ring2][N][C@@H1][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][=C][Ring1][N][C][Ring2][Ring1][Ring2][C][=C][S][C][Branch1][C][Cl][=N][Ring1][=Branch1]
|
[C@@H]18CCCN5C1.c1%10cccc7c1.c19csc(Cl)n1.c16nccs1.O=C49.C5%10=O.N48.N67
|
Cc1c(C(=O)N[C@H](C)C2CC2)[nH]c2cc(C(=O)NCCc3ncc[nH]3)ccc12
|
CccC=O)N[C@H]C)CCC3))))))[nH]cccC=O)NCCcncc[nH]5)))))))))ccc96
|
[C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][C][Ring1][Ring1][NH1][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][NH1][Ring1][Branch1][=C][C][=C][Ring2][Ring1][O][Ring1][S]
|
Cc1c8[nH]c2cc9ccc12.c1%10ncc[nH]1.C48=O.[C@H]6%11C.C1%11CC1.C59=O.C7C%10.N46.N57
|
C[C@H](CCNC(=O)c1cnc(C(C)(C)C)[nH]1)N(C)C(=O)c1cccc2ccnn12
|
C[C@H]CCNC=O)ccncCC)C)C))[nH]5)))))))))NC)C=O)cccccccnn95
|
[C][C@H1][Branch2][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][NH1][Ring1][=Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=N][N][Ring1][=Branch2][Ring1][Branch1]
|
c18cccc2ccnn12.c17cnc9[nH]1.C[C@@H]5CC6.C9(C)(C)C.C37=O.N45C.C48=O.N36
|
O=C(c1cncc(I)c1)N1C[C@H](O)C2(CCOCC2)C1
|
O=CccnccI)c6))))))NC[C@H]O)CCCOCC6)))))C5
|
[O][=C][Branch1][N][C][=C][N][=C][C][Branch1][C][I][=C][Ring1][#Branch1][N][C][C@H1][Branch1][C][O][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][Ring1][O]
|
N13C[C@H](O)C2(CCOCC2)C1.c14cncc(I)c1.O=C34
|
COC[C@H]1COCCN1C(=O)[C@@H]1N(C(=O)C(C)=NOCC#N)CC12CCCC2
|
COC[C@H]COCCN6C=O)[C@@H]NC=O)CC)=NOCC#N)))))))CC4CCCC5
|
[C][O][C][C@H1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][N][Branch1][=C][C][=Branch1][C][=O][C][Branch1][C][C][=N][O][C][C][#N][C][C][Ring1][=N][C][C][C][C][Ring1][Branch1]
|
[C@@H]17N4CC12CCCC2.[C@H]18COCCN13.C4(=O)C(C)=NO6.C37=O.C6C#N.CO5.C58
|
CCn1ccc(C(=O)N2C[C@@H]3C[C@@H](N=c4cc(C)nc(CO)[nH]4)[C@H]3C2)n1
|
CCncccC=O)NC[C@@H]C[C@@H]N=cccC)ncCO))[nH]6)))))))[C@H]4C7))))))))n5
|
[C][C][N][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@@H1][C][C@@H1][Branch1][P][N][=C][C][=C][Branch1][C][C][N][=C][Branch1][Ring1][C][O][NH1][Ring1][=Branch2][C@H1][Ring1][=C][C][Ring1][P][=N][Ring2][Ring1][Branch2]
|
N15C[C@@H]2C[C@@H](N=c3cc(C)nc8[nH]3)[C@H]2C1.n17ccc6n1.C56=O.CC7.C8O
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.