SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
---|---|---|---|
CCOCC(C)(C)C(=O)N1Cc2ccnn2C[C@@H](NC(=O)CC[C@@H](C)OC)C1
|
CCOCCC)C)C=O)NCcccnn5C[C@@H]NC=O)CC[C@@H]C)OC)))))))C%10
|
[C][C][O][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][N][Ring1][Branch1][C][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][O][C][C][Ring2][Ring1][Ring1]
|
N13Cc2ccnn2C[C@@H]8C1.C6C(C)(C)C3=O.C4(=O)CC[C@H]7C.CC5.O56.N48.O7C
|
CC(C)=CC(=O)N[C@@H]1C[C@@H](CNC(=O)C(C)=C2CCCC2)C1(C)C
|
CCC)=CC=O)N[C@@H]C[C@@H]CNC=O)CC)=CCCCC5)))))))))C4C)C
|
[C][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][C][C][C][Ring1][Branch1][C][Ring1][#C][Branch1][C][C][C]
|
[C@@H]16C[C@@H]9C1(C)C.C4(=O)C=8C.C1=8CCCC1.C=7C3=O.CC=7C.N36.C59.N45
|
Cc1oc(C(C)C)nc1C(=O)N[C@H]1COCC[C@H]1NC(=O)C(=O)N(C)C
|
CcocCC)C))nc5C=O)N[C@H]COCC[C@H]6NC=O)C=O)NC)C
|
[C][C][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][=Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][O][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C]
|
Cc1oc8nc17.[C@H]15COCC[C@H]16.C3(=O)C4=O.C8(C)C.C27=O.N4(C)C.N25.N36
|
CCCN(C(=O)Cc1ccns1)[C@H]1CCN(C(=O)CC=C(Cl)Cl)C1
|
CCCNC=O)Ccccns5)))))))[C@H]CCNC=O)CC=CCl)Cl)))))C5
|
[C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][C][=N][S][Ring1][Branch1][C@H1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][Cl][Cl][C][Ring1][N]
|
C3(=O)CC=C(Cl)Cl.[C@H]15CCN3C1.c16ccns1.C2(=O)C6.CCC4.N245
|
CC(=O)Nc1cccc(NC(=O)C2CCN(c3ccc4[nH]c(=N)[nH]c4n3)CC2)c1
|
CC=O)NcccccNC=O)CCCNcccc[nH]c=N)[nH]c5n9)))))))))CC6))))))))c6
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=C][C][=C][NH1][C][=Branch1][C][=N][NH1][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][C][Ring1][S][=C][Ring2][Ring1][=Branch2]
|
c17ccc2[nH]c(=N)[nH]c2n1.c18cccc9c1.C1%10CCN7CC1.CC5=O.C6%10=O.N58.N69
|
Cc1sc(O)nc1C(=O)NCC1(O)CN(C(=O)C=Cc2ccc(N(C)C)cc2)C1
|
CcscO)nc5C=O)NCCO)CNC=O)C=CccccNC)C))cc6)))))))))C4
|
[C][C][S][C][Branch1][C][O][=N][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Ring2][Ring1][C]
|
C=8c1ccc6cc1.Cc1sc(O)nc17.C19(O)CN4C1.C4(=O)C=8.C37=O.N6(C)C.N35.C59
|
CO[C@H](C(=O)NCCN(C(=O)c1n[nH]c2c1CS(=O)(=O)CC2)C(C)C)C1CCC1
|
CO[C@H]C=O)NCCNC=O)cn[nH]cc5CS=O)=O)CC6))))))))))CC)C)))))))CCCC4
|
[C][O][C@H1][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2][C][Branch1][C][C][C][C][C][C][C][Ring1][Ring2]
|
c19n[nH]c2c1CS(=O)(=O)CC2.[C@H]5%10C3=O.C1%10CCC1.C6C7.N478.C49=O.C8(C)C.CO5.N36
|
COc1cc(C(=O)N2CCCC[C@@H]2C(=O)Nc2cnc(Br)c(C)n2)ccc1O
|
COcccC=O)NCCCC[C@@H]6C=O)NccncBr)cC)n6)))))))))))))))ccc6O
|
[C][O][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][N][=C][Branch1][C][Br][C][Branch1][C][C][=N][Ring1][Branch2][=C][C][=C][Ring2][Ring1][=Branch2][O]
|
c15cc8ccc1O.c16cnc(Br)c(C)n1.N13CCCC[C@@H]17.C38=O.C47=O.CO5.N46
|
O=C(CC(=O)NC1CC1)NC[C@H](NC(=O)c1cscn1)C1CCCCC1
|
O=CCC=O)NCCC3))))))NC[C@H]NC=O)ccscn5)))))))CCCCCC6
|
[O][=C][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][N][C][C@H1][Branch1][=N][N][C][=Branch1][C][=O][C][=C][S][C][=N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1]
|
O=C2CC3=O.C19CCCCC1.c18cscn1.C5[C@H]69.C17CC1.C48=O.N37.N25.N46
|
Cc1cccc([C@@H](CNC(=O)C2(C)CC2)NC(=O)c2cncc3cnccc23)c1
|
Cccccc[C@@H]CNC=O)CC)CC3))))))NC=O)ccncccnccc%106)))))))))))))c6
|
[C][C][=C][C][=C][C][Branch2][Ring2][Branch1][C@@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][N]
|
c19cncc2cnccc12.Cc1cccc%10c1.[C@H]6%10C7.C18(C)CC1.C48=O.C59=O.N47.N56
|
COCC[C@@H](C)C(=O)NC1(CCNC(=O)[C@@H](F)c2ccc(F)cc2)CC1
|
COCC[C@@H]C)C=O)NCCCNC=O)[C@@H]F)ccccF)cc6)))))))))))CC3
|
[C][O][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][F][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][P]
|
C5C[C@@H](C)C3=O.c19ccc(F)cc1.C4(=O)[C@H]9F.C168CC1.C8C7.CO5.N36.N47
|
COC(=O)NCC(=O)NC[C@H](CNC(=O)Cn1cc(C)c(O)nc1=O)OC
|
COC=O)NCC=O)NC[C@H]CNC=O)CnccC)cO)nc6=O)))))))))))OC
|
[C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][C][C][Branch1][C][O][=N][C][Ring1][Branch2][=O][O][C]
|
n1%10cc(C)c(O)nc1=O.C8[C@@H]6C9.C7C4=O.C5(=O)C%10.C23=O.CO2.N37.N48.N59.O6C
|
C#CCCCOCC(=O)N[C@H](C(=O)N1C[C@H]2COC[C@H]2O1)c1ccoc1
|
C#CCCCOCC=O)N[C@H]C=O)NC[C@H]COC[C@H]5O8)))))))))cccoc5
|
[C][#C][C][C][C][O][C][C][=Branch1][C][=O][N][C@H1][Branch1][P][C][=Branch1][C][=O][N][C][C@H1][C][O][C][C@H1][Ring1][Branch1][O][Ring1][Branch2][C][C][=C][O][C][=Ring1][Branch1]
|
[C@H]67C(=O)N1C[C@H]2COC[C@H]2O1.C#CCCC4.c17ccoc1.C5C3=O.O45.N36
|
CCCN1CCC(NC(=O)[C@@H]2CN(C(=O)c3ncn4c3CCC4)C(C)(C)C2)CC1
|
CCCNCCCNC=O)[C@@H]CNC=O)cncnc5CCC5)))))))))CC)C)C5)))))))CC6
|
[C][C][C][N][C][C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][N][=C][N][C][=Ring1][Branch1][C][C][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][P][C][C][Ring2][Ring1][#Branch2]
|
[C@@H]1%10CN6C(C)(C)C1.c19ncn2c1CCC2.N17CCC8CC1.CCC7.C5%10=O.C69=O.N58
|
CCc1ccccc1C(=O)N[C@H](CC)CN(C)C(=O)c1cccc(F)c1OC
|
CCcccccc6C=O)N[C@H]CC))CNC)C=O)cccccF)c6OC
|
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][C]
|
c18cccc(F)c14.c19ccccc17.[C@H]5(C6)CC.C27=O.N36C.C38=O.CC9.N25.O4C
|
CNC(=O)N1CC[C@H](C(=O)N(C)[C@@H]2CCN(C(=O)c3cnc(N(C)C)s3)C2)C1
|
CNC=O)NCC[C@H]C=O)NC)[C@@H]CCNC=O)ccncNC)C))s5))))))C5)))))))C5
|
[C][N][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][S][Ring1][Branch2][C][Ring1][#C][C][Ring2][Ring1][Branch2]
|
N15CC[C@H]%11C1.[C@@H]19CCN7C1.c1%10cnc8s1.C45=O.C6%11=O.N69C.C7%10=O.N8(C)C.CN4
|
COC1(CC(=O)N(CCC(=O)N[C@@H]2CCOC2=O)C(C)C)CCC1
|
COCCC=O)NCCC=O)N[C@@H]CCOC5=O))))))))))CC)C)))))CCC4
|
[C][O][C][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][Branch1][S][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][O][C][Ring1][Branch1][=O][C][Branch1][C][C][C][C][C][C][Ring2][Ring1][=Branch1]
|
[C@@H]18CCOC1=O.C159CCC1.C6CC4=O.C9C3=O.N367.C7(C)C.CO5.N48
|
CCn1nc(C)c(C(=O)N2CSC[C@H]2C(=O)NCCC(=O)NC(C)C)n1
|
CCnncC)cC=O)NCSC[C@H]5C=O)NCCC=O)NCC)C))))))))))))))n5
|
[C][C][N][N][=C][Branch1][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][S][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][Ring2][Ring1][Branch2]
|
n1%10nc9c(C)n1.N13CSC[C@H]18.C6CC5=O.C39=O.C48=O.C7(C)C.CC%10.N46.N57
|
C[C@@H]1CC(C(=O)N(C)CC[C@H](C)NC(=O)COCCN(C)C)=NO1
|
C[C@@H]CCC=O)NC)CC[C@H]C)NC=O)COCCNC)C)))))))))))))=NO5
|
[C][C@@H1][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][C][N][Branch1][C][C][C][=N][O][Ring2][Ring1][#Branch1]
|
C[C@@H]1CC(C2=O)=NO1.C6C[C@@H]7C.C3(=O)C4.N26C.C5C8.N8(C)C.N37.O45
|
CCc1cc(C(=O)N2CCCN(C(=O)c3nccn3CC)C[C@@H]2CO)n(C)n1
|
CCcccC=O)NCCCNC=O)cnccn5CC))))))))C[C@@H]7CO))))))))))nC)n5
|
[C][C][C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=N][C][=C][N][Ring1][Branch1][C][C][C][C@@H1][Ring1][S][C][O][N][Branch1][C][C][N][=Ring2][Ring1][#Branch2]
|
N14CCCN5C[C@@H]19.c1%10cc6n(C)n1.c17nccn18.C46=O.C57=O.CC%10.C8C.C9O
|
CO[C@H]1C[C@@H](C(=O)N2CCO[C@@]3(CCCN(C(=O)C=Cc4cncn4C)C3)C2)C1
|
CO[C@H]C[C@@H]C=O)NCCO[C@@]CCCNC=O)C=Cccncn5C)))))))))C6)))))C6)))))))C4
|
[C][O][C@H1][C][C@@H1][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][O][C@@][Branch2][Ring1][Branch2][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][N][Ring1][Branch1][C][C][Ring1][S][C][Ring2][Ring1][Branch1][C][Ring2][Ring1][O]
|
N15CCO[C@@]2(CCCN6C2)C1.C=9c1cncn1C.[C@H]17C[C@@H]8C1.C6(=O)C=9.C58=O.CO7
|
C[C@H](CN(C)C)C(=O)N1CCCC[C@@H](NC(=O)C(F)=Cc2c[nH]cn2)C1
|
C[C@H]CNC)C)))C=O)NCCCC[C@@H]NC=O)CF)=Ccc[nH]cn5)))))))))C7
|
[C][C@H1][Branch1][#Branch1][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][F][=C][C][=C][NH1][C][=N][Ring1][Branch1][C][Ring2][Ring1][C]
|
N13CCCC[C@@H]6C1.C[C@H](C5)C3=O.C=7c1c[nH]cn1.C4(=O)C=7F.N5(C)C.N46
|
Cc1c(NCc2ccccc2Br)ncnc1N[C@H]1CSc2ccccc21
|
CccNCcccccc6Br)))))))))ncnc6N[C@H]CScccccc69
|
[C][C][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][=C][N][=C][Ring1][#C][N][C@H1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]
|
N5[C@H]1CSc2ccccc21.Cc1c4ncnc15.c16ccccc1Br.N34.C36
|
C=C(C)CNC(=O)[C@@H](CC(C)C)N(C)Cc1cc(C)c(C)cc1C
|
C=CC)CNC=O)[C@@H]CCC)C)))NC)CcccC)cC)cc6C
|
[C][=C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C]
|
c16cc(C)c(C)cc1C.C2(=O)[C@H]4CC(C)C.C=C(C)C3.N45C.N23.C56
|
CCn1c(C)cc2cc(NC(=O)N[C@@H](C)Cc3cc(C)[nH]n3)ccc21
|
CCncC)ccccNC=O)N[C@@H]C)CcccC)[nH]n5))))))))))ccc69
|
[C][C][N][C][Branch1][C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C][C][=C][Branch1][C][C][NH1][N][=Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch1]
|
n18c(C)cc2cc7ccc21.c19cc(C)[nH]n1.[C@H]6(C)C9.C45=O.CC8.N47.N56
|
Cn1nc(C(=O)N2CC[C@@](C)(NC(=O)C34CC(F)(C3)C4)C2)c2c1CCC[C@@H]2O
|
CnncC=O)NCC[C@@]C)NC=O)CCCF)C4)C4))))))C5))))))cc5CCC[C@@H]6O
|
[C][N][N][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C@@][Branch1][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][Branch1][C][F][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][=Branch1][C][Ring1][#C][C][=C][Ring2][Ring1][=Branch1][C][C][C][C@@H1][Ring1][=Branch1][O]
|
Cn1nc8c2c1CCC[C@@H]2O.N15CC[C@]7(C)C1.C129CC(F)(C1)C2.C58=O.C69=O.N67
|
CC[C@@H](O)C(F)(F)C(=O)N1CCN(C(=O)CN(C)C(=O)c2nnn(C)c2C)CC1
|
CC[C@@H]O)CF)F)C=O)NCCNC=O)CNC)C=O)cnnnC)c5C))))))))))CC6
|
[C][C][C@@H1][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][C][Ring2][Ring1][Ring2]
|
CC[C@@H](O)C(F)(F)C3=O.N13CCN4CC1.c17nnn(C)c1C.C4(=O)C6.N56C.C57=O
|
O=C(C1=C2CCCN=C2NN1)N1C[C@@H]2C[C@@H](C[C@H](NC(=O)C3(Cl)CC3)C2)C1
|
O=CC=CCCCN=C6NN9)))))))))NC[C@@H]C[C@@H]C[C@H]NC=O)CCl)CC3)))))C6)))C6
|
[O][=C][Branch1][=C][C][=C][C][C][C][N][=C][Ring1][=Branch1][N][N][Ring1][=Branch2][N][C][C@@H1][C][C@@H1][Branch2][Ring1][Branch1][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][Cl][C][C][Ring1][Ring2][C][Ring1][=N][C][Ring1][S]
|
O=C4C1=C2CCCN=C2NN1.N14C[C@@H]2C[C@H]6C[C@@H](C2)C1.C17(Cl)CC1.C57=O.N56
|
CCn1cccc1C(=O)N1CCN(C(=O)Cn2cccc(C)c2=O)[C@@H](C)C1
|
CCncccc5C=O)NCCNC=O)CnccccC)c6=O)))))))))[C@@H]C)C6
|
[C][C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][C][C][C][Ring1][#Branch1][=O][C@@H1][Branch1][C][C][C][Ring2][Ring1][C]
|
N13CCN4[C@@H](C)C1.n17cccc(C)c1=O.n16cccc15.C4(=O)C7.C35=O.CC6
|
CN1CCC[C@H]1CCC(=O)N1C[C@H]2OCCN(C(=O)[C@H]3[C@H]4[C@H]5C[C@@H]3C(=O)[C@H]54)[C@H]2C1
|
CNCCC[C@H]5CCC=O)NC[C@H]OCCNC=O)[C@H][C@H][C@H]C[C@@H]5C=O)[C@H]56))))))))[C@H]6C9
|
[C][N][C][C][C][C@H1][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][O][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C@H1][C@H1][C@H1][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Ring1][=Branch1][Ring1][#Branch1][C@H1][Ring1][S][C][Ring2][Ring1][Ring1]
|
N16C[C@H]2OCCN7[C@H]2C1.[C@H]18[C@H]2[C@H]3C[C@@H]1C(=O)[C@H]32.CN1CCC[C@H]19.C9CC6=O.C78=O
|
Cc1cncc(CC(=O)N2CCCCC[C@@H](NC(=O)c3nnc(Cl)cc3N)C2)c1
|
CccnccCC=O)NCCCCC[C@@H]NC=O)cnncCl)cc6N)))))))))C8))))))))))c6
|
[C][C][=C][N][=C][C][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][N]
|
N14CCCCC[C@@H]6C1.c17nnc(Cl)cc1N.Cc1cncc8c1.C8C4=O.C57=O.N56
|
Cc1ccnc(O)c1C(=O)NC[C@@H](CC1CC1)C(=O)NCc1cnco1
|
CcccncO)c6C=O)NC[C@@H]CCCC3))))C=O)NCccnco5
|
[C][C][=C][C][=N][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][N][=C][O][Ring1][Branch1]
|
Cc1ccnc(O)c16.C4[C@@H](C8)C3=O.c17cnco1.C26=O.C18CC1.N24.N35.C57
|
Cc1ncnc(C(=O)NCc2ccc(C(=O)N3CC(OCC(F)F)C3)s2)c1C
|
CcncncC=O)NCccccC=O)NCCOCCF)F))))C4)))))s5))))))))c6C
|
[C][C][=N][C][=N][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][Branch1][Branch2][O][C][C][Branch1][C][F][F][C][Ring1][=Branch2][S][Ring1][S][=C][Ring2][Ring1][#Branch2][C]
|
Cc1ncnc9c1C.c1%11ccc%10s1.N15CC7C1.C6C(F)F.C49=O.C5%10=O.N48.C8%11.O67
|
CC1(C(=O)NC[C@@]2(C)CCN(C(=O)c3ccc4snnc4c3)C2)CCC1
|
CCC=O)NC[C@@]C)CCNC=O)ccccsnnc5c9))))))))))C5))))))))CCC4
|
[C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][S][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Ring1][P][C][C][C][Ring2][Ring1][=Branch2]
|
c19ccc2snnc2c1.[C@]1%10(C)CCN6C1.CC18CCC1.C58=O.C69=O.N57.C7%10
|
CC(=O)NCC(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1c(Cl)cc(C(=O)O)cc1Cl
|
CC=O)NCC=O)N[C@@H]C[C@H]CCC[C@@H]C8)N6CccCl)ccC=O)O))cc6Cl
|
[C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][C][C@H1][C][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][#Branch1][C][C][=C][Branch1][C][Cl][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][Cl]
|
[C@@H]17C[C@H]2CCC[C@@H](C1)N26.c19c(Cl)cc8cc1Cl.C5C4=O.CC3=O.C8(=O)O.N35.N47.C69
|
CCN(C[C@@H]1CCCN(C(=O)[C@H](C)CO)C1)C(=O)Cc1ccnn1C
|
CCNC[C@@H]CCCNC=O)[C@H]C)CO))))C6)))))))C=O)Ccccnn5C
|
[C][C][N][Branch2][Ring1][=Branch1][C][C@@H1][C][C][C][N][Branch1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][O][C][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=N][N][Ring1][Branch1][C]
|
[C@@H]17CCCN2C1.C2(=O)[C@H](C)CO.c16ccnn1C.C3(=O)C6.N345.CC4.C57
|
C=CCCCCCCCCN[C@H](c1nnnn1Cc1cccs1)C1C[C@H]2C[C@@H]2C1
|
C=CCCCCCCCCN[C@H]cnnnn5Cccccs5)))))))))))CC[C@H]C[C@@H]3C6
|
[C][=C][C][C][C][C][C][C][C][C][N][C@H1][Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C@H1][C][C@@H1][Ring1][Ring1][C][Ring1][=Branch1]
|
C=CCCCCCCCC3.c16nnnn15.C18C[C@H]2C[C@@H]2C1.c17cccs1.[C@@H]468.N34.C57
|
C=Cc1ccccc1NC(=O)c1ncccc1-c1cccc(CO)c1C
|
C=Ccccccc6NC=O)cncccc6-cccccCO))c6C
|
[C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][C]
|
C=Cc1ccccc13.c16cccc5c1C.c14ncccc16.C24=O.N23.C5O
|
C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CCCN1C(=O)COCCOCCO
|
C[C@@H]CNC=O)CNCCS=O)=O)CC6))))))))CCCN7C=O)COCCOCCO
|
[C][C@@H1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2][C][C][C][N][Ring2][Ring1][C][C][=Branch1][C][=O][C][O][C][C][O][C][C][O]
|
C[C@@H]1CN3CCCN14.N19CCS(=O)(=O)CC1.C3(=O)C9.C4(=O)C5.C6C7.C8CO.O56.O78
|
C=CCCC1(CNC(=O)c2ccc(CNC(=O)CCCn3cncn3)cn2)CC1
|
C=CCCCCNC=O)ccccCNC=O)CCCncncn5)))))))))))cn6)))))))))CC3
|
[C][=C][C][C][C][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][C][C][N][C][=N][C][=N][Ring1][Branch1][C][=N][Ring2][Ring1][C][C][C][Ring2][Ring1][=Branch2]
|
c18ccc%12cn1.C5(=O)CCC9.n19cncn1.C=CCC%10.C1%10%11CC1.C48=O.C6%11.N46.C7%12.N57
|
CCCc1cc(C(=O)N[C@@H](CSCC)C(=O)N(C)C[C@@H](C)CCC)no1
|
CCCcccC=O)N[C@@H]CSCC))))C=O)NC)C[C@@H]C)CCC))))))))))no5
|
[C][C][C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][S][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][Branch1][C][C][C][C][C][=N][O][Ring2][Ring1][#Branch1]
|
c19cc8no1.[C@H]4(C6)C3=O.C5[C@@H](C)CCC.CCC9.C28=O.N35C.N24.S67.C7C
|
C=CCSCC(=O)N[C@@H](C)[C@]1(O)CCN(C(=O)Cc2cc(C)no2)C1
|
C=CCSCC=O)N[C@@H]C)[C@]O)CCNC=O)CcccC)no5)))))))C5
|
[C][=C][C][S][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C@][Branch1][C][O][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][Ring1][#C]
|
[C@@]19(O)CCN4C1.c18cc(C)no1.C7C3=O.C4(=O)C8.C=CC6.[C@@H]59C.S67.N35
|
CS(=O)(=O)c1ccnc(NC2CCN([C@H]3CCN(C(=O)[C@@H]4C=CCC4)C3)CC2)n1
|
CS=O)=O)cccncNCCCN[C@H]CCNC=O)[C@@H]C=CCC5))))))C5)))))CC6)))))))n6
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=N][C][Branch2][Ring2][C][N][C][C][C][N][Branch2][Ring1][Branch1][C@H1][C][C][N][Branch1][N][C][=Branch1][C][=O][C@@H1][C][=C][C][C][Ring1][Branch1][C][Ring1][N][C][C][Ring2][Ring1][C][=N][Ring2][Ring1][=Branch2]
|
CS(=O)(=O)c1ccnc6n1.C17CCN8CC1.[C@H]18CCN5C1.[C@@H]19C=CCC1.C59=O.N67
|
O=C([C@H]1CSCN1C(=O)[C@H](O)C1CCCCC1)N1CCCCC1
|
O=C[C@H]CSCN5C=O)[C@H]O)CCCCCC6)))))))))))))NCCCCC6
|
[O][=C][Branch2][Ring1][Branch2][C@H1][C][S][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1]
|
[C@H]14CSCN13.C15CCCCC1.N12CCCCC1.C3(=O)[C@@H]5O.O=C24
|
C=CC[C@]1(NC(=O)c2cc(=O)cc[nH]2)CCCN(C(=O)[C@H]2CCCCS2)C1
|
C=CC[C@]NC=O)ccc=O)cc[nH]6))))))))CCCNC=O)[C@H]CCCCS6)))))))C6
|
[C][=C][C][C@][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][=C][NH1][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C@H1][C][C][C][C][S][Ring1][=Branch1][C][Ring2][Ring1][Branch2]
|
[C@]158CCCN4C1.c17cc(=O)cc[nH]1.[C@H]16CCCCS1.C=CC8.C37=O.C46=O.N35
|
C[C@H](NC(=O)c1cccc(C(F)F)n1)[C@@H]1CN(C(=O)CC2(C)CCC2)CCO1
|
C[C@H]NC=O)cccccCF)F))n6))))))))[C@@H]CNC=O)CCC)CCC4))))))CCO6
|
[C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][Ring1][=Branch2][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][Ring1][Branch1][C][C][O][Ring1][=C]
|
c16cccc8n1.[C@@H]17CN4CCO1.C19(C)CCC1.C4(=O)C9.C[C@H]57.C36=O.C8(F)F.N35
|
CC1(C)CNCC[C@H]1CC(=O)NC[C@@H]1C[C@H]1C(F)F
|
CCC)CNCC[C@H]6CC=O)NC[C@@H]C[C@H]3CF)F
|
[C][C][Branch1][C][C][C][N][C][C][C@H1][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Ring1][Ring1][C][Branch1][C][F][F]
|
CC1(C)CNCC[C@H]14.C4C2=O.[C@@H]15C[C@H]16.C6(F)F.N23.C35
|
CCN=c1ncc(CN[C@H]2C[C@@H](CS(N)(=O)=O)C2)c[nH]1
|
CCN=cnccCN[C@H]C[C@@H]CSN)=O)=O)))C4))))))c[nH]6
|
[C][C][N][=C][N][=C][C][Branch2][Ring1][Ring2][C][N][C@H1][C][C@@H1][Branch1][#Branch2][C][S][Branch1][C][N][=Branch1][C][=O][=O][C][Ring1][=Branch2][=C][NH1][Ring1][P]
|
CCN=c1ncc6c[nH]1.[C@H]14C[C@@H]5C1.C5S(N)(=O)=O.C36.N34
|
COc1ccc([C@@H](CNC(=O)Cc2ccc(F)cc2C)NC(=O)[C@@H]2C[C@@H]2C)cc1
|
COcccc[C@@H]CNC=O)CccccF)cc6C)))))))))))NC=O)[C@@H]C[C@@H]3C)))))))cc6
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C@@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Ring1][Ring1][C][C][=C][Ring2][Ring1][O]
|
c1%10ccc(F)cc1C.c15ccc9cc1.[C@H]69C7.C3(=O)C%10.[C@@H]18C[C@@H]1C.C48=O.CO5.N37.N46
|
CO[C@H](C)C1CCN(C(=O)[C@H](NC(=O)C2CC(C)(C)C2)c2ccoc2)CC1
|
CO[C@H]C)CCCNC=O)[C@H]NC=O)CCCC)C)C4))))))cccoc5)))))))CC6
|
[C][O][C@H1][Branch1][C][C][C][C][C][N][Branch2][Ring1][P][C][=Branch1][C][=O][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch1][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring2][Ring1][#Branch1]
|
C18CCN3CC1.C17CC(C)(C)C1.C3(=O)[C@H]69.c19ccoc1.[C@H]58C.C47=O.CO5.N46
|
CC(=CC(=O)N[C@@H]1CCN(C(=O)/C=C/c2c[nH]nc2C)C[C@@H]1CO)C(C)(C)C
|
CC=CC=O)N[C@@H]CCNC=O)/C=C/cc[nH]nc5C)))))))))C[C@@H]6CO)))))))))))CC)C)C
|
[C][C][=Branch2][Ring1][P][=C][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][NH1][N][=C][Ring1][Branch1][C][C][C@@H1][Ring1][S][C][O][C][Branch1][C][C][Branch1][C][C][C]
|
[C@@H]15CCN4C[C@@H]18.C=7c1c[nH]nc1C.CC=6C(C)(C)C.C=6C3=O.C4(=O)C=7.N35.C8O
|
CO[C@H](C)[C@@H](CC(=O)NC[C@@H](C)N1CCCC1)NC(=O)[C@H](O)C1CCC1
|
CO[C@H]C)[C@@H]CC=O)NC[C@@H]C)NCCCC5))))))))))NC=O)[C@H]O)CCCC4
|
[C][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][N][C][C][C][C][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][C][C][C][Ring1][Ring2]
|
[C@@H]4(C)[C@H]5CC2=O.N17CCCC1.C3(=O)[C@@H]8O.C6[C@H]7C.C18CCC1.CO4.N26.N35
|
Cc1nc(O)nc(O)c1CC(=O)N1C[C@H](NC(=O)[C@@H]2COCCO2)CC12CCC2
|
CcncO)ncO)c6CC=O)NC[C@H]NC=O)[C@@H]COCCO6))))))))CC5CCC4
|
[C][C][=N][C][Branch1][C][O][=N][C][Branch1][C][O][=C][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C@@H1][C][O][C][C][O][Ring1][=Branch1][C][C][Ring1][=C][C][C][C][Ring1][Ring2]
|
Cc1nc(O)nc(O)c17.N13C[C@H]5CC12CCC2.[C@@H]16COCCO1.C7C3=O.C46=O.N45
|
CC(C)=C(C)C(=O)N1CC[C@]1(C)CC(=O)N[C@@H](C)CSC(F)F
|
CCC)=CC)C=O)NCC[C@]4C)CC=O)N[C@@H]C)CSCF)F
|
[C][C][Branch1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C@][Ring1][Ring2][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][S][C][Branch1][C][F][F]
|
N12CC[C@@]17C.C=6(C)C2=O.C7C3=O.[C@H]4(C)C5.S5C(F)F.CC=6C.N34
|
CCN1C[C@@H](C(=O)NC[C@]2(C)CCCN(C(=O)c3cscc3Cl)C2)CCC1=O
|
CCNC[C@@H]C=O)NC[C@]C)CCCNC=O)ccscc5Cl)))))))C6)))))))))CCC6=O
|
[C][C][N][C][C@@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][S][C][=C][Ring1][Branch1][Cl][C][Ring1][#C][C][C][C][Ring2][Ring1][=Branch2][=O]
|
N19C[C@@H]7CCC1=O.[C@@]1%10(C)CCCN5C1.c18cscc1Cl.C47=O.C58=O.CC9.N46.C6%10
|
O=C(NC[C@@]1(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]2CC[C@H]1C2)[C@@H]1C[C@@H]1CF
|
O=CNC[C@@]NC=O)[C@@H]C[C@@H]C=C[C@H]6CC6))))))))))C[C@H]CC[C@H]6C5)))))))))[C@@H]C[C@@H]3CF
|
[O][=C][Branch2][Ring2][C][N][C][C@@][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][=C][C@H1][Ring1][=Branch1][C][C][Ring1][=Branch1][C][C@H1][C][C][C@H1][Ring1][P][C][Ring1][Branch1][C@@H1][C][C@@H1][Ring1][Ring1][C][F]
|
[C@@]17%10C[C@H]2CC[C@H]1C2.[C@@H]19C[C@@H]2C=C[C@H]1CC2.[C@@H]18C[C@@H]1%11.O=C48.C59=O.N46.C6%10.N57.C%11F
|
C=C1C[C@H]1C(=O)N[C@H](C)CCN(C)C(=O)C1(CC)CCC1
|
C=CC[C@H]3C=O)N[C@H]C)CCNC)C=O)CCC))CCC4
|
[C][=C][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][C][C][C][Ring1][=Branch1]
|
[C@@H]4(C)CC5.C178CCC1.C=C1C[C@H]16.C26=O.N35C.C37=O.N24.C8C
|
Cc1ccc(CC(=O)N2CC3(CC(CC(=O)Nc4cc(Cl)cnc4O)C3)C2)cc1
|
CccccCC=O)NCCCCCC=O)NcccCl)cnc6O))))))))))C4)))C4))))))cc6
|
[C][C][=C][C][=C][Branch2][Ring2][#Branch2][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][O][C][C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][O][C][Ring1][S][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][N]
|
N15CC2(CC8C2)C1.c17cc(Cl)cnc1O.Cc1ccc9cc1.C9C5=O.C8C6=O.N67
|
CCC[C@H](C(=O)NC[C@@H]1C[C@H](C)N(c2ncnc3cc(F)c(F)cc23)C1)N(C)C
|
CCC[C@H]C=O)NC[C@@H]C[C@H]C)NcncncccF)cF)cc%106))))))))))C5))))))))NC)C
|
[C][C][C][C@H1][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Branch1][C][C][N][Branch2][Ring1][Branch1][C][=N][C][=N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][N][Ring1][Branch2][C][Ring2][Ring1][C][N][Branch1][C][C][C]
|
c17ncnc2cc(F)c(F)cc12.CCC[C@@H]5C4=O.[C@@H]18C[C@H](C)N7C1.N5(C)C.N46.C68
|
CCC=C1CCN(c2cc(N[C@H]3C[C@H](C)C[C@H](C)C3)nc(COC)n2)C1
|
CCC=CCCNcccN[C@H]C[C@H]C)C[C@H]C)C6)))))))ncCOC)))n6))))))C5
|
[C][C][C][=C][C][C][N][Branch2][Ring1][S][C][=C][C][Branch1][S][N][C@H1][C][C@H1][Branch1][C][C][C][C@H1][Branch1][C][C][C][Ring1][Branch2][=N][C][Branch1][Ring2][C][O][C][=N][Ring2][Ring1][C][C][Ring2][Ring1][#Branch1]
|
c15cc6nc9n1.[C@@H]17C[C@@H](C)C[C@@H](C)C1.C1=8CCN5C1.CCC=8.N67.C49.O4C
|
CCC(CC)(CC)C(=O)Nc1cccc(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)c1
|
CCCCC))CC))C=O)NcccccNC=O)[C@@H]OC[C@@H]COCC[C@@H]69)))))))))))c6
|
[C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][O][C][C@@H1][C][O][C][C][C@@H1][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][C]
|
CCC(CC)(CC)C4=O.[C@@H]18OC[C@@H]2COCC[C@@H]21.c16cccc7c1.C58=O.N46.N57
|
CC[C@H](C)[C@@H](O)CC(=O)N1CCN(C)C[C@H]1C(=O)N1CC(F)(F)C(F)(F)C1
|
CC[C@H]C)[C@@H]O)CC=O)NCCNC)C[C@H]6C=O)NCCF)F)CF)F)C5
|
[C][C][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch2]
|
CC[C@H](C)[C@@H](O)CC2=O.N13CC(F)(F)C(F)(F)C1.N12CCN(C)C[C@H]14.C34=O
|
CC(C)C(F)(F)CCNC(=O)CC(C)(C)N(C)C(=O)[C@@]1(C)CC1(C)C
|
CCC)CF)F)CCNC=O)CCC)C)NC)C=O)[C@@]C)CC3C)C
|
[C][C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][Ring1][Ring2][Branch1][C][C][C]
|
CC(C)C(F)(F)CC4.C2(=O)CC5(C)C.[C@]16(C)CC1(C)C.N35C.C36=O.N24
|
O=C1C[C@@H](C(=O)N2CC[C@@H](NC(=O)c3cncs3)[C@H](F)C2)CN1
|
O=CC[C@@H]C=O)NCC[C@@H]NC=O)ccncs5)))))))[C@H]F)C6)))))))CN5
|
[O][=C][C][C@@H1][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][=N][N][C][=Branch1][C][=O][C][=C][N][=C][S][Ring1][Branch1][C@H1][Branch1][C][F][C][Ring1][#C][C][N][Ring2][Ring1][=Branch1]
|
N14CC[C@@H]6[C@H](F)C1.O=C1C[C@@H]8CN1.c17cncs1.C48=O.C57=O.N56
|
CC[C@@H](CO)Nc1ccc(S(=O)(=O)N2CCc3c(ccnc3Cl)C2)cc1F
|
CC[C@@H]CO))NccccS=O)=O)NCCccccnc6Cl)))))C6)))))))cc6F
|
[C][C][C@@H1][Branch1][Ring1][C][O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][Branch1][Branch2][C][=C][N][=C][Ring1][=Branch1][Cl][C][Ring1][O][C][=C][Ring2][Ring1][Ring2][F]
|
c16ccc(S5(=O)=O)cc1F.N15CCc2c(ccnc2Cl)C1.CC[C@H]4CO.N46
|
CC1(C)CCc2cc(C(=O)NC[C@@H]3CCCCN3C(=O)[C@H]3CCNC3=O)ccc21
|
CCC)CCcccC=O)NC[C@@H]CCCCN6C=O)[C@H]CCNC5=O))))))))))))))))ccc69
|
[C][C][Branch1][C][C][C][C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][C][C][N][C][Ring1][Branch1][=O][=C][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][N]
|
CC1(C)CCc2cc8ccc21.[C@@H]19CCCCN15.[C@H]17CCNC1=O.C48=O.C57=O.N46.C69
|
CC(C)(C#N)CCC(=O)NC[C@H]1N(C(=O)c2cnn[nH]2)CCCC1(C)C
|
CCC)C#N))CCC=O)NC[C@H]NC=O)ccnn[nH]5))))))CCCC6C)C
|
[C][C][Branch1][C][C][Branch1][Ring1][C][#N][C][C][C][=Branch1][C][=O][N][C][C@H1][N][Branch1][N][C][=Branch1][C][=O][C][=C][N][=N][NH1][Ring1][Branch1][C][C][C][C][Ring1][=N][Branch1][C][C][C]
|
CC(C)(C#N)CCC3=O.[C@H]17N4CCCC1(C)C.c16cnn[nH]1.C46=O.N35.C57
|
CCC=CC(=O)N[C@H](C)[C@H]1CN(c2cc(S(C)(=O)=O)ncn2)CCO1
|
CCC=CC=O)N[C@H]C)[C@H]CNcccSC)=O)=O))ncn6))))))CCO6
|
[C][C][C][=C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C@H1][C][N][Branch2][Ring1][Ring1][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][=N][Ring1][#Branch2][C][C][O][Ring1][S]
|
c15cc(S(C)(=O)=O)ncn1.[C@H]17CN5CCO1.C=6C3=O.CCC=6.[C@H]47C.N34
|
CSc1ncc(C(=O)N2CCCN(C(=O)[C@@H]3CN(C)C[C@H]3C)CC2)c(O)n1
|
CScnccC=O)NCCCNC=O)[C@@H]CNC)C[C@H]5C)))))))CC7))))))))cO)n6
|
[C][S][C][=N][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C][N][Branch1][C][C][C][C@H1][Ring1][=Branch1][C][C][C][Ring1][S][C][Branch1][C][O][=N][Ring2][Ring1][=Branch2]
|
c18ncc7c(O)n1.N14CCCN5CC1.[C@@H]16CN(C)C[C@H]1C.C47=O.C56=O.CS8
|
CNC(=O)[C@H](NC(=O)C[C@H](O)CNC(=O)c1coc(N(C)C)n1)C(C)C
|
CNC=O)[C@H]NC=O)C[C@H]O)CNC=O)ccocNC)C))n5))))))))))))CC)C
|
[C][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][O][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][Branch2][C][Branch1][C][C][C]
|
C2(=O)[C@H]5C(C)C.C3(=O)C[C@H](O)C6.c18coc7n1.C48=O.N7(C)C.CN2.N35.N46
|
CNC(=O)C[C@H]1CCN(C(=O)c2coc([C@H](C)NC(=O)[C@H]3CCC4(CC4)C3)n2)C1
|
CNC=O)C[C@H]CCNC=O)ccoc[C@H]C)NC=O)[C@H]CCCCC3))C5))))))))n5))))))C5
|
[C][N][C][=Branch1][C][=O][C][C@H1][C][C][N][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C][=C][O][C][Branch2][Ring1][#Branch1][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][#Branch1][=N][Ring1][P][C][Ring2][Ring1][Branch2]
|
[C@H]1%10CCC2(CC2)C1.[C@H]1%12CCN6C1.c19coc%11n1.C5(=O)C%12.C69=O.[C@@H]8%11C.C7%10=O.CN5.N78
|
O=C(NC[C@H]1CCN1C(=O)c1cn(C2CCC2)nn1)c1cnc(=NCCF)[nH]c1
|
O=CNC[C@H]CCN4C=O)ccnCCCC4))))nn5))))))))))))ccnc=NCCF))))[nH]c6
|
[O][=C][Branch2][Ring1][N][N][C][C@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][=C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][=N][Ring1][=Branch2][C][C][=N][C][=Branch1][Branch1][=N][C][C][F][NH1][C][=Ring1][#Branch2]
|
c17cnc(=NCCF)[nH]c1.c16cn9nn1.[C@H]18CCN14.C19CCC1.O=C37.C46=O.N35.C58
|
CCc1ccc(C(=O)NC[C@@H]2CC[C@@H]2NC(=O)Cc2c(C)n[nH]c2C)cc1Br
|
CCccccC=O)NC[C@@H]CC[C@@H]4NC=O)CccC)n[nH]c5C))))))))))))))))cc6Br
|
[C][C][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][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][=Branch2][Br]
|
c19ccc7cc1Br.c1%10c(C)n[nH]c1C.[C@@H]18CC[C@@H]16.C4(=O)C%10.C37=O.CC9.N35.C58.N46
|
CCNc1cccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4[nH]ccc4COC)C[C@@H]32)c1
|
CCNcccccC=O)N[C@H][C@@H]CNC=O)c[nH]ccc5COC)))))))))C[C@@H]56))))))))c6
|
[C][C][N][C][=C][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@H1][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][NH1][C][=C][C][=Ring1][Branch1][C][O][C][C][C@@H1][Ring1][#C][Ring1][S][=C][Ring2][Ring1][=Branch2]
|
c19cccc%12c1.[C@@H]1%10[C@H]2CN6C[C@@H]12.c1%11[nH]ccc1%13.C5%12=O.C6%11=O.CC8.N89.N5%10.C7%13.O7C
|
CC#CCCC(=O)NCCN1CCCN(C(=O)C[C@@H](C)C(C)(C)CC)CC1
|
CC#CCCC=O)NCCNCCCNC=O)C[C@@H]C)CC)C)CC))))))CC7
|
[C][C][#C][C][C][C][=Branch1][C][=O][N][C][C][N][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][P]
|
C3(=O)C[C@@H](C)C(C)(C)CC.N15CCCN3CC1.CC#CCCC2=O.C4C5.N24
|
CCc1nc(CC(=O)N[C@@]2(CNC(=O)[C@@H]3CCS(=O)(=O)N3)CCOC2)cs1
|
CCcncCC=O)N[C@@]CNC=O)[C@@H]CCS=O)=O)N5))))))))CCOC5))))))))cs5
|
[C][C][C][=N][C][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C@@][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][#Branch1][C][C][O][C][Ring1][S][=C][S][Ring2][Ring1][=Branch2]
|
[C@@H]18CCS(=O)(=O)N1.c19nc%10cs1.[C@]16%11CCOC1.C%10C4=O.C58=O.CC9.N46.C7%11.N57
|
COC(=O)c1cnc(N2CC[C@H]3[C@@H](CCCN3C(=O)CCCC3CCC3)C2)cn1
|
COC=O)ccncNCC[C@H][C@@H]CCCN6C=O)CCCCCCC4))))))))))))C6))))))cn6
|
[C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][S][N][C][C][C@H1][C@@H1][Branch2][Ring1][Ring2][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Ring2][C][Ring2][Ring1][Ring1][C][=N][Ring2][Ring1][=Branch2]
|
N16CC[C@H]2[C@@H](CCCN25)C1.c17cnc6cn1.C5(=O)CCC8.C18CCC1.C47=O.CO4
|
CC(C)COC1CN(C(=O)C2=CCN(C(=O)CCCC(C)(C)C)C2)C1
|
CCC)COCCNC=O)C=CCNC=O)CCCCC)C)C))))))C5))))))C4
|
[C][C][Branch1][C][C][C][O][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][=C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=C][C][Ring2][Ring1][Ring2]
|
C4(=O)CCCC(C)(C)C.C3(=O)C1=CCN4C1.C16CN3C1.CC(C)C5.O56
|
CN(C(=O)C1(CO)COC1)C1CCC(NC(=O)c2cccc3ncccc23)CC1
|
CNC=O)CCO))COC4)))))CCCCNC=O)cccccncccc%106))))))))))))CC6
|
[C][N][Branch1][#C][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][C][O][C][Ring1][=Branch1][C][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1]
|
c19cccc2ncccc12.C16CCC7CC1.C18%10COC1.CN46.C48=O.C59=O.C%10O.N57
|
CCNC(=O)CCC(=O)N1CCCN(C(=O)CC2=NNC(=O)C2)[C@H](CO)C1
|
CCNC=O)CCC=O)NCCCNC=O)CC=NNC=O)C5)))))))[C@H]CO))C7
|
[C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=N][N][C][=Branch1][C][=O][C][Ring1][=Branch1][C@H1][Branch1][Ring1][C][O][C][Ring2][Ring1][C]
|
N14CCCN5[C@H]7C1.C5(=O)CC1=NNC(=O)C1.C3(=O)CCC4=O.CC6.N36.C7O
|
CCCC=C(CC)C(=O)N(CCC)[C@@H](C)C(=O)NC[C@H]1CCC2(CC2)C1
|
CCCC=CCC))C=O)NCCC)))[C@@H]C)C=O)NC[C@H]CCCCC3))C5
|
[C][C][C][C][=C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][#Branch1]
|
[C@H]19CCC2(CC2)C1.C=8(CC)C3=O.[C@H]6(C)C4=O.CCCC=8.N356.C5CC.N47.C79
|
CP(C)(=O)CCC(=O)N1CCN(C(=O)c2n[nH]c3c2COC3)[C@H]2COC[C@H]21
|
CPC)=O)CCC=O)NCCNC=O)cn[nH]cc5COC5)))))))))[C@H]COC[C@H]59
|
[C][P][Branch1][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][O][C][Ring1][Branch1][C@H1][C][O][C][C@H1][Ring1][Branch1][Ring2][Ring1][Ring1]
|
N14CCN5[C@H]2COC[C@H]21.CP(C)(=O)CCC4=O.c16n[nH]c2c1COC2.C56=O
|
COc1cccc(C)c1C(=O)N1C[C@@H](N=c2cc[nH]c(C#N)n2)C(C)(C)C1
|
COcccccC)c6C=O)NC[C@@H]N=ccc[nH]cC#N))n6)))))))CC)C)C5
|
[C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][=C][N][=C][C][=C][NH1][C][Branch1][Ring1][C][#N][=N][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][Ring1][S]
|
N13C[C@@H](N=c2cc[nH]c(C#N)n2)C(C)(C)C1.c14cccc(C)c15.C35=O.CO4
|
CO[C@H](C(=O)NC[C@@H]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)C1)C1CC1
|
CO[C@H]C=O)NC[C@@H]CC[C@@H]NC=O)CCCS=O)=O)CC6))))))))C5))))))))CCC3
|
[C][O][C@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2][C][Ring1][S][C][C][C][Ring1][Ring1]
|
C18CCS(=O)(=O)CC1.[C@@H]1%10CC[C@@H]7C1.[C@H]59C3=O.C48=O.C19CC1.CO5.N36.C6%10.N47
|
CC/C=C\CNc1nc(N2CCO[C@@H](C3CCC3)C2)nc2sccc12
|
CC/C=C\CNcncNCCO[C@@H]CCCC4))))C6))))))ncsccc95
|
[C][C][/C][=C][\C][N][C][=N][C][Branch1][P][N][C][C][O][C@@H1][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][Ring1][#Branch2][=N][C][S][C][=C][C][Ring2][Ring1][Ring1][=Ring1][Branch1]
|
c15nc6nc2sccc12.N16CCO[C@@H]8C1.C18CCC1.CCC=7.C=7C4.N45
|
O=C(N[C@@H](C(=O)N1CC[C@]2(C1)CC2(F)F)c1ccco1)c1ccc2nccn2c1
|
O=CN[C@@H]C=O)NCC[C@]C5)CC3F)F))))))))cccco5)))))))ccccnccn5c9
|
[O][=C][Branch2][Ring2][C][N][C@@H1][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C@][Branch1][Ring2][C][Ring1][Branch1][C][C][Ring1][Ring2][Branch1][C][F][F][C][=C][C][=C][O][Ring1][Branch1][C][C][=C][C][=N][C][=C][N][Ring1][Branch1][C][=Ring1][=Branch2]
|
N14CC[C@]2(C1)CC2(F)F.c16ccc2nccn2c1.[C@@H]57C4=O.c17ccco1.O=C36.N35
|
C=C(C)CCC(=O)N[C@](C)(CNC(=O)c1ccn(C2CC2)c1C)C(C)C
|
C=CC)CCC=O)N[C@]C)CNC=O)cccnCCC3)))c5C)))))))))CC)C
|
[C][=C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@][Branch1][C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=Ring1][Branch2][C][C][Branch1][C][C][C]
|
C=C(C)CCC3=O.[C@]5(C)(C6)C(C)C.c17ccn8c1C.C47=O.C18CC1.N35.N46
|
CCCC[C@H](CC(=O)NCC1(OCC)CN(C)C1)NC(=O)c1c(C)csc1C
|
CCCC[C@H]CC=O)NCCOCC)))CNC)C4))))))))NC=O)ccC)csc5C
|
[C][C][C][C][C@H1][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][Branch1][Ring2][O][C][C][C][N][Branch1][C][C][C][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][S][C][=Ring1][=Branch1][C]
|
CCCC[C@@H]6CC2=O.c18c(C)csc1C.C149CN(C)C1.C38=O.N27.C79.O45.C5C.N36
|
CN(CC(=O)NC[C@@](C)(O)C1(C)CC1)C(=O)C=Cc1ccco1
|
CNCC=O)NC[C@@]C)O)CC)CC3))))))))C=O)C=Ccccco5
|
[C][N][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][Branch1][C][O][C][Branch1][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][O][Ring1][Branch1]
|
C=6c1ccco1.C5[C@@]7(C)O.C4C2=O.C17(C)CC1.C3(=O)C=6.CN34.N25
|
O=C(Cc1csc(Cl)c1)NCC[C@@]1(O)CCN(C(=O)CCCN2CCCCC2)C1
|
O=CCccscCl)c5))))))NCC[C@@]O)CCNC=O)CCCNCCCCC6))))))))))C5
|
[O][=C][Branch1][N][C][C][=C][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][N][C][C][C@@][Branch1][C][O][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][P]
|
[C@]17(O)CCN4C1.c18csc(Cl)c1.C4(=O)CCC6.N16CCCCC1.O=C3C8.C5C7.N35
|
CC(C)C(=O)N1CCc2ccccc2[C@H]1CNC(=O)[C@H]1Cc2cccc(F)c2O1
|
CCC)C=O)NCCcccccc6[C@H]%10CNC=O)[C@H]CcccccF)c6O9
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C@H1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][Ring1][#Branch2]
|
N13CCc2ccccc2[C@H]1C5.[C@H]16Cc2cccc(F)c2O1.CC(C)C3=O.C46=O.N45
|
COCCC[C@H](C)C(=O)N(C)CCCN(C)C(=O)[C@H]1CCC(=O)O1
|
COCCC[C@H]C)C=O)NC)CCCNC)C=O)[C@H]CCC=O)O5
|
[C][O][C][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1]
|
C4CC[C@H](C)C2=O.[C@H]17CCC(=O)O1.C5CC6.N25C.N36C.C37=O.CO4
|
CC(C)C[C@@H](CNC(=O)c1nn(C)cc1N)NC(=O)[C@H](CO)NC(N)=O
|
CCC)C[C@@H]CNC=O)cnnC)cc5N)))))))))NC=O)[C@H]CO))NCN)=O
|
[C][C][Branch1][C][C][C][C@@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][Branch1][C][N][=O]
|
CC(C)C[C@H]5C6.c18nn(C)cc1N.C3(=O)[C@@H]7CO.C28=O.C4(N)=O.N26.N35.N47
|
CCC1(NC(=O)Cc2ncc(-c3ccc([N+](=O)[O-])cc3)cn2)CCOCC1
|
CCCNC=O)Ccncc-cccc[N+]=O)[O-]))cc6))))))cn6)))))))))CCOCC6
|
[C][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][C][=N][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=N][Ring1][#C][C][C][O][C][C][Ring2][Ring1][=Branch2]
|
c18ccc([N+](=O)[O-])cc1.C157CCOCC1.c16ncc8cn1.C4(=O)C6.CC7.N45
|
CC(C)OCC(=O)N[C@H]1C[C@@H]1C1CCN(C(=O)[C@@H](F)C[C@H]2CCOC2)CC1
|
CCC)OCC=O)N[C@H]C[C@@H]3CCCNC=O)[C@@H]F)C[C@H]CCOC5))))))))CC6
|
[C][C][Branch1][C][C][O][C][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Ring1][Ring1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C@@H1][Branch1][C][F][C][C@H1][C][C][O][C][Ring1][Branch1][C][C][Ring1][S]
|
[C@H]17C[C@@H]1C1CCN4CC1.C4(=O)[C@@H](F)C8.[C@H]18CCOC1.C6C3=O.CC5C.O56.N37
|
COc1cc(C(=O)N(C)[C@H]2CN(C(=O)c3ccc(O)nc3C)CC[C@@H]2O)nn1C
|
COcccC=O)NC)[C@H]CNC=O)ccccO)nc6C))))))))CC[C@@H]6O)))))))))nn5C
|
[C][O][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][N][=C][Ring1][#Branch1][C][C][C][C@@H1][Ring1][S][O][=N][N][Ring2][Ring1][#Branch2][C]
|
[C@H]17CN5CC[C@@H]1O.c19ccc(O)nc1C.c16cc8nn1C.C48=O.N47C.C59=O.CO6
|
C[S@@+]([O-])CC[C@H](O)C(=O)N[C@H]1C[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])c2)C1
|
C[S@@+][O-])CC[C@H]O)C=O)N[C@H]C[C@@H]CNC=O)Cncnc[N+]=O)[O-]))c5)))))))))C4
|
[C][S@@+1][Branch1][C][O-1][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][Branch2][C][Ring1][P]
|
C[S@@+]([O-])CC[C@H](O)C3=O.n17cnc([N+](=O)[O-])c1.[C@H]16C[C@@H]8C1.C4(=O)C7.N36.C58.N45
|
COC(=O)[C@@H]1CN(Cn2cc(S(=O)(=O)N(C)C)cn2)C[C@H]1[C@H]1COC(C)(C)O1
|
COC=O)[C@@H]CNCnccS=O)=O)NC)C)))cn5))))))C[C@H]5[C@H]COCC)C)O5
|
[C][O][C][=Branch1][C][=O][C@@H1][C][N][Branch2][Ring1][#Branch1][C][N][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][Ring1][O][C][C@H1][Ring1][P][C@H1][C][O][C][Branch1][C][C][Branch1][C][C][O][Ring1][#Branch1]
|
n16cc(S4(=O)=O)cn1.[C@@H]15CN(C6)C[C@H]17.[C@H]17COC(C)(C)O1.C35=O.N4(C)C.CO3
|
CCNC(=O)c1ccc(-c2ccnc(NCc3c(C)cc(OC)cc3C)c2)cc1
|
CCNC=O)cccc-cccncNCccC)ccOC))cc6C)))))))))c6))))))cc6
|
[C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][Branch1][C][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]
|
c1%10c(C)cc5cc1C.c19ccc%11cc1.c1%11ccnc8c1.C49=O.CC6.N46.N78.C7%10.O5C
|
CC(C)=CC(=O)NC[C@@H](O)CN(C)C(=O)COC[C@@H]1CCCCO1
|
CCC)=CC=O)NC[C@@H]O)CNC)C=O)COC[C@@H]CCCCO6
|
[C][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][C@@H1][C][C][C][C][O][Ring1][=Branch1]
|
[C@@H]19CCCCO1.C6[C@@H](O)C7.C=8C2=O.C3(=O)C4.CC=8C.N37C.N26.O45.C59
|
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