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237 SMILES Strings for Papain

Compound NameSMILES String
BDBM152724 O=C(NCC#N)OCc1ccccc1
BDBM16510 CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(O)=O |r|
BDBM20091 CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
BDBM20092 CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
BDBM20093 CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC#N |r|
BDBM20094 CC(C)(C)OC(=O)N[C@H](C(=O)NCC#N)c1ccccc1 |r|
BDBM20095 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r|
BDBM20096 O=C(N[C@@H](Cc1ccccc1)C(=O)NCC#N)OCc1ccccc1 |r|
BDBM20097 CC(C)(C)OC(=O)N[C@@H](Cc1ccco1)C(=O)NCC#N |r|
BDBM20098 CC(C)(C)OC(=O)N[C@@H](Cc1cccs1)C(=O)NCC#N |r|
BDBM20099 CC(C)(C)OC(=O)N[C@@H](Cc1ccsc1)C(=O)NCC#N |r|
BDBM20100 CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)C(=O)NCC#N |r|
BDBM20101 CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NCC#N |r|
BDBM20102 CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC#N |r|
BDBM20103 CC(C)(C)OC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCC#N |r|
BDBM20104 CC(C)(C)OC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NCC#N |r|
BDBM20105 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1F)C(=O)NCC#N |r|
BDBM20106 CC(C)(C)OC(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)NCC#N |r|
BDBM20107 CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NCC#N |r|
BDBM20108 CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NCC#N |r|
BDBM20109 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NCC#N |r|
BDBM20110 CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC#N |r|
BDBM20111 CC(C)(C)OC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)NCC#N |r|
BDBM20112 CC(C)(C)OC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCC#N |r|
BDBM20113 CC(C)(C)OC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC#N |r|
BDBM20114 CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCC#N |r|
BDBM20115 CC(C)(C)OC(=O)N[C@@H](Cc1cccc(c1)-c1ccccc1)C(=O)NCC#N |r|
BDBM20116 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCC#N |r|
BDBM20117 O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NCC#N
BDBM20118 CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r|
BDBM20119 O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
BDBM20120 O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
BDBM20121 CN(CC#N)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
BDBM20122 CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCC#N |r|
BDBM20123 CC(C)(C)OC(=O)NN(Cc1ccccc1)C(=O)NCC#N
BDBM20124 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC=O |r|
BDBM20125 CC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
BDBM20126 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#C |r|
BDBM20127 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC=C |r|
BDBM20080 CC(C)(C)OC(=O)NCC(=O)NCC#N
BDBM20082 O=C(CNC(=O)OCc1ccccc1)NCC#N
BDBM20083 C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
BDBM20084 CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
BDBM20085 CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
BDBM20086 CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
BDBM20087 CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
BDBM20088 CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
BDBM20089 CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NCC#N |r|
BDBM20090 CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCC#N |r|
BDBM19768 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC#N |r|
BDBM22726 O=C(c1ccccc1)c1ccccc1
BDBM22857 O=C1C(=O)c2ccccc2-c2ccccc12
BDBM22851 O=C1C=Cc2ccccc2C1=O |c:2|
BDBM24776 O=C1C=CC(=O)c2ccccc12 |c:2|
BDBM50452186 CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
BDBM53072 CCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O
BDBM83922 Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21
BDBM92334 CSCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C#N |r|
BDBM92336 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC#N)C#N |r|
BDBM50009219 CC(C)C1=Cc2ccc3c(CCCC3(C)C)c2C(=O)C1=O |t:3|
BDBM50018173 C[C@H](NC(C)=O)C(=O)NN=CCNC(=O)c1ccccc1 |w:10.10|
BDBM50018174 C[C@H](NC(C)=O)C(=O)NN=CC(Cc1ccccc1)NC(=O)c1ccccc1 |w:9.8|
BDBM50026012 CC(=O)NC(Cc1ccccc1)C(=O)NCC(N)=S
BDBM50026016 COC(=O)CCCNC(=O)C(Cc1ccccc1)NC(C)=O
BDBM50026019 COC(=O)\C=C\CNC(=O)C(Cc1ccccc1)NC(C)=O
BDBM50026025 CC(=O)NC(Cc1ccccc1)C(=O)NCC=C
BDBM50026029 CC(=O)NC(Cc1ccccc1)C(=O)NCC#N
BDBM50031187 CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2cc(ccc2o1)C(N)=O
BDBM50036127 CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F
BDBM50042384 CCOC(=O)C(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
BDBM50042385 CCOC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
BDBM50042386 CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
BDBM50042387 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(O)=O
BDBM50042390 CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)OCC
BDBM50042395 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccccc1
BDBM50042397 CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(O)=O
BDBM50042402 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)OCc1ccccc1
BDBM50042409 CCCCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
BDBM50042411 CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1
BDBM50042412 CCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
BDBM50042415 CCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
BDBM50042423 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(N)=O
BDBM50042424 CCCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)OCC
BDBM50042426 CCCCOC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
BDBM50042427 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccc1
BDBM50042429 CCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
BDBM50042433 CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)OCc1ccccc1
BDBM50042437 CCOC(=O)C(=O)C(Cc1ccc(Cl)cc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
BDBM50052693 CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C |r|
BDBM50052694 CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1CO
BDBM50052695 CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NO
BDBM50052696 CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(N)=O
BDBM50052697 CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(C)=O
BDBM50055218 NC(=O)c1ccc2N(Cc3ccc4ccccc4c3)C(=O)C(=O)c2c1
BDBM50066650 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
BDBM50070495 CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C=O
BDBM50070497 CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)CC=O
BDBM50070503 CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C=O
BDBM50081422 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)C1=O
BDBM50081423 OC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1=O
BDBM50081424 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1=O
BDBM50081425 OC(=O)[C@H](Cc1ccccc1)NC(=O)CC[C@H]1CCC[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)C1=O
BDBM50094931 CCOC(=O)C1OC1C(O)=O
BDBM50094932 CCOC(=O)[C@H]1CS1
BDBM50094933 COC(=O)[C@H]1CS1
BDBM50094934 CCOC(=O)C1OC1C(=O)OCC
BDBM50095489 O=S(=O)(NC1CCN(C1)C#N)c1ccccc1
BDBM50107000 COC1=CC(=O)c2c(O)c(C(C)=O)c(C)cc2C1=O |t:2|
BDBM50107004 O=C1C=CC(=O)c2c1ccc1c2ccc2ccccc12 |c:2|
BDBM50107007 COC1=CC(=O)c2c(OC(C)=O)c(C(C)=O)c(C)cc2C1=O |t:2|
BDBM50118412 CCOC(=O)NNC(=O)C(NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C(C)C
BDBM50118425 CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(C(C)C)C(=O)NNC(=O)NC(C(C)C)C(=O)OCc1ccccc1
BDBM50157741 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
BDBM50229129 CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34|
BDBM50249353 Oc1ccc(C(=O)c2ccccc2O)c(O)c1
BDBM50249351 [#6]\[#6](-[#6])=[#6]\[#6]-[#6@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccccc3)-[#6](=O)[C@](\[#6]=[#6](/[#6])-[#6])([#6]2=O)C1([#6])[#6] |r,THB:32:31:15.13.24:6.33.5|
BDBM50249352 [#6]\[#6](-[#6])=[#6]\[#6]-[#6@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccccc3)-[#6](=O)-[#6@H](-[#6]2=O)C1([#6])[#6] |r,THB:28:27:15.13.24:6.29.5|
BDBM50265073 COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@@H]1O[C@H]1CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
BDBM50265074 COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@H]1O[C@H]1CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
BDBM50265075 O=C(N[C@@H](Cc1ccccc1)C(=O)NCC1CO1)OCc1ccccc1 |r|
BDBM50284944 O=C(N[C@@H](Cc1ccccc1)[C@H]1CO1)OCc1ccccc1
BDBM50304793 CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
BDBM50304794 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)N(C)C#N |r|
BDBM50304795 CN(N(Cc1ccccc1)C#N)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
BDBM50304796 CN(N(CCc1ccccc1)C#N)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
BDBM50304797 CCCCCN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
BDBM50304798 C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C#N |r|
BDBM50304799 C[C@@H](C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
BDBM50303420 CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
BDBM50303410 Clc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
BDBM50303417 Fc1cc(F)cc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
BDBM50303441 CCNc1nc(nc2n(cnc12)-c1cc(F)cc(F)c1)C#N
BDBM50302107 COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O |r|
BDBM50355305 C[C@@H]1Oc2c(c(O)c3NC(=O)c4c(O)cc(C)c2c34)C1(C)C |r|
BDBM50355307 C[C@@H]1OC2=C(C(=O)C(=N)c3c(O)c(O)cc(C=O)c23)C1(C)C |r,t:3|
BDBM50359634 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NN(CCc1ccccc1)C(=O)C=CS(=O)(=O)c1ccccc1 |r,w:30.31|
BDBM50359635 O=C(CNC(=O)OCc1ccccc1)NN(CCc1ccccc1)C(=O)C=CS(=O)(=O)c1ccccc1 |w:26.27|
BDBM50359636 O=C(N[C@@H](Cc1ccccc1)C(=O)NN(CCc1ccccc1)C(=O)C=CS(=O)(=O)c1ccccc1)OCc1ccccc1 |r,w:25.26|
BDBM50359637 CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NNC(=O)C=CS(=O)(=O)c1ccccc1 |r,w:20.20|
BDBM50359638 CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NN(CCc1ccccc1)C(=O)C=CS(=O)(=O)c1ccccc1 |r,w:28.29|
BDBM50355306 C[C@@H]1OC2=C(C(=O)C(=O)c3cc(O)cc(C)c23)C1(C)C |r,t:3|
BDBM50364000 CCOP(=O)(CC=C(NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccccc1)OCC |r,w:6.5|
BDBM50364001 CCOP(=O)(CC=C(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)c1ccccc1)OCC |r,w:6.5|
BDBM50364002 CCOP(=O)(CC=C(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1)OCC |r,w:6.5|
BDBM50364003 CCOP(=O)(CC=C(NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1ccccc1)OCC |r,w:6.5|
BDBM50364004 CCOP(=O)(CC=C(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)c1ccccc1)OCC |r,w:6.5|
BDBM50364005 CCOP(=O)(CC=C(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)c1ccccc1)OCC |r,w:6.5|
BDBM50364006 CCOP(=O)(CC=C(NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1)OCC |r,w:6.5|
BDBM50364007 CCOP(=O)(CC=C(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1)OCC |r,w:6.5|
BDBM50364008 CCOP(=O)(CC=C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)c1ccccc1)OCC |r,w:6.5|
BDBM50364009 CCOP(=O)(CC=C(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccccc1)OCC |r,w:6.5|
BDBM50364010 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6]=[#7]-[#7]-[#6](-[#7])=O |r,w:39.41|
BDBM50366496 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6]=O
BDBM50366497 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6]=O
BDBM50366498 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]=O)-[#6]-c1ccccc1
BDBM50378032 [#6]\[#6](-[#6])=[#6]/[#6]-[#6][C@]1([#6])[#6@@H](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6][C@@]2([#6]\[#6]=[#6](/[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)[C@]1([#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,TLB:43:42:6.8.14:21.23.34|
BDBM50409599 CCOC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C |r|
BDBM50409582 CNC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C |r|
BDBM50409583 CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
BDBM50409584 CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC |r|
BDBM50409585 CCCCOC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C |r|
BDBM50409586 CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
BDBM50409587 CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
BDBM50409588 CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
BDBM50409589 CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
BDBM50409590 CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NNC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(N)=O |r|
BDBM50409591 CC(C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NCc1ccccc1 |r|
BDBM50409592 CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NNC(=O)N[C@@H](C)C(=O)NCC(N)=O |r|
BDBM50409593 CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(N)=O |r|
BDBM50409594 CC(C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)OCc1ccccc1 |r|
BDBM50409595 COC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C |r|
BDBM50409596 CCCCNC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C |r|
BDBM50409597 CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
BDBM50409598 CC[C@H](C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OC |r|
BDBM50441675 CCCCOc1c(NCCCC(C)Nc2cc(OC)cc3cccnc23)c(=O)c1=O
BDBM50441676 Clc1ccc2c(NCCNC(=O)[C@H](Cc3ccccc3)Nc3c(N[C@@H](Cc4ccccc4)C(=O)NCCNc4ccnc5cc(Cl)ccc45)c(=O)c3=O)ccnc2c1 |r|
BDBM50441677 Clc1ccc2c(NCCCCNc3c(NCCCCNc4ccnc5cc(Cl)ccc45)c(=O)c3=O)ccnc2c1
BDBM50441678 Clc1ccc2c(NCCCNc3c(NCCCNc4ccnc5cc(Cl)ccc45)c(=O)c3=O)ccnc2c1
BDBM50441679 Clc1ccc2c(NCCNc3c(NCCNc4ccnc5cc(Cl)ccc45)c(=O)c3=O)ccnc2c1
BDBM50441680 CCCCOc1c(N2CCN(CC2)c2ccnc3cc(Cl)ccc23)c(=O)c1=O
BDBM50441681 CCCCOc1c(NCCCNc2ccnc3cc(Cl)ccc23)c(=O)c1=O
BDBM50441682 CCCCOc1c(NCCNc2ccnc3cc(Cl)ccc23)c(=O)c1=O
BDBM50441683 COc1c(NCCCNc2ccnc3cc(Cl)ccc23)c(=O)c1=O
BDBM50441684 COc1c(NCCNc2ccnc3cc(Cl)ccc23)c(=O)c1=O
BDBM50436750 CS(=O)(=O)c1sc(C(=O)NC(=S)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12
BDBM50436752 Cn1nc(cc1-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)s1)C(F)(F)F
BDBM50436753 CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1
BDBM50436754 FC(F)(F)c1ccc(cc1)-c1nc(NC(=O)Nc2ccc(Cl)cc2)cs1
BDBM50437948 OC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](Cc1cscn1)C(=O)NCc1cn(nn1)-c1ccc(F)cc1 |r|
BDBM50437949 OC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](Cc1cscn1)C(=O)Nc1nc(cs1)-c1ccc(cc1)C#C |r|
BDBM50437950 OC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](Cc1cscn1)C(=O)Nc1nc(cs1)-c1ccc(F)cc1 |r|
BDBM50437951 CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)Nc1nc(cs1)-c1ccc(F)cc1 |r|
BDBM50048067 Oc1ccc(C[C@H](NC(=O)c2ccc(cc2)-c2ccc(CN=[N+]=[N-])cc2)C(=O)NCC#N)cc1 |r|
BDBM50048068 CC(C)C[C@H](NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)NCC#N |r|
BDBM50048070 [H][C@@]12CCc3nnn(Cc4ccc(cc4)C(=O)N[C@@H](Cc4ccccc4)C(=O)NCC#N)c3CC[C@]1([H])[C@@H]2COC(=O)NCCOCCOCCN |r|
BDBM50048071 NCCOCCOCCNC(=O)CCCC(=O)N1Cc2ccccc2-c2c(nnn2Cc2ccc(cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC#N)-c2ccccc12 |r|
BDBM50048072 CC(C)C[C@H](NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r|
BDBM50048073 [N-]=[N+]=NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r|
BDBM50048074 CC(C)C[C@H](NC(=O)c1ccc(CN=[N+]=[N-])cc1)C(=O)NCC#N |r|
BDBM50048077 [N-]=[N+]=NCc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r|
BDBM50048079 Oc1ccc(C[C@H](NC(=O)c2ccc(CN=[N+]=[N-])cc2)C(=O)NCC#N)cc1 |r|
BDBM50048080 [N-]=[N+]=NCc1ccc(cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)NCC#N |r|
BDBM50048081 Oc1ccc(CC[C@H](NC(=O)c2ccc(CN=[N+]=[N-])cc2)C(=O)NCC#N)cc1 |r|
BDBM50048082 CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccc(CN=[N+]=[N-])cc1)C(=O)NCC#N |r|
BDBM50048083 [N-]=[N+]=NCc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r|
BDBM50048075 CCCC[C@H](NC(=O)c1ccc(CN=[N+]=[N-])cc1)C(=O)NCC#N |r|
BDBM241952 Oc1ccc(cc1)C1Oc2cc(O)cc(O)c2C(=O)C1c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1
BDBM50213272 CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O |r|
BDBM50214514 CN(N=O)c1ccc(Cl)cc1
BDBM50214517 CN(N=O)c1ccccc1[N+]([O-])=O
BDBM50214513 CN(N=O)c1cccc(O)c1
BDBM50214515 CN(N=O)c1ccccc1O
BDBM50214516 CN(N=O)c1ccccc1
BDBM50042410 CCOC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r|
BDBM50478425 OC(=O)c1ccc[n+](CC([O-])=O)c1
BDBM50478552 [H][C@@]12C[C@H](C)CN1C(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)\N=C\[C@H](Cc1ccccc1)NC2=O)[C@@H](C)CC |r,t:44|
BDBM50478553 [H][C@@]12C[C@H](C)CN1C(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)\N=C\[C@H](CC(C)C)NC2=O)[C@@H](C)CC |r,t:44|
BDBM50513779 COc1ccc(cc1)C1Oc2cc(OC)cc(O)c2C(=O)C1c1c(OC)cc(O)c2c1oc(cc2=O)-c1ccc(OC)c(OC)c1
BDBM50513777 CC(=O)Oc1ccc(cc1)C1Oc2cc(OC(C)=O)cc(O)c2C(=O)C1c1c(OC(C)=O)cc(O)c2c1oc(cc2=O)-c1ccc(OC(C)=O)c(OC(C)=O)c1
BDBM50513778 CCCC(=O)Oc1ccc(cc1)C1Oc2cc(OC(=O)CCC)cc(O)c2C(=O)C1c1c(OC(=O)CCC)cc(O)c2c1oc(cc2=O)-c1ccc(OC(=O)CCC)c(OC(=O)CCC)c1
BDBM50532919 Ic1ccc(cc1)N1C(=O)CC(Sc2nnc[nH]2)C1=O
BDBM50532920 O=S(=O)(Cc1ccccc1)c1nc2ccccc2s1
BDBM50532921 COc1ccc(\C=C\[N+]([O-])=O)cc1OC
BDBM50532916 Cc1noc(\C=C\c2ccccn2)c1[N+]([O-])=O
BDBM50546069 OC(=O)C(F)(F)F.CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CSS(=O)(=O)c1ccccc1 |r|
BDBM50546070 OC(=O)C(F)(F)F.CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CSS(=O)(=O)c1ccc(C)cc1 |r|
BDBM50546071 OC(=O)C(F)(F)F.COc1ccc(cc1)S(=O)(=O)SC[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C)CC1 |r|
BDBM50546072 OC(=O)C(F)(F)F.CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CSS(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r|
BDBM50546073 OC(=O)C(F)(F)F.CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CSS(=O)(=O)C1CCCCC1 |r|
BDBM50546074 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)CSS(=O)(=O)c1ccccc1 |r|
BDBM50546075 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)CSS(=O)(=O)c1ccc(C)cc1 |r|
BDBM50546077 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)CSS(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r|
BDBM50546078 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)CSS(=O)(=O)C1CCCCC1 |r|
BDBM50546076 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COc1ccc(cc1)S(=O)(=O)SC[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C)CC1 |r|
BDBM50553988 CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C=O |r|
BDBM50553989 [H][C@@]1(CCNC(=N)N1)[C@H](NC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C=O |r|
BDBM50553990 [H][C@@]1(CCNC(=N)N1)[C@H](NC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C=O |r|