SMILES for Delta-type/Kappa-type/Mu-type opioid receptor

164 SMILES Strings for Delta-type/Kappa-type/Mu-type opioid receptor

Compound Name

SMILES String

[H][C@@]1(CN2CC[C@]3(C)[C@H](C)[C@]2([H])Cc2ccc(O)cc32)CCCO1 |r,THB:18:19:8:3.4.5,2:3:8:19.13.12|

[H][C@@]12Cc3ccc(O)cc3[C@](C)(CCN1C[C@@H]1CC(=C)C(=O)O1)[C@@H]2C |r,THB:8:9:23:14.12.13,15:14:23:9.3.2|

CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O

BDBM50002184

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O

BDBM50010703

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O

BDBM50010701

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O

BDBM50010706

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O

BDBM50010704

BDBM50010700

C[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1

BDBM50010705

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1

BDBM50474623

[H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2c(NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCCCNC(=O)c4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cccc12)ccc3O |TLB:70:85:61:80.78.79,81:80:61:85.65.64,62:61:85.65.64:80.78.79,THB:9:8:16:4.5.6,17:16:4.5.6:8.14.13,3:4:16:8.14.13|

BDBM50474624

[H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(NC(N)=NCCCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O |TLB:66:65:89.69.68:84.82.83,85:84:65:89.69.68,74:89:65:84.82.83,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13|

BDBM50474625

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(N\C(N)=N\CCCNC(=O)CNC(=O)CCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)[C@@]8([H])Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)[C@]7(CCN8CC4CC4)c9%10)cc12)ccc3O |r,TLB:78:77:57:82.62.61,THB:10:9:17:4.5.6|

BDBM50474626

[H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(N\C(N)=N\CCCCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O |TLB:67:66:90.70.69:85.83.84,86:85:66:90.70.69,75:90:66:85.83.84,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13|

BDBM50474627

[H][C@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(O)Cc1c2[nH]c2ccc(NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCCC\N=C(/N)Nc4ccc5[nH]c6c(C[C@]7(O)C8Cc9ccc(O)c%10O[C@@]6([H])C7(CCN8CC6CC6)c9%10)c5c4)cc12)ccc3O |TLB:66:65:86.69.68:81.79.80,82:81:65:86.69.68,74:86:65:81.79.80,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13|

BDBM50474628

[H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(NC(N)=NCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O |TLB:64:63:87.67.66:82.80.81,83:82:63:87.67.66,72:87:63:82.80.81,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13|

BDBM50474629

[H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(N\C(N)=N\CCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O |TLB:65:64:88.68.67:83.81.82,84:83:64:88.68.67,73:88:64:83.81.82,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13|

BDBM50496873

CC[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC(N)=O |r,TLB:17:16:2:5.11.4,10:11:2:14.15.16|

BDBM50496874

CC[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2C |r,TLB:17:16:2:5.11.4,10:11:2:14.15.16|

BDBM50231237

CCC(=O)C1(CCN(C)CC1)c1cccc(O)c1

BDBM50496875

CCC(=O)C1(CCN(CCC#N)CC1)c1cccc(O)c1

BDBM50496876

CC[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC#N |r,TLB:17:16:2:5.11.4,10:11:2:14.15.16|

BDBM50496877

CC1C2Cc3ccc(O)cc3C1(C)CCN2C |TLB:9:10:1:15.13.14|

BDBM50000092

CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8

BDBM50496878

CCOC(=O)C1(CCN(CCC#N)CC1)c1ccccc1

BDBM50026752

CCOC(=O)C1(CCN(C)CC1)c1ccccc1

BDBM82427

CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r|

BDBM50496879

[H][C@@]12Oc3cccc4C[C@@]5([H])NCC[C@@]1(c34)[C@@]5([H])CC[C@@H]2O

BDBM50496880

[H][C@@]12Oc3cccc4C[C@@]5([H])N(C)CC[C@@]1(c34)[C@@]5([H])CC[C@@H]2O

BDBM50496881

[H][C@@]12CCC[C@@]3([H])[C@@]4([H])Cc5cccc(O1)c5[C@@]23CCN4

BDBM50452273

[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])CC[C@@H]2O)ccc3O |TLB:10:9:14:4.5.6|

BDBM50241341

CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CCC4=O)ccc5O |r|

BDBM50367061

O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r,c:2,TLB:3:4:22.7.6:18.16.17|

BDBM50496882

[H][C@@]12Oc3cccc4C[C@@]5([H])N(C)CC[C@@]1(c34)[C@@]5([H])CCC2=O

BDBM50496883

[H][C@@]12CCC[C@@]3([H])[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C

BDBM50283522

CN1CC[C@]23[C@H]4Oc5cccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35 |c:17|

BDBM50496884

[H][C@@]12Oc3cccc4C[C@@]5([H])N(CC=C)CC[C@@]1(c34)[C@@]5([H])CC[C@@H]2O

BDBM50496885

C[C@H]1C2Cc3ccc(O)cc3C1(C)CCN2CC#N |r,TLB:16:15:1:4.10.3,9:10:1:15.14.13|

BDBM50496886

C[C@H]1C2Cc3ccc(O)cc3C1(C)CCN2CCCC#N |r,TLB:16:15:1:4.10.3,9:10:1:15.14.13|

BDBM50496887

Oc1ccc2CC3C4CCCC[C@]4(CCN3CCC#N)c2c1 |r,TLB:16:15:4.20.5:7|

BDBM50496888

[H][C@]12Oc3c4c(CC5C(C=C[C@@H]1O)[C@]24CCN5CCC#N)ccc3OC |r,c:9,THB:17:16:5.4.6:8|

BDBM50496889

[H][C@@]12Oc3c4c(CC5N(CCC#N)CC[C@@]14[C@@]5(O)CCC2=O)ccc3OC |r,THB:9:8:5.4.6:16|

BDBM50001707

CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |TLB:14:12:8.9.10:1.3.2,THB:13:12:8.9.10:1.3.2|

BDBM50019351

COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C |r,c:9|

BDBM50496890

C[C@H]1C2Cc3ccc(O)cc3C1(C)CCN2CCC#N |r,TLB:16:15:1:4.10.3,9:10:1:15.14.13|

BDBM50496891

Oc1ccc2CC3C4CCCC[C@]4(CCN3CC#N)c2c1 |r,TLB:16:15:4.19.5:7|

BDBM50496892

[H][C@]12Oc3c4c(CC5C(C=C[C@@H]1O)[C@]24CCN5CCC#N)ccc3O |r,c:9,THB:17:16:5.4.6:8|

BDBM50497032

CN(C)[C@]1(CC[C@@](O)(CCc2ccccc2)CC1)c1ccc(Br)cc1

BDBM50000788

C=CCN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O

BDBM60212

Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O

BDBM50497033

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CC[C@H]2N)ccc3O

BDBM54795

C=CCN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O

BDBM50497034

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2N)ccc3O

BDBM50497035

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CC[C@@H]2N)ccc3O

BDBM50497036

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2N)ccc3O

BDBM50497042

[H][C@]12Oc3c4c(C[C@]5([H])N(CC=C)CC[C@]14[C@]5(O)CCC2=O)ccc3O |r,THB:10:9:16:4.5.6|

BDBM50497043

[H][C@]12Cc3ccc(O)cc3[C@](CCN1C)([C@H]2C)c1ccccc1

BDBM50497044

CN1CCC2(CC1Cc1ccccc21)c1ccccc1

BDBM50497045

[H][C@@]12Cc3ccc(O)cc3[C@@](CCN1C)([C@@H]2C)c1ccccc1

BDBM50497046

[H][C@]12Cc3ccc(O)cc3[C@](CC[N+]1(C)C)([C@H]2C)c1ccccc1

BDBM50001465

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O

BDBM50019056

CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O

BDBM82507

CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1

BDBM50497120

[H][C@@]12Cc3ccc(O)cc3[C@]3(CCCC[C@@]13[H])CCN2CCc1ccc(cc1)N1C(=O)C=CC1=O |r,c:36,THB:20:19:15:9.3.2|

BDBM50497121

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5([H])C=C[C@@H]2O)C1CCCCC1)ccc3O |r,c:18,THB:19:9:13:5.6.4|

BDBM50497122

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5([H])C=C[C@@H]2O)[C@@H](C)CC)ccc3O |r,c:18,THB:19:9:13:4.5.6|

BDBM50497123

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5([H])C=C[C@@H]2O)C1CCCC1)ccc3O |r,c:18,THB:19:9:13:4.6.5|

BDBM50497124

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5([H])C=C[C@@H]2O)[C@H](C)CC)ccc3O |r,c:18,THB:19:9:13:4.5.6|

BDBM50497125

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5([H])C=C[C@@H]2O)C1CCCC=C1)ccc3O |r,c:18,27,THB:19:9:13:4.6.5|

BDBM50497126

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5([H])C=C[C@@H]2O)C1CCCCCC1)ccc3O |r,c:18,THB:19:9:13:5.6.4|

BDBM50497127

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCC)CC[C@@]14[C@@]5([H])C=C[C@@H]2O)ccc3O |r,c:21,THB:10:9:16:4.5.6|

BDBM50497128

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCc6ccccc6)CC[C@@]14[C@@]5([H])C=C[C@@H]2O)ccc3O |r,c:27,THB:10:9:21:4.5.6|

BDBM50497129

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5([H])C=C[C@@H]2O)C(C)(C)C=C)ccc3O |r,c:18,THB:19:9:13:6.4.5|

BDBM50497130

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5([H])C=C[C@@H]2O)C(C)(C)Cc1ccccc1)ccc3O |r,c:18,THB:19:9:5.4.6:13|

BDBM50497131

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5([H])C=C[C@@H]2O)[C@H](C)C=C)ccc3O |r,c:18,THB:19:9:13:4.5.6|

BDBM50497132

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5([H])C=C[C@@H]2O)C(C)CCC)ccc3O |r,c:18,THB:19:9:13:4.5.6|

BDBM50497133

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5([H])C=C[C@@H]2O)C(CC)CC)ccc3O |r,c:18,THB:19:9:13:4.5.6|

BDBM50497134

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5([H])C=C[C@@H]2O)[C@@H](C)C=C)ccc3O |r,c:18,THB:19:9:13:4.5.6|

BDBM50497135

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5([H])C=C[C@@H]2O)C(C)Cc1ccccc1)ccc3O |r,c:18,THB:19:9:13:4.5.6|

BDBM50497136

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5([H])C=C[C@@H]2O)C(C)(C)CC)ccc3O |r,c:18,THB:19:9:13:4.5.6|

BDBM50536981

CCCCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O

BDBM50536985

CCCn1c2ccccc2n(CCCCN2CCN(CC2)c2ccc(F)cc2)c1=O

BDBM50187377

CC(=O)Nc1cccc(c1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1

BDBM50071860

CC1(C)SCCSC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]1C(N)=O |r|

BDBM50013385

COC(=O)C(=C)COC1CCC2(O)C3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CC1)c45 |THB:20:31:11:26.24.25,16:15:11:26.24.25|

BDBM50000790

COC(=O)C(=C)CO[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45

BDBM50013386

Oc1ccc2CC3N(CC4CC4)CC[C@@]45C(Oc1c24)C1(CC(=C)C(=O)O1)CCC35O |TLB:29:28:18.4.5:7.13.12,THB:8:7:28:18.4.5,27:28:18.4.5:7.13.12,17:18:28:7.13.12|

BDBM50013388

CCC12CCN(CC3(O)CC3)C(Cc3ccc(O)cc13)C2(C)C |TLB:6:5:20:19.13.12|

BDBM50013387

CC(=C)C(=O)OC1CCC2(O)C3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CC1)c45 |THB:18:29:9:24.22.23,14:13:9:24.22.23|

BDBM50452754

[H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@@H]2OC(=O)C(C)=C)ccc3O |THB:9:8:16:4.5.6|

BDBM50453225

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2OCCN=S)ccc3O |r,THB:10:9:4.5.6:17|

BDBM50000797

Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@@H]1CO1

BDBM50000795

Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@H]1CC(=C)C(=O)O1

BDBM50000793

Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@H]1CO1

BDBM50000798

CC(=O)O[C@]12CC[C@@H](OC[C@H]3CC(=C)C(=O)O3)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O

BDBM50000796

CC(=O)O[C@]12CC[C@@H](OC[C@@H]3CC(=C)C(=O)O3)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O

BDBM50000789

Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)OC[C@@H]1CC(=C)C(=O)O1

BDBM50001709

O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|

BDBM50001715

COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6OCC(=C)C(=O)OC

BDBM50001716

COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](O)CC[C@@]35O

BDBM50001710

COC(=O)C(=C)COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O

BDBM50001706

COC(=O)C(C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O

BDBM50001713

CCC[C@@](C)(O)[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4OCC(=C)C(=O)OC |wU:3.2,20.22,wD:25.29,14.15,8.8,6.5,11.12,3.4,c:9,(9.11,-3.65,;7.57,-3.65,;6.8,-2.32,;5.26,-2.32,;5.23,-.78,;5.65,-3.81,;3.72,-2.32,;2.95,-.99,;1.41,-.96,;1.41,-2.5,;2.92,-2.11,;2.92,-3.65,;3.69,-5,;5.23,-5,;1.38,-3.65,;-.18,-4.02,;-1.65,-3.62,;-.88,-2.29,;-1.65,-.96,;-.9,.37,;.64,.37,;1.03,1.86,;1.97,3.07,;-.3,1.09,;-.72,-1.52,;.64,-2.29,;-3.19,-.96,;-3.96,-2.29,;-3.19,-3.62,;-3.96,-4.95,;-5.5,-4.95,;-6.27,-6.31,;-5.5,-7.64,;-7.81,-6.31,;-8.58,-7.64,;-8.58,-4.95,;-7.81,-3.62,)|

BDBM50123599

[H][C@@]1(C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O)[C@](C)(O)CCC |r,wU:15.17,20.21,25.33,1.0,wD:9.10,3.3,6.7,c:4,THB:17:16:13.12.14:3,(12.5,-39.62,;11.02,-39.23,;12.37,-38.48,;12.38,-36.94,;11.6,-38.27,;10.46,-37.1,;9.7,-38.44,;8.61,-39.53,;7.12,-39.12,;9.72,-36.9,;8.94,-35.56,;9.73,-33.87,;11.06,-34.63,;12.4,-33.87,;13.73,-34.64,;13.72,-36.18,;14.48,-34.84,;15.81,-34.06,;12.94,-34.84,;12.54,-35.75,;11.06,-36.16,;12.39,-32.32,;11.06,-31.55,;9.73,-32.32,;8.39,-31.55,;11,-40.77,;10.98,-42.3,;9.46,-40.75,;12.54,-40.79,;13.29,-42.14,;14.83,-42.16,)|

BDBM50001703

COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O

BDBM50001705

COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O

BDBM50001714

CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |THB:8:7:22.21:4.3|

BDBM82551

c1cc(c2c3c1C[C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)c7c(c8c([nH]7)[C@H]9[C@@]12CCN([C@@H]([C@@]1(C8)O)Cc1c2c(c(cc1)O)O9)CC1CC1)C5)O)O

BDBM50455774

[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@H](C1)C(C)(C)O)ccc3OCC(=C)C(=O)OC |TLB:25:23:16.1:18.19,THB:10:9:17:4.5.6|

BDBM21864

[H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|

BDBM50001712

COC(=O)C(=C)CO[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(OCC(=C)C(=O)OC)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45

BDBM50002349

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O

BDBM50002350

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O

BDBM50002347

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCC1CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O

BDBM50000296

CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)Cc3ccc(c(c3)Cl)Cl

BDBM50002346

BDBM50002345

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O

BDBM50222460

CCOC(=O)C1(CCN(CC(F)F)CC1)c1ccccc1

BDBM50222461

CCOC(=O)C1(CCN(CC(F)(F)F)CC1)c1ccccc1

BDBM50222462

C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCF

BDBM50222463

C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC(F)F

BDBM50222464

CCOC(=O)C1(CCN(CC)CC1)c1ccccc1

BDBM50037479

CCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:1:2:7:17.11.10,THB:16:17:7:2.4.3|

BDBM50222465

C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC(F)(F)F

BDBM50222466

CCOC(=O)C1(CCN(CCF)CC1)c1ccccc1

BDBM50223656

CCC(=O)OC1(CCN(C)C(C)C1)c1ccccc1

BDBM50223657

CCC(=O)O[C@]1(CCN(C)C(C)C1)c1ccccc1

BDBM50223658

CCC(=O)O[C@@]1(CCN(C)[C@@H](C)C1)c1ccccc1

BDBM50224554

CCOc1ccc2C(=O)C3C(C)C(C)(CCN3CC3CC3)c2c1 |THB:11:10:7.21.6:16.14.15|

BDBM50224555

[H][C@]1(CC[C@@]2(O)C3Cc4ccc(O)c5OC1C2(CCN3C)c45)NC(=O)\C=C\C(=O)OC |TLB:13:21:4:19.17.18,5:4:21.8.7:19.17.18,20:19:4:21.8.7|

BDBM50224556

CSCC[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CC(C)C)C(O)=O

BDBM50224557

C[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCC(O)=O

BDBM50225843

[H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)CC[C@@]2([H])NC(=O)CN(CCCl)CCCl)ccc3O |THB:3:4:16:8.14.13,17:16:4.5.6:8.14.13,9:8:16:4.5.6|

BDBM50225844

CCOc1ccc2C(=O)C3C(C)C(C)(CN3CC3CC3)c2c1 |TLB:11:10:20.7.6:15.14|

BDBM50226280

CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O

BDBM50226281

C[S+]([O-])CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O

BDBM50226282

CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NC(C)c1ccccc1

BDBM50226283

[#6]-[#16]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6])-c1ccccc1

BDBM50226284

CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:40:41:43.44.48:46,48:43:50:47.49.46,48:47:50:43.42.44,THB:42:41:43.44.48:46,42:43:41.50.49:46|

BDBM50226285

C[S+]([O-])CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:46:37:44:41.40.42,36:37:39.40.44:42,36:37:44:41.40.42,THB:46:41:37.45.38:44,38:37:39.40.44:42,38:39:37.45.46:42|

BDBM50226286

CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCc1ccccc1

BDBM50226287

[#6][S+]([#8-])[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-c1ccccc1

BDBM50226288

CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1 |TLB:9:10:14:8.7.13,13:12:15:8.7.9,13:8:15:12.14.11,THB:9:8:14:10.15.11|

BDBM50059841

C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r|

BDBM50226289

CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:49:44:51:48.50.47,49:48:51:44.43.45,THB:47:46:43:48.50.49,47:48:43:46.51.45|

BDBM50226290

CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O

BDBM50226291

C[S+]([O-])CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O

BDBM50226292

CC(NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC[S+](C)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1

BDBM50226293

C[S+]([O-])CC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCc1ccccc1

BDBM50228329

[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CCC2NC(=O)\C=C/C(O)=O)ccc3O |THB:10:9:14:4.5.6|

BDBM50228330

[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CCC2NC(=O)C(N)CC(O)=O)ccc3O |THB:10:9:14:4.5.6|

BDBM50228331

[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CCC2NC(=O)\C=C\C(O)=O)ccc3O |THB:10:9:14:4.5.6|

BDBM50228332

[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CCC2NC(=O)CCC(O)=O)ccc3O |THB:10:9:14:4.5.6|

BDBM50228334

[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CCC2NC(=O)COCC(O)=O)ccc3O |THB:10:9:14:4.5.6|

BDBM50229960

[H][C@@]12CCC(=C)CC1(CCN(CC=C)C2)c1cccc(O)c1

BDBM50229957

[H][C@@]12CC=CCC1(CCN(CC1CC1)C2)c1cccc(O)c1 |c:3|

BDBM50229964

[H][C@@]12CC=CCC1(CCN(CC1CCC1)C2)c1cccc(O)c1 |c:3|

BDBM50000087

Oc1cccc(c1)C12CCCC[C@H]1CN(CC1CC1)CC2

BDBM50229959

[H][C@@]12CCC(=C)CC1(CCN(CC1CC1)C2)c1cccc(O)c1

BDBM50229958

[H][C@@]12CCC(=C)CC1(CCN(C)C2)c1cccc(O)c1

BDBM50000091

CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|

BDBM50229956

[H][C@@]12CCC(=O)CC1(CCN(CC1CC1)C2)c1cccc(O)c1

BDBM21015

C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO

BDBM50229963

[H][C@@]12CC=CCC1(CCN(C)C2)c1cccc(O)c1 |c:3|