SMILES for Sterol O-acyltransferase 2

224 SMILES Strings for Sterol O-acyltransferase 2

Compound Name

SMILES String

CC(=O)OCC1(C)C(CCC2(C)C1CC(OC(C)=O)C1(C)Oc3cc(oc(=O)c3C(O)C21)-c1cccnc1)OC(C)=O

CC(=O)OCC(C)(OC(C)=O)[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)Oc3cc(oc(=O)c3[C@@H](O)[C@@H]2C1)-c1cccnc1 |r,w:5.4|

CC(=O)OCC(C)(OC(C)=O)[C@@H]1C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc3cc(oc(=O)c3[C@@H](OC(C)=O)[C@@H]2C1)-c1cccnc1 |r,w:5.4|

BDBM383178

CC(O)(COC(=O)c1ccc(cc1)C#N)[C@@H]1C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc3cc(oc(=O)c3C(=O)[C@@H]2C1)-c1cccnc1 |r,w:1.2|

BDBM383179

CC(O)(COC(=O)c1ccc(cc1)C#N)[C@@H]1C[C@H](O)[C@@]2(C)Oc3cc(oc(=O)c3C(=O)[C@@H]2C1)-c1cccnc1 |r,w:1.2|

BDBM383182

CC(=O)OCC(C)(OC(C)=O)[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@@H]2C1)-c1cccnc1 |r,w:5.4|

BDBM383183

CC(=O)OC[C@](C)(OC(C)=O)[C@H]1C[C@@H](OC(C)=O)[C@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]2C1)-c1cccnc1 |r|

BDBM383184

CC(=O)OC[C@](C)(OC(C)=O)[C@H]1C[C@@H](OC(C)=O)[C@]2(C)Oc3cc(oc(=O)c3[C@@H](O)[C@@H]2C1)-c1cccnc1 |r|

BDBM383185

CC(=O)OC[C@](C)(OC(C)=O)[C@H]1C[C@@H](OC(C)=O)[C@]2(C)Oc3cc(oc(=O)c3[C@@H](O)[C@H]2C1)-c1cccnc1 |r|

BDBM383186

CC(=O)OC[C@](C)(O)[C@H]1C[C@@H](O)[C@]2(C)Oc3cc(oc(=O)c3[C@@H](O)[C@H]2C1)-c1cccnc1 |r|

BDBM383187

CC(=O)OC[C@](C)(O)[C@H]1C[C@@H](O)[C@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]2C1)-c1cccnc1 |r|

BDBM182847

CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3[nH]2)CC1

BDBM50360304

CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)O1 |r|

BDBM50360305

CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r|

BDBM182848

CCCCCCCCCCCCS[C@H](C(=O)Nc1cc(C)c(O)c(C)c1C)c1ccccc1 |r|

BDBM182849

CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccccc1

BDBM182850

CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(O)cc1

BDBM182851

CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(OC(=O)CCCCCCN2CCCCCC2=O)cc1

BDBM182852

CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C(Cc1ccccc1)Cc1ccc(OC(=O)CN2CCCCCC2=O)cc1

BDBM50371698

CCCCCCCC(=O)Nc1ccccc1-c1ccccc1

BDBM50371699

CCCCCCCCC(=O)Nc1ccccc1-c1ccccc1

BDBM182853

CCCCCCCC(=O)CNc1cc(nn1-c1ccccc1)-c1ccccc1

BDBM182854

CCCCCCCCC(=O)CNc1cc(nn1-c1ccccc1)-c1ccccc1

BDBM182855

CCCCCCCCCCNc1cc(nn1-c1ccccc1)-c1ccccc1

BDBM772408

CCCCCCCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1

BDBM772409

CCCCCCCCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1

BDBM772410

CCCCCCCCCNc1cc(-c2ccccc2)nn1-c1ccccc1

BDBM50264575

Fc1ccc(NC(=O)NCCCCCCSc2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c(F)c1

BDBM50287310

OC(=O)C[C@]1(CC(F)(F)F)CCc2cc(ccc2C1=O)-c1cnc(NC(=O)Nc2ccc(F)c(F)c2)cn1 |r|

BDBM50450891

CCCC(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)Cc1nccs1 |r|

BDBM50450892

CCCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)Cc1nccs1 |r|

BDBM50281511

COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)[C@H](CC(C)C)OC(C)=O

BDBM50450893

CCCC(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)Cc1nccs1 |r|

BDBM50461446

CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C |r|

BDBM50461447

CCC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)\C=C\[C@H](C)C(Cl)(Cl)Cl |r|

BDBM50461448

C[C@@H](C[C@@H]1N(C)C(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C1=O)C(Cl)(Cl)Cl |r|

BDBM50033969

CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F

BDBM50196069

[H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)ccc1O |r|

BDBM50242257

C[C@H]1CC[C@@]2(C)[C@@H](CCC=C2C)[C@]1(C)Cc1cc(O)ccc1O |r,c:9|

BDBM50241945

CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C[C@]2(O)OC1=O |r,c:1|

BDBM50544939

[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-[#6](-[#6]-[#6]-[#8]-[#6](-[#6])=O)\[#6]=[#6]\[#6]=[#6]\C#CC#C\[#6]=[#6]\[#6]-[#8]

BDBM50147176

COc1ccc(cc1OC)C(O)C(C)Oc1ccc(cc1OC)[C@H]1O[C@@H]([C@H](C)[C@H]1C)c1ccc(OC(C)C(O)c2ccc(OC)c(OC)c2)c(OC)c1

BDBM50147179

COc1ccc(cc1OC)[C@@H]1O[C@@H]([C@H](C)[C@@H]1C)c1ccc(O[C@H](C)Cc2ccc3OCOc3c2)cc1

BDBM50147178

CCCCCCCC\C=C/CCCCCCCC(=O)Nc1ccccc1

BDBM50151701

Oc1ccc(CCC(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1O

BDBM50150482

CC(=O)OCC1(C)C(CCC2(C)C1C=C(OC(C)=O)C1(C)OC3=C(C(=O)OC(C3)c3cccnc3)C(=O)C21)OC(C)=O |t:14,23|

BDBM50177892

CCCCCCCN(CCCCCNc1cc(-c2ccccc2)c(nn1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F

BDBM50177891

CCCCCCCN(CCCCCNc1ccc(nn1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F

BDBM50177893

CCCCCCCN(CCCCCNc1cc(cnn1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F

BDBM50193718

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2cc3-[#8]C([#6])([#6])[#6]=[#6]-c3c(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |c:15|

BDBM50175019

[#6]-[#8]-c1cc(-[#8])c2c(oc3cc(-[#8])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c2=O)c1C([#6])([#6])[#6]=[#6]

BDBM50175018

[#6]-[#6]1-[#8]-c2cc3oc4c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#8])cc4c(=O)c3c(-[#8])c2C1([#6])[#6]

BDBM50193719

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1cc2-[#6]=[#6]C([#6])([#6])[#8]-c2cc1-[#8] |c:23|

BDBM50175012

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(c(-[#8])c2c1oc1cc(-[#8])c(-[#8])cc1c2=O)C([#6])([#6])[#6]=[#6]

BDBM50175013

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#8])cc2c1oc1cc(-[#8])c(c(-[#8])c1c2=O)C([#6])([#6])[#6]=[#6]

BDBM50193720

CC(C)(O)CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1cc2C=CC(C)(C)Oc2cc1O |c:24|

BDBM50175014

COc1cc(O)c2c(oc3c(O)c(O)ccc3c2=O)c1C(C)(C)C=C

BDBM50175015

CC(C)(C=C)c1c(O)cc(O)c2c1oc1c3C=CC(C)(C)Oc3c(O)cc1c2=O |c:17|

BDBM50193723

[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6@@H]-2-[#6]-[#6](=O)-c3c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc3-[#8]-2)c(-[#8])cc1-[#8]

BDBM50193721

CC1(C)Oc2cc3oc(cc(=O)c3c(O)c2C=C1)-c1ccc(O)cc1O |c:18|

BDBM50193722

[#6]\[#6](-[#6])=[#6]/C([#6])([#6])c1c(-[#6])cc(-[#8])c2c1oc1cc(-[#8])c(-[#8])cc1c2=O

BDBM50175017

[#6]-[#8]-c1c(-[#8])cc2oc3c(c(-[#8])cc(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[#6]=[#6]

BDBM50611388

CSc1cc(C)nc(SC)c1NC(=O)CCN1CCN(CCSc2nc3ccccc3[nH]2)CC1

BDBM50041735

CC(C)c1cccc(c1NC(=O)NCC2(CCCC2)c3ccc(cc3)N(C)C)C(C)C

BDBM50611389

[#6]\[#6](-[#6])=[#6]\[#6]-c1ccc(-[#8])c(c1-[#8])[C@@]1([#8])c2c(cc(-[#6])cc2-[#8])-[#6](=O)C1([#6])[#6] |r|

BDBM50611390

[#6]\[#6](-[#6])=[#6]/[#6]-c1ccc(-[#8])c(c1-[#8])[C@]1([#8])c2c(cc(-[#6])cc2-[#8])-[#6](=O)C1([#6])[#6] |r|

BDBM50611391

[#6]\[#6](-[#6])=[#6]\[#6]-c1ccc(-[#8])c(-[#6](=O)-c2c(-[#8])cc(-[#6])cc2-[#6]-2=[#6](-c3c(cc(-[#6])cc3-[#8])-[#6]-2=O)-c2c(-[#8])ccc(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8])c1-[#8] |t:22|

BDBM50611392

[#6]-[#6](-[#6])-[#6](=O)-c1cc(-[#6])cc(-[#8])c1-[#6](=O)-c1c(-[#8])ccc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]

BDBM50611393

C\C=C\C=C\CCCCCCC(=O)CNC(C)=O

BDBM50611394

[H][C@]12[#8][C@@]11[C@]([H])([#6]-[#6][C@]3([#6])[C@]4([#6])[C@]([H])([#6][C@@]5([#8])c6c(-[#7][C@@]45[#8])cccc6-[#6]-[#6]4-[#8]C4([#6])[#6])[#6]-[#6][C@@]13[#8])[#8][C@@]1([H])[C@@]2([H])[#8]-[#6@@H](-[#8]C1([#6])[#6])\[#6]=[#6](\[#6])-[#6] |r|

BDBM50611395

[H][C@]12[#8][C@@]11[C@]([H])([#6]-[#6][C@]3([#6])[C@]4([#6])[C@]([H])([#6][C@@]5([#8])c6c(-[#7][C@@]45[#8]-[#6])cccc6-[#6]-[#6]4-[#8]C4([#6])[#6])[#6]-[#6][C@@]13[#8])[#8][C@@]1([H])[C@@]2([H])[#8]-[#6@@H](-[#8]C1([#6])[#6])\[#6]=[#6](/[#6])-[#6] |r|

BDBM50611396

[H][C@]12[#8][C@@]11[C@@]([H])([#8][C@@]3([H])[C@@]2([H])[#8]-[#6@@H](-[#8]C3([#6])[#6])\[#6]=[#6](/[#6])-[#6])[#6@H](-[#8])-[#6][C@]2([#6])[C@]3([#6])[C@]([H])([#6][C@@]4([#8])c5c(-[#7][C@@]34[#8])cccc5-[#6]-[#6]3-[#8]C3([#6])[#6])[#6]-[#6][C@@]12[#8] |r|

BDBM50611397

COc1cc(\C=C2\CN(C(Cc3ccccc3)CN2C(=O)c2ccccc2)C(C)=O)cc2OCOc12

BDBM50611399

[H][C@]1(C[C@H](OC(C)=O)[C@@]2(C)Oc3cc(oc(=O)c3[C@@H](O)[C@]2([H])C1)-c1cccnc1)[C@@](C)(COC(C)=O)OC(C)=O |r|

BDBM50611400

[H][C@]1(C[C@H](OC(C)=O)[C@@]2(C)Oc3cc(oc(=O)c3[C@@H](O)[C@]2([H])C1)-c1cccnc1)[C@](C)(COC(C)=O)OC(C)=O |r|

BDBM50611401

[H][C@]1(C[C@H](OC(C)=O)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@]2([H])C1)-c1cccnc1)[C@@](C)(COC(C)=O)OC(C)=O |r|

BDBM50611402

[H][C@]1(C[C@H](OC(C)=O)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@]2([H])C1)-c1cccnc1)[C@](C)(COC(C)=O)OC(C)=O |r|

BDBM50611398

[H][C@@]1(C[C@@H](OC(C)=O)[C@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@@]2([H])C1)-c1cccnc1)[C@@](C)(COC(C)=O)OC(C)=O |r|

BDBM50611403

[H][C@@]1(C[C@@H](OC(C)=O)[C@]2(C)Oc3cc(oc(=O)c3[C@@H](O)[C@@]2([H])C1)-c1cccnc1)[C@@](C)(COC(C)=O)OC(C)=O |r|

BDBM50611404

CCCC[C@H](C)[C@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r|

BDBM50611405

CCCC[C@@H](C)[C@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r|

BDBM50611406

CCCC[C@@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r|

BDBM50611407

[H][C@]1(CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@]([H])([C@H](C)CC)C(=O)O1)[C@@H](C)CCCC |r|

BDBM50611408

CCCC[C@H](C)[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r|

BDBM50611409

[H][C@]1(CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@]([H])([C@H](C)CC)C(=O)O1)[C@@H](C)CCCC |r|

BDBM50611410

CCCCCCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 |r|

BDBM50611411

CC(=O)OC[C@@]1([C@H](CC[C@]2([C@H]1C[C@@H]([C@@]3([C@@H]2[C@H](C4=C(O3)C=C(OC4=O)c5cccnc5)O)C)OC(=O)C)C)OC(=O)C)C

BDBM50436355

CCCCC(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1 |r|

BDBM50436354

CCCCC(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1C |r|

BDBM50436328

Cc1ccccc1[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1 |r|

BDBM50436346

Cc1cccc(C)c1[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1 |r|

BDBM50429595

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)[N+]([O-])=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429604

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50611412

[H][C@]12[C@@H](O)c3c(O[C@]1(C)[C@H](C[C@@H](C(C)C)C2(C)C)OC(C)=O)cc(oc3=O)-c1cccnc1 |r|

BDBM50611413

[H][C@]12[C@@H](O)c3c(O[C@]1(C)[C@H](C[C@@H](C(C)C)C2(C)C)OC(=O)c1ccc(cc1)C#N)cc(oc3=O)-c1cccnc1 |r|

BDBM50611414

[H][C@]1(CO[C@@H](OC1)c1ccccc1C)[C@]1([H])C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@]2([H])C1(C)C)-c1cccnc1 |r,wU:17.19,29.32,39.43,4.7,wD:41.46,14.16,1.0,(-3.33,-1.15,;-3.33,-2.69,;-4.67,-1.92,;-6,-2.69,;-6,-4.23,;-4.67,-5,;-3.33,-4.23,;-7.33,-5,;-8.67,-4.23,;-10,-5.01,;-10,-6.54,;-8.66,-7.31,;-7.33,-6.54,;-6,-7.31,;-2,-1.92,;-2,-3.46,;-.66,-2.69,;.67,-1.92,;2,-2.69,;3.34,-1.92,;3.34,-.38,;4.67,-2.69,;6,-1.92,;7.33,-2.69,;7.33,-4.23,;6.01,-5,;4.67,-4.24,;8.67,-5,;10,-5.77,;.67,-.38,;.67,1.16,;2,.39,;2,1.93,;3.34,2.7,;3.34,4.24,;2,5.01,;.67,4.24,;-.66,5.01,;.67,2.7,;-.66,1.93,;-2,2.7,;-.66,.39,;-.66,-1.15,;-2,-.38,;-2.77,.95,;-3.54,-.38,;4.67,5.01,;4.67,6.55,;6,7.31,;7.34,6.54,;7.34,5.01,;6.01,4.23,)|

BDBM50611415

[H][C@]12[C@@H](O)c3c(O[C@]1(C)[C@H](C[C@@H](C(COC(C)=O)COC(C)=O)C2(C)C)OC(=O)c1ccc(cc1)C#N)cc(oc3=O)-c1cccnc1 |r|

BDBM50611416

[H][C@@]12C[C@H](C[C@@H](OC(=O)c3ccc(cc3)C#N)[C@@]1(C)Oc1cc(oc(=O)c1[C@@H]2O)-c1cccnc1)OC(=O)c1ccc(cc1)C#N |r|

BDBM50611417

[H][C@@]12C[C@H](C[C@@H](OC(=O)Oc3ccccc3)[C@@]1(C)Oc1cc(oc(=O)c1[C@@H]2O)-c1cccnc1)OC(=O)Oc1ccccc1 |r|

BDBM50033728

[#6]\[#6](-[#6])=[#6]/[#6]=[#6](-[#8]-[#6](=O)-[#6]-[#6]-[#6]=[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|

BDBM50033733

[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:8.8|

BDBM50033741

[#6]\[#6](-[#6])=[#6]\[#6]=[#6](-[#8]-[#6](-[#6])=O)-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|

BDBM50033731

CC(C)C=CC(=O)c1cc(O)c2c(O)ccc(O)c2c1O |w:4.4|

BDBM50033725

[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:6.6|

BDBM50033722

[#6]-[#6](-[#6])-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:7.7|

BDBM50200396

[#6]-[#6](-[#6])-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:8.8|

BDBM50033739

[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:7.7|

BDBM50200395

[#6]\[#6](-[#6])=[#6]\[#6]=[#6](-[#8]-[#6](=O)-[#6]C([#6])([#6])[#8])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|

BDBM50033710

[#6]\[#6](-[#6])=[#6]\[#6]=[#6](-[#8]-[#6](=O)-c1ccccc1)-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:4.3|

BDBM50336545

COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC3CCCC3)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(O)=O)cc(nc2c1Br)-c1csc(NC(=O)C(C)C)n1 |r|

BDBM50341782

OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CCC(CC1)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cc1 |r,wU:6.9,wD:3.2,(20.61,-31.2,;19.27,-30.45,;19.25,-28.91,;17.95,-31.23,;16.6,-30.48,;15.28,-31.27,;15.31,-32.8,;16.65,-33.55,;17.96,-32.77,;13.99,-33.59,;14.01,-35.12,;12.65,-32.84,;11.32,-33.63,;9.99,-32.88,;9.97,-31.35,;11.27,-30.55,;12.62,-31.3,;8.62,-30.6,;7.3,-31.4,;5.96,-30.65,;5.92,-29.1,;4.57,-28.36,;3.27,-29.17,;3.32,-30.7,;1.9,-28.44,;.69,-29.39,;-.59,-28.53,;-.17,-27.05,;1.38,-26.98,;2.14,-25.65,;3.68,-25.64,;1.37,-24.32,;2.76,-24.25,;-1.94,-29.27,;-3.26,-28.47,;-4.61,-29.21,;-4.65,-30.75,;-3.32,-31.55,;-1.97,-30.81,;7.25,-28.31,;8.6,-29.06,)|

BDBM50399710

Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:17.18,wD:20.22,(61.46,-10.56,;62.79,-9.79,;64.13,-10.56,;65.46,-9.79,;66.8,-10.56,;65.46,-8.26,;64.13,-7.48,;62.79,-8.25,;61.46,-7.48,;60.12,-8.25,;61.46,-5.94,;66.79,-7.49,;68.12,-8.26,;69.46,-7.49,;69.46,-5.94,;68.12,-5.17,;66.79,-5.94,;70.79,-5.16,;70.78,-3.63,;72.12,-2.86,;73.45,-3.62,;74.79,-2.85,;76.12,-3.62,;77.46,-2.85,;76.12,-5.16,;73.45,-5.17,;72.13,-5.93,)|

BDBM50429008

OC(=O)c1cccc(OCC2CCN(CC2)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cn2)c1

BDBM50429009

Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CCC(COc2cccc(c2)C(O)=O)CC1

BDBM50429570

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(Cl)cc1I)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429571

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(F)c(F)c1F)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429572

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(C#N)c(F)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429573

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(Br)cc1F)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429574

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(C)c(F)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429575

COc1ccc(cc1F)C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O |r|

BDBM50429576

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(c(F)c1)[N+]([O-])=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429577

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(Br)c(F)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429578

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(O)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429579

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccccc1C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429580

COc1ccccc1C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O |r|

BDBM50429581

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(N)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429582

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccccc1Cl)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429583

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccccc1F)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429584

COc1cccc(c1)C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O |r|

BDBM50429585

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(C=C)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429586

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccccc1C)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429587

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(c1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429588

CSc1cccc(c1)C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O |r|

BDBM50429589

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(Cl)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429590

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)N=[N+]=[N-])[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429591

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccccc1I)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429592

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(I)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429593

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(C)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429594

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(C=C)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429596

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(I)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429597

CSc1ccc(cc1)C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O |r|

BDBM50429598

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(Br)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429599

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(F)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429600

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(Br)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429601

CCc1ccc(cc1)C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O |r|

BDBM50429602

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(Cl)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429603

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(F)c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429605

COc1ccc(cc1)C(=O)O[C@H]1C[C@H]2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)OC(C)=O |r|

BDBM50429606

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cc3ccccc3s1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429607

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc3ccccc13)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429608

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc3OC(F)(F)Oc3c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429609

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc3ccccc3c1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429610

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(C)cc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429611

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)-c1ccccc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50429612

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccccc1)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50433201

C[C@@]1(COC(=O)c2ccccc2)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)c1ccccc1 |r|

BDBM50433202

CCCCCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)CCCCC |r|

BDBM50433203

COC(=O)[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50433204

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(=O)c1ccccc1 |r|

BDBM50433205

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)c1ccccc1 |r|

BDBM50433207

COc1ccc(CNC(=O)[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)OC(C)=O)c(OC)c1 |r|

BDBM50433208

CC(C)C(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50433209

CC(C)C(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50433210

CC(C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O |r|

BDBM50433211

CCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50433212

CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O |r|

BDBM50433206

CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)c1ccccc1 |r|

BDBM50433213

CC(C)C(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)C(C)C |r|

BDBM50433214

CCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)CC |r|

BDBM50433215

CC(C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O |r|

BDBM50433216

CCCNC(=O)[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50433217

CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(C)=O |r|

BDBM50433218

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)COC(=O)c1ccccc1 |r|

BDBM50433219

CCC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50433220

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]23)-c2cccnc2)[C@]1(C)C(O)=O |r|

BDBM50433221

COC(=O)CNC(=O)[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50433222

CCOC(=O)CNC(=O)[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r|

BDBM50232478

O[C@@]12CC\C=C/CCCCN3CC[C@@H](C(=C1)c1nccc4c5ccccc5[nH]c14)[C@]1(C[C@@H]4\C=C/CCCCN4[C@@H]21)C3 |r,c:4,14,36|

BDBM50069900

CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(cccc2C(C)C)C(C)C)c(c1)C(C)C

BDBM50263192

CCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(CC(O)=O)c2C

BDBM50436327

Cc1ccccc1[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(F)cc2)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1 |r|

BDBM50436329

COc1ccccc1C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1 |r|

BDBM50436330

C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1ccccc1C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1 |r|

BDBM50436331

C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccccc2Cl)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1 |r|

BDBM50436332

COc1cccc(c1)C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1 |r|

BDBM50436333

C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1ccc(cc1)[N+]([O-])=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1 |r|

BDBM50436334

C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccccc2F)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1 |r|

BDBM50436335

C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(C=O)cc2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1 |r|

BDBM50436336

C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2cccc(Br)c2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1 |r|

BDBM50436337

C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1cccc(c1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1 |r|

BDBM50436338

C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2cccc(Cl)c2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1 |r|

BDBM50436339

COc1ccc(cc1)C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1 |r|

BDBM50436340

C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2cccc(F)c2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1 |r|

BDBM50436341

C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(Br)cc2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1 |r|

BDBM50436342

C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(Cl)cc2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1 |r|

BDBM50436343

C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(F)cc2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1 |r|

BDBM50436344

C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1 |r|

BDBM50436345

C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1cccc2ccccc12 |r|

BDBM50436347

Cc1ccc([C@@H]2OC[C@]3(C)[C@H](CC[C@@]4(C)[C@H]3C[C@H](OC(=O)c3ccc(cc3)C#N)[C@@]3(C)Oc5cc(oc(=O)c5[C@H](O)[C@H]43)-c3cccnc3)O2)c(C)c1 |r|

BDBM50436348

C[C@]12CC[C@@H]3O[C@@H](OC[C@@]3(C)[C@@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)c1ccccc1F |r|

BDBM50436349

COc1ccccc1[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1 |r|

BDBM50436350

Cc1ccc(cc1)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(F)cc2)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1 |r|

BDBM50436351

Cc1ccc(cc1)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1 |r|

BDBM50436352

Cc1cccc(c1)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(F)cc2)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1 |r|

BDBM50436353

Cc1cccc(c1)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1 |r|

BDBM50003815

CC1(C)Oc2nc(nc(N)c2N=C1c1ccc2c(CC[C@@]22CC[C@H](CC(O)=O)CC2)c1)C(F)(F)F |r,wU:20.22,wD:23.26,c:12,(27.23,-21.22,;25.69,-21.22,;26.46,-22.55,;24.36,-22,;23.03,-21.23,;21.69,-22.01,;20.36,-21.24,;20.36,-19.69,;21.69,-18.92,;21.68,-17.38,;23.02,-19.69,;24.35,-18.91,;25.69,-19.67,;27.02,-18.9,;27,-17.37,;28.32,-16.58,;29.67,-17.35,;29.68,-18.88,;31.15,-19.35,;32.04,-18.1,;31.12,-16.86,;30.02,-15.78,;30.42,-14.29,;31.91,-13.88,;32.3,-12.39,;33.79,-11.99,;34.89,-13.08,;34.19,-10.5,;33,-14.97,;32.61,-16.45,;28.35,-19.66,;19.02,-22.01,;17.69,-21.24,;19.02,-23.55,;17.68,-22.77,)|

BDBM50009391

OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2n(ccc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(65.24,-4.33,;65.41,-2.8,;66.81,-2.18,;64.16,-1.9,;62.75,-2.52,;61.51,-1.61,;60.09,-2.24,;59.94,-3.76,;61.19,-4.67,;62.59,-4.05,;58.53,-4.39,;58.37,-5.92,;56.96,-6.55,;55.72,-5.64,;55.88,-4.12,;57.28,-3.49,;54.31,-6.26,;53.07,-5.35,;51.66,-5.98,;51.5,-7.51,;50.25,-8.42,;50.73,-9.89,;52.28,-9.89,;52.75,-8.42,;54.15,-7.79,;48.79,-7.95,;48.46,-6.44,;47.64,-8.98,;46.18,-8.51,;45.86,-7,;44.4,-6.53,;43.25,-7.56,;43.58,-9.07,;45.04,-9.54,)|

BDBM50009432

OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(49.67,-49.46,;49.66,-47.92,;50.99,-47.14,;48.32,-47.16,;46.99,-47.94,;45.65,-47.18,;44.32,-47.96,;44.34,-49.5,;45.68,-50.26,;47,-49.48,;43.01,-50.28,;43.03,-51.82,;41.7,-52.6,;40.36,-51.84,;40.34,-50.31,;41.66,-49.52,;39.03,-52.62,;37.69,-51.86,;36.36,-52.63,;36.39,-54.19,;35.07,-54.96,;35.08,-56.5,;36.42,-57.26,;37.75,-56.48,;37.73,-54.94,;39.05,-54.15,;33.73,-54.2,;33.72,-52.66,;32.4,-54.98,;31.06,-54.22,;31.05,-52.69,;29.71,-51.93,;28.38,-52.71,;28.4,-54.26,;29.74,-55.01,)|

BDBM50009444

Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:26.29,wD:29.33,(49,-7.53,;50.33,-8.3,;50.33,-9.84,;51.67,-10.61,;51.67,-12.15,;53.01,-12.92,;50.34,-12.93,;49,-12.16,;49,-10.62,;47.67,-9.85,;46.33,-10.63,;46.34,-12.18,;47.68,-12.94,;53,-9.84,;54.34,-10.6,;55.67,-9.83,;55.66,-8.28,;54.32,-7.52,;53,-8.29,;51.66,-7.53,;56.99,-7.5,;58.33,-8.27,;59.66,-7.5,;59.65,-5.95,;58.3,-5.19,;56.98,-5.97,;60.98,-5.17,;60.97,-3.64,;62.3,-2.86,;63.64,-3.63,;64.97,-2.85,;66.31,-3.62,;66.31,-5.15,;67.64,-2.84,;63.65,-5.17,;62.32,-5.94,)|

BDBM113723

Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(OCC(C)(C)C(O)=O)nc1

BDBM50009446

Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(OCC(C)(C)C(O)=O)[n+]([O-])c1

BDBM50020045

C[C@@H]1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:26.29,1.0,wD:29.33,(3.83,-10.05,;5.18,-10.79,;5.22,-12.33,;6.57,-13.07,;6.61,-14.61,;7.95,-15.34,;5.29,-15.41,;5.33,-16.94,;4.01,-17.74,;4.05,-19.28,;5.4,-20.01,;6.71,-19.21,;6.68,-17.68,;7.88,-12.27,;9.23,-13.01,;10.55,-12.21,;10.51,-10.67,;9.16,-9.93,;7.85,-10.73,;6.5,-9.99,;11.83,-9.87,;11.79,-8.33,;13.1,-7.53,;14.45,-8.27,;14.49,-9.81,;13.18,-10.61,;15.77,-7.47,;15.73,-5.93,;17.04,-5.13,;18.39,-5.87,;19.71,-5.07,;19.67,-3.53,;20.99,-2.73,;18.32,-2.79,;18.43,-7.41,;17.12,-8.21,)|

BDBM50020047

CC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:26.29,wD:29.33,(3.83,-10.05,;5.18,-10.79,;5.22,-12.33,;6.57,-13.07,;6.61,-14.61,;7.95,-15.34,;5.29,-15.41,;5.33,-16.94,;4.01,-17.74,;4.05,-19.28,;5.4,-20.01,;6.71,-19.21,;6.68,-17.68,;7.88,-12.27,;9.23,-13.01,;10.55,-12.21,;10.51,-10.67,;9.16,-9.93,;7.85,-10.73,;6.5,-9.99,;11.83,-9.87,;11.79,-8.33,;13.1,-7.53,;14.45,-8.27,;14.49,-9.81,;13.18,-10.61,;15.77,-7.47,;15.73,-5.93,;17.04,-5.13,;18.39,-5.87,;19.71,-5.07,;19.67,-3.53,;20.99,-2.73,;18.32,-2.79,;18.43,-7.41,;17.12,-8.21,)|

BDBM50020046

OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccc(F)cc1C(F)(F)F |r,wU:4.3,wD:7.10,(21.59,-12.75,;22.36,-11.41,;23.9,-11.41,;21.59,-10.08,;20.05,-10.08,;19.28,-11.41,;17.74,-11.41,;16.97,-10.08,;17.74,-8.74,;19.28,-8.74,;15.43,-10.08,;14.66,-11.41,;13.12,-11.41,;12.35,-10.08,;13.12,-8.74,;14.66,-8.74,;10.81,-10.08,;10.04,-8.74,;8.5,-8.74,;7.73,-10.08,;6.19,-10.08,;5.42,-11.41,;6.19,-12.75,;7.73,-12.75,;8.5,-11.41,;10.04,-11.41,;5.42,-8.74,;6.19,-7.41,;3.88,-8.74,;3.11,-7.41,;3.88,-6.08,;3.11,-4.74,;1.57,-4.74,;.8,-3.41,;.8,-6.08,;1.57,-7.41,;.8,-8.74,;-.62,-8.96,;1.42,-10.14,;.03,-10.08,)|

BDBM50204547

CCC[C@@H]1CC(C[C@@]2(O1)C(=O)Nc1ccccc21)=NOCc1ccccc1 |r|

BDBM50204552

CCC[C@@H]1C\C(C[C@@]2(O1)C(=O)Nc1ccccc21)=N\OCc1ccccc1 |r|

BDBM50204548

CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)N(C)c1cccc(Br)c21)NCc1ccccc1 |r|

BDBM50204553

CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)N(Cc1ccccc1)c1ccccc21)NCc1ccccc1 |r|

BDBM50204555

CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)Nc1ccccc21)N1CCCC1 |r|

BDBM50204551

CCC[C@H]1C\C(C[C@]2(O1)C(=O)Nc1ccccc21)=N\OCc1ccccc1 |r|