SMILES for Glycine receptor subunit alpha-1

162 SMILES Strings for Glycine receptor subunit alpha-1

Compound Name

SMILES String

BDBM50220047

Brc1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@@H]2[C@@H]5[C@@H]4N([C@@H]4OCC=C6C[N+]7(Cc8ccc(Br)cc8)CC[C@@]89[C@@H]7C[C@@H]6[C@@H]4[C@@H]8N([C@@H]5OCC=C2C3)c2ccccc92)c2ccccc2)cc1 |w:6.5,22.24,c:51,t:21,TEB:5:6:11:14.13.9,23:22:33.38.37:35|

BDBM50220061

C(c1ccccc1)[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(Cc7ccccc7)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1 |w:7.7,23.26,c:52,t:23,TEB:0:7:12:15.14.10,24:23:33.38.37:35|

BDBM50220040

C1CN2CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@H]1[C@H]5N([C@@H]1OCC=C2CN3CC[C@@]56[C@@H]3C[C@@H]2[C@@H]1[C@@H]5N4c1ccccc61)c1ccccc1 |t:4,23|

BDBM50220050

C1C[N+]2(CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@H]1[C@H]5N([C@@H]1OCC=C2C[N+]3(CC[C@@]56[C@@H]3C[C@@H]2[C@@H]1[C@@H]5N4c1ccccc61)C1CCCC=C1)c1ccccc1)C1CCCC=C1 |w:22.26,38.49,50.63,2.2,c:53,67,t:4,23,TEB:23:22:25.30.29:27|

BDBM50220054

C=CC[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5CN6CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1 |w:3.2,c:39,t:18,TEB:2:3:8:11.10.6|

BDBM50220056

C=CC[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(CC=C)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1 |w:3.2,19.21,c:42,t:18,TEB:20:19:25.30.29:27,2:3:8:11.10.6|

BDBM50016623

CC(=O)N1CC2(CCCC2)c2ccccc12

BDBM50016624

CC(=O)N1CCc2ccccc12

BDBM50220048

CC(=O)OCC[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(CCOC(C)=O)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1 |w:6.5,22.24,c:48,t:21,TEB:23:22:31.36.35:33,5:6:11:14.13.9|

BDBM50208078

CC(C)(C)[C@@H]1CC2OC(=O)C34OC5OC(=O)[C@H](O)C15[C@@]23CC1OC(=O)[C@](C)(O)[C@]41O

BDBM50133817

CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1

BDBM50459970

CC(C)c1cc(cc(C(C)C)c1O)C(=O)N1CC(F)C1

BDBM50459971

CC(C)c1cc(cc(C(C)C)c1O)C(=O)N1CC2(COC2)C1

BDBM199088

CC(C)c1cc(cc(C(C)C)c1O)C(=O)N1CCN(C)CC1

BDBM50459968

CC(C)c1cc(cc(C(C)C)c1O)C(=O)N1CCO[C@H](C)C1 |r|

BDBM198936

CC(C)c1cc(cc(C(C)C)c1O)C(O)=O

BDBM198934

CC(C)c1cc(cc(C(C)C)c1OCc1ccccc1)C(=O)N1CC(F)C1

BDBM198933

CC(C)c1cc(cc(C(C)C)c1OCc1ccccc1)C(Cl)=O

BDBM50012899

CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(cc1)S(C)=O |c:1|

BDBM50208080

CC1=C2C(OC1=O)=C[C@]13C4OC(=O)[C@@]21OC1OC(=O)[C@H](O)C31[C@@H]([C@H]4O)C(C)(C)C |c:7,t:1|

BDBM50208076

CC1=C2[C@H](C[C@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@]24OC5=O)OC1=O |t:1|

BDBM50016625

CC1N(C(C)=O)c2ccccc2C1(C)C

BDBM60994

CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|

BDBM50043280

CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C

BDBM81790

CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC

BDBM50208061

CCN[C@@H]1C2OC(=O)[C@]34OC5OC(=O)[C@H](O)C5([C@@H]1C(C)(C)C)[C@@]23[C@@H](O)[C@@H]1OC(=O)[C@@H](C)[C@]41O

BDBM50436166

CN1C(=O)N(C)\C(=C\c2c[nH]c3ccccc23)C1=O

BDBM50436164

CN1C(=O)NC(=O)\C1=C/c1c[nH]c2ccccc12

BDBM50436165

CN1C(=[NH2+])N(C)[C@]2(Cc3c([nH]c4ccccc34)[C@@]3([C@H]2c2c[nH]c4ccccc24)N(C)C(=[NH2+])N(C)C3=O)C1=O |r|

BDBM50016626

CN1CCC2(C1)CN(C(C)=O)c1ccccc21

BDBM50016570

CN1CCC2(CNc3ccccc23)C1

BDBM22869

CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|

BDBM50415210

CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)c1cc2ccccc2[nH]1 |r,THB:9:7:1:3.4|

BDBM50304334

CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)c1cc2ccccc2n1C |r,THB:9:7:1:3.4|

BDBM50415201

CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)c1ccc[nH]1 |r,THB:9:7:1:3.4|

BDBM50415207

CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)c1cccn1C |r,THB:9:7:1:3.4|

BDBM50415208

CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)c1cccnc1 |r,THB:9:7:1:3.4|

BDBM50415205

CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)c1ccco1 |r,THB:9:7:1:3.4|

BDBM50415203

CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)c1cccs1 |r,THB:9:7:1:3.4|

BDBM50415211

CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)c1cnc2ccccc2c1 |r,THB:9:7:1:3.4|

BDBM50363397

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1

BDBM50022784

CNCCC(Oc1ccccc1C)c1ccccc1

BDBM84745

CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|

BDBM50208086

CN[C@@H]1C2OC(=O)[C@]34OC5OC(=O)[C@H](O)C5([C@@H]1C(C)(C)C)[C@@]23[C@@H](O)[C@@H]1OC(=O)[C@@H](C)[C@]41O

BDBM50208088

COC(=O)C(C)[C@H]1CC[C@@]23C4C[C@@H](C(C)(C)C)C22C(OC(=O)[C@@H]2O)O[C@]13C(=O)O4

BDBM50208065

COC(=O)C(\C)=C1/CC[C@@]23C4C[C@@H](C(C)(C)C)C22[C@@H](O)C(=O)OC2O[C@]13C(=O)O4

BDBM50208079

COC1C[C@]23C4C[C@@H](C(C)(C)C)C22C(OC(=O)[C@@H]2OC(C)=O)O[C@]3(C(=O)O4)C(=O)O1

BDBM50208063

COCO[C@H]1C(=O)O[C@H]2O[C@@]34OC(=O)[C@@H]5C[C@@H](C(C)(C)C)[C@]12[C@@]35C[C@@H]1OC(=O)[C@@H](C)[C@]41O

BDBM50208067

CO[C@@H](C(=O)OC)C12C(OC)O[C@@]34C(=O)OC(C[C@H]1C(C)(C)C)[C@]23C[C@@H]1OC(=O)[C@@H](C)[C@]41O

BDBM50208062

CO[C@H]1C(=O)OC2O[C@@]34C(=O)OC5C[C@@H](C(C)(C)C)C12[C@]35CC(OC)OC4=O

BDBM50208060

CO[C@H]1C(=O)O[C@H]2O[C@@]34OC(=O)[C@@H]5[C@H](O)[C@@H](C(C)(C)C)[C@]12[C@]35[C@@H](O)[C@@H]1OC(=O)[C@@H](C)[C@]41O

BDBM24226

COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1

BDBM50220042

COc1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@@H](\C(C3)=C/CO)\C2=C\N3[C@H]5[C@H]6[C@H]7C[C@H]8[C@@]5(CC[N+]8(Cc5ccc(OC)c(OC)c5)CC7=CCO[C@H]6N([C@H]42)c2ccccc2)c2ccccc32)cc1OC |w:30.34,7.6,c:49,t:21,TEB:31:30:27.22.23:25,6:7:12:49.19.10|

BDBM50220057

COc1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@@H]2[C@@H]5[C@@H]4N([C@@H]4OCC=C6C[N+]7(Cc8ccc(OC)c(OC)c8)CC[C@@]89[C@@H]7C[C@@H]6[C@@H]4[C@@H]8N([C@@H]5OCC=C2C3)c2ccccc92)c2ccccc2)cc1OC |w:7.6,23.25,c:55,t:22,TEB:6:7:12:15.14.10,24:23:37.42.41:39|

BDBM82071

COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1

BDBM50048280

COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O |TLB:7:8:11:15.14.13,THB:9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|

BDBM50316015

C[C@@H](CCC\C(C)=C\CCC(C)(O)CCCC1=CC(=O)N(CC(O)=O)C1)C=C1OC(=O)C(C)C1=O |r,w:27.28,t:16|

BDBM50316020

C[C@@H](CCC\C(C)=C\CCC(C)(O)CCCc1ccoc1)C=C1OC(=O)C(C)C1=O |r,w:22.23|

BDBM50416875

C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |r|

BDBM50208085

C[C@@H]1C(=O)OC2[C@@H]3OCO[C@H]4C(=O)OC5OC6(C(=O)OC7C[C@@H](C(C)(C)C)C45[C@]367)[C@@]12O

BDBM50208090

C[C@@H]1C(=O)O[C@H]2C[C@@]34C5C[C@@H](C(C)(C)C)C33C(OC(=O)C3=O)O[C@]4(C(=O)O5)[C@@]12O

BDBM50208087

C[C@@H]1C(=O)O[C@H]2C[C@@]34C5C[C@@H](C(C)(C)C)C33C(OC(=O)[C@@H]3OC(C)=O)O[C@]4(C(=O)O5)[C@@]12O

BDBM50208072

C[C@@H]1C(=O)O[C@H]2C[C@@]34C5C[C@H](C3C(=O)O[C@]4(C(=O)O5)[C@@]12O)C(C)(C)C

BDBM50208074

C[C@@H]1C(=O)O[C@H]2C[C@@]34O[C@@H]5OC(=O)[C@H](O)[C@@]55[C@@H]([C@H](O)C(OC3=O)[C@@]45[C@@]12O)C(C)(C)C

BDBM50292287

C[C@@H]1C(=O)O[C@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O |r|

BDBM50208066

C[C@@H]1C(=O)O[C@H]2C[C@]34C5OC(=O)[C@]3(OC(O)C4[C@@H]([C@H]5O)C(C)(C)C)[C@@]12O

BDBM50208077

C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34C5OC(=O)[C@@]3(OC3OC(=O)[C@H](O)C43[C@@H]([C@H]5OS(=O)(=O)C(F)(F)F)C(C)(C)C)[C@@]12O

BDBM50208073

C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34O[C@@H]5OC(=O)[C@H](O)[C@@]55[C@@H]([C@H](O)C(OC3=O)[C@@]45[C@@]12O)C(C)(C)C

BDBM50251276

C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O |r|

BDBM50208081

C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5[C@@H](Cl)[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@]4(OC5=O)[C@@]12O

BDBM50208068

C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5[C@@H](F)[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@]4(OC5=O)[C@@]12O

BDBM50208082

C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5[C@@H](N=[N+]=[N-])[C@@H](C(C)(C)C)[C@]33[C@@H](OC(=O)[C@@H]3O)O[C@]4(OC5=O)[C@@]12O

BDBM50208091

C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34C5OC(=O)[C@@]3(OC3OC(=O)[C@H](O)C43[C@@H](C5=O)C(C)(C)C)[C@@]12O

BDBM50208070

C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34C5OC(=O)[C@@]3(OC3OC(=O)[C@H](O)C43[C@@H]([C@@H]5O)C(C)(C)C)[C@@]12O

BDBM50208092

C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34C5OC(=O)[C@@]3(OC3OC(=O)[C@H](O)C43[C@@H]([C@@H]5OC(=O)Cc3ccccc3)C(C)(C)C)[C@@]12O

BDBM50208069

C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34C5OC(=O)[C@@]3(OC3OC(=O)[C@H](O)C43[C@@H]([C@@H]5OC(C)=O)C(C)(C)C)[C@@]12O

BDBM50208083

C[C@@H]1CO[C@@H]2C[C@@]34C5C[C@@H](C(C)(C)C)C33[C@@H](O)C(=O)OC3O[C@]4(C(=O)O5)[C@@]12O

BDBM50208075

C[C@@H]1CO[C@H]2C[C@@]34C5C[C@@H](C(C)(C)C)C33[C@@H](O)COC3O[C@]4(C(=O)O5)[C@@]12O

BDBM50208089

C[C@@H]1CO[C@H]2C[C@@]34C5C[C@@H](C(C)(C)C)C33[C@@H](O)COC3O[C@]4(CO5)[C@@]12O

BDBM50208059

C[C@@H]1[C@H]2[C@H](C[C@@]34C5C[C@@H](C(C)(C)C)C33C(OC(=O)[C@@H]3OC(C)=O)O[C@]24C(=O)O5)OC1=O

BDBM50411311

C[C@H]1[C@H]2[C@@H](OC1=O)[C@H](O)[C@]13C4OC(=O)[C@]21OC1OC(=O)[C@H](O)C31[C@@H]([C@H]4O)C(C)(C)C

BDBM50340481

C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F |r,c:12|

BDBM50220046

C[N+](C)(C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)C)c1ccccc31

BDBM50220045

C[N+](C)(CC=C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)CC=C)c1ccccc31

BDBM50220041

C[N+](C)(Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)Cc1ccc(cc1)[N+]([O-])=O)c1ccccc31)Cc1ccc(cc1)[N+]([O-])=O

BDBM50220058

C[N+]12CCC34[C@@H]1C[C@@H](\C(C2)=C/CO)\C1=C\N2[C@H]5\C(=C/N([C@H]31)c1ccccc41)[C@H]1C[C@H]3[C@@]5(CC[N+]3(C)C\C1=C\CO)c1ccccc21 |w:4.3,33.41,1.0,c:19,t:15,TEB:34:33:28:17.16.30,0:1:4.20.13:6,3:4:6:1.8.9|

BDBM50220051

C[N+]12CC[C@H]3[C@@H]1C[C@@H](\C(C2)=C/CO)\C1=C\N2[C@H]4[C@H]5[C@H]6C[C@H]7[C@@]4(CC[N+]7(C)CC6=CCO[C@H]5N([C@H]31)c1ccccc1)c1ccccc21 |w:1.0,24.28,c:32,t:15,TEB:0:1:6:33.13.4,25:24:21.16.17:19|

BDBM50220049

C[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(C)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1 |w:1.0,17.19,c:38,t:16,TEB:0:1:6:9.8.4,18:17:21.26.25:23|

BDBM50220053

C\C=C\C[N+]12CC[C@H]3[C@@H]1C[C@@H]1[C@@H]4[C@@H]3N([C@@H]3OCC=C5C[N+]6(C\C=C\C)CC[C@@]78[C@@H]6C[C@@H]5[C@@H]3[C@@H]7N([C@@H]4OCC=C1C2)c1ccccc81)c1ccccc1 |w:4.3,20.22,c:44,t:19,TEB:21:20:27.32.31:29,3:4:9:12.11.7|

BDBM50001885

Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12

BDBM50304335

Cn1c(cc2ccccc12)C(=O)OC1C[C@H]2CC[C@H](C1)N2 |r,TLB:12:13:20:16.17|

BDBM50334150

Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1

BDBM26948

Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1

BDBM22913

NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|

BDBM18133

NCC(O)=O

BDBM50304333

O=C(OC1C[C@H]2CC[C@H](C1)N2)c1cc2ccccc2[nH]1 |r,TLB:2:3:10:6.7|

BDBM50415202

O=C(OC1C[C@H]2CC[C@H](C1)N2)c1ccc[nH]1 |r,TLB:2:3:10:6.7|

BDBM50415209

O=C(OC1C[C@H]2CC[C@H](C1)N2)c1cccnc1 |r,TLB:2:3:10:6.7|

BDBM50415206

O=C(OC1C[C@H]2CC[C@H](C1)N2)c1ccco1 |r,TLB:2:3:10:6.7|

BDBM50415204

O=C(OC1C[C@H]2CC[C@H](C1)N2)c1cccs1 |r,TLB:2:3:10:6.7|

BDBM50415200

O=C(OC1C[C@H]2CC[C@H](C1)N2)c1cnc2ccccc2c1 |r,TLB:2:3:10:6.7|

BDBM50016664

OC(=O)C(O)=O.CC(=O)N1CC2(CCN(CC=C)C2)c2ccccc12

BDBM50016663

OC(=O)C(O)=O.CC(=O)N1CC2(CCN(Cc3ccccc3)C2)c2ccccc12

BDBM50016665

OC(=O)C(O)=O.CC(=O)N1CC2(CCNC2)c2ccccc12

BDBM50022889

OC(C1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F

BDBM21398

OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1

BDBM50249032

OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O |r|

BDBM50220059

OC\C=C1\CN2CC[C@H]3[C@@H]2C[C@@H]1\C1=C\N2[C@H]4[C@H]5[C@H]6C[C@@H]7N(CC[C@]47c4ccccc24)CC6=CCO[C@H]5N([C@H]31)c1ccccc1 |c:38,t:14|

BDBM50220052

OC\C=C1\C[N+]2(CC=C)CCC34[C@@H]2C[C@@H]1\C1=C\N2[C@H]5\C(=C/N([C@H]31)c1ccccc41)[C@H]1C[C@H]3[C@@]5(CC[N+]3(CC=C)C\C1=C\CO)c1ccccc21 |w:11.10,35.43,5.5,c:21,t:17,TEB:36:35:30:19.18.32,6:5:11.22.15:13,10:11:13:5.3.4|

BDBM50220055

OC\C=C1\C[N+]2(CC[C@H]3[C@@H]2C[C@@H]1\C1=C\N2[C@H]4[C@H]5[C@H]6C[C@H]7[C@@]4(CC[N+]7(CC6=CCO[C@H]5N([C@H]31)c1ccccc1)C1CCCC=C1)c1ccccc21)C1CCCC=C1 |w:5.5,38.47,23.25,50.62,c:30,51,66,t:14,TEB:6:5:10:31.12.8,22:23:20.15.16:18|

BDBM50220044

OC\C=C1\C[N+]2(Cc3ccc(cc3)[N+]([O-])=O)CCC3[C@@H]2C[C@@H]1\C1=C\N2[C@H]4[C@H]5[C@H]6C[C@H]7[C@@]4(CC[N+]7(Cc4ccc(cc4)[N+]([O-])=O)CC6=CCO[C@H]5N([C@H]31)c1ccccc1)c1ccccc21 |w:18.18,33.38,5.5,c:52,t:25,TEB:17:18:20:5.3.4,34:33:30.25.26:28,6:5:20:51.22.18|

BDBM22914

S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1

BDBM50232886

[Br-].[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccccc7[C@@]1(CC[N+]2(CCC)C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50030475

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)C |r|

BDBM50229711

[H][C@@]12CN(C[C@]1([H])c1cnccc1N(C)C2=O)S(=O)(=O)c1ccc2occc2c1 |r|

BDBM50229715

[H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r|

BDBM50459893

[H][C@]12CO[C@]3([H])C[C@@]1([H])[C@@]1(CN(C)[C@@]2([H])[C@]1([H])[C@@]31C(=O)Nc2ccccc12)C=C |r,TLB:17:15:7.1:11.10,18:17:9:1.13,11:13:9:17.4.6,10:9:1.13:17.4.6,12:11:15:7.1,26:17:9:1.13,THB:2:1:15:11.10,2:1:9:17.4.6,3:4:9:1.13,6:7:15:11.10,27:9:1.13:17.4.6|

BDBM50232884

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(N)cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50232888

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CC)cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50570334

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CCC(=O)Nc8ccc9N%10C(=O)C[C@]%11([H])OCC=C%12CN%13CC[C@@]%14(c9c8)[C@]%13([H])C[C@]%12([H])[C@]%11([H])[C@]%10%14[H])cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5,t:39|

BDBM50570335

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CCCC(=O)Nc8ccc9N%10C(=O)C[C@]%11([H])OCC=C%12CN%13CC[C@@]%14(c9c8)[C@]%13([H])C[C@]%12([H])[C@]%11([H])[C@]%10%14[H])cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5,t:40|

BDBM50570336

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CCCCC(=O)Nc8ccc9N%10C(=O)C[C@]%11([H])OCC=C%12CN%13CC[C@@]%14(c9c8)[C@]%13([H])C[C@]%12([H])[C@]%11([H])[C@]%10%14[H])cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5,t:41|

BDBM50570337

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CCCCCCC(=O)Nc8ccc9N%10C(=O)C[C@]%11([H])OCC=C%12CN%13CC[C@@]%14(c9c8)[C@]%13([H])C[C@]%12([H])[C@]%11([H])[C@]%10%14[H])cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5,t:43|

BDBM50570333

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CCCCCCC)cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50570338

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CCCCCCCCC(=O)Nc8ccc9N%10C(=O)C[C@]%11([H])OCC=C%12CN%13CC[C@@]%14(c9c8)[C@]%13([H])C[C@]%12([H])[C@]%11([H])[C@]%10%14[H])cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5,t:45|

BDBM50570339

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CCCCCCCCCCC(=O)Nc8ccc9N%10C(=O)C[C@]%11([H])OCC=C%12CN%13CC[C@@]%14(c9c8)[C@]%13([H])C[C@]%12([H])[C@]%11([H])[C@]%10%14[H])cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5,t:47|

BDBM50570340

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CCCCCCCCCCCCC(=O)Nc8ccc9N%10C(=O)C[C@]%11([H])OCC=C%12CN%13CC[C@@]%14(c9c8)[C@]%13([H])C[C@]%12([H])[C@]%11([H])[C@]%10%14[H])cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5,t:49|

BDBM50570351

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CCCCCCCCCCNC(=O)CCCCCCC(=O)NCCCCCCCCCCC(=O)Nc8ccc9N%10C(=O)C[C@]%11([H])OCC=C%12CN%13CC[C@@]%14(c9c8)[C@]%13([H])C[C@]%12([H])[C@]%11([H])[C@]%10%14[H])cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5,t:69|

BDBM50570350

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CCCCCCCCCCNC(=O)CCCCCCC)cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50570352

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CCCCCCCCCCNC(=O)CCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)Nc8ccc9N%10C(=O)C[C@]%11([H])OCC=C%12CN%13CC[C@@]%14(c9c8)[C@]%13([H])C[C@]%12([H])[C@]%11([H])[C@]%10%14[H])cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5,t:73|

BDBM50570353

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CCCCCCCCCCNC(=O)CCCCCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)Nc8ccc9N%10C(=O)C[C@]%11([H])OCC=C%12CN%13CC[C@@]%14(c9c8)[C@]%13([H])C[C@]%12([H])[C@]%11([H])[C@]%10%14[H])cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5,t:77|

BDBM50570354

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)Nc8ccc9N%10C(=O)C[C@]%11([H])OCC=C%12CN%13CC[C@@]%14(c9c8)[C@]%13([H])C[C@]%12([H])[C@]%11([H])[C@]%10%14[H])cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5,t:83|

BDBM50570356

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CCCCCCCCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50570358

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CCCCCCCCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCCCCCCCC(=O)Nc8ccc9N%10C(=O)C[C@]%11([H])OCC=C%12CN%13CC[C@@]%14(c9c8)[C@]%13([H])C[C@]%12([H])[C@]%11([H])[C@]%10%14[H])cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5,t:101|

BDBM50570349

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CCCCNC(=O)CCCCCCCCCCCCCCC(=O)NCCCCC(=O)Nc8ccc9N%10C(=O)C[C@]%11([H])OCC=C%12CN%13CC[C@@]%14(c9c8)[C@]%13([H])C[C@]%12([H])[C@]%11([H])[C@]%10%14[H])cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5,t:65|

BDBM50570355

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50570357

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCC(=O)Nc8ccc9N%10C(=O)C[C@]%11([H])OCC=C%12CN%13CC[C@@]%14(c9c8)[C@]%13([H])C[C@]%12([H])[C@]%11([H])[C@]%10%14[H])cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5,t:89|

BDBM50570342

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CNC(=O)CCCCCC(=O)NCC(=O)Nc8ccc9N%10C(=O)C[C@]%11([H])OCC=C%12CN%13CC[C@@]%14(c9c8)[C@]%13([H])C[C@]%12([H])[C@]%11([H])[C@]%10%14[H])cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5,t:50|

BDBM50570343

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CNC(=O)CCCCCCC(=O)NCC(=O)Nc8ccc9N%10C(=O)C[C@]%11([H])OCC=C%12CN%13CC[C@@]%14(c9c8)[C@]%13([H])C[C@]%12([H])[C@]%11([H])[C@]%10%14[H])cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5,t:51|

BDBM50570341

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CNC(=O)CCCCCCC)cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50570344

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CNC(=O)CCCCCCCC(=O)NCC(=O)Nc8ccc9N%10C(=O)C[C@]%11([H])OCC=C%12CN%13CC[C@@]%14(c9c8)[C@]%13([H])C[C@]%12([H])[C@]%11([H])[C@]%10%14[H])cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5,t:52|

BDBM50570345

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CNC(=O)CCCCCCCCC(=O)NCC(=O)Nc8ccc9N%10C(=O)C[C@]%11([H])OCC=C%12CN%13CC[C@@]%14(c9c8)[C@]%13([H])C[C@]%12([H])[C@]%11([H])[C@]%10%14[H])cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5,t:53|

BDBM50570346

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CNC(=O)CCCCCCCCCCC(=O)NCC(=O)Nc8ccc9N%10C(=O)C[C@]%11([H])OCC=C%12CN%13CC[C@@]%14(c9c8)[C@]%13([H])C[C@]%12([H])[C@]%11([H])[C@]%10%14[H])cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5,t:55|

BDBM50570347

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CNC(=O)CCCCCCCCCCCCC(=O)NCC(=O)Nc8ccc9N%10C(=O)C[C@]%11([H])OCC=C%12CN%13CC[C@@]%14(c9c8)[C@]%13([H])C[C@]%12([H])[C@]%11([H])[C@]%10%14[H])cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5,t:57|

BDBM50570348

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccc(NC(=O)CNC(=O)CCCCCCCCCCCCCCC(=O)NCC(=O)Nc8ccc9N%10C(=O)C[C@]%11([H])OCC=C%12CN%13CC[C@@]%14(c9c8)[C@]%13([H])C[C@]%12([H])[C@]%11([H])[C@]%10%14[H])cc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5,t:59|

BDBM50232893

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccccc7[C@@]1(CC(=O)N2C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50225707

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |c:5|

BDBM50510756

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])[C@H](N)C(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50510757

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])[C@H](NC(=O)CC)C(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50232885

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])\C(=N/O)C(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50232890

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])\C(=N/OC)C(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50232889

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])\C(=N/OCC#C)C(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50232887

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])\C(=N/OCC(=O)OC)C(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50232894

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])\C(=N/OCC(C)C)C(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50232896

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])\C(=N/OCC=C)C(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50232897

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])\C(=N/OCCC)C(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50232883

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])\C(=N/OCCCC)C(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50232882

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])\C(=N/OCCCCC(=O)OC)C(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50232895

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])\C(=N/OCCCCC)C(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50232892

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])\C(=N/OCCc6ccccc6)C(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50232891

[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])\C(=N/OCc6ccccc6)C(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|

BDBM50220043

[O-][N+](=O)c1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@@H]2[C@@H]5[C@@H]4N([C@@H]4OCC=C6C[N+]7(Cc8ccc(cc8)[N+]([O-])=O)CC[C@@]89[C@@H]7C[C@@H]6[C@@H]4[C@@H]8N([C@@H]5OCC=C2C3)c2ccccc92)c2ccccc2)cc1 |w:8.7,24.26,c:55,t:23,TEB:7:8:13:16.15.11,25:24:37.42.41:39|