SMILES for Aldehyde dehydrogenase, mitochondrial

CC1(O)CC(C1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O |(-6.69,8.43,;-5.89,7.12,;-5.08,8.43,;-6.98,6.03,;-5.89,4.94,;-4.8,6.03,;-5.89,3.4,;-7.22,2.63,;-4.55,2.63,;-4.15,1.14,;-2.67,1.54,;-3.07,3.03,;-1.33,.77,;;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;5.33,,;6.67,-.77,;6.67,-2.31,;8,-3.08,;8,-4.62,;9.34,-5.39,;10.67,-4.62,;12,-5.39,;13.34,-4.62,;14.67,-3.85,;12.57,-3.29,;14.11,-5.95,;10.67,-3.08,;9.34,-2.31,;5.33,-3.08,;5.33,-4.62,)|

BDBM118224

CC(C)(O)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O

BDBM118225

CC1(COC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O

BDBM118226

CC(O)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O

BDBM118227

CN1CCC(CC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O

BDBM118228

CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CC1(F)F

BDBM118229

CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CCC1

BDBM118230

CC1(CC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O

BDBM118231

CC(C)(C)OC(=O)NC1(CCC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O

BDBM118232

CC(C)(C)OC(=O)NC1(CC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O

BDBM118233

CN(C(=O)OC(C)(C)C)C1(CC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O

BDBM153687

Cc1cccc(Cl)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1

BDBM153688

Cc1cccc(C)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1

BDBM153689

Cc1cc(cc(=O)[nH]1)-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1

BDBM223457

CCCSc1nnc-2c(OC(Nc3ccccc-23)C(=O)c2ccc(OC)cc2)n1

BDBM223458

CCSc1nnc-2c(OC(Nc3ccccc-23)C(=O)c2ccc(OC)cc2)n1

BDBM223460

CCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccncc2)c2ccccc12

BDBM223461

Cc1ccc(cc1)S(=O)(=O)NC(O)C(=O)c1cccs1

BDBM223462

OC(NC(=O)c1cccnc1)C(=O)c1cccs1

BDBM223463

OC(NC(=O)c1ccncc1)C(=O)c1cccs1

BDBM223464

O=C1Nc2ccccc2C11Oc2ccccc2C2CC(=NN12)c1ccccc1 |c:22|

BDBM223465

CCn1c(cs\c1=N\c1ccccc1)-c1ccc(OC)c(F)c1

BDBM223466

CCCC1C(C#N)=C(NC(C)=C1C(C)=O)SCC(=O)c1ccc(Br)cc1 |c:6,10|

BDBM616976

CCNC(=S)SSC(=S)NCC

BDBM50570509

CCN(Cc1ccc(O)cc1)C(=S)SSC(=S)N(CC)Cc1ccc(O)cc1

BDBM50570510

CCN(Cc1ccc(cc1)C(O)=O)C(=S)SSC(=S)N(CC)Cc1ccc(cc1)C(O)=O

BDBM50570511

CCN(CCC(O)=O)C(=S)SSC(=S)N(CC)CCC(O)=O

BDBM50570512

CCN(CCO)C(=S)SSC(=S)N(CC)CCO

BDBM616984

CCCN(CC)C(=S)SSC(=S)N(CC)CCC

BDBM50555842

CC(C)N(C(C)C)C(=S)SSC(=S)N(C(C)C)C(C)C

BDBM616988

CCCCCN(CCCC)C(=S)SSC(=S)N(CCCCC)CCCCC

BDBM617003

C=CCCCCNC(=S)SSC(=S)NCCCC=C

BDBM617005

CCOCCNC(=S)SSC(=S)NCCOCC

BDBM617064

CCN(Cc1ccco1)C(=S)SSC(=S)N(CC)Cc1ccco1

BDBM50058655

CCN(CC)C(=S)SSC(=S)N(CC)CC

BDBM43362

CN(C)C(=S)SSC(=S)N(C)C

BDBM50570515

CC(C)CN(CC(C)C)C(=S)SSC(=S)N(CC(C)C)CC(C)C

BDBM50570514

CCCCN(CCCC)C(=S)SSC(=S)N(CCCC)CCCC

BDBM617063

CCN(Cc1ccncc1)C(=S)SSC(=S)N(CC)Cc1ccncc1

BDBM50456247

Fc1ccc2ncc(C(=O)N3CCN(CC3)C(=O)C3CC3)c(N3CCC(CC3)(C#N)c3ccccc3)c2c1

BDBM50456246

CC1(C)CCC(=CC1)c1c(cnc2ccc(F)cc12)C(=O)N1CCN(CC1)S(C)(=O)=O |c:5|

BDBM50076742

CCN(CC)c1ccc(cc1)C=O

BDBM50459608

C(CCCCNC(=O)C(Cl)Cl)CCCNC(=O)C(Cl)Cl

BDBM50093529

Oc1ccc(cc1)-c1coc2cc(OCCCCBr)ccc2c1=O

BDBM50093532

Oc1ccc(cc1)-c1coc2cc(OCCCCCCBr)ccc2c1=O

BDBM50093535

OC(=O)CCCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50093536

Oc1ccc(cc1)-c1coc2cc(OCC=C)ccc2c1=O

BDBM50093534

OC(=O)CCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50093537

OC(=O)CCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50093530

Oc1ccc(cc1)-c1coc2cc(OCCCBr)ccc2c1=O

BDBM23420

c1cc(ccc1C2=COc3cc(ccc3C2=O)O)O

BDBM50093538

CCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50093528

OCC(O)COc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50093531

OC(=O)CCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50093533

Oc1ccc(cc1)-c1coc2cc(OCCC3OCCCO3)ccc2c1=O

BDBM50409029

OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O |r|

BDBM50104873

CC(Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O)C(O)=O

BDBM50104874

CC(C)Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50104876

OCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50104878

NCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50104879

OC(=O)COc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50104882

OCCCCCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50104881

CCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50104886

OC(=O)CCCCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50042986

Oc1ccc(cc1)C(=O)\C=C\c1ccccc1

BDBM50104884

CCOC(=O)COc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50104880

OCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50104875

CCOC(=O)CCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50104893

CCCCC(Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O)C(=O)OCC

BDBM50104877

NCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50104889

Oc1ccc(cc1)-c1coc2cc(OCCCCC=C)ccc2c1=O

BDBM50104890

CCOC(=O)C(C)Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50104888

OC(=O)CCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50104891

Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1

BDBM50104892

OC(=O)CCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50104896

OCCOCCOCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50104894

CCOC(=O)CCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50104885

OCCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50104895

CC1=C(C(=O)OC2CC(Cl)CCC12)c1ccccc1 |t:1|

BDBM50104902

Cc1ccc2C(CC(=O)Oc2c1)c1ccccc1

BDBM50104897

CCCCCCC(Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O)C(=O)OCC

BDBM50104898

CCCCCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50104899

CCCCC(Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O)C(O)=O

BDBM50104900

OC(=O)CCCCCCCCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50104903

CCCCCCC(Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O)C(O)=O

BDBM50104901

OC(=O)CCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(O)cc1

BDBM50409313

COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O |r|

BDBM50555600

NC(=N)SCc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1

BDBM50555599

NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(Br)ccc23)cc1

BDBM50555601

NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cccc(Br)c23)cc1

BDBM50555602

NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(Cl)ccc23)cc1

BDBM50555603

NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cccc(Cl)c23)cc1

BDBM50555604

NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(F)ccc23)cc1

BDBM50555605

NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cccc(F)c23)cc1

BDBM50555606

NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(ccc23)C(F)(F)F)cc1

BDBM50555607

NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cccc(c23)C(F)(F)F)cc1

BDBM50555608

NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(Br)c23)cc1

BDBM50555609

NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(Cl)cc(Cl)c23)cc1

BDBM50555610

NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(F)cc(Br)c23)cc1

BDBM50555611

NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1

BDBM50555612

NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(Br)ccc23)cc1

BDBM50555613

NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cccc(Br)c23)cc1

BDBM50555614

NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(Cl)ccc23)cc1

BDBM50555615

NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cccc(Cl)c23)cc1

BDBM50555616

NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(F)ccc23)cc1

BDBM50555617

NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cccc(F)c23)cc1

BDBM50555618

NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(ccc23)C(F)(F)F)cc1

BDBM50555619

NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cccc(c23)C(F)(F)F)cc1

BDBM50555620

NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(Br)c23)cc1

BDBM50555621

NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(Cl)cc(Cl)c23)cc1

BDBM50555622

NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(F)cc(Br)c23)cc1

BDBM50557070

COc1ccc(CNc2ccc(N3CCOCC3)c(c2)C(=O)NCC2CC2)cc1F

BDBM50557071

c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl

BDBM50570513

CC(C)N(C(C)C)C(=S)SSC(=S)N(C)C

BDBM50414948

S=C(SSC(=S)N1CCCCC1)N1CCCCC1

BDBM50414944

S=C(SSC(=S)N1CCOCC1)N1CCOCC1

BDBM78304

Oc1ccc(CC=C)cc1-c1cc(CC=C)ccc1O

BDBM50572089

Cc1cccc(Cn2c(CN3CCN(CC3)C(=O)C3CC3)nc3ccccc23)c1

BDBM50572090

CCC(=O)N1CCN(Cc2nc3ccccc3n2Cc2cccc(C)c2)CC1

BDBM50572091

CC(C)C(=O)N1CCN(Cc2nc3ccccc3n2Cc2cccc(C)c2)CC1

BDBM50572092

[#6]\[#6](-[#6])=[#6]/[#6]-n1c(-[#6]-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-2-[#6]-[#6]-2)nc2ccccc12

BDBM50572093

Clc1ccccc1Cn1c(CN2CCN(CC2)C(=O)C2CC2)nc2ccccc12

BDBM50572094

Clc1cccc(Cn2c(CN3CCN(CC3)C(=O)C3CC3)nc3ccccc23)c1

BDBM50572095

FC(F)(F)c1cccc(Cn2c(CN3CCN(CC3)C(=O)C3CC3)nc3ccccc23)c1

BDBM50236896

CCCc1c(C)c2cc3c(C)coc3cc2oc1=O

BDBM50236899

CCCC1=C(c2cc3c(c(oc3cc2OC1=O)C)C)C

BDBM50236900

Cc1oc2cc3oc(=O)c(C)c(C)c3cc2c1C

BDBM50236901

COC(=O)C(C)Oc1ccc2c(C)cc(=O)oc2c1

BDBM50236910

C\C(=N/O)c1cc2cc(Br)ccc2oc1=O

BDBM106769

C(c1ccccc1)n1c(nc2ccccc12)-c1ccccc1

BDBM50365463

CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|

BDBM50172756

CN(CC#C)Cc1ccccc1

BDBM50292380

OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)C1(c2ccc3C(=O)c4cc(CO)cc(O)c4C(=O)c3c2O)c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 |r|

BDBM50359990

COc1cc(O)c2c(c1)occ(-c1ccc(O)cc1)c2=O

BDBM50414919

CN1CCN(CC1)C(=S)SSC(=S)N1CCN(C)CC1

BDBM22794

c1ccc(cc1)CN2c3ccccc3C(=O)C2=O

BDBM50448790

Cc1cc2c(c(c1)Br)NC(=O)C2=O

BDBM50448792

Brc1ccc2N(CN3CCN(Cc4ccc5OCOc5c4)CC3)C(=O)C(=O)c2c1

BDBM50448793

O=C1N(CN2CCN(Cc3ccc4OCOc4c3)CC2)c2ccccc2C1=O

BDBM50448799

O=C1N(CN2CCN(Cc3ccccc3)CC2)c2ccccc2C1=O

BDBM50448800

CN1CCN(CN2C(=O)C(=O)c3ccccc23)CC1

BDBM22841

O=C1N(CN2CCOCC2)c2ccccc2C1=O

BDBM50448801

Clc1ccc2N(C\C=C\c3ccccc3)C(=O)C(=O)c2c1

BDBM47902

O=C1N(C\C=C\c2ccccc2)c2ccccc2C1=O

BDBM47880

O=C1N(CCCc2ccccc2)c2ccccc2C1=O

BDBM50448802

Brc1ccc2N(CCc3ccccc3)C(=O)C(=O)c2c1

BDBM50448803

Clc1ccc2N(CCc3ccccc3)C(=O)C(=O)c2c1

BDBM50448804

c1ccc(cc1)CCN2c3ccccc3C(=O)C2=O

BDBM50448805

Brc1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1

BDBM50133625

Clc1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1

BDBM50448806

CCCCCN1C(=O)C(=O)c2ccccc12

BDBM65735

CCCCn1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12

BDBM50076551

CC(C)CCn1c(CN2CCC(C)CC2)nc2n(C)c(=O)n(C)c(=O)c12

BDBM50076552

CC(C)CCn1c(CN(C)Cc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12

BDBM50076553

CC(C)CCn1c(CN2CCOCC2)nc2n(C)c(=O)n(C)c(=O)c12

BDBM50076740

Cn1c2nc(CN3CCC(CC3)C(N)=O)n(CCCc3ccccc3)c2c(=O)n(C)c1=O

BDBM50236902

Cc1cc(=O)oc2cc3OC(=O)CCc3cc12

BDBM50236903

Cc1coc2c1c(C)cc1oc(=O)c(C)c(C)c21

BDBM50236904

Cc1c(oc2c1cc3c(c2)OC(=O)C(=C3C)CCC(=O)N4CCCCC4)C

BDBM50236907

Cc1oc2cc3oc(=O)c4ccccc4c3cc2c1C

BDBM50236908

CCCc1cc(=O)oc2cc3oc(C)c(C)c3cc12

BDBM50236905

Cc1oc2cc3oc(=O)c4CCCc4c3cc2c1C

BDBM50236909

Cc1oc2cc3oc(=O)c4CCCCc4c3cc2c1C

BDBM50303403

Cc1cc(=O)oc2cc(OCC#N)ccc12