ALPI

Reference Set (111 Compounds)

$O=S(=O)(c1ccc(N/C(S)=N\N=C\c2ccc(O)c(O)c2)cc1)N1CCOCC1 ZINC000013597888$

ZINC000013597888 (search)

O=c1c2cc(O)c(O)cc2oc2cc(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c(O)c12 ZINC000015449241

ZINC000015449241 (search)

O=c1oc(-c2ccc(O)c(O)c2)cc2cc(O)cc(O)c12 ZINC000015112397

ZINC000015112397 (search)

O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O ZINC000059764685

ZINC000059764685 (search)

Cc1[nH]n(-c2nc(-c3ccccc3F)cc(=O)[nH]2)c(=O)c1CCO ZINC000100559576

ZINC000100559576 (search)

O=C(O)c1ccc2c(c1)C(=O)N(c1nc(-c3ccco3)n[nH]1)C2=O ZINC000004739683

ZINC000004739683 (search)

CNc1nnc(-c2cc3ccccc3oc2=O)s1 ZINC000000424286

ZINC000000424286 (search)

COC(=O)C/C=N/NC1=NC(=O)/C(=C/C(=O)O)S1 ZINC000004807190

ZINC000004807190 (search)

CC(C)=CCc1c(O)ccc2c1O[C@H](c1ccc(O)c(O)c1)CC2=O ZINC000013660194

ZINC000013660194 (search)

O=C(NCCCCc1ccccc1)NC[C@@H]1CC[C@@H](Cc2ccc(-c3ccccc3)cc2)O1 ZINC000061959137

ZINC000061959137 (search)

Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(O)c(Sc2ncn[nH]2)c1 ZINC000005447759

ZINC000005447759 (search)

Cc1[nH]n(-c2nc(-c3ccccc3)cc(=O)[nH]2)c(=O)c1CCO ZINC000100559583

ZINC000100559583 (search)

$N#C/C(=C\c1ccc(O)c(O)c1)C(=O)c1ccc(O)c(O)c1 ZINC000003871438$

ZINC000003871438 (search)

O=C1Nc2ccccc2/C1=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O ZINC000001029047

ZINC000001029047 (search)

Oc1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1O ZINC000001149016

ZINC000001149016 (search)

O=c1oc2ccccc2c2oc3cc(O)c(O)cc3c12 ZINC000004827176

ZINC000004827176 (search)

O=C(NC1CCCCC1)Oc1cc2oc(=O)sc2cc1Cl ZINC000000062338

ZINC000000062338 (search)

CCN(C(=O)[C@@H](C)N1C(=O)/C(=C/c2ccco2)SC1=S)[C@@H]1CCS(=O)(=O)C1 ZINC000009302700

ZINC000009302700 (search)

Cc1cc(C)cc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3Cc2cccs2)c1 ZINC000008685972

ZINC000008685972 (search)

$O=c1[nH]c(/C=C\c2ccc(O)c(O)c2)nc(O)c1[N+](=O)[O-] ZINC000009010329$

ZINC000009010329 (search)

$COc1cc(/C=C(\C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O ZINC000003872925$

ZINC000003872925 (search)

CCn1nc(C)c(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)c1C ZINC000012024496

ZINC000012024496 (search)

CCOc1cccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(Cl)c4)c3n2)c1O ZINC000096835588

ZINC000096835588 (search)

O[C@@H](c1nc2cc(F)ccc2[nH]1)[C@H](O)c1nc2ccc(F)cc2[nH]1 ZINC000015924029

ZINC000015924029 (search)

CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)cc1 ZINC000013116652

ZINC000013116652 (search)

O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1nc(-c2cccnc2)n[nH]1 ZINC000100198210

ZINC000100198210 (search)

O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 ZINC000004096845

ZINC000004096845 (search)

N[C@H](CO)C(=O)NNCc1ccc(O)c(O)c1O ZINC000003830273

ZINC000003830273 (search)

COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1 ZINC000003882897

ZINC000003882897 (search)

Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)o1 ZINC000004928005

ZINC000004928005 (search)

O=C(N/N=C/c1ccccc1O)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 ZINC000012338831

ZINC000012338831 (search)

CCn1c(C)nc2cc(C(=O)N/N=C/c3cccc(O)c3O)ccc21 ZINC000003251050

ZINC000003251050 (search)

CC(=O)Nc1cccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)c1 ZINC000008135131

ZINC000008135131 (search)

CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000002137023

ZINC000002137023 (search)

$COc1cccc(/C=N\NC(=O)C2=NNC(=O)[C@@H]2C)c1O ZINC000100371499$

ZINC000100371499 (search)

CCc1ccc(/C=N/Nc2ncnc3[nH]cnc23)cc1 ZINC000004106452

ZINC000004106452 (search)

CCOc1ccc(/C=N/NC(=O)c2[nH]ncc2Br)c(O)c1 ZINC000009704017

ZINC000009704017 (search)

Cc1ccc(-n2ncc3c(NNC(=O)c4ccco4)ncnc32)cc1C ZINC000007393259

ZINC000007393259 (search)

COc1ccccc1C1=NN(C2=NNC(=N)Cc3ncnn32)[C@](O)(C(F)(F)F)C1 ZINC000004478230

ZINC000004478230 (search)

O=C(NNc1ncnc2c1cnn2-c1ccc(F)cc1)c1ccco1 ZINC000017169643

ZINC000017169643 (search)

Cc1cccc(-n2ncc3c(NNC(=O)c4ccco4)ncnc32)c1 ZINC000007393216

ZINC000007393216 (search)

O=C(CSc1ncn[nH]1)CSc1ncn[nH]1 ZINC000013571460

ZINC000013571460 (search)

COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O ZINC000100067274

ZINC000100067274 (search)

Cc1c(C(=O)N/N=C/c2c(O)ccc3ccccc23)nnn1-c1nonc1N ZINC000003098388

ZINC000003098388 (search)

COc1ccc(C2=NN(C3=NNC(=N)Cc4ncnn43)[C@](O)(C(F)(F)F)C2)cc1 ZINC000004478226

ZINC000004478226 (search)

O=C(N/N=C/c1c(O)ccc2ccccc12)c1[nH]ncc1Br ZINC000001498352

ZINC000001498352 (search)

Cc1ccc(O)c(/C=N/NC(=O)c2[nH]ncc2Br)c1 ZINC000000256111

ZINC000000256111 (search)

O=C(N/N=C/c1ccc(O)cc1O)C(=O)N/N=C/c1ccc(O)cc1O ZINC000001684672

ZINC000001684672 (search)

O=C1Nc2ccccc2/C1=N/N=C/c1ccc(O)c(O)c1 ZINC000013638060

ZINC000013638060 (search)

O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NNC(=O)c1ccccc1O ZINC000001774909

ZINC000001774909 (search)

NS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(N)(=O)=O)ccc12 ZINC000002184288

ZINC000002184288 (search)

O=C(N/N=C/c1ccc2cccnc2c1)c1nc2ccccc2c(=O)[nH]1 ZINC000018168306

ZINC000018168306 (search)

Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)NCCC(C)C)n2n1 ZINC000004958811

ZINC000004958811 (search)

$CCC(C)(C)[C@@H]1CCc2n[nH]c(C(=O)N/N=C(\C)c3ccco3)c2C1 ZINC000013635782$

ZINC000013635782 (search)

Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)N3CCC[C@H](C)C3)n2n1 ZINC000004958817

ZINC000004958817 (search)

NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1 ZINC000002362871

ZINC000002362871 (search)

O=C(CCCCC(=O)NNC(=O)COc1ccccc1)NNC(=O)COc1ccccc1 ZINC000008396581

ZINC000008396581 (search)

O=Nc1[nH]c(=O)c(CC(=O)c2ccccc2)nc1NO ZINC000101778199

ZINC000101778199 (search)

O=C(NC(=S)NNC(=O)c1ccccc1O)c1ccc(F)cc1 ZINC000002316476

ZINC000002316476 (search)

$C[C@H]1C(=O)NN=C1C(=O)N/N=C\c1ccc(O)cc1O ZINC000100556728$

ZINC000100556728 (search)

O=c1oc2cc(O)ccc2s1 ZINC000000002181

ZINC000000002181 (search)

O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1nc2ccccc2c(=O)[nH]1 ZINC000017781925

ZINC000017781925 (search)

CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NNc1nc(C)cc(C)n1 ZINC000002369404

ZINC000002369404 (search)

C=CCn1c(O)c(N=Nc2ccccc2O)c2ccccc21 ZINC000253986279

ZINC000253986279 (search)

O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(C2CCC2)CC1 ZINC000011772522

ZINC000011772522 (search)

Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)NCCN3CCN(c4ccccc4)CC3)n2n1 ZINC000015936974

ZINC000015936974 (search)

CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)c2cc3ccccc3cc2O)c1 ZINC000009506896

ZINC000009506896 (search)

O=C(/C=C/c1cccs1)NC(=S)NNC(=O)c1ccccc1O ZINC000004950591

ZINC000004950591 (search)

CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 ZINC000023079931

ZINC000023079931 (search)

O=C(NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1O ZINC000002064480

ZINC000002064480 (search)

O=C(NN1C(=O)CSC1=S)C(=O)NN1C(=O)CSC1=S ZINC000003238237

ZINC000003238237 (search)

NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c1 ZINC000012678957

ZINC000012678957 (search)

CN1C(=O)/C(=C/C=C/c2ccco2)C(=O)NC1=S ZINC000000502270

ZINC000000502270 (search)

Cc1cc(=O)[nH]c(-n2nc3c(c2O)CCCC3)n1 ZINC000101709579

ZINC000101709579 (search)

C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H](c2ccccc2)c2ccc(OC)cc2)c1 ZINC000002810496

ZINC000002810496 (search)

O=C(NNC(=S)NCc1ccco1)c1ccccc1Br ZINC000002352306

ZINC000002352306 (search)

N=C1/C(=C/c2ccc(O)c(O)c2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 ZINC000005215476

ZINC000005215476 (search)

Cc1cccc(OCC(=O)NNC(=O)c2ccc3[nH]cnc3c2)c1 ZINC000032971038

ZINC000032971038 (search)

Cc1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1 ZINC000015924875

ZINC000015924875 (search)

CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)c1csc(N2CCOCC2)n1 ZINC000015934955

ZINC000015934955 (search)

Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc12 ZINC001772604791

ZINC001772604791 (search)

O=C1/C(=C/c2cccc(O)c2)NS(=O)(=O)c2ccccc21 ZINC000009421806

ZINC000009421806 (search)

$COc1ccccc1/C=C1\NS(=O)(=O)c2ccccc2C1=O ZINC000009421787$

ZINC000009421787 (search)

Cc1cc(=O)oc2cc(OS(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)ccc12 ZINC001772649425

ZINC001772649425 (search)

$COc1ccc(/C=C2\NS(=O)(=O)c3ccccc3C2=O)cc1 ZINC000101378879$

ZINC000101378879 (search)

O=C1/C(=C/c2ccccc2)NS(=O)(=O)c2ccccc21 ZINC000101378876

ZINC000101378876 (search)

COc1ccc(S(=O)(=O)Oc2ccc3c(C)c(Cl)c(=O)oc3c2)cc1 ZINC001772572190

ZINC001772572190 (search)

Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3cc(Cl)ccc3Cl)ccc12 ZINC001772628439

ZINC001772628439 (search)

Cc1cc(=O)oc2cc(OS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc12 ZINC001772600338

ZINC001772600338 (search)

CCCCCCCCS(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1 ZINC001772582152

ZINC001772582152 (search)

CCS(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1OS(=O)(=O)CC ZINC001772657172

ZINC001772657172 (search)

CCCCCCCCc1ccc(S(=O)(=O)Oc2ccc3c(C)cc(=O)oc3c2[N+](=O)[O-])cc1 ZINC001772614080

ZINC001772614080 (search)

CCCCCCCCS(=O)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 ZINC001772606408

ZINC001772606408 (search)

Cc1cc(=O)oc2c(OS(=O)(=O)c3cc(Cl)ccc3Cl)c(OS(=O)(=O)c3cc(Cl)ccc3Cl)ccc12 ZINC001772637122

ZINC001772637122 (search)

CCCCS(=O)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 ZINC001772598330

ZINC001772598330 (search)

Cc1c(Cl)c(=O)oc2cc(OS(C)(=O)=O)ccc12 ZINC001772583672

ZINC001772583672 (search)

COc1ccc(S(=O)(=O)Oc2ccc3c(C)c(C#N)c(=O)oc3c2)cc1 ZINC001772606409

ZINC001772606409 (search)

O=C1/C(=C/c2cccc(Cl)c2)NS(=O)(=O)c2ccccc21 ZINC000008991072

ZINC000008991072 (search)

Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc2c(C)cc(=O)oc2c1 ZINC000006314922

ZINC000006314922 (search)

Cc1c(Cl)c(=O)oc2cc(OS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc12 ZINC001772575239

ZINC001772575239 (search)

CCS(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1 ZINC001772611701

ZINC001772611701 (search)

CCS(=O)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 ZINC001772584381

ZINC001772584381 (search)

Cc1cc(=O)oc2c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc12 ZINC001772606831

ZINC001772606831 (search)

CCCc1ccc(S(=O)(=O)Oc2ccc3c(C)c(C#N)c(=O)oc3c2)cc1 ZINC001772627968

ZINC001772627968 (search)

Cc1cc(=O)oc2c([N+](=O)[O-])c(OS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc12 ZINC001772578424

ZINC001772578424 (search)

Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc12 ZINC001772627670

ZINC001772627670 (search)

Cc1c(Cl)c(=O)oc2cc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc12 ZINC001772576835

ZINC001772576835 (search)

Cc1c(Cl)c(=O)oc2cc(OS(=O)(=O)c3ccccc3)ccc12 ZINC000059445708

ZINC000059445708 (search)

CCCc1ccc(S(=O)(=O)Oc2ccc3c(C)cc(=O)oc3c2OS(=O)(=O)c2ccc(CCC)cc2)cc1 ZINC001772650880

ZINC001772650880 (search)

CCCCS(=O)(=O)Oc1ccc2c(C)c(C#N)c(=O)oc2c1 ZINC001772626567

ZINC001772626567 (search)

Cc1c(C#N)c(=O)oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc12 ZINC001772632732

ZINC001772632732 (search)