APEX1

Reference Set (84 Compounds)

$COCC/C(=C\C1=C(Br)C(=O)c2ccccc2C1=O)C(=O)O ZINC000045258133$

ZINC000045258133 (search)

$C/C(=C\C1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)NCCO ZINC000045258137$

ZINC000045258137 (search)

$C/C(=C\C1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)O ZINC000045261794$

ZINC000045261794 (search)

$CSC1=C(/C=C(\C)C(=O)O)C(=O)c2ccccc2C1=O ZINC000045284976$

ZINC000045284976 (search)

$COC1=C(/C=C(\C)C(=O)O)C(=O)c2ccccc2C1=O ZINC000045300936$

ZINC000045300936 (search)

C/C(=C/C1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)O ZINC000045261797

ZINC000045261797 (search)

$C/C(=C\C1=C(Br)C(=O)c2ccccc2C1=O)C(=O)O ZINC000045261800$

ZINC000045261800 (search)

$COCC/C(=C\C1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)O ZINC000045261819$

ZINC000045261819 (search)

$C/C(=C\C1=CC(=O)c2ccccc2C1=O)C(=O)O ZINC000045285729$

ZINC000045285729 (search)

$COC1=C(OC)C(=O)C(/C=C(\C)C(=O)O)=C(Cl)C1=O ZINC000049695349$

ZINC000049695349 (search)

$COC1=C(OC)C(=O)C(/C=C(\C)C(=O)O)=C(C)C1=O ZINC000049695454$

ZINC000049695454 (search)

$C/C(=C\C1=C(F)C(=O)c2ccccc2C1=O)C(=O)O ZINC000045257654$

ZINC000045257654 (search)

O=C(O)CCC1=C(Br)C(=O)c2ccccc2C1=O ZINC000045254417

ZINC000045254417 (search)

$COCC/C(=C\C1=C(C)C(=O)c2ccccc2C1=O)C(=O)O ZINC000045261817$

ZINC000045261817 (search)

$COCC/C(=C\C1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)O ZINC000049709892$

ZINC000049709892 (search)

$CCCCCCCCC/C(=C\C1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)NCCO ZINC000049722991$

ZINC000049722991 (search)

Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000001650576

ZINC000001650576 (search)

$CCCCCCCCC/C(=C\C1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)O ZINC000014252145$

ZINC000014252145 (search)

O=C(O)C1=CC(=C(c2ccc(O)c(C(=O)O)c2)c2ccc(O)c(C(=O)O)c2)C=CC1=O ZINC000003833863

ZINC000003833863 (search)

c1cc2ccc3cc2cc1CNCCOCCNCc1ccc2ccc(cc2c1)CNCCOCCNC3 ZINC000098209118

ZINC000098209118 (search)

N[C@@H](Cc1cc(O)c(O)cc1O)C(=O)O ZINC000002012718

ZINC000002012718 (search)

Brc1cc(-c2cc(Br)c(Br)c(Br)c2)cc(Br)c1Br ZINC000095681896

ZINC000095681896 (search)

CC(=O)Nc1ccc(/C=C/c2ccc(N=C=S)c(S(=O)(=O)O)c2)c(S(=O)(=O)O)c1 ZINC000001590501

ZINC000001590501 (search)

Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccc(S(=O)(=O)O)cc4)n3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O ZINC000008035172

ZINC000008035172 (search)

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

ZINC000003871438 (search)

O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12 ZINC000003874317

ZINC000003874317 (search)

COc1cc2c(ccc3cc(OC)c(OC)c(O)c32)cc1O ZINC000001612340

ZINC000001612340 (search)

O=c1oc2c(cc1O)oc(=O)c1cc(O)c(O)c(O)c12 ZINC000013152238

ZINC000013152238 (search)

CN(N=O)c1ccc(O)c(O)c1 ZINC000003870870

ZINC000003870870 (search)

CC(C)(C)c1ccc(OC(=O)c2sc3ccccc3c2Cl)c(C(C)(C)C)c1 ZINC000003126462

ZINC000003126462 (search)

Cc1sc(Nc2cc(Cl)cc(Cl)c2)nc1-c1ccc(-c2ccccc2F)cc1 ZINC000034171225

ZINC000034171225 (search)

C=C/C(C)=C/[C@@]1(C)SC(=O)C(C)C1=O ZINC000004099011

ZINC000004099011 (search)

CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CNC2 ZINC000036381546

ZINC000036381546 (search)

Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(-c2ccccc2F)cc1 ZINC000003045888

ZINC000003045888 (search)

$C=C1S/C(=N\c2ccccc2Cl)N(C(=O)c2sc3ccccc3c2Cl)C12CCCCC2 ZINC000001569237$

ZINC000001569237 (search)

Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)cc1S(N)(=O)=O ZINC000003953917

ZINC000003953917 (search)

Cc1cc(C)c2c(N)c3cccc(C)c3nc2n1 ZINC000000075835

ZINC000000075835 (search)

O=c1oc(-c2ccccc2F)nc2cc(Cl)ccc12 ZINC000000099931

ZINC000000099931 (search)

O=C(Nc1cccc(Cl)c1)c1noc2c1CCC2 ZINC000000426286

ZINC000000426286 (search)

Cc1ccc(C)n1-c1ccc(OCC(=O)O)cc1 ZINC000000267005

ZINC000000267005 (search)

CC1=C/C(=C(/c2ccc(O)c(C)c2)c2ccccc2C(=O)O)C=CC1=O ZINC000012671061

ZINC000012671061 (search)

O=S(=O)(Oc1ccc(-c2ccc(OS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000008626645

ZINC000008626645 (search)

O=c1oc(-c2ccc(Cl)cc2Cl)nc2ccc([N+](=O)[O-])cc12 ZINC000000097157

ZINC000000097157 (search)

O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 ZINC000003794794

ZINC000003794794 (search)

CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2 ZINC000013878730

ZINC000013878730 (search)

O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/C=C/c1ccco1 ZINC000000507690

ZINC000000507690 (search)

Cc1cc(N/N=C/c2ccc3c(c2)OCO3)c2cc3c(cc2n1)OCO3 ZINC000005552546

ZINC000005552546 (search)

CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2 ZINC000036381380

ZINC000036381380 (search)

CC(=O)Nc1sc2c(c1-c1nc(-c3ccccc3)cs1)CCN(C(C)C)C2 ZINC000036381384

ZINC000036381384 (search)

O=C(CSc1nc2ccccc2s1)CSc1nc2ccccc2s1 ZINC000001029672

ZINC000001029672 (search)

O=C(OCC(=O)N1NC(c2ccc3ccccc3c2)=C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000003277194

ZINC000003277194 (search)

O=C(O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000000156165

ZINC000000156165 (search)

$O=C(O)CN1C(=O)/C(=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)c2ccccc21 ZINC000001811469$

ZINC000001811469 (search)

CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CN(C(C)C)C2 ZINC000036381549

ZINC000036381549 (search)

CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C)C2 ZINC000036381381

ZINC000036381381 (search)

O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2)C(F)F ZINC000036381550

ZINC000036381550 (search)

O=C(CSc1ncn[nH]1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000004977184

ZINC000004977184 (search)

O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1CC(=O)O ZINC000000094779

ZINC000000094779 (search)

O=C(O)Cn1c(CCCCc2nc3ccccc3n2CC(=O)O)nc2ccccc21 ZINC000004535247

ZINC000004535247 (search)

O=C(O)Cc1cc(S(=O)(=O)c2ccc(Sc3ccc(C(=O)O)cc3)cc2)ccc1C(=O)O ZINC000040862806

ZINC000040862806 (search)

CCn1c2ccccc2c2cc(/C=N/Nc3cc(C)nc4cc5c(cc34)OCO5)ccc21 ZINC000005392935

ZINC000005392935 (search)

$C/C(=N\Nc1cc(C)nc2cc3c(cc12)OCO3)c1cn(C)n(-c2ccccc2)c1=O ZINC000017127094$

ZINC000017127094 (search)

Cc1oc(CSCCSCc2cc(C(=O)O)c(C)o2)cc1C(=O)O ZINC000002276490

ZINC000002276490 (search)

CC(C)N1CCc2c(sc(NC(=O)C(F)F)c2-c2nc3ccccc3s2)C1 ZINC000036381554

ZINC000036381554 (search)

O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2)C1CC1 ZINC000084672255

ZINC000084672255 (search)

$O=C(O)CN1C(=O)/C(=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 ZINC000001011313$

ZINC000001011313 (search)

O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)SC1=S ZINC000001811552

ZINC000001811552 (search)

$O=C(O)CN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)SC1=S ZINC000002915127$

ZINC000002915127 (search)

O=C(O)c1ccc(S(=O)(=O)c2ccc(Sc3ccc(C(=O)O)c(C(=O)O)c3)cc2)cc1 ZINC000003185216

ZINC000003185216 (search)

Cc1oc(C)c(C(=O)O)c1COc1ccccc1C(=O)O ZINC000004713641

ZINC000004713641 (search)

Cc1cc(CSCc2cc(C(=O)O)c(C)o2)oc1C(=O)O ZINC000040392035

ZINC000040392035 (search)

CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(c4ccc(C(=O)O)cc4)N=C3C)o2)ccc1Cl ZINC000008781052

ZINC000008781052 (search)

Cc1c(C(=O)OC[C@@H]2CCCO2)[nH]c2c1C(=O)C[C@@H](c1ccco1)C2 ZINC000004101487

ZINC000004101487 (search)

Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1/N=N/c1ccc([N+](=O)[O-])cc1S(=O)(=O)O ZINC000004705988

ZINC000004705988 (search)

O=C(c1ccc2c(c1)C(=O)N(c1ccccc1C(=O)O)C2=O)c1ccc2c(c1)C(=O)N(c1ccccc1C(=O)O)C2=O ZINC000003142780

ZINC000003142780 (search)

C[C@H](Oc1cc(O[C@@H](C)C(=O)O)c2c(c1)oc(=O)c1ccccc12)C(=O)O ZINC000004025276

ZINC000004025276 (search)

CC(C)N1CCc2c(sc(NC(=O)C3CCCCC3)c2-c2nc3ccccc3s2)C1 ZINC000017113384

ZINC000017113384 (search)

$CCCCCCCCC/C(=C\C1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)NOC ZINC000169701147$

ZINC000169701147 (search)

Nc1ccc(/N=N/c2c(N)ccc3cc(S(=O)(=O)O)cc(O)c23)c(S(=O)(=O)O)c1 ZINC000005488280

ZINC000005488280 (search)

O=C(O)CCc1ccc(-c2ccc(F)cc2)n1CC(=O)O ZINC000000094777

ZINC000000094777 (search)

O=C(O)CCc1ccc(-c2cccs2)n1CC(=O)O ZINC000000094783

ZINC000000094783 (search)

$O=C(O)CN1C(=O)/C(=C2\SC(=S)NC2=O)c2ccccc21 ZINC000001202867$

ZINC000001202867 (search)

CCCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2 ZINC000036381385

ZINC000036381385 (search)

O=C(O)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(C(=O)O)c(C(=O)O)c3)cc2)cc1 ZINC000002371739

ZINC000002371739 (search)