MCULE-5229530323
c1cnccc1C(=O)N/N=C/c2cc3c(cc2Cl)OCO3
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2857314443
c1cc(cc(c1)Cl)C(=O)N/N=C/c2ccc3c(c2)OCO3
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7292692911
MCULE-1850820967
c1ccc2cc(c(cc2c1)C(=O)N/N=C/c3cccc(c3)[N+](=O)[O-])O
19
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9144656895
MCULE-1485231272
c1cc2ccc(cc2nc1)/C=N/NC(=O)c3ccc(cc3)[N+](=O)[O-]
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9096819583
C[C@@H](c1ccccc1)NC(=O)/C=C/c2ccc3c(c2)OCO3
13
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2303654700
c1cc(cnc1)C(=O)N/N=C/c2ccc3c(c2)OCO3
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3209203978
MCULE-5086762103
c1cc2ccc(cc2nc1)/C=N/NC(=O)c3ccc(cc3)F
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6731901103
c1ccc2cc(c(cc2c1)C(=O)N/N=C/c3cccc(c3)O)O
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2484858584
c1ccc2cc(c(cc2c1)C(=O)N/N=C/c3ccc(c(c3)O)O)O
20
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7595827003
c1cc(ccc1C(=O)N/N=C/c2ccc3c(c2)OCO3)O
15
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6378472618
c1cc2c(cc1/C=N/NC(=O)c3ccncc3)nsn2
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9090777260
CN(C)c1ccc(cc1)/C=C/C(=O)/C=C/c2ccc3c(c2)OCO3
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6916255591
c1cc2c(cc1/C=N/NC(=O)CC#N)OCO2
13
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2530489929
c1cc2c(cc1/C=N/NC(=O)c3ccncc3)OCO2
18
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8912650418
c1ccc2cc(ccc2c1)/C=N/NC(=O)c3ccc(cc3)O
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1280479056
COc1ccc(cc1)C(=O)N/N=C/c2ccc3c(c2)OCO3
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5865742778
c1cc(cc(c1)Br)C(=O)N/N=C/c2ccc3c(c2)OCO3
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6492042371
c1cc2c(cc1/C=N/NC(=O)c3ccc(cc3O)O)OCO2
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1630691538
c1cc2c(cc1/C=N/NC(=O)c3cc(c(c(c3)O)O)O)OCO2
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9552036893
c1cc(ccc1C(=O)N/N=C/c2ccc3c(c2)OCO3)Br
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8824247797
c1cc(ccc1C(=O)N/N=C/c2ccc3c(c2)OCO3)Cl
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9452171573
c1cc2c(cc1/C=N/NC(=O)c3ccc(cc3Cl)Cl)OCO2
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2607637732
COc1ccc(cc1O)/C=N/NC(=O)c2cc3ccccc3cc2O
14
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3895695568
c1cc(ccc1C(=O)N/N=C/c2ccc3c(c2)OCO3)F
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4250421725
c1ccc(cc1)CNC(=O)[C@@H](Cc2c[nH]c3c2cccc3)[NH3+]
16
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6080724153
c1cc2c(cc1/C=N/NC(=O)c3ccc(cc3Cl)[N+](=O)[O-])OCO2
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7422612898
c1cc2c(cc1/C=N/NC(=O)c3ccc(o3)Br)OCO2
13
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8379220540
c1ccc2cc(ccc2c1)/C=N/NC(=O)c3ccc(cc3O)O
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9802140088
c1cc(cc(c1)F)C(=O)N/N=C/c2ccc3c(c2)OCO3
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3718554538
COc1cc2ccccc2cc1C(=O)N/N=C/c3ccc4c(c3)OCO4
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2592330181
C[C@@H](CCc1ccccc1)NC(=O)/C=C/c2ccc3c(c2)OCO3
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7944143190
c1ccc(cc1)CC2CCN(CC2)C(=O)/C=C/c3ccc4c(c3)OCO4
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9922559219
COc1cccc(c1)/C=N/NC(=O)c2cc3ccccc3cc2O
13
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8437838204
c1cc(ccc1C(=O)N/N=C/c2ccc3c(c2)OCO3)[N+](=O)[O-]
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8521905273
Cc1cccc2c1nc(c(c2)C(=O)N/N=C/c3ccc(c(c3)O)OC)C
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2867454566
Cc1ccc2c(c1)cc(c(n2)C)C(=O)N/N=C/c3cccc(c3)O
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6575850710
CCOc1cc(ccc1O)/C=N/NC(=O)c2cc3ccccc3nc2C
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4116406103
Cc1c(cc2ccccc2n1)C(=O)N/N=C/c3ccc(c(c3)O)OC
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2650969978
Cn1cc(ccc1=O)C(=O)N/N=C/c2ccc3c(c2)OCO3
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8123267494
CCC(=O)Nc1ccc(cc1)C(=O)N/N=C/c2ccc3c(c2)OCO3
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1211265896
c1ccc2cc(c(cc2c1)C(=O)N/N=C/c3ccc4c(c3)OCO4)O
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5358092439
Cc1ccc2c(c1)c3c([nH]2)c(=O)n(cn3)/N=C/c4ccc(c(c4)O)OC
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7135210810
COc1cc(ccc1O)/C=N/NC(=O)c2cc3ccccc3[nH]2
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8381810364
COc1ccc(cc1OC)/C=N/NC(=O)c2cc3ccccc3o2
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9740446633
c1ccc2c(c1)c3c([nH]2)c(=O)n(cn3)/N=C/c4ccc5c(c4)OCO5
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9096214905
CCOc1ccc(cc1)C(=O)N/N=C/c2ccc3c(c2)OCO3
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4098090456
c1ccc2c(c1)cc(o2)C(=O)N/N=C/c3ccc4c(c3)OCO4
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7722532078
COc1cc(ccc1O)/C=N/NC(=O)c2cc3ccccc3o2
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1004279528
c1ccc2c(c1)c(cc(n2)c3ccncc3)C(=O)N/N=C/c4ccc5c(c4)OCO5
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3475831375
c1ccc2c(c1)c(cc(n2)c3ccncc3)C(=O)N/N=C/c4cc5c(cc4Br)OCO5
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9739011709
c1ccc2c(c1)c(cc(n2)c3ccncc3)C(=O)N/N=C/c4cc5c(cc4Cl)OCO5
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8779989685
c1cc(ccc1N2CCN(CC2)C(=O)/C=C/c3ccc4c(c3)OCO4)Cl
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4477731414
COc1cc(cc(c1OC)Cl)/C=N/NC(=O)c2ccc(c(c2)Cl)Cl
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3213774388
c1cc(cc(c1)Br)C(=O)N/N=C/c2cc3c(cc2Cl)OCO3
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5365917251
c1cc(c(cc1C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)Cl)Cl
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2754806969
c1cc(sc1C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)Br
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3675113638
Cc1ccc2c(c1)cc(c(n2)C)C(=O)N/N=C/c3cc(c(c(c3)OC)OC)OC
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1238993625
Cc1cccc2c1nc(c(c2)C(=O)N/N=C/c3cc(c(c(c3)OC)OC)OC)C
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6213691554
c1ccc2c(c1)cc(o2)C(=O)N/N=C/c3cc4c(cc3Br)OCO4
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8484240740
Cc1c2cc(sc2n(n1)c3ccccc3)C(=O)N/N=C/c4ccc(c(c4)OC)OC
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7989558294
c1ccc2c(c1)c(c(s2)C(=O)N/N=C/c3ccc4c(c3)OCO4)Cl
14
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3283366669
c1ccc2cc(c(cc2c1)C(=O)N/N=C/c3cc(cs3)[N+](=O)[O-])O
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2960228479
c1cc2c(cc1/C=N/NC(=O)c3ccc(cc3O)Br)OCO2
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4928381587
COc1cc(cc(c1OC)I)/C=N/NC(=O)c2cc3ccccc3o2
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1003101795
c1cc2c(cc1/C=N/NC(=O)c3cc4cc(ccc4o3)[N+](=O)[O-])OCCO2
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9322493579
c1cc2c(cc1/C=N/NC(=O)c3c(c4ccc(cc4s3)F)Cl)OCO2
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2000540454
COc1ccc2c(c1)sc(c2Cl)C(=O)N/N=C/c3ccc4c(c3)OCO4
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5529093696
COc1ccc(cc1OC)/C=N/NC(=O)[C@@H]2CC2(c3ccccc3)c4ccccc4
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8030125073
COc1ccc(cc1O)/C=N/NC(=O)[C@@H]2CC2(c3ccccc3)c4ccccc4
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3554122290
COc1cc(ccc1O)/C=N/NC(=O)[C@@H]2CC2(c3ccccc3)c4ccccc4
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8671820447
Cc1c2cc(sc2n(n1)c3ccccc3)C(=O)N/N=C/c4cc5c(cc4Br)OCO5
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3340897585
Cn1c2c(cc(s2)C(=O)N/N=C/c3ccc4c(c3)OCO4)c(n1)C(F)(F)F
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4427297155
COc1cc(cc(c1OC)Cl)/C=N/NC(=O)c2cc3cc(ccc3o2)Br
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4679924080
MCULE-5812319074
c1ccc2cc(c(cc2c1)C(=O)N/N=C/c3ccc4c(c3)non4)O
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8914835181
MCULE-9349566553
c1cc(ccc1C(=O)N/N=C/c2ccc3c(c2)non3)C(F)(F)F
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2670416850
C[C@@H](c1ccccc1)NC(=O)c2nc(no2)c3ccc4c(c3)OCO4
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4583354441
COc1cc(ccc1O)/C=N/NC(=O)c2cc3ccccc3cc2O
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8512702336
COc1ccc(cc1OC)/C=N/NC(=O)c2cc3ccccc3cc2O
14
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8021222169
c1cc2c(cc1/C=N/NC(=O)c3cc(ccc3O)Br)OCO2
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2072508783
Cc1nc2ccc(cc2s1)/C=N/NC(=O)c3cc4ccccc4cc3O
2
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3575334249
MCULE-4090205035
c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)N/N=C/c3ccc4c(c3)nccn4)[NH3+]
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9278155765
Cc1c(cc2c(n1)n(c(=O)n(c2=O)C)C)C(=O)N/N=C/c3ccc(c(c3)OC)OC
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1652747016
CC(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)N/N=C/c3ccc(cc3)OC
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5843952693
COc1ccc(c2c1cc([nH]2)C(=O)N/N=C/c3ccc(c(c3)O)OC)OC
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9326333542
COc1ccc2cc([nH]c2c1)C(=O)N/N=C/c3cc(c(c(c3)OC)OC)OC
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5140656398
COc1ccc2c(c1)c3c([nH]2)c(=O)n(cn3)/N=C/c4ccc5c(c4)OCO5
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6453895905
COc1ccc2cc([nH]c2c1)C(=O)N/N=C/c3ccc(c(c3)O)OC
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8672610114
CCOc1ccc(cc1OC)/C=N/NC(=O)c2cc3ccc(cc3[nH]2)OC
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8616920736
Cc1ccc2c(c1)c3c([nH]2)c(=O)n(cn3)/N=C/c4ccc(c(c4)OC)OC
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5051429689
Cc1c(cc2c(n1)n(c(=O)n(c2=O)C)C)C(=O)N/N=C/c3ccc(c(c3)O)O
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6118721681
CCCOc1ccc(cc1)C(=O)N/N=C/c2ccc3c(c2)OCO3
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2496348617
COc1cc(ccc1O)/C=N/n2cnc3c4cc(ccc4[nH]c3c2=O)Cl
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8613438519
CC(C)C[C@H](C(=O)N/N=C/c1ccc2c(c1)nccn2)[NH3+]
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8373314096
COc1cc(ccc1O)/C=N/n2cnc3c4cc(ccc4[nH]c3c2=O)F
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2439538263
c1cc(ccc1N2CCN(CC2)C(=O)/C=C/c3ccc4c(c3)OCCO4)F
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5336779059
COc1cccc(c1)NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2756915249
Cc1cc(c(o1)C)C(=O)N/N=C/c2ccc3c(c2)OCCO3
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1778046313
c1cc(ccc1C(=O)NC(=O)CSc2ccc3c(c2)OCCO3)Cl
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6957915596
c1ccc2cc(c(cc2c1)C(=O)N/N=C/c3cc(sc3)[N+](=O)[O-])O
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6155876164
CC(C)Cc1cc(c2ccccc2n1)C(=O)N/N=C/c3ccc4c(c3)OCO4
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1195720348
Cc1cc(cs1)C(=O)N/N=C/c2cc3c(cc2Cl)OCO3
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9668024796
c1cc(cc(c1)Cl)C(=O)N/N=C/c2cc3c(cc2Br)OCO3
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6393479051
c1cc(ccc1C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)OC(C(F)F)(F)F
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6097944690
c1cc(ccc1C(=O)N/N=C/c2cc3c(cc2Br)OCO3)OC(F)F
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6306416804
c1ccn(c1)c2ccc(cc2)C(=O)N/N=C/c3ccc4c(c3)OCO4
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1656048620
c1ccn(c1)c2ccc(cc2)C(=O)N/N=C/c3cc4c(cc3Cl)OCO4
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6668182544
c1cc(ccc1C(=O)N2CCCC2)NC(=O)Nc3ccc4c(c3)OCO4
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1153255119
c1cc2c(cc1NC(=S)NC(=O)c3ccc(o3)c4cc(ccc4Cl)Cl)OCCO2
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5678274200
c1cc(cc(c1)Cl)c2ccc(o2)C(=O)NC(=S)Nc3ccc4c(c3)OCCO4
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7335268288
c1ccc(cc1)/C=C(/C(=O)N/N=C/c2ccc3c(c2)OCO3)\NC(=O)c4ccccc4
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9779880394
Cc1c(cc2ccccc2n1)C(=O)N/N=C/c3cc(c(c(c3)OC)OC)OC
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6833253474
c1cc(ccc1C(=O)N/N=C/c2ccc3c(c2)OCCO3)O
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9592232800
CC(=O)N[C@H](Cc1ccc(cc1)O)C(=O)N/N=C/c2ccccc2F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9058057297
COc1ccc(c(c1)OC)/C=N/NC(=O)c2cc3ccccc3cc2O
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3808505317
c1ccc2c(c1)c(c[nH]2)c3csc(n3)NC(=O)c4ccc5c(c4)OCO5
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4372986458
c1ccc2c(c1)c(=O)[nH]c(n2)C(=O)N/N=C/c3ccc(c(c3)O)O
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4686531134
c1ccc2cc(ccc2c1)SCC(=O)NC[C@H]3COc4ccccc4O3
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7072675383
c1ccc(cc1)CC2CCN(CC2)C(=O)CSc3ccc4c(c3)OCCO4
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5428529101
c1cc(cc(c1)[N+](=O)[O-])/C=N/NC(=O)c2cc3cc(ccc3oc2=O)Br
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1636638333
MCULE-4884799220
Cc1cccc(c1C)Nc2c(nc3c(n2)non3)N/N=C/c4ccc5c(c4)OCO5
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2668843590
c1ccc(cc1)N2C[C@@H](CC2=O)NC(=O)Nc3ccc4c(c3)OCO4
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8947664183
Cc1ccc(cc1C)N2C[C@@H](CC2=O)NC(=O)Nc3ccc4c(c3)OCO4
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6514163494
MCULE-4367888426
COc1cc(ccc1O)/C=N/Nc2nnnn2c3cccc4c3cccc4
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7985014171
MCULE-8021943189
c1ccc2c(c1)cccc2n3c(nnn3)N/N=C/c4ccc5c(c4)OCO5
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8675679416
MCULE-1996661593
COc1ccc(cc1OC)/C=N/Nc2nnnn2c3cccc4c3cccc4
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4477326495
Cc1cccc(c1)Nc2c(nc3c(n2)non3)N/N=C/c4ccc5c(c4)OCO5
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2082770263
COc1ccc(cc1OC)/C=N/NC(=O)c2[nH]c(=O)c3ccccc3n2
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4377305791
Cc1ccccc1Nc2c(nc3c(n2)non3)N/N=C/c4ccc5c(c4)OCO5
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5733667698
CC(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)NCCc3ccccc3
13
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1756824447
CC(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)NCCc3c[nH]c4c3cccc4
13
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9208816194
c1cc2c(cc1/C=N/NC(=O)c3ccc(cc3F)C#N)OCCO2
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6825117039
CC(C)Oc1ccc(cc1OC)/C=N/NC(=O)c2cc3cccc(c3o2)OC
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8935028982
COc1cccc2c1oc(c2)C(=O)N/N=C/c3cc(c(c(c3)OC)OC)OC
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8380381244
CCOc1cc(ccc1OC)/C=N/NC(=O)c2cc3cc(ccc3o2)Cl
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7542946932
COc1ccc(cc1)C(=O)c2cc(ccc2N3CCCCC3)[N+](=O)[O-]
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3314613601
MCULE-3413624666
COc1ccc(cc1)C(=O)N/N=C/c2ccc3c(c2)non3
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6577701921
COc1cccc2c1oc(c2)C(=O)N/N=C/c3ccc4c(c3)OCO4
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1767471377
c1cc2c(cc1/C=N/NC(=O)c3cc(cc(c3O)Cl)Cl)OCO2
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6847733773
C[C@@H](c1ccccc1)NC(=O)c2nc(no2)c3ccc(c(c3)OC)OC
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7637846736
c1cc(cc(c1)F)CNC(=O)c2nc(no2)c3ccc4c(c3)OCO4
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8328514911
c1cc2c(cc1/C=N/NC(=O)[C@H]3CCC(=O)N3)OCO2
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7521719389
c1cc(ccc1CNC(=O)c2nc(no2)c3ccc4c(c3)OCO4)F
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4302187551
C/C(=N\NC(=O)c1cc2ccccc2cc1O)/c3cc4cc(ccc4oc3=O)OC
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6884683641
CCOc1cc2c(cc1/C=N/NC(=O)c3cc4cccc(c4o3)OC)OCO2
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9795331660
COc1cccc2c1oc(c2)C(=O)N/N=C/c3ccc(c(c3)OC)O
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6770710257
CC1([C@H]([C@@H]1C(=O)N/N=C/c2ccc3c(c2)OCO3)C=C(Cl)Cl)C
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6763333986
c1ccc2c(c1)OC[C@@H](O2)CNC(=O)CSc3ccc4c(c3)OCCO4
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1345423731
c1cc(cc(c1)F)C(=O)N/N=C/c2cc3c(cc2Cl)OCO3
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3438173679
C[C@@H](CCc1ccccc1)NC(=O)CSc2ccc3c(c2)OCCO3
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5895355283
C[C@@H](c1ccc(cc1Cl)Cl)NC(=O)CSc2ccc3c(c2)OCCO3
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7877943779
c1ccc(cc1)C[C@H](C(=O)Nc2ccc3ccccc3c2)[NH3+]
14
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8519940702
Cc1ccc(cc1)CNC(=O)CSc2ccc3c(c2)OCCO3
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9929216588
c1ccc(cc1)C[C@H](C(=O)N/N=C/C2=Cc3ccccc3OC2)[NH3+]
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2438036516
COc1c(cc(cc1Cl)Cl)C(=O)N/N=C/c2ccc3c(c2)OCO3
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8254665774
COc1ccc(cc1C(=O)N/N=C/c2ccc3c(c2)OCO3)Br
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2627519101
COc1ccc(cc1OC)/C=N/n2cnc3c4cc(ccc4[nH]c3c2=O)F
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3090452637
c1ccc2cc(ccc2c1)NC(=O)[C@@H](Cc3c[nH]c4c3cccc4)[NH3+]
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9808343796
Cc1ccccc1NCC(=O)N/N=C\C=C\c2ccc3c(c2)OCO3
2
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5764200022
c1cc(ccc1C(=O)N/N=C/c2ccc3c(c2)nccn3)[N+](=O)[O-]
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4827485942
COc1ccc(cc1C(=O)N/N=C/c2ccc3c(c2)OCO3)Cl
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9804537782
c1cc2c(cc1/C=N/Nc3c4c5c(sc4ncn3)CCCC5)nccn2
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3617496070
c1cc(ccc1C(=O)N/N=C/c2ccc3c(c2)nccn3)Br
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8536164495
c1ccc(cc1)CNC(=O)CSc2ccc3c(c2)OCCO3
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3998316682
c1cc(ccc1C(=O)N/N=C/c2ccc3c(c2)OCCO3)[N+](=O)[O-]
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4296762415
Cc1ccc(cc1)NC(=O)[C@@H](Cc2c[nH]c3c2cccc3)[NH3+]
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9930761337
c1ccc2c(c1)c(cc(n2)c3ccccc3O)C(=O)N/N=C/c4ccc5c(c4)OCO5
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6671360593
C[C@@H](c1ccc(cc1)F)NC(=O)/C=C/c2ccc3c(c2)OCO3
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2394859284
c1ccc(cc1)CC2CCN(CC2)C(=O)COc3ccc4c(c3)OCO4
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1578500052
c1ccc2c(c1)nc(s2)/C=C/C(=O)NC[C@H]3COc4ccccc4O3
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8256773112
c1cc2c(cc1/C=C/C(=O)OCc3cn4cc(ccc4n3)Cl)OCO2
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6113019627
c1ccn2cc(nc2c1)COC(=O)/C=C/c3ccc4c(c3)OCO4
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6835071644
c1ccc2c(c1)c(c[nH]2)CCC(=O)NCCc3ccc4c(c3)OCCO4
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1911573199
c1ccc2c(c1)ccc3c2cc(c(=O)o3)c4nc(no4)c5ccc6c(c5)OCO6
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5690220589
CCc1ccc(cc1)[C@H](C)NC(=O)CSc2ccc3c(c2)OCCO3
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7750354138
CCOC(=O)N1CCN(CC1)C(=O)CSc2ccc3c(c2)OCCO3
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7746231788
c1cc(ccc1C(=O)NC(=O)CSc2ccc3c(c2)OCCO3)OC(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5506114155
C[C@@H](c1cc2ccccc2o1)NC(=O)CSc3ccc4c(c3)OCCCO4
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3773031278
c1cc(sc1)C(=O)NC(=O)CSc2ccc3c(c2)OCCCO3
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4306252527
C[C@@H](c1ccc(cc1Cl)Cl)NC(=O)/C=C/c2ccc3c(c2)OCO3
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1937915266
CC(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)Nc3[nH]c4ccccc4n3
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2703566589
CS(=O)(=O)N1CCCc2c1ccc(c2)C(=O)CSc3ccc4c(c3)OCCO4
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1480549796
c1cc(ccc1C(=O)CSc2ccc3c(c2)OCCCO3)N4CCCC4=O
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5292839066
c1cc(sc1)C(=O)N2CCN(CC2)C(=O)COc3ccc4c(c3)OCO4
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5890172597
C[C@@H](c1cccc(c1)Cl)NC(=O)CSc2ccc3c(c2)OCCO3
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9166271768
c1ccc2c(c1)c(cc(n2)c3ccco3)C(=O)N/N=C/c4ccc5c(c4)OCO5
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6864256921
c1ccc(cc1)n2c3c(cn2)c(=O)n(cn3)/N=C/c4ccc5c(c4)OCCO5
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4636059434
C[C@H](C(=O)Nc1nc(cs1)c2c[nH]c3c2cccc3)Oc4ccc(cc4)F
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4505674521
CC(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)NNC(=O)c3ccccc3O
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7107836880
C[C@@H](c1ccc(cc1)F)NC(=O)/C=C/c2cc3c(c(c2)Cl)OCCO3
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7564614710
c1ccc2c(c1)OC[C@@H](O2)CNC(=O)COc3ccc4c(c3)OCO4
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5583277651
c1ccc2c(c1)OC[C@@H](O2)CNC(=O)CSc3ccc4c(c3)CCC4
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2782359063
c1ccc(cc1)[C@H]2CCC[NH+]2CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9415574499
CC(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)Nc3ccc(cc3)N4CCOCC4
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1447333853
c1cc(sc1)C(=O)N2CCN(CC2)C(=O)CCC(=O)c3ccc4c(c3)OCCCO4
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5626627399
c1ccc(cc1)CC2CCN(CC2)C(=O)CSc3ccc4c(c3)OCCCO4
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5942727861
C[C@@H](c1ccccn1)NC(=O)/C=C/c2cc3c(c(c2)Cl)OCCO3
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1684838442
Cc1c(c(n2c(n1)nc(n2)N)C)CC(=O)NCCCn3ccc4c3cccc4
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6190908633
Cc1c(sc(n1)c2ccccc2)C(=O)NNC(=O)[C@@H](Cc3c[nH]c4c3cccc4)NC(=O)C
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7546104658
CC(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)NNC(=O)c3c4ccccc4c(=O)n(n3)C
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6075841071
CC(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)NNC(=O)c3ccccc3Br
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1972349612
COc1cccc2c1nc(c(c2)/C=N/NC(=O)c3[nH]c(=O)c4ccccc4n3)Cl
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4932864053
COc1ccc2c(c1)cc(c(n2)Cl)/C=N/NC(=O)c3[nH]c(=O)c4ccccc4n3
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9928034149
c1ccc2c(c1)cc(c(n2)Cl)/C=N/NC(=O)c3[nH]c(=O)c4ccccc4n3
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4557717074
CC(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)NNC(=O)c3c4ccccc4c(=O)[nH]n3
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2304964598
c1ccc2c(c1)nc(s2)[C@H]3CCC[NH+]3CC(=O)NC(=O)Nc4ccc5c(c4)OCCO5
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1702541471
CC(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)Nc3ccc(cc3)N4CCCC4
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1634314461
CC(=O)N1CCC[C@H](C1)C(=O)OCC(=O)c2ccc3c(c2)OCO3
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8100368884
Cc1cccc(c1)N2C(=O)CCC(=N2)C(=O)Nc3nc4cc5c(cc4s3)OCCO5
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3491165233
CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)Nc2nc3cc4c(cc3s2)OCCO4
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7856393720
Cc1cc(ccc1[N+](=O)[O-])OCC(=O)NC[C@H]2COc3ccccc3O2
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2766577170
CC(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)NNC(=O)c3ccc4c(c3)OCO4
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4180347901
Cc1c(c(n2c(n1)ncn2)C)CC(=O)NCCCn3ccc4c3cccc4
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5689084565
c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)NC(=O)N
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5689084565
c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)NNC(=O)[C@H]3COc4ccccc4O3)NC(=O)N
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8322542540
CC(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)NCCc3ccccn3
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1023734417
COc1cc2c(cc1OC)sc(n2)NC(=O)c3csc(n3)c4ccco4
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7924712292
c1ccc(cc1)c2c[nH]c(n2)SCC(=O)Nc3ccc4c(c3)OCCO4
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6321720109
Cc1c(c(n2c(n1)nc(n2)C(F)(F)F)C)CC(=O)NCCCn3ccc4c3cccc4
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2385094530
Cc1cc(c2cc([nH]c2c1C)C(=O)NNC(=O)c3ccc4c(c3)OCO4)C
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7551325602
CN1c2ccc(cc2CC1=O)C(=O)CSc3ccc4c(c3)OCCCO4
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6386214589
COc1ccc(cc1)C(=O)N/N=C/c2ccc3c(c2)nccn3
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2677961676
Cc1c(nc(s1)c2ccco2)C(=O)Nc3nc4cc(c(cc4s3)OC)OC
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5811018885
c1cc2c(cc1C(=O)NNC(=O)c3cc4cc(ccc4[nH]3)Br)OCCO2
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9860071601
c1cc2c(cc1/C=C/C(=O)OCc3ccc(cc3Br)F)OCCO2
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1412330707
COc1cc(cc(c1OC)OC)/C=N/Nc2c3cc(sc3ncn2)c4ccccc4
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4832048396
C/C(=N\NC(=O)c1cc2ccccc2cc1O)/c3cc4ccccc4oc3=O
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9158387858
COc1ccc(cc1OC)/C=N/NC(=O)c2cc3ccccc3cc2OC
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8558629418
C[C@@H](c1ccccc1)NC(=O)COc2ccc3c(c2)OCCO3
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2565034925
c1cc2c(cc1SCC(=O)N3CCN(CC3)C(=O)C4CC4)OCCO2
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2068713770
CN(CCc1ccc(c(c1)OC)OC)C(=O)/C=C/c2cc3c(c(c2)Cl)OCO3
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5878633319
CC(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)Nc3ccc(nc3)N4CC[NH+](CC4)C
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7524652127
C[C@@H](c1ccc(cc1)F)NC(=O)COc2ccc3c(c2)OCO3
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2405271777
COc1ccc2cc(c(nc2c1)Cl)COC(=O)/C=C/c3ccc4c(c3)OCO4
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3476416145
c1ccc(c(c1)Cn2ccnc2SCC(=O)Nc3ccc4c(c3)OCCO4)Cl
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5464014081
C[C@H](C(=O)c1ccc2c(c1)CCN2C(=O)C)OC(=O)c3cc4c(c(c3)Cl)OCCO4
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5764122450
c1cc(c(c(c1)Cl)Cl)c2ccc(o2)C(=O)NC(=S)Nc3ccc4c(c3)OCCO4
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3929675557
c1ccc2c(c1)C[C@@H](CO2)C(=O)Nc3nc(cs3)c4c[nH]c5c4cccc5
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7411960485
Cc1ccn2cc(nc2c1)C(=O)OCC(=O)c3ccc4c(c3)OCO4
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5923363592
Cc1nc(c2cc(sc2n1)c3ccccc3)N/N=C/c4ccc(c(c4)OC)OCC#N
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2554879817
CCCn1c2ccccc2nc1NC(=O)[C@@H](Cc3c[nH]c4c3cccc4)NC(=O)C
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7668386754
C/C(=N\NC(=O)c1cc2ccccc2cc1O)/c3cc4ccc(cc4oc3=O)O
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2576331604
c1ccc(cc1)C[C@H](C(=O)NNC(=O)c2ccc3c(c2)OCO3)NC(=O)N
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6527029778
CC(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)Nc3ccc(nc3)N4CCOCC4
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6953876550
COc1cc(cc2c1OCCO2)/C=C/C(=O)NC[C@H]3COc4ccccc4O3
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2900353384
c1ccc2c(c1)n(c(=O)o2)CCC(=O)NCCc3ccc4c(c3)OCO4
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4005307741
c1cc2cccnc2c(c1)/C=N/NC(=O)[C@@H](C[C@@H]3C=N[C@H]4[C@@H]3C=CC=C4)[NH3+]
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4005307741
c1cc2cccnc2c(c1)/C=N/NC(=O)[C@@H](C[C@@H]3C=N[C@@H]4[C@@H]3C=CC=C4)[NH3+]
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2094188117
c1cc2c(cc1/C=N/NC(=O)c3c(c(c(c(n3)Cl)Cl)N)Cl)OCCO2
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2726027164
C[C@@H](c1ccc2c(c1)CCCC2)NC(=O)CSc3ccc4c(c3)OCCO4
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3362787986
c1cc(cc(c1)Cl)N2CCN(CC2)C(=O)CSc3ccc4c(c3)OCCO4
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6696500468
c1ccc2c(c1)cccc2C(=O)N3CCC[C@H](C3)C(=O)Nc4ccc5c(c4)OCCO5
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6174172804
Cc1c(sc(n1)NC(=O)[C@@H](Cc2c[nH]c3c2cccc3)NC(=O)C)c4nccn4C(F)F
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4173280594
Cc1cccc2n1cc(n2)C(=O)NNC(=O)c3ccc4c(c3)OCO4
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6911682792
c1cc(cnc1)C(=O)N/N=C/c2ccc3c(c2)nccn3
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4812759792
Cc1cc(c2cc([nH]c2c1C)C(=O)NNC(=O)c3ccc4c(c3)OCCO4)C
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6175505405
c1ccc2c(c1)c(=O)[nH]c(=O)n2CCC(=O)NCCc3cc4c(c(c3)Cl)OCCO4
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2681094856
Cc1cc(c(s1)C)c2csc(n2)NC(=O)[C@@H](Cc3c[nH]c4c3cccc4)NC(=O)C
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-2347822438
CCn1c(=O)c2ccccc2nc1NNC(=O)/C=C/c3ccc4c(c3)OCO4
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3823149806
c1cc2c(cc1NC(=O)CO/N=C(/C3CCCC3)\N)OCCO2
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5857986963
c1cc2c(c(c1)NC(=O)CSc3ccc4c(c3)OCCO4)CCCC2
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-8980002621
CC(=O)N1CCN(CC1)C(=O)CCC(=O)c2ccc3c(c2)OCCO3
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3496893959
Cc1nc(c2cc(sc2n1)c3ccccc3)N/N=C/c4cc(c(c(c4)OC)OC)OC
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3671196433
Cc1nc(c2cc(sc2n1)c3ccccc3)N/N=C/c4cc(c(cc4OC)OC)OC
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4002294439
C[C@@H](c1ccc(s1)Cl)NC(=O)/C=C/c2ccc3c(c2)OCO3
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1956016182
COc1ccc(cc1)C(=O)N/N=C/c2ccc3c(c2)OCCO3
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6700918990
MCULE-2381374861
COc1ccc(cc1)CCNC(=O)[C@H]2Cc3ccccc3CN2
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4633748269
Cc1cc(c(cc1C)c2csc(n2)NC(=O)[C@@H](Cc3c[nH]c4c3cccc4)NC(=O)C)C
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9380623352
c1ccc2c(c1)c(=O)cnn2CCC(=O)NCCc3ccc4c(c3)OCO4
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9662537008
CC(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)NCCc3cc4c(c(c3)Cl)OCCO4
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5930701364
Cc1ccc2c(c1)sc(n2)NC(=O)[C@@H](Cc3c[nH]c4c3cccc4)NC(=O)C
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7809822676
CCc1ccc2c(c1)sc(n2)NC(=O)[C@@H](Cc3c[nH]c4c3cccc4)NC(=O)C
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4161914504
CC(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)Nc3nc4ccc(cc4s3)OC
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-1289974308
Cc1cc(c2c(c1)sc(n2)NC(=O)[C@@H](Cc3c[nH]c4c3cccc4)NC(=O)C)C
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9222742207
c1ccc2c(c1)nc(s2)N3CCC[C@H](C3)C(=O)NNC(=O)c4ccc5c(c4)OCO5
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-9745457047
Cc1c2ccc3ccccc3c2oc1C(=O)NCCCNc4ncccn4
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3517159514
c1ccc2cc(ccc2c1)/C=N/NC(=O)c3ccc4ccccc4n3
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5183015736
CC(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)Nc3nnc(s3)C(F)F
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-5883990201
c1ccc2c(c1)ncn2CCNC(=O)CCc3ccc4c(c3)OCO4
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-7976797101
CC(=O)N1CCC[C@H](C1)C(=O)NCC(C)(C)c2ccc3c(c2)OCO3
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3362305160
CC(=O)N1CCC[C@H](C1)C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-3824500271
CC(C)(CNC(=O)[C@@H]1CCCN(C1)C(=O)N)c2ccc3c(c2)OCO3
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-4561261946
c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3c[nH+]c4n3CCCC4)[NH3+]
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
MCULE-6877234802
c1ccc2c(c1)C[C@@H](NC2)C(=O)NCCCOc3cccnc3
6
Z
A+
A
A-
B+
B
B-
C+
C
C-