TS22377
C[C@@]1(C(=O)C=C(O1)C(=O)[O-])c2ccccc2
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS58028
c1ccc(cc1)C(c2ccccc2)[S@](=O)CC(=O)NO
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS54876
TS62750
CC(C)[NH2+]C[C@H](COc1ccccc1CC=C)O
14
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS59140
Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)[C@H](C)[NH+](C)C
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS46637
TS35517
TS10144
c1ccc(cc1)[C@@H](C(=O)[O-])O
61
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS78001
CC(C)(C)[NH2+]C[C@H](COc1ccccc1NC(=O)c2ccco2)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS50113
COc1cc(c(c2c1OCO2)OC)CC=C
19
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS63285
C[NH+]1CCN2c3ccccc3Cn4cccc4[C@@H]2C1
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS66521
TS64283
COc1cccc2c1cc(c3c2c4c(cc3C(=O)[O-])OCO4)[N+](=O)[O-]
17
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS14546
TS72017
TS63390
CC(=O)Oc1ccccc1C(=O)[O-]
47
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS58031
TS84561
TS75362
TS63367
C[NH+]1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3
40
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS78564
C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3)[O-]
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS44405
TS28000
c1cc(ccc1[C@@H](CC(=O)[O-])C[NH3+])Cl
51
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS63495
TS58186
CC(C)[NH2+]C[C@H](COc1cccc2c1oc(c2)C(=O)C)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS78283
CC(=O)O[C@H](c1ccc(c(c1)Cl)Cl)C(Cl)(Cl)Cl
2
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS73683
TS25090
c1ccc(cc1)C(=O)O[C@@H]2C[NH+]3CCC2CC3
18
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS44178
TS21321
c1ccc(cc1)[C@@H](C(=O)c2ccccc2)O
43
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS26856
c1ccc(cc1)COC(=O)[C@H](c2ccccc2)O
18
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS53775
C[C@@H](C[N+](C)(C)C)OC(=O)N
22
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS74431
TS66144
C[C@H](Cc1cc(c(cc1OC)Br)OC)[NH3+]
2
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS70216
C[NH+](C)CC[C@@H](c1ccc(cc1)Br)c2ccccn2
30
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS23693
CCOc1ccc(cc1)NC(=O)C[C@@H](C)O
13
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS60505
Cc1ccc(c2c1ccc(=O)o2)OC[C@@H](C[NH2+]C(C)(C)C)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS77450
CC(C)(C)[NH2+]C[C@H](COc1ccccc1OC[C@@H]2CCCO2)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS68519
TS55986
CCc1cccc2c1oc(c2)[C@@H](C[NH2+]C(C)(C)C)O
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS66455
C[NH+]1CCc2cc3c(c-4c2[C@@H]1Cc5c4c(c(cc5)OC)O)OCO3
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS62604
TS54793
CC(C)(C)[NH2+]C[C@H](COc1ccccc1C#N)O
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS74175
Cc1ccc(c(c1)OC[C@H](C[NH2+]C(C)(C)C)O)Cl
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS26540
CC[C@@H](c1ccc(cc1)c2ccccc2)C(=O)[O-]
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS60942
CCCC(=O)c1cc(ccc1OC[C@@H](C[NH2+]C(C)(C)C)O)F
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS34540
CCN(C[C@@H](C)O)c1ccc(nn1)NNC(=O)OCC
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS35346
C[NH+](C)CCO[C@@H](c1ccc(cc1)Cl)c2ccccn2
25
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS63569
TS58309
CC(C)(C)[NH2+]C[C@H](COc1cccc2c1CCC(=O)N2)O
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS60884
CC(C)(C)[NH2+]C[C@H](COc1ccccc1OCC(=O)NC)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS78989
c1cscc1[C@@H](C2CCCCC2)C(=O)OCC[NH+]3CCCCCC3
2
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS33531
CN1[C@@H](S(=O)(=O)CCC1=O)c2ccc(cc2)Cl
26
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS38350
c1cc(ccc1OC[C@@H](CO)O)Cl
31
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS27374
c1cc(ccc1OC[C@@H](COC(=O)N)O)Cl
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS59233
C[C@@](c1ccccc1)(c2ccc(cc2)Cl)OCC[NH+](C)C
17
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS21729
C[C@H]1C[C@H](CC(C1)(C)C)OC(=O)[C@@H](C)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS80367
TS59754
c1ccc(cc1)C2(C[C@@H]2C3=[NH+]CCN3)c4ccccc4
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS35555
CC(C)(C)C(=O)[C@@H](n1ccnc1)Oc2ccc(cc2)Cl
20
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS67784
C[C@H](C[NH+](C)C)[C@@](C)(Cc1ccc(cc1)Cl)O
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS61677
C[C@H]1[C@H]2CC[C@H](C2)[C@H]1CN(CCO)C(=O)c3ccc(cc3)Cl
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS35494
CC(C)(C)[NH2+]C[C@@H](COc1cc(ccc1Cl)Cl)O
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS68198
c1ccc2c(c1)cc(o2)[C@@H](c3ccc(cc3)Cl)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS62811
TS44414
CC(C)[NH2+]C[C@H](c1ccccc1Cl)O
27
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS33830
C[C@@H]1C[C@H](CC(C1)(C)C)OC(=O)[C@@H](c2ccccc2)O
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS77708
TS35409
C[NH+](C)CCOC(=O)[C@H](c1ccccc1)C2(CCCC2)O
22
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS60732
CC(C)[NH2+]C[C@H](COc1ccc(cc1C(=O)C)NC(=O)C)O
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS57614
CC[NH+](CC)[C@@H](C)C(=O)c1ccccc1
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS14377
CC(=O)Nc1ccc(cc1)C(=O)[O-]
50
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS24355
C[NH2+]C[C@H](c1cc(c(c(c1)OC)O)OC)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS39381
TS74037
C[C@](c1ccccc1)(c2ccccn2)OCC[NH+](C)C
23
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS54651
CC(C)[NH2+]C[C@H](CC(c1ccccc1)c2ccccc2)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS31154
Cc1cccc(c1NC(=O)[C@@H]2CCCC[NH+]2CCO)C
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS64146
CC[NH+]1CCC[C@@H]1CNC(=O)C(c2ccccc2)(c3ccccc3)O
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS78349
CC(C)(C)[NH2+]C[C@H](COc1cc(ccc1C2=CC(=O)CC2)Cl)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS16813
TS58570
CC(C)[NH2+]C[C@H](COc1ccc(cc1)CCC(=O)OC)O
22
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS50329
CCN(CC)C(=O)c1ccc(c(c1)OC)O
23
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS20197
CC[C@@H](c1ccccc1)C(=O)NC(=O)N
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS31163
CCC[NH+](CC)[C@@H](CC)C(=O)Nc1c(cccc1C)C
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS77706
TS35406
C[C@@H]1C[C@@H](CC([NH+]1C)(C)C)OC(=O)[C@@H](c2ccccc2)O
2
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS35427
CC(C)[NH2+]C[C@H](COc1ccccc1C2CCCCC2)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS37793
c1cc(ccc1C[C@H](C(=O)[O-])[NH3+])Cl
65
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS73673
TS53176
CC[NH2+][C@@H](C)Cc1cccc(c1)C(F)(F)F
16
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS77263
CC(C)(C(=O)[O-])Oc1ccc(cc1)[C@@H](c2ccc(cc2)Cl)O
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS58335
C[C@@H](C(=O)[O-])Oc1ccc(cc1)Oc2ccc(cc2)Cl
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS83509
TS57698
C[C@@H](c1cccc(c1)Oc2ccccc2)C(=O)[O-]
26
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS34202
CC[C@](c1ccccc1)(c2cccc(c2)C(F)(F)F)O
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS68487
C[C@H]1CCc2cc(cc3c2n1cc(c3=O)C(=O)[O-])F
25
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS27156
TS30256
C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)[O-]
48
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS41031
C[C@H](Cc1cccc(c1)O)[NH3+]
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS39871
CC(=C)C(=O)OC[C@@H]1CO1
28
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS39872
C[N+]1(CC[C@@H](C1)OC(=O)[C@](c2ccccc2)(C3CCCC3)O)C
16
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS52651
COc1ccccc1OC(=O)c2ccccc2
19
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS74445
COc1ccccc1OC(=O)Oc2ccccc2OC
16
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS57695
COc1ccccc1OC(=O)Cc2ccccc2
2
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS53995
COc1ccccc1OC[C@@H](CO)O
42
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS45355
CC(C)(C)CC(C)(C)NC(=[NH2+])N
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS83379
TS20374
c1ccc2c(c1)OC[C@@H](O2)CNC(=[NH2+])N
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS79331
C[NH+]1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@@H](c3ccccc3)O
36
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS79977
C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)[C@@H](c3ccccc3)O)C
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS29817
C[C@@H]1C[C@@H](CC(C1)(C)C)OC(=O)c2ccccc2O
13
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS24334
c1cc(cnc1)OC(=O)[C@@H]([C@@H](C(=O)[O-])O)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS68520
CC(C)[NH2+]C[C@H](COc1cccc2c1C=CCC2)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS17342
CC[C@H](C1(Cc2ccccc2C1)O)[NH3+]
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS62471
CC(C)[NH2+]C[C@H](COc1cccc2c1C=CC2)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS34321
C[C@@H](c1ccc(cc1)N2Cc3ccccc3C2=O)C(=O)[O-]
16
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS28920
CC(C)NC(=O)c1c([n+](on1)[O-])C(=O)NC(C)C
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS78860
Cc1cc(=O)c2c(c3ccoc3c(c2o1)OC[C@@H](C[NH2+]C(C)C)O)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS63980
CC[C@@H]([C@H](c1ccc(c(c1)O)O)O)[NH2+]C(C)C
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS54854
C[C@@H](CN1c2ccccc2Sc3c1nccc3)[NH+](C)C
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS77887
Cc1cc(on1)/C=C/c2ccccc2OC[C@@H](C[NH2+]C(C)(C)C)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS07406
CCO[C@@H](C)C(=O)C(O)O
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS58422
CCC[C@H](c1ccccc1OCC[NH+](C(C)C)C(C)C)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS63539
TS79748
C[C@H](CCc1ccccc1)[NH2+]C[C@H](c2ccc(c(c2)C(=O)N)O)O
32
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS20737
CCOc1ccc(cc1)NC(=O)[C@@H](C)O
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS64343
CC(C)(C)c1ccc(cc1)CC[C@@H](COc2ccc(cc2)C(=O)[O-])O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS43980
c1cc(ccc1C(=O)OC[C@@H](CO)O)N
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS77278
c1ccc(c(c1)C2=N[C@H](C(=O)Nc3c2cc(cc3)Cl)O)Cl
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS61458
Cc1c(cccc1O[C@H](C)C(=O)[O-])C(=O)c2ccc(cc2)Cl
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS73753
TS59788
C[C@@H](c1ccc(cc1)C[C@H]2CCCC2=O)C(=O)[O-]
33
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS54787
c1ccc2c(c1)C3=[NH+]CCN3[C@]2(c4ccc(cc4)Cl)O
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS29205
COc1ccc(c2c1cccc2)C(=O)CCC(=O)[O-]
18
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS33733
C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)c2ccccc2N)C(C)C
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS81673
C[N+]1(CCC[C@@H](C1)OC(=O)C(c2ccccc2)(c3ccccc3)O)C
16
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS22424
TS22422
CC[C@]1(C(=O)N(C(=O)N1)C)c2ccccc2
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS27495
TS54591
Cc1cccc(c1NC(=O)[C@H]2CCCC[NH+]2C)C
39
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS44415
C[C@@H](C(=O)c1ccccc1)[NH+](C)C
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS72907
TS21145
CC(C)[NH2+]C[C@H](c1cc(cc(c1)O)O)O
15
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS02085
Cc1cc(cc(c1)OC[C@H]2CNC(=O)O2)C
30
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS21951
C[C@@H](Cc1ccccc1OC)[NH2+]C
17
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS10129
COC(=O)c1ccccc1O
45
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS60822
Cc1cc(c(c(c1OC(=O)C)C)C)OC[C@@H](C[NH2+]C(C)C)O
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS74466
Cc1[nH]c2c(n1)n(c(=O)n(c2=O)C)C[C@@H]3CCC=CC3
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS26847
Cc1ccc(cc1)C(=O)c2ccc(cc2O)OC
32
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS74655
C[NH+]1CCN2c3ccccc3Cc4ccccc4[C@@H]2C1
27
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS34485
CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c2ccccc2
16
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS67588
TS35338
COc1ccc(c(c1)[C@@H](CNC(=O)C[NH3+])O)OC
17
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS26382
CC(C)[NH2+]C[C@H](COc1ccccc1OC)O
16
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS68395
C[C@H]1CC(=O)NN=C1c2cc(cs2)n3ccnc3
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS76417
CC(C)(C(=O)[O-])Oc1ccc(cc1)[C@@H]2CCCc3c2cccc3
2
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS77087
CC(C)(C)[NH2+]C[C@H](COc1ccc(c2c1C3CCC2CC3)O)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS35255
CC(C)[C@@H](c1ccc(cc1)Cl)OC(=O)c2cccnc2
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS50488
CC(C)[NH2+]C[C@H](c1ccc(cc1)[N+](=O)[O-])O
13
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS34835
CSC[C@@H]1CN(C(=O)O1)/N=C/c2ccc(o2)[N+](=O)[O-]
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS26164
C[C@@H]1CN(C(=O)N1)/N=C/c2ccc(o2)[N+](=O)[O-]
2
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS19766
TS38601
CC[C@]1(C(=O)NC(=O)N1)c2ccccc2
27
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS11693
C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)NC3=O
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS16254
TS41283
c1cc(ccc1[C@@H](C[NH3+])O)O
38
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS51796
c1cc2c(cc1[C@@H](C(=[NH2+])N)O)OCO2
2
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS74465
Cc1cc(c(cc1Cc2cnc(nc2N)N)OC)OC
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS49678
Cc1ncc(n1C[C@@H](CCl)O)[N+](=O)[O-]
45
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS82605
TS60536
Cc1ccccc1[C@@H](c2ccccc2)OCC[NH+](C)C
23
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS85149
CC(=CCc1c(ccc2c1oc(=O)cc2)OC)C
38
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS72253
C[N+]1(CCCCC1)C[C@H]2CO[C@@](O2)(c3ccccc3)C4CCCCC4
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS54977
c1ccc(cc1)C2=N[C@H](C(=O)Nc3c2cc(cc3)Cl)O
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS77893
C[C@@H](CN1c2ccccc2S(=O)(=O)c3c1cccc3)C[NH+](C)C
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS60885
CC(C)[NH2+]C[C@H](COc1ccc(cc1)CCNC(=O)OC)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS29226
C[C@@H](c1ccc(cc1)/C=C/2\CCCCC2=O)C(=O)[O-]
2
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS13810
c1ccc(cc1)[C@H]2C(=O)N=C(O2)N
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS69743
CC[C@@H](C)[C@@H](c1ccccc1)C(=O)OC2CC[N+](CC2)(C)C
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS54857
C[C@H]1[C@H]2Cc3ccc(cc3[C@@]1(CC[NH+]2CC=C(C)C)C)O
2
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS78213
C[C@H]1CCC[NH+](C1)CCCC(=O)c2c(cc(cc2OC)OC)OC
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS14397
CCOc1ccc(cc1)NC(=O)C
37
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS26566
TS79342
C[NH+](C)CC[C@@H](c1ccccc1)c2ccccn2
22
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS46315
C[C@@H]1[C@H](OCC[NH2+]1)c2ccccc2
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS42944
C[C@@H](Cc1ccc(cc1)O)[NH2+]C
16
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS30772
C[C@H](CN(C)c1ccc(nn1)NN)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS25140
C1CC[NH+](CC1)C[C@H]2CCCCC2=O
17
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS81384
C[NH+]1CCC(=C2c3ccccc3Sc4c2cccc4)CC1
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS53503
c1ccc2c(c1)OC[C@@H](O2)C[NH+]3CCCCC3
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS73654
C[C@@H]1C[C@@H](CC(C1)(C)C)OC(=O)CN2CCCC2=O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS58987
Cc1cc2c(c(c1)OC(=O)C)C3=C(CC[C@@H](C3)C)C(O2)(C)C
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS58849
Cc1cc(n(c(=O)c1)[O-])C[C@@H](C)CC(C)(C)C
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS30311
CC(C)[NH2+]C[C@H](COc1ccc(cc1)NC(=O)C)O
21
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS77456
CC(C)[N+](C)(C)C[C@H](COc1cccc2c1cccc2)O
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS67721
C[C@@H](c1ccc2c(c1)Cc3cccnc3O2)C(=O)[O-]
17
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS00254
c1ccc2c(c1)CCN3[C@H]2CN(CC3=O)C(=O)C4CCCCC4
33
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS52688
CN(C)C1=[NH+]C[C@@H](C1)c2cc3ccccc3o2
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS77950
CC(C)(C)[NH2+]C[C@H](COc1ccccc1c2ccc(nn2)NN)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS30224
TS52878
CC(C)[NH2+]C[C@H](c1ccc2ccccc2c1)O
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS77648
CC(C)(C)c1cc(c2ccccc2n1)[C@@H](CCC3CC[NH2+]CC3)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS61694
c1cc2c(cc1O)CC[N+]3=C2CC[C@@H]4[C@@H]3CCC4
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS77799
CCO[P@](=S)(c1ccccc1)Oc2cccc3c2nccc3
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS51999
C[C@](Cc1ccc(cc1)O)(C(=O)[O-])[NH3+]
29
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS65259
C[C@H](CCc1ccc(cc1)O)[NH2+]C[C@H](c2ccc(cc2)O)O
21
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS54447
CCOC(=O)c1ccc(cc1)N(C[C@@H](C)O)C[C@@H](C)O
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS63770
TS79863
C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)OCO6
16
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS15439
Cc1ncc(n1C[C@@H](C)O)[N+](=O)[O-]
31
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS64498
CC(C)(C)[NH2+]C[C@H](COc1cccc2c1CC3(C2=O)CCCCC3)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS25569
CC(C)(C)[C@H](/C=C/c1ccc2c(c1)OCO2)O
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS77690
C[NH+]1CCC[C@@H]1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N
2
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS38512
TS43231
TS83006
C[NH2+]C[C@H](c1ccc(cc1)O)O
59
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS22100
CC(C)[NH2+]C[C@H](COc1nccs1)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS14432
C[C@H](Cc1ccc2c(c1)OCO2)[NH3+]
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS78700
CC(C)(C)c1ccc(cc1)OC[C@@H](COc2ccc(cc2)C(=O)[O-])O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS52193
CC(C)(C)[NH2+]C[C@@H](c1cc(cc(c1)O)O)O
17
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS01960
c1c(ccc(c1)/C=N/[C@@H]2C(=O)NOC2)/C=N/[C@H]3C(=O)NOC3
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS35821
CC(C)(C)[NH2+]C[C@H](COc1cccc2c1SCCC2)O
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS89248
CC(C)C[C@@H]1C[NH+]2CCc3cc(c(cc3[C@H]2CC1=O)OC)OC
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS77947
CC(=C[C@@H]1[C@H](C1(C)C)C(=O)OCN2C(=O)C3=C(C2=O)CCCC3)C
17
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS12082
CNc1c2c([nH+]n1C)CCCC2
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS39181
c1cc(cnc1)C(=O)OC[C@@H]2CCCO2
2
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS70431
C[N+]1(CCOCC1)CC[C@](c2ccccc2)(c3cccs3)O
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS69272
C[N+]1(C[C@@H](CC(=C(c2cccs2)c3cccs3)C1)OC)C
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS77828
CC(C)(C(=O)N1CSC[C@@H]1C(=O)[O-])Oc2ccc(cc2)Cl
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS28812
CC(C)[NH2+]C[C@H](COc1ccccc1SC)O
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS73670
CC[C@]1(CNC(=S)c2c1cccc2)c3ccccc3
Only
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS43852
CN(C)c1nc(nc(n1)N(C)C)N(C)C
31
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS01350
CC(C)[NH2+]C[C@H](COc1ccc(cc1)CC(=O)N)O
55
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS36935
CC(=O)Nc1ccccc1
47
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS78564
C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)[C@@H](CO)c3ccccc3)[O-]
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS36464
TS31769
c1ccc(cc1)CO
38
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS46838
TS81092
TS08747
C1C2CC3CC1CC(C2)(C3)[NH3+]
69
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS01372
C[NH+]1[C@@H]2CC[C@H]1CC(C2)OC(c3ccccc3)c4ccccc4
28
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS33197
C(CCC(=O)[O-])CC[NH3+]
58
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS27589
c1nc2c(=O)[nH]c(nc2n1COCCO)N
61
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS65181
CC(C)[NH2+]C[C@@H](COc1ccc(cc1)CCOCC2CC2)O
30
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS65181
CC(C)[NH2+]C[C@H](COc1ccc(cc1)CCOCC2CC2)O
23
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS77559
CC(C)[NH2+]C[C@@H](COc1ccc(cc1)COCCOC(C)C)O
34
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS77559
CC(C)[NH2+]C[C@H](COc1ccc(cc1)COCCOC(C)C)O
34
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS80435
TS25251
CC[C@]1(CCC(=O)NC1=O)c2ccc(cc2)N
34
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS25251
TS80434
CC[C@@]1(CCC(=O)NC1=O)c2ccc(cc2)N
34
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS60660
TS25545
TS74865
TS13519
TS21033
TS77292
C(C[C@@H](C(=O)[O-])[NH3+])CNC(=[NH2+])N
70
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS39821
TS05987
TS04673
C[N+](C)(C)CC(=O)[O-]
40
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS43913
TS13520
TS24626
C(C[C@H](C(=O)[O-])[NH3+])CNC(=[NH2+])N
57
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS66876
TS81333
CC(C)(C)[NH2+]C[C@@H](CSc1nc(cs1)c2ccc(s2)C(=O)N)O
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS64593
CC[NH+](CC)CCOC(=O)C(c1ccccc1)c2ccccc2
33
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS66552
CC[NH+](CC)CCOC(=O)C(c1ccccc1)(c2ccccc2)O
15
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS66876
TS81333
CC(C)(C)[NH2+]C[C@H](CSc1nc(cs1)c2ccc(s2)C(=O)N)O
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS58045
C[NH+](C)CCCOC1(CCCCCC1)Cc2ccccc2
2
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS24287
C=CCOc1ccc(cc1Cl)CC(=O)[O-]
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS55717
CC(=O)N[C@@H](CS)C(=O)[O-]
54
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS64642
Cc1ccc(cc1)/C(=C\C[NH+]2CCCC2)/c3cccc(n3)/C=C/C(=O)[O-]
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS29477
Cc1cc(c(c(c1/C=C/C(=C/C=C/C(=C/C(=O)[O-])/C)/C)C)C)OC
19
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS80823
COc1cc(ccc1Nc2c3ccccc3[nH+]c4c2cccc4)[N-]S(=O)(=O)C
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS27138
TS23485
CC(=O)Nc1nnc(s1)S(=O)(=O)N
37
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS66119
CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)[O-])O)O
23
Z
A+
A
A-
B+
B
B-
C+
C
C-
TS48548
TS38953
CCC1(C(=O)NC(=O)NC1=O)CC
14
Z
A+
A
A-
B+
B
B-
C+
C
C-