10586009
c1ccc(c(c1)C(=O)OCC(=O)N)Nc2cccc(c2)C(F)(F)F
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
3717737
CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
43470216
c1ccc(c(c1)C(=O)Nc2cccc(c2)C(F)(F)F)O
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
2199467
c1cc(cc(c1)N2CCN(CC2)C(=O)c3cccnc3)C(F)(F)F
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
43369284
c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]2CCCCNC2=O
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
15803046
c1ccc(c(c1)C(=O)[O-])NC(=O)Nc2cccc(c2)C(F)(F)F
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
3575888
c1cc(cc(c1)NC(=O)Nc2cccnc2)C(F)(F)F
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
1087027
c1cc(cc(c1)NC(=O)Nc2ccc(cc2)C(=O)[O-])C(F)(F)F
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
28290455
c1ccc(c(c1)C(=O)Nc2ccc(cc2)C(F)(F)F)O
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
1197876
CCOC(=O)C1=C(NC(=O)N[C@H]1c2ccccc2C(F)(F)F)C
15
Z
A+
A
A-
B+
B
B-
C+
C
C-
1197876
CCOC(=O)C1=C(NC(=O)N[C@@H]1c2ccccc2C(F)(F)F)C
15
Z
A+
A
A-
B+
B
B-
C+
C
C-
25857654
c1cc(cc(c1)C(F)(F)F)/C=N/c2c(c3c(s2)CCCC3)C#N
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
206972206
c1cc(ccc1/C=N/n2cnnc2)C(F)(F)F
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
566438
c1ccc(c(c1)/C=N/n2c(nnc2[S-])c3cccnc3)C(F)(F)F
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
911356
c1ccc(cc1)C(=O)Nc2cccc(c2)C(F)(F)F
32
Z
A+
A
A-
B+
B
B-
C+
C
C-
2014804
c1ccc(cc1)CC(=O)Nc2ccccc2C(F)(F)F
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
1131982
COc1ccc(cc1)CC(=O)Nc2ccccc2C(F)(F)F
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
1175252
c1cc(cnc1)C(=O)Nc2cc(ccc2Cl)C(F)(F)F
14
Z
A+
A
A-
B+
B
B-
C+
C
C-
1175246
c1cc(cc(c1)NC(=O)c2cccnc2)C(F)(F)F
17
Z
A+
A
A-
B+
B
B-
C+
C
C-
1233985
c1ccc(c(c1)C(F)(F)F)NC(=O)c2cccs2
15
Z
A+
A
A-
B+
B
B-
C+
C
C-
1171362
c1cc(cc(c1)NC(=O)c2cccs2)C(F)(F)F
18
Z
A+
A
A-
B+
B
B-
C+
C
C-
2181226
c1cc(ccc1Oc2cc(c(cc2C(=O)[O-])[N+](=O)[O-])C(=O)[O-])Cl
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
2566865
c1cc2cc(c(cc2c(c1)S(=O)(=O)N)O)C(=O)[O-]
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
2567452
c1cc2cc(c(cc2c(c1)S(=O)(=O)N3CCOCC3)O)C(=O)[O-]
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
1192366
c1cc(c(cc1C(=O)[O-])NCCC(=O)[O-])C(=O)[O-]
13
Z
A+
A
A-
B+
B
B-
C+
C
C-
478414
c1cc(c(cc1C(=O)[O-])Br)C(=O)[O-]
37
Z
A+
A
A-
B+
B
B-
C+
C
C-
5835795
c1cc(c(cc1C(=O)[O-])F)C(=O)[O-]
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
31404695
C[C@H](C(=O)[O-])NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl
16
Z
A+
A
A-
B+
B
B-
C+
C
C-
2209304
c1cc(oc1)CNS(=O)(=O)c2ccc(c(c2)C(F)(F)F)Cl
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
3562208
CC(C)CNS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
2213467
c1cc(c(cc1S(=O)(=O)N2CCCC2)C(F)(F)F)Cl
13
Z
A+
A
A-
B+
B
B-
C+
C
C-
5496841
CCN(CC)S(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
5780084
c1cc(ccc1C2=NCCO2)NC(=O)c3ccc(cc3)C(F)(F)F
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
2460898
Cc1ccccc1NS(=O)(=O)c2ccc(c(c2)C(F)(F)F)Cl
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
2209798
c1cc(c(cc1S(=O)(=O)N2CCOCC2)C(F)(F)F)Cl
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
1994385
c1cc(c(cc1S(=O)(=O)N2CCCCC2)C(F)(F)F)Cl
13
Z
A+
A
A-
B+
B
B-
C+
C
C-
2308046
c1cc(c(cc1S(=O)(=O)NC2CCCCC2)C(F)(F)F)Cl
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
2213341
c1cc(cc(c1)S(=O)(=O)[N-]c2cccnc2)C(F)(F)F
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
2860185
c1cc(cc(c1)S(=O)(=O)NCC(=O)[O-])C(F)(F)F
18
Z
A+
A
A-
B+
B
B-
C+
C
C-
2855423
c1cc(cc(c1)S(=O)(=O)NCCC(=O)[O-])C(F)(F)F
17
Z
A+
A
A-
B+
B
B-
C+
C
C-
911416
C[C@@H](C(=O)[O-])NS(=O)(=O)c1cccc(c1)C(F)(F)F
25
Z
A+
A
A-
B+
B
B-
C+
C
C-
911416
C[C@H](C(=O)[O-])NS(=O)(=O)c1cccc(c1)C(F)(F)F
25
Z
A+
A
A-
B+
B
B-
C+
C
C-
2211899
c1cc(cc(c1)S(=O)(=O)NCc2ccco2)C(F)(F)F
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
5496919
CC(C)CNS(=O)(=O)c1cccc(c1)C(F)(F)F
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
2308088
c1cc(cc(c1)S(=O)(=O)NCc2cccs2)C(F)(F)F
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
2024033
CCOc1ccc(cc1)NS(=O)(=O)c2ccccc2C(F)(F)F
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
3259102
c1ccc(c(c1)C(F)(F)F)S(=O)(=O)Nc2ccccc2Cl
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
3192747
COc1ccccc1NS(=O)(=O)c2ccccc2C(F)(F)F
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
2460776
Cc1ccc(cc1C)NS(=O)(=O)c2ccccc2C(F)(F)F
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
5492342
c1ccc(c(c1)C(F)(F)F)S(=O)(=O)N2CCCCC2
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
5496887
c1ccc(c(c1)C(F)(F)F)S(=O)(=O)N2CCCCCC2
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
5492344
CC1CCN(CC1)S(=O)(=O)c2ccccc2C(F)(F)F
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
2221165
c1ccc(c(c1)C(F)(F)F)S(=O)(=O)Nc2cccc(c2)[N+](=O)[O-]
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
3182826
c1ccc(cc1)CNS(=O)(=O)c2ccccc2C(F)(F)F
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
5496915
c1ccc(cc1)CCNS(=O)(=O)c2ccccc2C(F)(F)F
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
2460847
c1ccc(c(c1)C#N)S(=O)(=O)Nc2cccc(c2)C(F)(F)F
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
1852175
c1ccc(c(c1)C(F)(F)F)NC(=O)c2ccc(cc2Cl)[N+](=O)[O-]
14
Z
A+
A
A-
B+
B
B-
C+
C
C-
26476474
c1cc(c(cc1C(F)(F)F)/N=N/N2CCOCC2)Cl
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
26476322
c1c(cc(cc1C(F)(F)F)/N=N/N2CCOCC2)C(F)(F)F
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
5782106
c1c(cc(cc1C(F)(F)F)n2c(c(nn2)C#N)N)C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
1189389
Cc1cc(nc(n1)Sc2ccc(cc2[N+](=O)[O-])C(F)(F)F)C
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
1473137
CCCC(=O)Nc1cc(ccc1N2CCOCC2)C(F)(F)F
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
5647089
CCC(=O)Nc1cc(ccc1Oc2ccccc2)C(F)(F)F
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
5647097
CCCC(=O)Nc1cc(ccc1N2CC[NH+](CC2)C)C(F)(F)F
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
5647101
C[NH+]1CCN(CC1)c2ccc(cc2NC(=O)CCl)C(F)(F)F
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
5647135
CCOc1ccc(cc1NC(=O)CCl)C(F)(F)F
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
5647143
CCOc1ccc(cc1NC(=O)c2cccs2)C(F)(F)F
14
Z
A+
A
A-
B+
B
B-
C+
C
C-
724678
c1c(cc(cc1C(F)(F)F)C(F)(F)F)C(=[NH2+])N
20
Z
A+
A
A-
B+
B
B-
C+
C
C-
5837952
CNC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
1364085
Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)C(F)(F)F)C
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
824476
c1cc(cc(c1)NC(=O)CSc2nc(cc(n2)N)N)C(F)(F)F
14
Z
A+
A
A-
B+
B
B-
C+
C
C-
2115589
c1cc(cc(c1)NC(=O)CSC2=NCCS2)C(F)(F)F
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
1481600
c1cc(cc(c1)NC(=O)CSc2nnc(s2)N)C(F)(F)F
23
Z
A+
A
A-
B+
B
B-
C+
C
C-
5674147
CC(C)P(=S)(C(C)C)Nc1cccc(c1)C(F)(F)F
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
5828352
CC(C)(C)C(=O)NC(=O)Nc1ccccc1C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5778592
CC(C)(C)C(=O)NC(=O)Nc1cc(ccc1Cl)C(F)(F)F
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
5778815
CC(=NOC(=O)Nc1ccc(cc1)C(F)(F)F)C
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
5778841
c1ccnc(c1)/C=N/OC(=O)Nc2ccc(cc2)C(F)(F)F
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
1360815
c1ccc2c(c1)c(=O)n(c(n2)CCl)c3cccc(c3)C(F)(F)F
21
Z
A+
A
A-
B+
B
B-
C+
C
C-
5828384
c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2csc(n2)CO
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
5781031
COC(=O)c1ccc(nc1)C(=O)Nc2ccc(cc2)C(F)(F)F
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
1113323
CC(C)(C)C(=O)OCc1nc(cs1)c2ccc(cc2)C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5838477
c1cc(ccc1c2csc(n2)CO)C(F)(F)F
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
5781079
CSc1nc(nc(n1)N)c2ccc(cc2)C(F)(F)F
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
1861034
4449572
Cc1ccc2c(c1)c(cc([nH+]2)C)Nc3cccc(c3)C(F)(F)F
15
Z
A+
A
A-
B+
B
B-
C+
C
C-
5828166
CC(=O)OCC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5781302
CC(=O)OCC(=O)c1ccc(cc1)C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5828210
CC(C)(C)C(=O)OCC(=O)c1ccc(cc1)C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
518819
c1cc(ccc1C(=O)NN)C(F)(F)F
48
Z
A+
A
A-
B+
B
B-
C+
C
C-
5781903
CSc1c(c(nc(n1)c2ccc(cc2)C(F)(F)F)N)C#N
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5781705
Cn1cc(c(n1)c2nc(on2)c3ccccc3C(F)(F)F)Cl
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
25979283
c1cc(cc(c1)N/N=C(\C#N)/C(=[NH2+])N2CCCCCC2)C(F)(F)F
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
5826347
c1cc(ccc1c2nc(cs2)C(=O)NN)C(F)(F)F
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
5782040
CC(C)NC(=O)Nc1csc(n1)c2ccc(cc2)C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5837854
c1cc(ccc1C(F)(F)F)NC(=O)c2cnccc2C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5829462
Cc1ccc(cc1)n2c(nnn2)c3ccccc3C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5835445
c1ccc(c(c1)C(F)(F)F)n2c(nnn2)c3ccc(cc3)Cl
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5846581
Cc1ccc(cc1)c2nnnn2c3ccccc3C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5827517
c1ccc(c(c1)C(F)(F)F)n2c(nnn2)c3ccc(cc3)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5829512
c1ccc(c(c1)C(F)(F)F)n2c(nnn2)c3ccc(cc3F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5828608
c1ccc(c(c1)c2nnnn2c3ccccc3C(F)(F)F)Cl
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5827131
CC(C)(C)c1ccc(cc1)c2nnnn2c3ccccc3C(F)(F)F
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
5827555
c1ccc(c(c1)C(F)(F)F)NC(=O)c2cc(cc(c2)Cl)Cl
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5824497
c1cc(cc(c1)C(F)(F)F)C(=O)NNc2c(cccn2)C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5822477
c1cc(cc(c1)C(F)(F)F)C(=O)NNc2cc(ccn2)C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5822549
c1ccc(cc1)c2noc(=O)n2c3cccc(c3)C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
1958617
COC(=O)CSc1ccc(cc1[N+](=O)[O-])C(F)(F)F
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
5822553
c1ccc(cc1)n2c(noc2=O)c3cccc(c3)C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
910282
c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])SCC(=O)[O-]
22
Z
A+
A
A-
B+
B
B-
C+
C
C-
5834262
c1ccc(c(c1)C(F)(F)F)n2c(noc2=O)c3cccnc3
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5822303
c1cc(cc(c1)n2c(noc2=O)c3cccnc3)C(F)(F)F
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
624626
c1ccc(c(c1)C(F)(F)F)N2C(=O)C=CC2=O
26
Z
A+
A
A-
B+
B
B-
C+
C
C-
206928768
c1ccc(c(c1)C(F)(F)F)NC(=O)/C=C/C(=O)[O-]
19
Z
A+
A
A-
B+
B
B-
C+
C
C-
5783103
c1cc(ccc1c2nc(on2)c3ccno3)C(F)(F)F
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
1340019
c1ccc2c(c1)ccc3n2c(nn3)c4cccc(c4)C(F)(F)F
14
Z
A+
A
A-
B+
B
B-
C+
C
C-
1340023
c1ccc2c(c1)ccc3n2c(nn3)c4ccc(cc4)C(F)(F)F
14
Z
A+
A
A-
B+
B
B-
C+
C
C-
5784023
c1cc(ccc1c2nnc3n2nc(cc3)N4CCCCC4)C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5784088
c1cc(ccc1c2nnc3n2nc(cc3)NC4CC4)C(F)(F)F
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
727004
COc1ccc2nnc(n2n1)c3ccc(cc3)C(F)(F)F
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
5783793
CC(=O)C(=NNc1ccc(cc1)C(F)(F)F)C(=O)C
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5778376
Cc1cc(c(=O)[nH]n1)Cc2ccc(cc2)C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5292678
CC(C)c1ccc(cc1)NC(=S)Nc2cccc(c2)C(F)(F)F
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
5324834
c1cc(cc(c1)NC(=S)NCc2ccncc2)C(F)(F)F
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
5498826
c1ccc2c(c1)cc(sc2=O)C(=O)Nc3cccc(c3)C(F)(F)F
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
5319374
C[C@@H]1CN(C[C@H](O1)C)C(=S)Nc2cccc(c2)C(F)(F)F
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
5319374
C[C@H]1CN(C[C@@H](O1)C)C(=S)Nc2cccc(c2)C(F)(F)F
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
3545843
c1cc(cc(c1)NCc2cn3cccnc3n2)C(F)(F)F
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
1632360
CNC(=O)CN(c1cc(ccc1Cl)C(F)(F)F)S(=O)(=O)C
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
25963711
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)/C=C(\C#N)/C(=S)N
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
26480929
c1cc(ccc1/C=N/C(=C(/C#N)\N)/C#N)C(F)(F)F
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
5834192
c1c(cc(cc1C(F)(F)F)N2C(=O)CCC2=O)C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
1340031
c1cc(cc(c1)C(F)(F)F)c2nnc3n2cc(cc3)C(F)(F)F
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
5806424
CC(=O)CSc1ccc(cc1[N+](=O)[O-])C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5770118
c1cc(c(c(c1)F)C(=O)NC(=O)Nc2ccc(cc2)C(F)(F)F)F
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
722237
COc1ccc(cc1)Oc2ccc(cc2N)C(F)(F)F
16
Z
A+
A
A-
B+
B
B-
C+
C
C-
5773587
C[C@@H](C(=O)[O-])Sc1ccc(cc1[N+](=O)[O-])C(F)(F)F
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
5773587
C[C@H](C(=O)[O-])Sc1ccc(cc1[N+](=O)[O-])C(F)(F)F
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
5822880
c1ccc(c(c1)C(F)(F)F)Nc2nnc(s2)c3ccc(cc3)N
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
6768973
c1ccc2c(c1)n(c(=S)o2)CNc3cccc(c3)C(F)(F)F
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
5837307
c1ccc(c(c1)C(F)(F)F)NC(=O)N/C=C/c2ccsc2
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
26481570
Cc1ccsc1/C=C/C(=O)Nc2ccccc2C(F)(F)F
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
5845501
Cc1csc(c1Cl)NC(=O)Nc2ccc(cc2)C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
1082214
COc1ccc(c(c1)NC(=O)Nc2cccc(c2)C(F)(F)F)OC
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
5807807
c1ccc2c(c1)CC[C@H](O2)C(=O)Nc3ccc(cc3)C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5807807
c1ccc2c(c1)CC[C@@H](O2)C(=O)Nc3ccc(cc3)C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5808441
c1cc(ccc1C(F)(F)F)NC(=O)Nc2c(ccs2)Cl
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5808431
Cc1cc(sc1)C(=O)Nc2cccc(c2)C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5808483
Cc1cc(sc1)NC(=O)Nc2ccc(cc2)C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
725858
COC(=O)c1c(ccs1)Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F
18
Z
A+
A
A-
B+
B
B-
C+
C
C-
5809080
COC(=O)c1c(ccs1)Oc2ccc(cc2N)C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5809640
Cc1cc(sc1)C(=O)NNC(=O)c2ccc(cc2)C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5809120
Cc1cc(sc1)c2nc(no2)c3ccc(cc3)C(F)(F)F
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
5809182
Cc1csc(c1NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)OC
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5809997
COC(=O)c1c(ccs1)NNC(=O)c2ccc(cc2)C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
5821099
c1cc(cc(c1)S(=O)(=O)Nc2ccsc2C#N)C(F)(F)F
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
5810496
CCOc1ccsc1NC(=O)Nc2cccc(c2)C(F)(F)F
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
1337099
c1ccc2c(c1)ccc3c2NC(=O)C[C@H]3c4cccc(c4)C(F)(F)F
13
Z
A+
A
A-
B+
B
B-
C+
C
C-
1337099
c1ccc2c(c1)ccc3c2NC(=O)C[C@@H]3c4cccc(c4)C(F)(F)F
13
Z
A+
A
A-
B+
B
B-
C+
C
C-
658021
c1ccc(c(c1)C(F)(F)F)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)O4
14
Z
A+
A
A-
B+
B
B-
C+
C
C-
1279392
c1cc(cc(c1)N2CCCC2=O)C(F)(F)F
13
Z
A+
A
A-
B+
B
B-
C+
C
C-
3055698
Cc1c(sc2c1c(ncn2)Nc3cccc(c3)C(F)(F)F)C
13
Z
A+
A
A-
B+
B
B-
C+
C
C-
5820534
Cc1ccc(c2c1CCC2)Oc3ccc(cc3[N+](=O)[O-])C(F)(F)F
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
628927
c1ccc(c(c1)C(F)(F)F)NC(=S)NC(=O)c2ccco2
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
1086666
CC(=O)C(=CNc1cc(ccc1Cl)C(F)(F)F)C(=O)C
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
4897038
CC(=O)C(=NNc1cccc(c1)C(F)(F)F)C(=O)C
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
5647653
c1cc2cccc3c2c(c1)C(=N3)NC(=O)c4cccc(c4)C(F)(F)F
2
Z
A+
A
A-
B+
B
B-
C+
C
C-
2181547
c1cc(cc(c1)Oc2ccc(cc2C(F)(F)F)[N+](=O)[O-])C(=O)[O-]
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
917427
c1ccc(cc1)C(=O)NC(=S)Nc2ccc(cc2)C(F)(F)F
18
Z
A+
A
A-
B+
B
B-
C+
C
C-
628676
c1ccc(c(c1)C(F)(F)F)NC(=O)C[C@H]2C(=O)Nc3ccccc3N2
14
Z
A+
A
A-
B+
B
B-
C+
C
C-
628676
c1ccc(c(c1)C(F)(F)F)NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2
14
Z
A+
A
A-
B+
B
B-
C+
C
C-
5777378
c1cc(cc(c1)C(F)(F)F)C(=O)C=C2SCCS2
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
2123426
CC1=C(Sc2ccc(cc2N1)C(F)(F)F)C(=O)OCC(C)C
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
26818592
Cc1ccccc1C2=N/C(=C/c3ccc(cc3)C(F)(F)F)/C(=O)O2
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
529938
c1cc(c(cc1C(=O)[O-])[N+](=O)[O-])C(=O)[O-]
34
Z
A+
A
A-
B+
B
B-
C+
C
C-
906455
c1cc(cc(c1)C(F)(F)F)C(c2cccc(c2)C(F)(F)F)O
15
Z
A+
A
A-
B+
B
B-
C+
C
C-
2720767
c1cc(ccc1C(=O)Nc2ccc(cc2)OC(F)(F)F)C(F)(F)F
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
2762668
C[C@H]1CN=C(S1)Nc2ccccc2C(F)(F)F
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
2762668
C[C@@H]1CN=C(S1)Nc2ccccc2C(F)(F)F
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
538514
c1ccc(c(c1)C(=O)[O-])Nc2cccc(c2)C(F)(F)F
44
Z
A+
A
A-
B+
B
B-
C+
C
C-
6772609
c1cc(ccc1C=O)Oc2ccc(cc2C(F)(F)F)[N+](=O)[O-]
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
2121805
c1cc(cc(c1)C(F)(F)F)C2=CC(=O)C=CC2=O
2
Z
A+
A
A-
B+
B
B-
C+
C
C-
11246537
5783902
CC1=[N+](c2cc(ccc2C1(C)C)C(F)(F)F)C
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
6773120
COc1ccccc1COc2ccc(cc2[N+](=O)[O-])C(F)(F)F
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
6773122
COc1cccc(c1)COc2ccc(cc2[N+](=O)[O-])C(F)(F)F
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
1974528
c1cc(cc(c1)NCc2cc(ccc2O)Br)C(F)(F)F
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
6773628
c1cc(cnc1)Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
4864200
c1ccc(cc1)Sc2ccc(cc2[N+](=O)[O-])C(F)(F)F
13
Z
A+
A
A-
B+
B
B-
C+
C
C-
6773640
c1cc(cc(c1)N2C(=S)NC3(N2)CCCCC3)C(F)(F)F
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
2937704
Cc1c(sc2c1c(ncn2)Oc3cccc(c3)C(F)(F)F)C
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
906444
c1cc(c(c(c1)C(F)(F)F)C(=O)N)C(F)(F)F
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
6773989
Cc1nc2ccccc2c(=O)n1c3cc(ccc3Cl)C(F)(F)F
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
2722545
CCOC(=O)c1c(n(c(=S)s1)c2cccc(c2)C(F)(F)F)N
20
Z
A+
A
A-
B+
B
B-
C+
C
C-
1113788
Cc1cc2[nH]nc(n2n1)c3ccc(cc3)C(F)(F)F
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
6244422
c1cc(cc(c1)Cl)NC(=O)c2ccc(cc2)C(F)(F)F
14
Z
A+
A
A-
B+
B
B-
C+
C
C-
6775377
CCOc1ccc(cc1)NC(=O)c2ccc(cc2)C(F)(F)F
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
6775381
c1cc(cc(c1)Br)NC(=O)c2ccc(cc2)C(F)(F)F
16
Z
A+
A
A-
B+
B
B-
C+
C
C-
6775385
Cc1ccc(cc1)NC(=O)c2ccc(cc2)C(F)(F)F
14
Z
A+
A
A-
B+
B
B-
C+
C
C-
532779
c1cc(c(cc1C(=O)[O-])C(=O)[O-])C(=O)[O-]
38
Z
A+
A
A-
B+
B
B-
C+
C
C-
723266
c1cc(c(cc1C(=O)[O-])OC(F)(F)F)C(=O)[O-]
21
Z
A+
A
A-
B+
B
B-
C+
C
C-
723918
c1c(c(cc(c1Br)C(=O)[O-])Br)C(=O)[O-]
41
Z
A+
A
A-
B+
B
B-
C+
C
C-
9940267
COc1ccc(cc1NC(=O)c2cc(ccc2C(=O)[O-])C(=O)[O-])Cl
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
4406998
COc1ccc(c(c1)OC)NC(=O)c2cc(ccc2C(=O)[O-])C(=O)[O-]
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
1156666
c1ccc(cc1)C(=O)c2cc(ccc2C(=O)[O-])C(=O)[O-]
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
1156668
c1cc(ccc1C(=O)c2cc(ccc2C(=O)[O-])C(=O)[O-])[N+](=O)[O-]
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
2333661
c1ccc(cc1)c2cc(ccc2C(=O)[O-])C(=O)[O-]
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
6163542
c1cc2cc(c(cc2c(c1)S(=O)(=O)N3CCCCC3)O)C(=O)[O-]
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
2050037
c1cc(c(cc1Cl)Cl)Oc2cc(c(cc2C(=O)[O-])N)C(=O)[O-]
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
4789359
c1c(c(cc(c1C(=O)[O-])CCC(=O)[O-])C(=O)[O-])CCC(=O)[O-]
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
1204813
c1cc2c(ccc(c2c(c1)C(=O)[O-])C(=O)[O-])C(=O)[O-]
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
2054214
CC(C)OC(=O)c1cc(c(cc1C(=O)[O-])C(=O)OC(C)C)C(=O)[O-]
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
1221691
c1c(c(cc(c1N)C(=O)[O-])N)C(=O)[O-]
14
Z
A+
A
A-
B+
B
B-
C+
C
C-
2743716
Cc1nccn1C(=O)c2cc(ccc2C(=O)[O-])C(=O)[O-]
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
2743714
c1ccc(cc1)c2nccn2C(=O)c3cc(ccc3C(=O)[O-])C(=O)[O-]
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
477219
c1cc(c(cc1C(=O)[O-])N)C(=O)[O-]
36
Z
A+
A
A-
B+
B
B-
C+
C
C-
1959060
c1c(c(cc(c1Cl)C(=O)[O-])Cl)C(=O)[O-]
36
Z
A+
A
A-
B+
B
B-
C+
C
C-
2736045
c1(c(c(c(c(c1Cl)Cl)C(=O)[O-])Cl)Cl)C(=O)[O-]
28
Z
A+
A
A-
B+
B
B-
C+
C
C-
1007913
c1ccc(cc1)Nc2cc(c(cc2C(=O)[O-])Nc3ccccc3)C(=O)[O-]
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
1195067
c1cc(c(cc1Cl)Cl)Oc2cc(c(cc2C(=O)[O-])[N+](=O)[O-])C(=O)[O-]
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
5860850
Cc1c(c(c(c(c1C(=O)[O-])C)C)C(=O)[O-])C
19
Z
A+
A
A-
B+
B
B-
C+
C
C-
873225
c1cc(c(c(c1C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-]
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
2743722
c1cc(ccc1NC(=O)c2cc(ccc2C(=O)[O-])C(=O)[O-])NC(=O)c3cc(ccc3C(=O)[O-])C(=O)[O-]
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
5771496
c1ccc(c(c1)C(=O)[O-])Sc2cc(c(cc2C(=O)[O-])Sc3ccccc3C(=O)[O-])C(=O)[O-]
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
4419956
c1c(cc(c(c1C2CC2)C(=O)[O-])C3CC3)C(=O)[O-]
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
1121040
Cc1cc(c(cc1C(=O)[O-])C)C(=O)[O-]
24
Z
A+
A
A-
B+
B
B-
C+
C
C-
2567454
C=CCNS(=O)(=O)c1cccc2c1cc(c(c2)C(=O)[O-])O
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
30519318
c1cc(c(cc1C(=O)[O-])NN)C(=O)[O-]
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
1752140
c1c(cc(c(c1[N+](=O)[O-])C(=O)[O-])Br)C(=O)[O-]
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
1160336
c1cc(c(cc1C(=O)[O-])S(=O)(=O)c2cc(ccc2C(=O)[O-])C(=O)[O-])C(=O)[O-]
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
13316667
c1ccc(cc1)S(=O)(=O)c2cc(ccc2C(=O)[O-])C(=O)[O-]
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
1159518
c1cc(ccc1C(=O)[O-])S(=O)(=O)c2cc(ccc2C(=O)[O-])C(=O)[O-]
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
4405549
COc1ccccc1NC(=O)c2cc(ccc2C(=O)[O-])C(=O)[O-]
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
1197968
c1ccc2c(c1)C(=O)c3c(ccc(c3C2=O)C(=O)[O-])C(=O)[O-]
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
5479927
CCOc1ccc(cc1)NC(=O)c2cc(ccc2C(=O)[O-])C(=O)[O-]
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
727138
c1c(c(cc(c1C(=O)[O-])O)C(=O)[O-])C(=O)[O-]
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
1353118
Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)c2cc(ccc2C(=O)[O-])C(=O)[O-]
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
43540583
c1c(cc(c(c1Cl)C(=O)[O-])Cl)C(=O)[O-]
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
6173330
c1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)c3cc(ccc3C(=O)[O-])C(=O)[O-]
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
4405044
Cc1ccc(cc1C)NC(=O)c2cc(ccc2C(=O)[O-])C(=O)[O-]
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
4411682
c1cc(c(cc1C(=O)[O-])C(=O)Nc2c(c3c(s2)CCCC3)C#N)C(=O)[O-]
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
1166215
Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)c3cc(ccc3C(=O)[O-])C(=O)[O-]
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
4416311
c1cc(c(cc1C(=O)[O-])C(=O)c2cc(ccc2Cl)Cl)C(=O)[O-]
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
2130239
Cc1cc(c(c(c1)[N+](=O)[O-])NC(=O)c2cc(ccc2C(=O)[O-])C(=O)[O-])C
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
4421629
CC(=O)c1cc(c(cc1C(=O)[O-])C(=O)C)C(=O)[O-]
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
1166747
c1(c(c(c(c(c1Cl)C(=O)[O-])C(=O)[O-])Cl)C(=O)[O-])C(=O)[O-]
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
13316618
c1c(c2c(c(cc(c2C(=O)[O-])Cl)C(=O)[O-])c(c1Cl)C(=O)[O-])C(=O)[O-]
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
1160246
c1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)Oc3cc(ccc3C(=O)[O-])C(=O)[O-]
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
1438660
CCN(CC)S(=O)(=O)c1cccc2c1cc(c(c2)C(=O)[O-])O
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
9952141
Cc1c(sc(c1C#N)NC(=O)c2cc(ccc2C(=O)[O-])C(=O)[O-])C
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
1194969
c1c(c(cc(c1[N+](=O)[O-])C(=O)[O-])Oc2cc(c(cc2Cl)Cl)Cl)C(=O)[O-]
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
2334682
c1ccc(cc1)CC(=O)Nc2cc(c(cc2C(=O)[O-])NC(=O)Cc3ccccc3)C(=O)[O-]
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
17650500
c1cc(c(cc1C(=O)[O-])n2cnnn2)C(=O)[O-]
19
Z
A+
A
A-
B+
B
B-
C+
C
C-
486440
c1cc(ccc1C(=O)[O-])C(=O)[O-]
35
Z
A+
A
A-
B+
B
B-
C+
C
C-
5771957
c1ccc(c(c1)C(=O)[O-])[S@@](=O)c2cc(c(cc2C(=O)[O-])[S@](=O)c3ccccc3C(=O)[O-])C(=O)[O-]
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
2050437
CC(=C)C(=O)OCCOC(=O)c1cc(c(cc1C(=O)[O-])C(=O)OCCOC(=O)C(=C)C)C(=O)[O-]
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
5771957
c1ccc(c(c1)C(=O)[O-])[S@](=O)c2cc(c(cc2C(=O)[O-])[S@@](=O)c3ccccc3C(=O)[O-])C(=O)[O-]
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
23269628
c1ccn(c1)c2cc(ccc2C(=O)[O-])C(=O)[O-]
20
Z
A+
A
A-
B+
B
B-
C+
C
C-
5771957
c1ccc(c(c1)C(=O)[O-])[S@@](=O)c2cc(c(cc2C(=O)[O-])[S@@](=O)c3ccccc3C(=O)[O-])C(=O)[O-]
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
1958833
c1c(c(cc(c1C(=O)O)C(=O)[O-])C(=O)[O-])C(=O)c2cc(c(cc2C(=O)[O-])C(=O)[O-])C(=O)[O-]
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
2334634
Cc1ccc(cc1)S(=O)(=O)Nc2cc(c(cc2C(=O)[O-])[N-]S(=O)(=O)c3ccc(cc3)C)C(=O)[O-]
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
25879491
c1c(c(cc(c1/C=C/C(=O)[O-])C(=O)[O-])/C=C/C(=O)[O-])C(=O)[O-]
9
Z
A+
A
A-
B+
B
B-
C+
C
C-