2 Cl^O=C(O)C2=CN(c1nc(c(F)cc1C2=O)N3CCC(N)C3)c4ccc(F)cc4~   -0.735
3 Cl^O=C(O)C2=CN(c1nc(c(F)cc1C2=O)N3CCC(N)C3)c4ccccn4~   -1.433
4 Cl^NC1CCN(C1)c2nc3c(cc2F)C(=O)C(=CN3C4CC4)C(=O)O~   -1.376
5 Cl^NC1CCN(C1)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4cccs4~   -0.506
6 Cl^NC1CCN(C1)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4ccno4~   -1.418
7 Cl^Cc1cc(on1)N2C=C(C(=O)O)C(=O)c3cc(F)c(nc23)N4CCC(N)C4~   -0.191
8 Cl^NC1CCN(C1)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4nncs4~   -1.165
9 Cl^Cn4nccc4N1C=C(C(=O)O)C(=O)c2cc(F)c(nc12)N3CCC(N)C3~   -1.429
10 Cl^NC1CCN(C1)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4nccs4~   -1.410
12 Cl^NC1CCN(C1)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4ncc(C)s4~    0.175
13 Cl^NC1CCN(C1)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4nc(C)c(C)s4~    0.350
14 Cl^NC1CCN(C1)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4nc(cs4)C(C)(C)C~   -0.310
15 Cl^NC1CCN(C1)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4nc(cs4)c5ccccc5~    0.939
16 Cl^NC1CCN(C1)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4ncc(Cl)s4~    0.639
17 Cl^NC1CCN(C1)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4ncc(Br)s4~    0.728
18 Cl^NC1CCN(C1)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4ncc(OC)s4~    0.064
19 Cl^NC1CCN(C1)c2nc5c(cc2F)C(=O)C(=CN5c3nc4ccccc4s3)C(=O)O~    0.939
20 Cl^NC1CCN(C1)c3ncc4C(=O)C(=CN(c2nccs2)c4n3)C(=O)O~    0.882
21 Cl^NC1CCN(C1)c2nc3N(N=C(C(=O)c3cc2F)C(=O)O)c4nccs4~   -1.424
22 Cl^NC1CCN(C1)c2cc3N(C=C(C(=O)c3cn2)C(=O)O)c4nccs4~   -0.447
23 Cl^NC1CCN(C1)c2cc3N(C=C(C(=O)c3cc2F)C(=O)O)c4nccs4~   -1.427
24 Cl^NC1CCN(C1)c3c(F)cc4C(=O)C(=CN(c2nccs2)c4c3F)C(=O)O~   -2.147
25 Cl^O=C(O)C2=CN(c1nccs1)c3nc(NCCN)c(F)cc3C2=O~   -1.457
26 Cl^O=C(O)C3=CN(c1nccs1)c4nc(N2CCCC2)c(F)cc4C3=O~    1.019
27 Cl^O[C@@H]1CCN(C1)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4nccs4~    0.763
28 Cl^O[C@H]1CCN(C1)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4nccs4~    1.275
29 Cl^N[C@@H]1CCN(C1)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4nccs4~    1.371
31 Cl^CN(C)C1CCN(C1)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4nccs4~    0.850
32 Cl^CC1(N)CCN(C1)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4nccs4~    1.175
33 Cl^C[C@H]1CN(C[C@@H]1N)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4nccs4~    1.550
34 Cl^C[C@@H]1CN(C[C@@H]1N)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4nccs4~    0.835
35 Cl^N[C@H]1CN(C[C@@H]1O)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4nccs4~   -0.728
36 Cl^N[C@@H]1CN(C[C@H]1OC)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4nccs4~    0.775
37 Cl^N[C@H]1CN(C[C@@H]1OC)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4nccs4~    1.246
38 Cl^N[C@H]1CN(C[C@H]1OC)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4nccs4~    0.684
40 Cl^OC[C@@]1(N)CCN(C1)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4nccs4~    0.684
41 Cl^O=C(O)C4=CN(c1nccs1)c5nc(N2C[C@@H]3NCCO[C@H]3C2)c(F)cc5C4=O~   -0.379
42 Cl^O=C(O)C4=CN(c1nccs1)c5nc(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc5C4=O~    0.136
43 Cl^CN2CC=C1CN(CC12)c3nc4N(C=C(C(=O)c4cc3F)C(=O)O)c5nccs5~    1.037
44 Cl^N[C@H]1C=CC[C@H]2CN(C[C@@H]12)c3nc4N(C=C(C(=O)c4cc3F)C(=O)O)c5nccs5~    0.455
45 Cl^NCC1CCN(C1)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4nccs4~    0.586
46 Cl^NC[C@H]1CN(C[C@H]1Cl)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4nccs4~    0.434
48 Cl^NC1CCN(CC1)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4nccs4~   -0.622
49 Cl^COc1ccccc1N2CCN(CC2)c3nc4N(C=C(C(=O)c4cc3F)C(=O)O)c5nccs5~   -0.317
50 Cl^NCC1CN(CCO1)c2nc3N(C=C(C(=O)c3cc2F)C(=O)O)c4nccs4~   -0.630
51 Cl^O=C(O)C3=CN(c2nc(N1CCSCC1)c(F)cc2C3=O)c4nccs4~   -0.647
52 Cl^O=C(O)C3=CN(c1nccs1)c4nc(n2ccnc2)c(F)cc4C3=O~   -1.447
53 Cl^O=C(O)C2=CN(c1nccs1)c3nc(SCCN)c(F)cc3C2=O~   -1.436
54 Cl^O=C(O)C2=CN(c1nccs1)c3nc(O)c(F)cc3C2=O~   -1.512
55 Cl^NC1CCN(C1)c3ccc4C(=O)C(=CN(c2nccs2)c4n3)C(=O)O~    1.553
56 Cl^[O-][N+](=O)c3cc4C(=O)C(=CN(c1nccs1)c4nc3N2CCC(N)C2)C(=O)O~   -0.755
57 Cl^NC1CCN(C1)c2nc3N(C=C(C(=O)c3cc2N)C(=O)O)c4nccs4~   -0.433
58 Cl^NC1CCN(C1)c2nc3N(C=C(C(=O)c3cc2O)C(=O)O)c4nccs4~   -1.062
61 Cl^FC(F)(F)c1cc(nc2N(C=C(C(=O)c12)C(=O)O)c3nccs3)N4CCC(N)C4~    0.637
62 Cl^NC1CCN(C1)c3cc(N)c4C(=O)C(=CN(c2nccs2)c4n3)C(=O)O~    1.661
63 Cl^CNC1CCN(C1)c3ccc4C(=O)C(=CN(c2nccs2)c4n3)C(=O)O~    1.570
64 Cl^CC1(N)CCN(C1)c3ccc4C(=O)C(=CN(c2nccs2)c4n3)C(=O)O~    1.291
66 Cl^C[C@H]1CN(C[C@@H]1N)c3ccc4C(=O)C(=CN(c2nccs2)c4n3)C(=O)O~    1.588
67 Cl^C[C@H]1CN(C[C@@H]1NC)c3ccc4C(=O)C(=CN(c2nccs2)c4n3)C(=O)O~    1.507
68 Cl^ClC[C@H]1CN(C[C@@H]1N)c3ccc4C(=O)C(=CN(c2nccs2)c4n3)C(=O)O~    1.228
69 Cl^CC1CC(N)CN1c3ccc4C(=O)C(=CN(c2nccs2)c4n3)C(=O)O~    0.528
72 Cl^O=C(O)C2=CN(c1nccs1)c3nc(ccc3C2=O)N4C[C@@H]5CCCN[C@@H]5C4~    1.369
73 Cl^N[C@H]1CN(C[C@@H]1OC)c3ccc4C(=O)C(=CN(c2nccs2)c4n3)C(=O)O~    1.333
76 Cl^CCN[C@H]1CN(C[C@@H]1OC)c3ccc4C(=O)C(=CN(c2nccs2)c4n3)C(=O)O~    1.220
78 Cl^CN[C@H]1CN(C[C@@H]1OC)c3ccc4C(=O)C(=CN(c2nccs2)c4n3)C(=O)O~    1.303
81 Cl^C[C@H]1CN(C[C@@H](C)N1)c3ccc4C(=O)C(=CN(c2nccs2)c4n3)C(=O)O~    0.678
82 Cl^COc1ccccc1N2CCN(CC2)c4ccc5C(=O)C(=CN(c3nccs3)c5n4)C(=O)O~   -0.334
83 Cl^CNC1CCCN(C1)c3ccc4C(=O)C(=CN(c2nccs2)c4n3)C(=O)O~   -0.130
84 Cl^O=C(O)C2=CN(c1nccs1)c3nc(ccc3C2=O)N4Cc5ccccc5CC4~   -1.393
85 Cl^O=C(O)C2=CN(c1nccs1)c3nc(ccc3C2=O)N4CCOCC4~    0.475
86 Cl^O=C(O)C2=CN(c1nccs1)c3nc(ccc3C2=O)c4ccccc4~   -1.258
87 Cl^Cc1cc(cc(C)n1)c3ccc4C(=O)C(=CN(c2nccs2)c4n3)C(=O)O~   -1.287
88 Cl^O=C(O)C2=CN(c1nccs1)c3nc(C=C)ccc3C2=O~   -0.524
90 Cl^O=C(O)C2=CN(c1nccs1)c3nc(ccc3C2=O)c4ccnn4~   -1.107
91 NC1CCN(C1)c2nc3N(C=C(C(=O)c3cc2F)C(=O)OCC)c4nccs4~    0.472
92 NC1CCN(C1)c2nc3N(C=CC(=O)c3cc2F)c4nccs4~    0.277
93 NC1CCN(C1)c3nc4N(C=C(Cc2ccccc2)C(=O)c4cc3F)c5nccs5~    0.769
95 NC1CCN(C1)c2nc3N(C=C(C(=O)c3cc2F)C(N)=O)c4nccs4~    0.144
96 NC1CCN(C1)c2nc3N(C=C(O)C(=O)c3cc2F)c4nccs4~    0.316
97 CN[C@H]1CN(C[C@@H]1OC)c3ccc4C(=O)C(=CN(c2nccs2)c4n3)C=O~    1.096
98 CN[C@H]1CN(C[C@@H]1OC)c3ccc4C(=O)C(=CN(c2nccs2)c4n3)CO~    0.847
99 CN[C@H]1CN(C[C@@H]1OC)c3ccc4C(=O)C(=CN(c2nccs2)c4n3)C(C)=O~    0.829
100 CN[C@H]1CN(C[C@@H]1OC)c3ccc4C(=O)C(=CN(c2nccs2)c4n3)C\C=C/C(=O)OC~    0.682
