FAIRMol

Docking results

Sortable table and score distributions for docking results. The default view collapses poses to one best pose per ligand so decisions start from compounds, not pose duplicates.

DB SELECTION
Ligand priority Target report Viewer Experiments Reverse docking
623 ligands default: one best pose per compound ★ Native available
L. major PTR1 · T05
L. major PDB 7PXX
Protein: Pteridine reductase 1
Overall assessment for L. major PTR1
Promising A large fraction of ligands carry geometry or contact-quality warnings, so this target needs more caution.
Open target report
0Strong
25Promising
407Weak
191Reject
623/623SASA ready
Good signs: Low conformational strain (7.8 kcal/mol) · Excellent LE (-1.201 kcal/mol/HA) · Good fit quality (FQ -10.24)
Watch-outs: No H-bonds detected · Geometry warnings · High strain energy (27.8 kcal/mol)
# Compound Alt poses Score ▲ Final rank Inter norm H-bonds Contacts Jaccard Contact recall HB recall HB role recall Assessment ↕
1 Z29084306
T05
 0 -25.217 -0.5212 -1.3281 10 10 0.35 0.41 0.43 0.50 Promising
2 ulfkktlib_3042
T05
 0 -29.922 -0.5208 -2.5283 12 8 0.39 0.41 0.71 0.67 Weak
3 OHD_TB2021_42
T05
 0 -28.652 -0.4915 -1.3840 10 12 0.53 0.59 0.43 0.33 Weak
4 Z871871932
T05
 0 -28.253 -0.3311 -2.3581 8 7 0.33 0.35 0.43 0.33 Weak
5 Z57820547
T05
 0 -29.756 -0.3170 -1.2818 10 14 0.63 0.71 0.71 0.67 Promising
6 OHD_TC1_156
T05
 2
3 total
 -27.366 -0.2188 -1.4037 5 14 0.55 0.65 0.29 0.33 Promising
7 Z49890534
T05
 0 -26.622 -0.1986 -1.3879 6 9 0.44 0.47 0.43 0.50 Weak
8 ulfkktlib_1417
T05
 0 -32.880 -0.1527 -2.5049 16 10 0.42 0.47 0.57 0.50 Reject
9 NMT-TY0428
T05
 0 -26.563 -0.1463 -1.4488 6 9 0.37 0.41 0.14 0.33 Weak
10 NMT-TY0414
T05
 1
2 total
 -26.586 0.0231 -1.4071 6 10 0.42 0.47 0.14 0.33 Weak
11 OHD_TB2023_23
T05
 0 -31.545 0.0289 -1.4099 6 14 0.63 0.71 0.29 0.33 Weak
12 OHD_TB2020_21
T05
 0 -26.373 0.0780 -1.7552 7 13 0.58 0.65 0.71 0.67 Weak
13 TC357
T05
 0 -27.812 0.1141 -1.5225 5 13 0.50 0.59 0.43 0.50 Reject
14 Z56766912
T05
 0 -23.814 0.1157 -1.4666 5 13 0.58 0.65 0.29 0.17 Weak
15 Z49890670
T05
 0 -24.277 0.1313 -1.3228 6 9 0.44 0.47 0.43 0.50 Weak
16 NMT-TY0409
T05
 0 -27.506 0.1577 -1.3932 8 14 0.63 0.71 0.29 0.17 Weak
17 Z1546616194
T05
 0 -27.989 0.1715 -1.4768 11 13 0.50 0.59 0.43 0.50 Reject
18 Z685651930
T05
 0 -32.171 0.1728 -1.5179 7 12 0.53 0.59 0.29 0.50 Weak
19 Z275164792
T05
 0 -29.286 0.1796 -1.4679 8 10 0.50 0.53 0.57 0.50 Weak
20 NMT-TY0921
T05
 0 -29.694 0.2019 -1.2171 9 14 0.63 0.71 0.29 0.33 Weak
21 KB_chagas_8
T05
 0 -25.978 0.2304 -1.1180 6 11 0.47 0.53 0.57 0.50 Weak
22 NMT-TY0611
T05
 0 -25.870 0.2345 -1.0567 9 15 0.60 0.71 0.29 0.33 Weak
23 NMT-TY0919
T05
 0 -34.444 0.2889 -1.1736 9 14 0.63 0.71 0.29 0.33 Weak
24 ulfkktlib_1300
T05
 1
2 total
 -30.124 0.2918 -1.1611 5 15 0.68 0.76 0.29 0.33 Weak
25 ulfkktlib_3208
T05
 0 -26.028 0.2943 -1.7692 9 8 0.39 0.41 0.57 0.67 Weak
26 OHD_TB2020_58
T05
 0 -27.900 0.2963 -1.3267 5 12 0.53 0.59 0.43 0.50 Weak
27 Z31191559
T05
 0 -28.166 0.2972 -1.4178 2 16 0.50 0.65 0.14 0.17 Weak
28 OHD_Leishmania_273
T05
 0 -27.392 0.2999 -1.4851 4 14 0.63 0.71 0.43 0.50 Weak
29 Z226979504
T05
 0 -30.415 0.3109 -1.1422 4 13 0.58 0.65 0.29 0.33 Weak
30 OHD_ACDS_47
T05
 0 -21.573 0.3338 -0.8905 3 17 0.62 0.76 0.29 0.33 Weak
31 OHD_TB2020_60
T05
 0 -27.331 0.3482 -1.2658 8 13 0.58 0.65 0.43 0.50 Weak
32 Z31243469
T05
 0 -29.636 0.3549 -1.2588 4 8 0.39 0.41 0.29 0.33 Weak
33 OHD_TC1_151
T05
 0 -30.401 0.3761 -1.0325 11 12 0.61 0.65 0.29 0.33 Weak
34 OHD_MV-42
T05
 0 -27.926 0.4102 -1.0403 8 11 0.33 0.41 0.29 0.33 Reject
35 ulfkktlib_1719
T05
 0 -27.864 0.4472 -1.6379 6 13 0.50 0.59 0.00 0.17 Weak
36 OHD_TC1_150
T05
 0 -27.915 0.4524 -1.0792 11 14 0.63 0.71 0.29 0.33 Weak
37 OHD_TC1_171
T05
 0 -25.789 0.4538 -1.2208 9 13 0.50 0.59 0.29 0.33 Weak
38 Z16379965
T05
 0 -26.905 0.4557 -1.1035 3 16 0.74 0.82 0.14 0.17 Weak
39 Z57337956
T05
 0 -30.559 0.4788 -1.6252 4 12 0.53 0.59 0.29 0.33 Weak
40 NMT-TY0431
T05
 0 -26.281 0.4942 -1.3324 7 10 0.42 0.47 0.29 0.50 Weak
41 ulfkktlib_1731
T05
 0 -28.463 0.5135 -2.0189 7 10 0.59 0.59 0.57 0.50 Weak
42 NMT-TY0153
T05
 0 -27.868 0.5540 -1.8575 11 11 0.65 0.65 0.43 0.50 Promising
43 OHD_MV-37
T05
 0 -28.123 0.5554 -1.0456 9 11 0.33 0.41 0.29 0.33 Reject
44 OHD_MV-39
T05
 0 -27.709 0.5673 -1.0336 8 11 0.33 0.41 0.29 0.33 Reject
45 OHD_MV-41
T05
 0 -27.516 0.5706 -1.0311 9 11 0.33 0.41 0.29 0.33 Reject
46 Z57387493
T05
 0 -29.607 0.5774 -1.1604 4 13 0.50 0.59 0.43 0.50 Weak
47 Z57213638
T05
 0 -27.088 0.5853 -1.0454 6 13 0.58 0.65 0.43 0.50 Reject
48 NMT-TY0778
T05
 0 -25.813 0.6102 -1.5019 7 15 0.52 0.65 0.00 0.17 Reject
49 OHD_TC1_152
T05
 0 -30.226 0.6112 -1.0532 10 12 0.61 0.65 0.29 0.33 Weak
50 ulfkktlib_1352
T05
 0 -21.783 0.6210 -1.1619 9 14 0.55 0.65 0.43 0.50 Reject
51 Z1222343478
T05
 0 -28.916 0.6229 -1.3591 10 10 0.50 0.53 0.71 0.67 Reject
52 NMT-TY0775
T05
 0 -27.102 0.6442 -1.3294 10 14 0.48 0.59 0.29 0.50 Reject
53 TC230
T05
 0 -24.590 0.6445 -1.0365 9 9 0.44 0.47 0.71 0.67 Reject
54 ulfkktlib_1525
T05
 1
2 total
 -26.590 0.6480 -0.9078 7 14 0.55 0.65 0.43 0.50 Weak
55 Z49890540
T05
 0 -30.587 0.6503 -1.2029 7 11 0.56 0.59 0.43 0.50 Weak
56 Z50086561
T05
 0 -29.677 0.6525 -1.2943 9 11 0.40 0.47 0.43 0.50 Reject
57 KB_Leish_92
T05
 0 -30.263 0.6750 -1.1167 6 15 0.52 0.65 0.43 0.50 Reject
58 ulfkktlib_1973
T05
 0 -21.642 0.6833 -1.6462 10 14 0.55 0.65 0.43 0.50 Reject
59 Z2940609369
T05
 0 -22.745 0.6898 -1.3996 9 14 0.55 0.65 0.29 0.17 Reject
60 Z27116094
T05
 0 -30.942 0.6991 -0.8793 5 11 0.47 0.53 0.43 0.50 Weak
61 Z56759163
T05
 0 -29.158 0.7133 -1.4018 5 6 0.28 0.29 0.14 0.17 Reject
62 OHD_TB2021_16
T05
 2
3 total
 -30.920 0.7172 -1.4551 5 15 0.60 0.71 0.29 0.33 Promising
63 Z56891526
T05
 0 -22.163 0.7189 -1.5370 8 9 0.53 0.53 0.29 0.33 Weak
64 Z56754371
T05
 0 -30.697 0.7249 -2.0666 6 13 0.58 0.65 0.57 0.50 Weak
65 NMT-TY0605
T05
 0 -28.698 0.7264 -1.1061 11 14 0.48 0.59 0.43 0.50 Reject
66 Z1741976658
T05
 0 -25.374 0.7288 -1.7914 12 9 0.53 0.53 0.57 0.50 Weak
67 Z49605089
T05
 0 -26.639 0.7303 -0.9672 7 14 0.82 0.82 0.57 0.67 Reject
68 ulfkktlib_1784
T05
 0 -28.974 0.7696 -1.7928 4 10 0.42 0.47 0.14 0.17 Weak
69 Z44831560
T05
 0 -27.302 0.7715 -1.1064 10 11 0.56 0.59 0.43 0.50 Weak
70 Z56869443
T05
 0 -30.401 0.7772 -1.5005 6 10 0.59 0.59 0.43 0.50 Weak
71 NMT-TY0623
T05
 0 -28.607 0.7836 -0.9661 8 17 0.70 0.82 0.29 0.33 Weak
72 ulfkktlib_1541
T05
 0 -29.012 0.8004 -1.1313 5 13 0.58 0.65 0.43 0.50 Weak
73 KB_chagas_164
T05
 0 -34.176 0.8007 -1.4599 8 15 0.68 0.76 0.71 0.67 Reject
74 NMT-TY0937
T05
 0 -26.848 0.8074 -1.2818 9 12 0.53 0.59 0.57 0.67 Reject
75 Z56833421
T05
 0 -29.071 0.8356 -1.2587 12 14 0.55 0.65 0.29 0.50 Reject
76 OHD_Leishmania_374
T05
 0 -35.805 0.8872 -1.7280 9 13 0.58 0.65 0.29 0.50 Promising
77 ulfkktlib_1127
T05
 0 -27.010 0.8910 -1.2368 11 11 0.56 0.59 0.43 0.50 Reject
78 Z20224548
T05
 0 -27.625 0.8940 -0.9544 6 11 0.47 0.53 0.71 0.67 Weak
79 Z44358584
T05
 0 -27.766 0.8980 -1.1712 9 16 0.74 0.82 0.29 0.33 Reject
80 Z49615771
T05
 0 -27.925 0.8991 -1.4818 10 8 0.32 0.35 0.43 0.50 Weak
81 KB_chagas_19
T05
 0 -26.856 0.9001 -1.7037 6 14 0.72 0.76 0.71 0.67 Weak
82 Z20229397
T05
 0 -31.945 0.9024 -1.1576 4 10 0.59 0.59 0.29 0.33 Promising
83 KB_chagas_124
T05
 0 -33.776 0.9042 -1.7818 8 10 0.42 0.47 0.29 0.33 Weak
84 Z325203302
T05
 0 -29.510 0.9060 -1.2003 8 11 0.56 0.59 0.14 0.17 Reject
85 OHD_Leishmania_486
T05
 0 -29.861 0.9108 -1.6104 5 12 0.53 0.59 0.14 0.17 Weak
86 Z24132888
T05
 0 -15.198 0.9142 -0.9462 8 17 0.70 0.82 0.43 0.50 Reject
87 OHD_TB2023_21
T05
 0 -31.611 0.9165 -1.4856 6 14 0.63 0.71 0.43 0.50 Weak
88 Z56811592
T05
 0 -33.317 0.9177 -1.1842 6 13 0.76 0.76 0.57 0.50 Weak
89 KB_chagas_83
T05
 0 -23.194 0.9335 -0.9756 6 14 0.82 0.82 0.57 0.50 Reject
90 Z56831105
T05
 0 -29.750 0.9412 -1.2640 5 11 0.56 0.59 0.29 0.33 Weak
91 Z235511282
T05
 0 -26.793 0.9422 -0.9086 2 14 0.55 0.65 0.14 0.17 Weak
92 ulfkktlib_3013
T05
 0 -34.023 0.9460 -2.4588 14 7 0.33 0.35 0.71 0.67 Weak
93 Z44380292
T05
 0 -26.927 0.9529 -0.9402 5 18 0.67 0.82 0.14 0.33 Weak
94 Z19086763
T05
 0 -28.590 0.9604 -1.5163 6 13 0.50 0.59 0.29 0.33 Promising
95 KB_Leish_125
T05
 0 -23.009 0.9652 -0.8786 4 16 0.65 0.76 0.14 0.17 Reject
96 Z57108356
T05
 0 -26.698 0.9710 -1.7327 7 12 0.53 0.59 0.14 0.17 Weak
97 Z56881232
T05
 0 -30.635 0.9791 -1.7784 7 13 0.67 0.71 0.71 0.67 Promising
98 KB_Leish_33
T05
 0 -27.646 0.9839 -0.8583 6 15 0.68 0.76 0.29 0.33 Reject
99 ulfkktlib_3115
T05
 0 -34.433 1.0148 -1.9828 12 13 0.58 0.65 0.71 0.67 Weak
100 Z56946048
T05
 0 -29.158 1.0205 -1.3887 6 12 0.53 0.59 0.43 0.50 Weak
101 Z29883830
T05
 0 -25.607 1.0230 -1.0997 6 12 0.61 0.65 0.43 0.50 Weak
102 Z56950493
T05
 0 -29.543 1.0467 -1.4146 4 12 0.61 0.65 0.29 0.33 Weak
103 KB_HAT_145
T05
 0 -24.283 1.0554 -1.0915 4 16 0.74 0.82 0.29 0.50 Weak
104 MK216
T05
 0 -27.214 1.0566 -1.0587 11 11 0.40 0.47 0.43 0.33 Reject
105 KB_Leish_3
T05
 0 -24.005 1.0570 -1.1052 8 15 0.52 0.65 0.29 0.50 Reject
106 Z16042352
T05
 0 -27.852 1.0678 -1.2523 6 14 0.63 0.71 0.43 0.50 Weak
107 Z803081352
T05
 0 -27.586 1.0728 -1.6994 8 13 0.58 0.65 0.43 0.50 Weak
108 Z56897841
T05
 0 -22.002 1.0737 -1.4846 5 15 0.39 0.53 0.14 0.17 Weak
109 Z277559098
T05
 0 -21.186 1.0892 -1.4894 8 14 0.63 0.71 0.43 0.33 Weak
110 NMT-TY0927
T05
 0 -30.204 1.0968 -1.3451 9 11 0.47 0.53 0.29 0.33 Weak
111 Z44325833
T05
 0 -28.608 1.1084 -1.2043 4 13 0.50 0.59 0.29 0.33 Reject
112 Z56836330
T05
 0 -26.571 1.1201 -1.3216 7 15 0.60 0.71 0.29 0.33 Weak
113 NMT-TY0165
T05
 0 -28.531 1.1221 -1.5979 12 14 0.63 0.71 0.57 0.67 Reject
114 TC235
T05
 0 -27.468 1.1343 -1.0788 10 13 0.58 0.65 0.57 0.67 Reject
115 KB_HAT_75
T05
 0 -28.158 1.1445 -1.1782 5 9 0.30 0.35 0.43 0.50 Reject
116 NMT-TY0141
T05
 0 -27.485 1.1524 -1.9951 5 11 0.56 0.59 0.43 0.50 Weak
117 NMT-TY0412
T05
 0 -28.079 1.1539 -1.4758 4 15 0.68 0.76 0.14 0.17 Weak
118 Z49907521
T05
 0 -26.555 1.1545 -1.3492 4 10 0.50 0.53 0.43 0.50 Weak
119 Z56852852
T05
 0 -27.880 1.1725 -1.6299 2 13 0.30 0.41 0.14 0.17 Weak
120 Z1521554012
T05
 0 -27.102 1.1757 -1.0760 8 11 0.47 0.53 0.14 0.50 Reject
121 OHD_TC2_69
T05
 0 -29.500 1.2008 -1.4521 7 12 0.53 0.59 0.43 0.50 Weak
122 Z57100312
T05
 0 -33.903 1.2028 -1.2175 8 11 0.56 0.59 0.43 0.50 Weak
123 Z33480205
T05
 0 -33.992 1.2155 -1.2092 9 16 0.50 0.65 0.43 0.50 Reject
124 Z21488718
T05
 0 -25.684 1.2168 -1.3490 5 11 0.56 0.59 0.29 0.33 Weak
125 Z56784540
T05
 0 -24.156 1.2192 -0.8256 5 13 0.58 0.65 0.29 0.33 Reject
126 Z49596752
T05
 0 -26.023 1.2225 -0.9693 8 14 0.63 0.71 0.29 0.33 Reject
127 TC232
T05
 0 -26.478 1.2381 -1.0721 9 13 0.50 0.59 0.57 0.67 Reject
128 NMT-TY0139
T05
 0 -30.702 1.2396 -1.9111 6 14 0.55 0.65 0.29 0.33 Promising
129 NMT-TY0924
T05
 0 -31.399 1.2401 -1.3257 9 13 0.50 0.59 0.29 0.33 Weak
130 Z20272268
T05
 0 -27.649 1.2449 -1.3709 6 12 0.45 0.53 0.29 0.33 Weak
131 Z283858708
T05
 0 -29.649 1.2488 -1.3891 4 12 0.61 0.65 0.29 0.33 Weak
132 Z16382965
T05
 0 -30.118 1.2598 -1.1255 5 16 0.57 0.71 0.43 0.50 Weak
133 NMT-TY0622
T05
 0 -28.750 1.2601 -1.1220 9 15 0.60 0.71 0.29 0.50 Weak
134 Z82167118
T05
 0 -29.538 1.2635 -1.0893 5 14 0.41 0.53 0.29 0.33 Weak
135 KB_Leish_118
T05
 0 -27.928 1.2657 -1.9724 5 13 0.50 0.59 0.14 0.17 Weak
136 NMT-TY0929
T05
 0 -28.572 1.2749 -1.0358 7 12 0.61 0.65 0.43 0.67 Reject
137 KB_Leish_88
T05
 0 -32.925 1.2758 -1.4405 4 11 0.47 0.53 0.43 0.50 Weak
138 Z49633576
T05
 0 -27.931 1.2799 -0.9586 8 14 0.72 0.76 0.71 0.67 Reject
139 Z56893259
T05
 0 -30.126 1.2801 -1.9517 4 11 0.47 0.53 0.14 0.17 Promising
140 Z1269163651
T05
 0 -29.500 1.3070 -2.3115 14 8 0.39 0.41 0.43 0.33 Reject
141 Z317384116
T05
 0 -29.127 1.3141 -1.1192 4 14 0.48 0.59 0.43 0.50 Weak
142 TC220
T05
 0 -26.190 1.3197 -1.0159 5 18 0.52 0.71 0.00 0.00 Reject
143 Z2737721067
T05
 0 -32.437 1.3209 -1.3584 8 12 0.53 0.59 0.57 0.50 Weak
144 Z56854256
T05
 0 -42.033 1.3211 -0.9222 7 14 0.55 0.65 0.43 0.50 Reject
145 Z62695796
T05
 0 -27.699 1.3238 -1.4039 3 8 0.32 0.35 0.29 0.33 Promising
146 KB_chagas_219
T05
 0 -25.392 1.3243 -0.9719 5 15 0.52 0.65 0.14 0.17 Reject
147 TC409
T05
 0 -27.782 1.3247 -1.1437 6 14 0.63 0.71 0.29 0.33 Weak
148 Z20255081
T05
 0 -27.530 1.3248 -0.9742 8 15 0.68 0.76 0.29 0.33 Weak
149 NMT-TY0930
T05
 0 -30.141 1.3333 -1.2770 10 15 0.52 0.65 0.29 0.33 Weak
150 Z49614230
T05
 0 -28.168 1.3396 -1.3512 6 9 0.44 0.47 0.43 0.33 Weak
151 Z31546448
T05
 0 -26.164 1.3427 -0.8800 10 16 0.65 0.76 0.29 0.33 Reject
152 Z56960396
T05
 0 -25.622 1.3441 -1.3622 4 12 0.61 0.65 0.14 0.17 Weak
153 Z19005866
T05
 0 -27.934 1.3449 -1.3714 6 12 0.45 0.53 0.29 0.33 Weak
154 Z49728506
T05
 0 -29.877 1.3469 -1.2972 6 12 0.53 0.59 0.43 0.50 Reject
155 ulfkktlib_1310
T05
 0 -29.063 1.3514 -1.2556 3 13 0.43 0.53 0.29 0.33 Weak
156 NMT-TY1026
T05
 0 -27.462 1.3621 -1.3183 6 13 0.50 0.59 0.14 0.33 Weak
157 Z754931268
T05
 0 -27.397 1.3681 -1.9398 7 11 0.47 0.53 0.43 0.50 Weak
158 Z31204537
T05
 0 -31.400 1.3741 -1.2127 3 11 0.65 0.65 0.14 0.17 Weak
159 OHD_Leishmania_162
T05
 0 -26.414 1.3839 -1.7469 6 15 0.45 0.59 0.00 0.00 Weak
160 KB_chagas_60
T05
 0 -28.498 1.4063 -1.1807 6 15 0.68 0.76 0.14 0.33 Weak
161 Z28653497
T05
 0 -25.695 1.4133 -1.1587 3 12 0.61 0.65 0.29 0.33 Weak
162 Z340135168
T05
 0 -23.833 1.4264 -1.1788 2 12 0.53 0.59 0.29 0.33 Weak
163 OHD_TB2020_34
T05
 0 -25.702 1.4316 -0.9755 4 13 0.76 0.76 0.14 0.33 Weak
164 Z57109255
T05
 0 -30.373 1.4352 -1.5308 4 12 0.53 0.59 0.14 0.17 Weak
165 Z56879636
T05
 0 -29.736 1.4375 -1.2159 7 12 0.45 0.53 0.29 0.33 Weak
166 ulfkktlib_1328
T05
 1
2 total
 -25.596 1.4419 -1.1517 10 12 0.45 0.53 0.43 0.50 Weak
167 Z28535914
T05
 0 -24.874 1.4441 -1.1907 2 14 0.55 0.65 0.29 0.33 Weak
168 NMT-TY0661
T05
 0 -27.668 1.4603 -1.2553 6 12 0.53 0.59 0.29 0.50 Weak
169 Z89277543
T05
 0 -24.919 1.4620 -0.8835 6 12 0.53 0.59 0.43 0.50 Weak
170 Z27672470
T05
 0 -29.620 1.4673 -1.3026 4 12 0.61 0.65 0.14 0.17 Weak
171 Z19758150
T05
 0 -28.224 1.4710 -1.2404 3 14 0.48 0.59 0.29 0.50 Weak
172 Z46095617
T05
 0 -23.760 1.4743 -1.3341 12 12 0.53 0.59 0.43 0.33 Weak
173 Z57000552
T05
 0 -26.303 1.4757 -1.4486 3 14 0.55 0.65 0.14 0.33 Weak
174 Z24541677
T05
 0 -28.093 1.4767 -1.0697 6 11 0.65 0.65 0.29 0.33 Weak
175 Z25045815
T05
 0 -29.090 1.4775 -1.2326 3 14 0.48 0.59 0.29 0.33 Weak
176 Z56801576
T05
 0 -29.276 1.4829 -1.5563 7 12 0.53 0.59 0.57 0.50 Weak
177 Z56851748
T05
 0 -23.087 1.4846 -1.1712 4 16 0.65 0.76 0.00 0.17 Weak
178 Z49881375
T05
 0 -29.625 1.4903 -1.4325 7 9 0.53 0.53 0.43 0.50 Weak
179 Z56960414
T05
 0 -26.937 1.4924 -1.1835 3 12 0.61 0.65 0.14 0.17 Weak
180 ulfkktlib_522
T05
 0 -25.268 1.5025 -1.1587 3 13 0.50 0.59 0.43 0.33 Weak
181 Z49613256
T05
 0 -37.582 1.5174 -1.1963 10 13 0.43 0.53 0.29 0.33 Reject
182 Z653340682
T05
 0 -31.402 1.5191 -1.3326 4 12 0.45 0.53 0.29 0.33 Weak
183 Z19649670
T05
 0 -26.283 1.5208 -1.4439 8 10 0.42 0.47 0.43 0.50 Weak
184 Z266766336
T05
 0 -22.880 1.5279 -1.2350 2 12 0.53 0.59 0.29 0.33 Weak
185 Z56983141
T05
 0 -21.870 1.5314 -1.3514 3 17 0.55 0.71 0.14 0.33 Weak
186 Z28340893
T05
 0 -26.323 1.5321 -1.2058 6 10 0.35 0.41 0.43 0.50 Weak
187 Z25248573
T05
 0 -29.137 1.5466 -0.8639 2 14 0.63 0.71 0.29 0.33 Weak
188 MK131
T05
 0 -31.294 1.5548 -1.0938 13 17 0.48 0.65 0.43 0.50 Reject
189 Z266758760
T05
 0 -26.162 1.5660 -1.2470 5 11 0.40 0.47 0.43 0.50 Weak
190 Z57000551
T05
 0 -24.095 1.5771 -1.3990 2 17 0.55 0.71 0.14 0.33 Weak
191 ulfkktlib_3015
T05
 0 -30.012 1.5787 -1.1366 6 13 0.67 0.71 0.14 0.17 Weak
192 Z1162463429
T05
 0 -28.301 1.5927 -1.7465 5 11 0.47 0.53 0.14 0.17 Promising
193 Z56821211
T05
 0 -27.586 1.5993 -1.2484 9 14 0.55 0.65 0.29 0.67 Weak
194 OHD_TC1_221
T05
 0 -27.291 1.6134 -0.8162 7 18 0.59 0.76 0.43 0.50 Reject
195 ulfkktlib_3198
T05
 0 -29.261 1.6237 -1.5669 6 12 0.53 0.59 0.14 0.17 Weak
196 Z1824566179
T05
 0 -29.854 1.6310 -1.4861 6 12 0.53 0.59 0.14 0.17 Weak
197 Z223039568
T05
 0 -27.944 1.6314 -1.2147 3 12 0.53 0.59 0.29 0.33 Weak
198 ulfkktlib_1658
T05
 0 -21.577 1.6321 -0.8684 5 18 0.67 0.82 0.43 0.67 Reject
199 Z653345210
T05
 0 -27.761 1.6328 -1.1877 6 11 0.47 0.53 0.29 0.50 Weak
200 Z274534584
T05
 0 -28.022 1.6371 -1.1813 7 15 0.45 0.59 0.14 0.17 Weak
201 Z56838410
T05
 0 -24.746 1.6515 -1.1226 5 15 0.60 0.71 0.14 0.33 Promising
202 Z19812785
T05
 0 -33.132 1.6522 -1.7409 6 13 0.43 0.53 0.14 0.17 Promising
203 ulfkktlib_2095
T05
 0 -20.727 1.6563 -1.3732 7 11 0.47 0.53 0.29 0.33 Reject
204 Z266756338
T05
 0 -23.728 1.6568 -1.1994 2 12 0.53 0.59 0.29 0.33 Weak
205 OHD_TB2021_95
T05
 0 -27.508 1.6580 -1.1718 6 14 0.55 0.65 0.14 0.17 Weak
206 Z2238830340
T05
 0 -29.128 1.6600 -1.2996 5 11 0.65 0.65 0.43 0.50 Weak
207 Z25399134
T05
 0 -29.057 1.6608 -1.2877 8 12 0.45 0.53 0.43 0.50 Weak
208 Z45561096
T05
 0 -25.051 1.6657 -1.1996 6 15 0.52 0.65 0.14 0.33 Weak
209 OHD_Schistosoma_116
T05
 0 -27.087 1.6667 -0.9334 7 14 0.55 0.65 0.14 0.17 Weak
210 Z266766868
T05
 0 -22.568 1.6680 -1.1603 4 14 0.48 0.59 0.29 0.33 Weak
211 Z56849319
T05
 0 -27.127 1.6785 -1.4390 6 10 0.42 0.47 0.29 0.33 Weak
212 OHD_TB2020_44
T05
 0 -26.258 1.6874 -0.7571 4 13 0.50 0.59 0.29 0.33 Reject
213 Z18381884
T05
 0 -31.015 1.6996 -1.1906 3 14 0.48 0.59 0.29 0.50 Weak
214 ulfkktlib_2836
T05
 0 -25.841 1.6999 -1.1278 6 13 0.58 0.65 0.29 0.33 Weak
215 OHD_TB2021_96
T05
 0 -29.240 1.7014 -1.2042 6 14 0.55 0.65 0.14 0.17 Weak
216 ulfkktlib_912
T05
 0 -26.774 1.7215 -1.6473 5 12 0.53 0.59 0.29 0.33 Weak
217 Z56786752
T05
 0 -27.730 1.7262 -1.5216 9 13 0.58 0.65 0.43 0.50 Weak
218 OHD_ACDS_29
T05
 0 -28.329 1.7271 -1.1308 8 12 0.61 0.65 0.43 0.50 Weak
219 KB_Leish_86
T05
 0 -28.161 1.7316 -1.2611 6 13 0.36 0.47 0.43 0.50 Weak
220 Z49728513
T05
 0 -26.045 1.7437 -1.2337 10 13 0.58 0.65 0.43 0.50 Weak
221 TC426
T05
 0 -29.552 1.7532 -1.1693 10 14 0.55 0.65 0.43 0.67 Weak
222 Z90987624
T05
 0 -27.649 1.7539 -1.1265 4 11 0.47 0.53 0.43 0.50 Weak
223 Z19474712
T05
 0 -31.638 1.7582 -0.8745 4 17 0.48 0.65 0.29 0.33 Reject
224 ulfkktlib_3194
T05
 0 -29.960 1.7590 -1.7534 7 13 0.58 0.65 0.29 0.33 Weak
225 Z15749616
T05
 0 -28.109 1.7609 -0.8821 6 14 0.55 0.65 0.29 0.33 Weak
226 ulfkktlib_1140
T05
 0 -27.738 1.7614 -1.3634 9 14 0.55 0.65 0.29 0.33 Weak
227 Z17638548
T05
 0 -25.089 1.7619 -1.2146 7 11 0.47 0.53 0.29 0.33 Weak
228 Z275025498
T05
 0 -32.479 1.7650 -1.0428 6 12 0.53 0.59 0.29 0.33 Reject
229 Z56851176
T05
 0 -27.985 1.7657 -1.1117 5 10 0.59 0.59 0.29 0.33 Weak
230 Z1537384907
T05
 0 -25.830 1.7811 -1.1332 2 12 0.53 0.59 0.14 0.17 Weak
231 Z25044315
T05
 0 -28.166 1.7835 -1.1913 3 14 0.63 0.71 0.29 0.33 Weak
232 NMT-TY0923
T05
 0 -34.035 1.7875 -1.0158 10 17 0.79 0.88 0.29 0.33 Reject
233 NMT-TY0928
T05
 0 -30.682 1.7947 -1.1910 8 13 0.50 0.59 0.43 0.50 Reject
234 OHD_MAC_75
T05
 0 -28.601 1.7960 -1.0387 9 16 0.57 0.71 0.29 0.33 Reject
235 Z151832316
T05
 0 -27.757 1.7983 -0.9773 6 11 0.65 0.65 0.29 0.50 Weak
236 Z49718975
T05
 0 -38.474 1.7998 -2.0252 9 11 0.47 0.53 0.29 0.17 Weak
237 Z266761848
T05
 0 -23.347 1.8008 -1.1791 2 14 0.48 0.59 0.29 0.33 Weak
238 OHD_MAC_74
T05
 0 -28.839 1.8058 -1.0914 9 16 0.57 0.71 0.29 0.50 Reject
239 Z18889101
T05
 0 -26.669 1.8083 -1.1906 3 14 0.48 0.59 0.29 0.33 Weak
240 ulfkktlib_2648
T05
 0 -28.697 1.8097 -1.0177 10 14 0.55 0.65 0.43 0.50 Reject
241 OHD_MAC_45
T05
 0 -27.303 1.8112 -1.1341 11 13 0.58 0.65 0.29 0.33 Reject
242 KB_Leish_47
T05
 0 -25.434 1.8506 -1.1693 9 11 0.40 0.47 0.57 0.50 Weak
243 OHD_MAC_78
T05
 0 -29.108 1.8554 -1.3531 8 13 0.58 0.65 0.29 0.33 Weak
244 Z57841524
T05
 0 -28.349 1.8569 -1.2638 3 15 0.52 0.65 0.14 0.17 Weak
245 Z226978722
T05
 0 -26.041 1.8731 -1.1234 4 12 0.53 0.59 0.29 0.33 Weak
246 Z28535311
T05
 0 -23.825 1.8806 -1.0488 5 15 0.60 0.71 0.29 0.33 Weak
247 KB_chagas_161
T05
 0 -26.295 1.8864 -1.2090 5 13 0.58 0.65 0.29 0.33 Weak
248 Z56791036
T05
 0 -27.831 1.8942 -1.4834 5 15 0.78 0.82 0.57 0.50 Weak
249 Z19669683
T05
 0 -29.740 1.8969 -1.2215 3 14 0.48 0.59 0.29 0.50 Weak
250 OHD_Leishmania_232
T05
 0 -26.128 1.9112 -1.0449 6 13 0.67 0.71 0.57 0.67 Weak
251 KB_chagas_218
T05
 0 -32.080 1.9127 -1.1939 7 13 0.50 0.59 0.14 0.17 Weak
252 OHD_TC1_25
T05
 1
2 total
 -26.713 1.9156 -1.4853 7 11 0.40 0.47 0.57 0.50 Weak
253 Z56844962
T05
 0 -29.787 1.9196 -1.3605 4 12 0.53 0.59 0.14 0.17 Weak
254 Z275145784
T05
 0 -35.497 1.9280 -1.0738 7 12 0.53 0.59 0.14 0.17 Weak
255 OHD_TC1_24
T05
 0 -26.044 1.9293 -1.4470 9 11 0.40 0.47 0.71 0.67 Weak
256 Z27708919
T05
 0 -24.343 1.9331 -1.2869 6 12 0.53 0.59 0.14 0.33 Weak
257 Z18922521
T05
 0 -29.738 1.9381 -1.0897 5 15 0.52 0.65 0.29 0.33 Weak
258 KB_chagas_133
T05
 0 -30.883 1.9624 -1.0492 7 14 0.63 0.71 0.29 0.33 Weak
259 Z92413403
T05
 0 -24.140 1.9657 -0.9953 7 14 0.55 0.65 0.43 0.50 Weak
260 OHD_MAC_76
T05
 0 -26.672 1.9670 -0.8928 9 15 0.60 0.71 0.29 0.33 Reject
261 KB_chagas_122
T05
 0 -27.402 1.9670 -0.9815 4 12 0.61 0.65 0.14 0.33 Weak
262 Z76796049
T05
 0 -27.654 1.9675 -1.1501 4 13 0.50 0.59 0.43 0.50 Weak
263 Z19809915
T05
 0 -27.099 1.9688 -1.2288 9 12 0.61 0.65 0.29 0.33 Promising
264 Z30268180
T05
 0 -33.466 1.9793 -1.4712 5 16 0.43 0.59 0.14 0.17 Weak
265 KB_Leish_49
T05
 0 -31.881 1.9802 -1.1762 7 14 0.48 0.59 0.57 0.67 Weak
266 ulfkktlib_2881
T05
 0 -29.452 1.9957 -1.3665 11 15 0.52 0.65 0.71 0.67 Reject
267 KB_Leish_22
T05
 0 -28.516 1.9979 -1.4734 4 15 0.39 0.53 0.14 0.17 Weak
268 NMT-TY0820
T05
 0 -25.465 2.0021 -1.3375 10 14 0.72 0.76 0.71 0.67 Weak
269 ulfkktlib_1991
T05
 0 -25.077 2.0053 -1.2091 6 15 0.52 0.65 0.29 0.33 Weak
270 TC241
T05
 0 -28.720 2.0078 -1.1738 9 14 0.55 0.65 0.29 0.33 Reject
271 ulfkktlib_983
T05
 0 -27.035 2.0079 -1.2129 3 15 0.60 0.71 0.14 0.17 Weak
272 Z25378902
T05
 0 -27.103 2.0162 -1.4600 6 13 0.50 0.59 0.29 0.33 Promising
273 ulfkktlib_1826
T05
 0 -23.631 2.0308 -0.7278 2 16 0.65 0.76 0.14 0.17 Reject
274 ulfkktlib_1043
T05
 1
2 total
 -25.835 2.0371 -1.4124 9 15 0.60 0.71 0.43 0.33 Weak
275 Z25330753
T05
 0 -13.083 2.0487 -0.9903 5 14 0.55 0.65 0.43 0.50 Weak
276 OHD_TB2022_30
T05
 0 -22.988 2.0507 -1.0665 8 15 0.68 0.76 0.43 0.33 Reject
277 Z16383985
T05
 0 -25.544 2.0545 -1.1760 7 16 0.57 0.71 0.43 0.50 Weak
278 OSA_Lib_316
T05
 0 -26.939 2.0618 -0.8812 4 17 0.55 0.71 0.14 0.33 Weak
279 Z56905026
T05
 0 -27.931 2.0637 -1.1823 11 16 0.65 0.76 0.29 0.17 Weak
280 Z49732247
T05
 0 -24.079 2.0652 -1.2053 7 8 0.47 0.47 0.29 0.33 Weak
281 TC287
T05
 0 -32.306 2.0653 -2.0546 10 11 0.33 0.41 0.43 0.33 Promising
282 KB_Leish_64
T05
 0 -26.779 2.0688 -1.0843 8 11 0.47 0.53 0.14 0.17 Weak
283 OHD_Leishmania_218
T05
 0 -22.382 2.0766 -1.0037 9 18 0.59 0.76 0.29 0.33 Reject
284 Z49728376
T05
 0 -23.539 2.0770 -1.1740 9 9 0.44 0.47 0.43 0.50 Reject
285 Z16042309
T05
 0 -27.607 2.0801 -1.1923 6 15 0.60 0.71 0.43 0.50 Weak
286 Z18650921
T05
 0 -24.227 2.0852 -1.0406 5 13 0.67 0.71 0.43 0.50 Weak
287 NMT-TY0953
T05
 0 -28.761 2.0876 -1.2943 8 14 0.48 0.59 0.43 0.50 Weak
288 OHD_TB2020_4
T05
 0 -26.118 2.0919 -0.5822 4 17 0.70 0.82 0.29 0.33 Reject
289 Z56851286
T05
 0 -26.024 2.1091 -1.5521 5 11 0.47 0.53 0.14 0.17 Weak
290 Z44856623
T05
 0 -29.642 2.1144 -0.8915 8 17 0.62 0.76 0.29 0.33 Reject
291 ulfkktlib_3008
T05
 0 -32.363 2.1175 -1.7965 8 14 0.55 0.65 0.29 0.33 Weak
292 Z56853873
T05
 0 -31.805 2.1206 -1.0677 5 10 0.59 0.59 0.29 0.33 Weak
293 ulfkktlib_3301
T05
 0 -29.945 2.1352 -1.0698 5 15 0.60 0.71 0.43 0.50 Weak
294 Z56960380
T05
 0 -28.076 2.1374 -1.1515 4 13 0.58 0.65 0.14 0.17 Weak
295 TC430
T05
 0 -28.810 2.1421 -0.7015 11 14 0.55 0.65 0.43 0.33 Reject
296 MK132
T05
 0 -31.306 2.1433 -1.0204 11 19 0.50 0.71 0.43 0.50 Reject
297 Z31287535
T05
 0 -28.749 2.1436 -0.7949 3 16 0.65 0.76 0.29 0.33 Reject
298 ulfkktlib_3618
T05
 1
2 total
 -32.027 2.1466 -0.9655 5 16 0.65 0.76 0.29 0.33 Weak
299 OHD_Leishmania_69
T05
 0 -31.037 2.1474 -0.9903 7 13 0.67 0.71 0.43 0.50 Reject
300 ulfkktlib_3177
T05
 0 -29.634 2.1552 -1.6310 6 13 0.50 0.59 0.14 0.33 Weak
301 ulfkktlib_1316
T05
 0 -30.834 2.1574 -1.2258 6 15 0.52 0.65 0.29 0.33 Weak
302 ulfkktlib_2878
T05
 0 -26.270 2.1653 -1.1627 9 13 0.58 0.65 0.57 0.50 Reject
303 Z19656164
T05
 0 -25.576 2.1867 -1.3523 7 14 0.55 0.65 0.29 0.33 Weak
304 TC358
T05
 0 -20.595 2.1886 -0.9884 6 18 0.67 0.82 0.57 0.50 Weak
305 TC261
T05
 0 -27.315 2.1910 -1.6427 8 17 0.55 0.71 0.14 0.17 Weak
306 ulfkktlib_2046
T05
 0 -26.164 2.1926 -1.1206 4 15 0.68 0.76 0.00 0.00 Reject
307 TC410
T05
 0 -28.082 2.1949 -1.1862 8 16 0.65 0.76 0.29 0.33 Weak
308 Z56902329
T05
 0 -25.449 2.2027 -1.1162 10 15 0.68 0.76 0.29 0.33 Weak
309 KB_chagas_167
T05
 0 -24.347 2.2078 -1.0692 4 14 0.48 0.59 0.29 0.33 Reject
310 Z57985071
T05
 0 -27.315 2.2087 -0.9306 9 16 0.57 0.71 0.43 0.50 Weak
311 Z17094078
T05
 0 -30.450 2.2093 -1.1047 7 15 0.45 0.59 0.29 0.33 Weak
312 Z25102896
T05
 0 -31.894 2.2189 -1.7208 5 13 0.43 0.53 0.14 0.17 Promising
313 Z223042524
T05
 0 -26.896 2.2262 -1.9981 7 10 0.42 0.47 0.43 0.50 Promising
314 OHD_TC1_122
T05
 0 -29.674 2.2264 -1.7445 5 14 0.41 0.53 0.14 0.17 Weak
315 Z21485324
T05
 0 -27.860 2.2302 -1.4138 6 12 0.38 0.47 0.29 0.33 Weak
316 NMT-TY0945
T05
 0 -29.336 2.2389 -1.2442 6 13 0.50 0.59 0.29 0.33 Weak
317 ulfkktlib_3308
T05
 0 -29.055 2.2405 -1.0371 6 14 0.63 0.71 0.43 0.50 Reject
318 ulfkktlib_2479
T05
 0 -23.578 2.2458 -1.0287 6 12 0.61 0.65 0.43 0.50 Weak
319 Z57170530
T05
 0 -27.767 2.2504 -1.1362 6 12 0.61 0.65 0.43 0.50 Weak
320 Z18970050
T05
 0 -34.547 2.2515 -1.0812 3 12 0.53 0.59 0.29 0.33 Weak
321 Z20229393
T05
 0 -32.380 2.2518 -1.3594 4 11 0.56 0.59 0.29 0.33 Weak
322 ulfkktlib_1588
T05
 1
2 total
 -32.680 2.2540 -0.9953 4 14 0.55 0.65 0.29 0.33 Weak
323 MK220
T05
 0 -22.483 2.2554 -0.8863 4 14 0.72 0.76 0.14 0.17 Weak
324 ulfkktlib_3174
T05
 0 -34.647 2.2744 -1.9165 13 12 0.71 0.71 0.71 0.67 Weak
325 Z24585638
T05
 0 -26.787 2.2842 -0.9736 3 13 0.67 0.71 0.14 0.17 Weak
326 Z21490360
T05
 0 -26.223 2.3107 -1.3331 4 11 0.56 0.59 0.29 0.33 Weak
327 Z44591573
T05
 0 -25.907 2.3132 -0.9992 5 12 0.45 0.53 0.14 0.17 Weak
328 NMT-TY0938
T05
 0 -29.468 2.3163 -1.4074 9 13 0.43 0.53 0.43 0.50 Weak
329 ulfkktlib_626
T05
 0 -21.776 2.3199 -1.3329 3 14 0.55 0.65 0.14 0.33 Weak
330 Z44425700
T05
 0 -23.187 2.3420 -1.2786 7 13 0.67 0.71 0.43 0.50 Weak
331 OHD_Leishmania_93
T05
 0 -29.402 2.3460 -1.3944 7 13 0.58 0.65 0.29 0.17 Weak
332 Z1541758494
T05
 0 -31.076 2.3511 -1.3520 5 13 0.58 0.65 0.14 0.17 Weak
333 KB_Leish_182
T05
 0 -31.135 2.3518 -0.9986 4 14 0.55 0.65 0.14 0.33 Weak
334 ulfkktlib_1313
T05
 0 -28.241 2.3597 -1.1395 5 14 0.48 0.59 0.29 0.33 Weak
335 NMT-TY0411
T05
 0 -28.459 2.3622 -1.4674 9 11 0.40 0.47 0.43 0.50 Weak
336 Z18451981
T05
 0 -30.215 2.3826 -1.2972 4 15 0.52 0.65 0.14 0.17 Promising
337 Z56849557
T05
 0 -29.598 2.3854 -0.7481 8 14 0.55 0.65 0.57 0.67 Weak
338 Z754931264
T05
 0 -27.041 2.3865 -1.4630 9 14 0.48 0.59 0.43 0.50 Weak
339 Z56175890
T05
 0 -26.445 2.3897 -0.9724 4 17 0.62 0.76 0.29 0.33 Reject
340 ulfkktlib_1824
T05
 1
2 total
 -23.969 2.3947 -0.6478 2 16 0.65 0.76 0.14 0.17 Reject
341 OSA_Lib_54
T05
 0 -27.337 2.3967 -0.9444 3 11 0.40 0.47 0.00 0.33 Weak
342 Z57388199
T05
 0 -27.301 2.3967 -0.8858 5 18 0.67 0.82 0.29 0.33 Weak
343 OHD_Leishmania_125
T05
 0 -31.440 2.4007 -0.7227 6 18 0.75 0.88 0.71 0.67 Reject
344 MK218
T05
 0 -25.076 2.4031 -0.9091 5 13 0.67 0.71 0.14 0.17 Weak
345 GemmaOHDUnisi_41
T05
 0 -29.867 2.4109 -0.8379 7 13 0.50 0.59 0.43 0.33 Weak
346 OHD_Leishmania_132
T05
 0 -29.217 2.4171 -0.9845 6 15 0.78 0.82 0.71 0.67 Weak
347 Z19777521
T05
 0 -24.778 2.4207 -1.2825 4 13 0.58 0.65 0.29 0.33 Weak
348 NMT-TY0935
T05
 0 -31.204 2.4230 -1.3268 12 14 0.48 0.59 0.57 0.67 Reject
349 OHD_MAC_55
T05
 0 -23.537 2.4316 -1.1983 10 17 0.55 0.71 0.29 0.33 Weak
350 ulfkktlib_2486
T05
 0 -27.695 2.4373 -0.8769 7 9 0.44 0.47 0.29 0.33 Reject
351 Z30858102
T05
 0 -25.644 2.4411 -1.1282 6 16 0.50 0.65 0.29 0.33 Weak
352 Z1521553982
T05
 0 -31.816 2.4550 -0.8955 8 16 0.83 0.88 0.86 0.83 Reject
353 Z19657714
T05
 0 -27.484 2.4558 -1.1717 4 13 0.50 0.59 0.29 0.33 Weak
354 Z166630988
T05
 0 -27.500 2.4595 -1.0728 5 17 0.70 0.82 0.14 0.33 Weak
355 OHD_MAC_72
T05
 0 -26.022 2.4630 -0.9561 9 14 0.55 0.65 0.29 0.33 Reject
356 OHD_TB2022_22
T05
 0 -26.569 2.4725 -1.0020 7 14 0.72 0.76 0.86 0.83 Weak
357 TC84
T05
 0 -23.584 2.4747 -0.7705 2 14 0.55 0.65 0.14 0.17 Weak
358 Z19651549
T05
 0 -27.429 2.4750 -1.3594 11 16 0.43 0.59 0.57 0.50 Weak
359 Z49894131
T05
 0 -29.040 2.4753 -1.2707 5 12 0.53 0.59 0.29 0.33 Weak
360 OHD_TB2022_20
T05
 1
2 total
 -25.172 2.4757 -0.9871 6 16 0.83 0.88 0.71 0.67 Reject
361 Z30926804
T05
 0 -25.548 2.4758 -1.2511 6 11 0.47 0.53 0.43 0.50 Weak
362 NMT-TY0959
T05
 0 -28.753 2.4805 -1.0351 9 12 0.61 0.65 0.43 0.50 Reject
363 NMT-TY0833
T05
 0 -29.665 2.4901 -1.3569 8 14 0.55 0.65 0.29 0.50 Weak
364 Z24304592
T05
 0 -29.512 2.4947 -1.0839 6 14 0.55 0.65 0.43 0.67 Weak
365 NMT-TY0625
T05
 0 -28.140 2.5094 -1.0319 6 13 0.67 0.71 0.14 0.33 Reject
366 KB_chagas_12
T05
 0 -24.799 2.5111 -1.0177 5 15 0.52 0.65 0.43 0.50 Reject
367 OHD_Leishmania_126
T05
 0 -26.439 2.5166 -0.9009 6 15 0.88 0.88 0.71 0.67 Weak
368 Z18651473
T05
 0 -26.483 2.5171 -0.9474 6 14 0.63 0.71 0.29 0.33 Weak
369 NMT-TY0563
T05
 0 -27.319 2.5179 -1.2376 9 14 0.55 0.65 0.57 0.50 Weak
370 Z25107081
T05
 0 -32.416 2.5202 -1.8495 10 14 0.55 0.65 0.57 0.50 Weak
371 Z56781211
T05
 0 -33.585 2.5227 -1.1505 6 13 0.58 0.65 0.43 0.50 Weak
372 Z1575277625
T05
 0 -29.285 2.5251 -1.1247 8 15 0.52 0.65 0.14 0.17 Weak
373 OHD_Leishmania_131
T05
 0 -28.893 2.5301 -1.0620 6 15 0.88 0.88 0.71 0.67 Reject
374 Z49638306
T05
 0 -32.691 2.5313 -0.9438 6 12 0.53 0.59 0.43 0.33 Weak
375 Z49724748
T05
 0 -27.741 2.5315 -1.1161 6 11 0.47 0.53 0.14 0.17 Weak
376 KB_chagas_127
T05
 0 -27.396 2.5321 -0.8869 5 14 0.55 0.65 0.29 0.33 Reject
377 TC488
T05
 0 -25.523 2.5362 -0.8488 5 15 0.78 0.82 0.14 0.17 Weak
378 Z56932065
T05
 0 -23.111 2.5466 -1.1211 15 15 0.68 0.76 0.43 0.33 Weak
379 Z275023080
T05
 0 -29.928 2.5553 -0.9406 7 15 0.52 0.65 0.29 0.33 Reject
380 ulfkktlib_2382
T05
 1
2 total
 -22.018 2.5594 -2.0054 5 11 0.33 0.41 0.14 0.17 Weak
381 Z53840331
T05
 0 -17.491 2.5624 -1.0371 10 12 0.61 0.65 0.57 0.67 Weak
382 OHD_Leishmania_76
T05
 1
2 total
 -32.685 2.5644 -1.2674 3 12 0.53 0.59 0.14 0.17 Weak
383 Z728800604
T05
 0 -26.397 2.5771 -1.1039 13 13 0.58 0.65 0.43 0.33 Weak
384 Z57008911
T05
 0 -23.944 2.5791 -1.2239 9 13 0.50 0.59 0.43 0.67 Weak
385 MK170
T05
 0 -31.966 2.5808 -1.0736 8 13 0.58 0.65 0.43 0.67 Reject
386 Z31546662
T05
 0 -32.183 2.5817 -0.9596 9 16 0.65 0.76 0.43 0.50 Reject
387 Z44847963
T05
 0 -22.169 2.5957 -0.9306 7 11 0.56 0.59 0.43 0.50 Weak
388 KB_HAT_130
T05
 0 -28.745 2.5989 -1.2998 4 14 0.48 0.59 0.29 0.33 Weak
389 NMT-TY0371
T05
 0 -29.567 2.6041 -1.5544 11 18 0.59 0.76 0.43 0.50 Weak
390 Z49547615
T05
 0 -26.698 2.6112 -0.8896 6 14 0.63 0.71 0.14 0.33 Weak
391 Z45614063
T05
 0 -26.256 2.6135 -1.1572 8 17 0.55 0.71 0.29 0.33 Weak
392 KB_Leish_142
T05
 0 -28.297 2.6226 -1.1159 6 12 0.61 0.65 0.29 0.33 Weak
393 Z56815608
T05
 0 -31.209 2.6302 -1.1445 6 12 0.53 0.59 0.57 0.50 Reject
394 OHD_Leishmania_128
T05
 0 -28.624 2.6326 -0.8435 7 15 0.88 0.88 0.86 0.83 Reject
395 KB_Leish_48
T05
 0 -24.846 2.6370 -1.2378 5 16 0.50 0.65 0.14 0.17 Weak
396 OHD_TC1_144
T05
 0 -27.723 2.6405 -1.6403 5 12 0.53 0.59 0.14 0.17 Weak
397 OHD_Leishmania_75
T05
 0 -33.015 2.6467 -1.3958 5 13 0.58 0.65 0.14 0.33 Weak
398 MK156
T05
 0 -33.093 2.6468 -1.2608 10 12 0.45 0.53 0.43 0.50 Weak
399 KB_HAT_181
T05
 0 -29.981 2.6510 -1.1650 11 12 0.53 0.59 0.29 0.67 Weak
400 Z46080225
T05
 0 -30.347 2.6590 -0.9732 3 15 0.60 0.71 0.14 0.17 Weak
401 OHD_Leishmania_135
T05
 0 -20.311 2.6638 -0.8072 5 18 0.67 0.82 0.57 0.67 Reject
402 ulfkktlib_3063
T05
 0 -26.588 2.6740 -1.1659 7 11 0.56 0.59 0.29 0.33 Weak
403 KB_chagas_16
T05
 0 -22.491 2.6746 -1.1898 7 19 0.64 0.82 0.71 0.67 Weak
404 Z169788636
T05
 0 -29.803 2.6867 -1.2443 5 9 0.37 0.41 0.29 0.50 Weak
405 Z49692586
T05
 0 -29.289 2.6957 -0.9113 6 14 0.55 0.65 0.29 0.33 Reject
406 OHD_TC1_243
T05
 0 -26.247 2.6964 -0.5916 5 14 0.55 0.65 0.29 0.33 Reject
407 Z19657014
T05
 0 -26.979 2.7005 -1.1696 9 13 0.58 0.65 0.43 0.50 Weak
408 Z15584023
T05
 0 -28.255 2.7098 -0.9182 7 13 0.67 0.71 0.43 0.67 Weak
409 Z276200254
T05
 0 -24.041 2.7101 -1.0719 14 15 0.45 0.59 0.43 0.67 Reject
410 Z49558975
T05
 0 -29.779 2.7112 -1.1466 7 11 0.47 0.53 0.43 0.33 Weak
411 Z29582968
T05
 0 -31.709 2.7118 -0.8501 6 13 0.50 0.59 0.43 0.50 Weak
412 Z56935963
T05
 0 -27.645 2.7147 -1.1236 14 15 0.68 0.76 0.43 0.33 Weak
413 ulfkktlib_2003
T05
 0 -25.547 2.7235 -0.9569 9 15 0.60 0.71 0.29 0.33 Reject
414 ulfkktlib_1858
T05
 0 -27.239 2.7250 -0.9929 6 14 0.55 0.65 0.29 0.33 Weak
415 Z1020745644
T05
 0 -28.106 2.7432 -1.7256 5 13 0.50 0.59 0.14 0.17 Promising
416 Z19114457
T05
 0 -28.106 2.7488 -1.4263 6 13 0.50 0.59 0.29 0.33 Promising
417 Z1541758727
T05
 0 -28.351 2.7580 -1.2681 11 16 0.57 0.71 0.29 0.50 Reject
418 Z28654534
T05
 0 -36.760 2.7705 -0.8449 7 12 0.61 0.65 0.43 0.50 Reject
419 OHD_TbNat_18
T05
 0 -28.578 2.7712 -1.4564 8 13 0.58 0.65 0.43 0.50 Weak
420 OHD_TbNat_100
T05
 0 -21.997 2.7856 -1.3306 10 15 0.60 0.71 0.43 0.50 Reject
421 Z44831771
T05
 0 -33.822 2.7859 -1.0851 10 16 0.57 0.71 0.14 0.33 Reject
422 KB_HAT_187
T05
 0 -24.828 2.7963 -1.0579 7 12 0.53 0.59 0.43 0.67 Weak
423 Z19673935
T05
 0 -18.139 2.7992 -1.1393 3 14 0.55 0.65 0.14 0.50 Weak
424 Z49605060
T05
 0 -20.030 2.7998 -1.0595 5 12 0.71 0.71 0.29 0.33 Weak
425 Z30225126
T05
 0 -26.993 2.8005 -0.9692 5 13 0.43 0.53 0.43 0.50 Reject
426 OHD_TC1_160
T05
 0 -27.448 2.8069 -0.8248 4 19 0.71 0.88 0.29 0.33 Weak
427 Z1515383340
T05
 0 -30.452 2.8244 -1.8199 10 11 0.47 0.53 0.29 0.33 Weak
428 Z56175908
T05
 0 -25.625 2.8272 -1.1494 5 14 0.55 0.65 0.29 0.33 Reject
429 Z49719002
T05
 0 -32.649 2.8349 -1.9657 13 12 0.38 0.47 0.43 0.33 Reject
430 KB_HAT_126
T05
 0 -31.310 2.8377 -1.2991 5 14 0.55 0.65 0.29 0.33 Weak
431 KB_Leish_41
T05
 0 -32.044 2.8460 -0.9283 9 17 0.70 0.82 0.43 0.50 Reject
432 Z1501475005
T05
 0 -22.374 2.8485 -1.0093 7 15 0.78 0.82 0.71 0.67 Reject
433 KB_HAT_103
T05
 0 -29.893 2.8511 -1.1838 5 16 0.65 0.76 0.14 0.17 Weak
434 Z336483096
T05
 0 -33.011 2.8641 -1.0564 3 14 0.48 0.59 0.14 0.17 Weak
435 Z19455379
T05
 0 -27.947 2.8650 -1.2719 9 13 0.58 0.65 0.29 0.33 Promising
436 Z44866976
T05
 0 -26.794 2.8678 -0.9181 7 12 0.61 0.65 0.43 0.33 Reject
437 ulfkktlib_339
T05
 0 -31.141 2.8727 -1.5392 7 13 0.58 0.65 0.14 0.17 Reject
438 NMT-TY0601
T05
 0 -29.594 2.8834 -0.9705 10 15 0.52 0.65 0.43 0.33 Reject
439 OHD_MAC_49
T05
 0 -27.489 2.8859 -1.0104 13 18 0.52 0.71 0.29 0.33 Reject
440 ulfkktlib_1919
T05
 0 -27.412 2.8878 -0.9612 7 14 0.55 0.65 0.29 0.33 Weak
441 Z2755722093
T05
 0 -29.942 2.8906 -2.0226 5 13 0.36 0.47 0.14 0.17 Promising
442 NMT-TY0975
T05
 0 -29.386 2.8980 -1.2464 6 12 0.53 0.59 0.29 0.50 Weak
443 Z56948577
T05
 0 -26.402 2.9054 -1.1427 3 15 0.52 0.65 0.29 0.33 Weak
444 NMT-TY0602
T05
 0 -29.725 2.9190 -1.1672 13 13 0.58 0.65 0.57 0.50 Weak
445 Z30201775
T05
 0 -27.433 2.9213 -0.7874 4 14 0.63 0.71 0.29 0.33 Reject
446 OHD_DCM_2
T05
 0 -27.727 2.9226 -1.1857 6 13 0.50 0.59 0.43 0.50 Weak
447 Z20253414
T05
 0 -27.260 2.9291 -1.0687 5 14 0.63 0.71 0.29 0.33 Weak
448 ulfkktlib_939
T05
 0 -25.900 2.9347 -1.0362 4 12 0.61 0.65 0.14 0.17 Weak
449 Z19352754
T05
 0 -30.592 2.9348 -1.0500 4 16 0.57 0.71 0.29 0.33 Weak
450 Z56976985
T05
 0 -28.793 2.9376 -1.2237 2 18 0.52 0.71 0.00 0.00 Weak
451 NMT-TY0645
T05
 0 -29.304 2.9386 -0.8250 8 17 0.70 0.82 0.29 0.33 Reject
452 ulfkktlib_3298
T05
 0 -22.633 2.9389 -1.1804 10 18 0.59 0.76 0.29 0.33 Reject
453 Z89541367
T05
 0 -29.609 2.9409 -1.0840 6 13 0.67 0.71 0.29 0.33 Weak
454 Z31545384
T05
 0 -28.502 2.9488 -0.9161 10 14 0.63 0.71 0.43 0.50 Reject
455 KB_chagas_102
T05
 0 -22.943 2.9491 -1.0268 5 16 0.50 0.65 0.29 0.33 Weak
456 Z68347974
T05
 0 -34.744 2.9667 -1.2043 6 12 0.45 0.53 0.00 0.00 Weak
457 Z16872527
T05
 0 -27.352 2.9825 -1.0974 4 15 0.60 0.71 0.14 0.17 Weak
458 ulfkktlib_2971
T05
 0 -29.904 2.9855 -1.4281 5 10 0.50 0.53 0.29 0.33 Weak
459 Z19750428
T05
 0 -26.684 2.9894 -1.1752 4 14 0.48 0.59 0.43 0.50 Weak
460 TC408
T05
 0 -35.119 2.9949 -1.1746 8 15 0.60 0.71 0.29 0.33 Weak
461 OHD_TbNat_105
T05
 0 -30.488 2.9990 -1.0219 6 17 0.70 0.82 0.43 0.50 Weak
462 Z31122016
T05
 0 -27.677 3.0188 -1.0393 6 13 0.58 0.65 0.43 0.50 Weak
463 TC551
T05
 0 -27.244 3.0498 -1.0735 9 20 0.61 0.82 0.43 0.50 Weak
464 TC275
T05
 0 -25.788 3.0555 -1.3148 5 12 0.53 0.59 0.14 0.17 Weak
465 Z82210777
T05
 0 -26.037 3.0577 -0.9943 3 16 0.57 0.71 0.14 0.17 Reject
466 Z25106961
T05
 0 -27.324 3.0578 -1.1073 5 12 0.53 0.59 0.29 0.33 Weak
467 KB_chagas_34
T05
 0 -24.265 3.0781 -0.8690 3 15 0.45 0.59 0.14 0.17 Weak
468 OHD_TC1_88
T05
 0 -30.419 3.0787 -1.4610 6 13 0.58 0.65 0.57 0.50 Weak
469 Z28535391
T05
 0 -23.401 3.0810 -0.9967 3 15 0.60 0.71 0.29 0.33 Weak
470 Z49604116
T05
 0 -32.553 3.0832 -1.0087 9 10 0.42 0.47 0.29 0.33 Reject
471 NMT-TY0614
T05
 0 -27.236 3.0839 -0.8951 6 16 0.65 0.76 0.14 0.33 Reject
472 NMT-TY0579
T05
 0 -28.495 3.0845 -1.0731 12 16 0.65 0.76 0.43 0.50 Reject
473 Z1157834224
T05
 0 -27.507 3.0916 -1.0360 4 16 0.65 0.76 0.29 0.33 Weak
474 OHD_MAC_11
T05
 0 -22.507 3.0936 -1.0188 11 16 0.50 0.65 0.29 0.33 Reject
475 Z49628521
T05
 0 -27.974 3.0970 -1.1337 4 12 0.71 0.71 0.14 0.17 Reject
476 OHD_TC2_66
T05
 0 -24.516 3.1001 -1.1605 5 14 0.63 0.71 0.14 0.17 Weak
477 Z30994396
T05
 0 -28.466 3.1056 -1.2489 5 11 0.56 0.59 0.29 0.33 Weak
478 TC224
T05
 0 -28.947 3.1072 -1.0670 6 13 0.58 0.65 0.00 0.00 Weak
479 Z16588308
T05
 0 -31.189 3.1093 -1.1415 6 18 0.75 0.88 0.29 0.33 Weak
480 Z49595914
T05
 0 -23.759 3.1111 -0.7541 6 15 0.45 0.59 0.43 0.50 Reject
481 OHD_Leishmania_310
T05
 0 -24.183 3.1203 -1.0753 8 16 0.57 0.71 0.43 0.50 Weak
482 OHD_Leishmania_89
T05
 0 -27.855 3.1289 -0.9583 7 15 0.45 0.59 0.29 0.33 Reject
483 Z1501480421
T05
 0 -22.697 3.1355 -1.1384 11 13 0.50 0.59 0.43 0.50 Reject
484 Z15821830
T05
 0 -30.723 3.1391 -0.9626 9 14 0.63 0.71 0.29 0.50 Reject
485 ulfkktlib_2634
T05
 0 -26.381 3.1397 -1.1392 15 17 0.62 0.76 0.57 0.50 Reject
486 Z19281901
T05
 0 -29.644 3.1416 -1.0573 7 13 0.58 0.65 0.29 0.33 Weak
487 OHD_Leishmania_129
T05
 0 -25.321 3.1416 -0.8699 7 16 0.83 0.88 0.86 0.83 Weak
488 Z64375248
T05
 0 -24.973 3.1464 -1.3533 10 15 0.52 0.65 0.29 0.33 Weak
489 Z24314037
T05
 0 -31.969 3.1600 -1.0450 7 13 0.58 0.65 0.29 0.50 Weak
490 OHD_TC2_67
T05
 0 -24.641 3.1661 -1.1481 5 14 0.63 0.71 0.14 0.17 Weak
491 ulfkktlib_3012
T05
 0 -24.494 3.1678 -1.6393 6 12 0.53 0.59 0.14 0.17 Weak
492 Z29466466
T05
 0 -33.261 3.1925 -1.0468 6 17 0.48 0.65 0.43 0.50 Weak
493 OHD_Leishmania_380
T05
 0 -24.337 3.1940 -0.7200 8 16 0.65 0.76 0.29 0.33 Weak
494 Z19281948
T05
 0 -32.048 3.2130 -1.1662 7 14 0.63 0.71 0.29 0.33 Weak
495 OHD_Leishmania_124
T05
 0 -29.422 3.2141 -0.8441 7 17 0.70 0.82 0.71 0.67 Reject
496 Z49576389
T05
 0 -24.406 3.2182 -0.8777 8 16 0.57 0.71 0.29 0.50 Reject
497 Z45635483
T05
 0 -25.767 3.2217 -1.1646 9 15 0.52 0.65 0.29 0.33 Weak
498 OHD_TB2022_21
T05
 0 -24.970 3.2354 -0.7851 4 18 0.67 0.82 0.57 0.67 Weak
499 ulfkktlib_2989
T05
 0 -28.149 3.2362 -1.6413 8 15 0.45 0.59 0.14 0.17 Weak
500 Z56175938
T05
 0 -26.994 3.2416 -1.1534 4 14 0.63 0.71 0.14 0.17 Reject
501 NMT-TY0549
T05
 0 -36.284 3.2494 -1.3115 14 18 0.67 0.82 0.43 0.50 Reject
502 Z19055763
T05
 0 -27.134 3.2693 -0.9379 3 12 0.61 0.65 0.29 0.33 Weak
503 Z16027908
T05
 0 -30.225 3.2732 -1.3258 6 17 0.55 0.71 0.14 0.33 Weak
504 Z18384764
T05
 0 -21.026 3.2745 -1.0242 12 15 0.52 0.65 0.29 0.33 Reject
505 TC284
T05
 0 -28.404 3.2750 -1.6012 8 16 0.50 0.65 0.14 0.17 Weak
506 Z19456089
T05
 0 -28.504 3.2766 -0.9800 7 14 0.55 0.65 0.29 0.33 Weak
507 Z49558969
T05
 0 -27.017 3.2772 -1.1229 8 13 0.50 0.59 0.00 0.00 Weak
508 OHD_MAC_43
T05
 0 -24.007 3.2842 -0.9049 8 16 0.50 0.65 0.14 0.33 Reject
509 ulfkktlib_883
T05
 0 -24.969 3.3043 -1.0389 9 17 0.70 0.82 0.57 0.50 Reject
510 Z1521553711
T05
 0 -28.650 3.3099 -1.4154 6 13 0.58 0.65 0.29 0.17 Weak
511 Z29504149
T05
 0 -26.169 3.3226 -1.0492 10 13 0.50 0.59 0.29 0.33 Reject
512 Z16261437
T05
 0 -30.617 3.3301 -0.9818 8 14 0.63 0.71 0.29 0.33 Weak
513 NMT-TY0939
T05
 0 -26.907 3.3312 -1.1127 10 14 0.48 0.59 0.43 0.50 Reject
514 Z1521553597
T05
 0 -26.016 3.3328 -0.9434 4 13 0.67 0.71 0.43 0.50 Reject
515 OHD_Schistosoma_119
T05
 0 -32.908 3.3374 -1.0699 7 15 0.52 0.65 0.29 0.50 Reject
516 Z44857448
T05
 0 -27.821 3.3450 -0.9625 7 14 0.63 0.71 0.14 0.17 Reject
517 ulfkktlib_3138
T05
 0 -30.866 3.3509 -1.4594 8 12 0.53 0.59 0.29 0.33 Weak
518 Z55328681
T05
 0 -30.328 3.3525 -1.1929 10 15 0.68 0.76 0.71 0.67 Reject
519 OSA_Lib_109
T05
 0 -22.235 3.3557 -0.7924 5 11 0.47 0.53 0.29 0.33 Reject
520 Z27504791
T05
 0 -25.921 3.3603 -1.0484 9 16 0.50 0.65 0.43 0.50 Weak
521 OHD_MAC_77
T05
 0 -27.460 3.3622 -1.1826 10 16 0.57 0.71 0.29 0.50 Reject
522 NMT-TY0566
T05
 0 -30.910 3.3656 -1.6344 5 17 0.62 0.76 0.14 0.17 Weak
523 Z68347375
T05
 0 -38.300 3.3713 -1.1593 5 16 0.65 0.76 0.29 0.33 Reject
524 Z56765335
T05
 0 -25.091 3.3748 -1.0577 8 15 0.52 0.65 0.43 0.50 Weak
525 Z16382399
T05
 0 -32.405 3.3893 -1.0687 7 15 0.52 0.65 0.29 0.33 Reject
526 Z56842351
T05
 0 -30.085 3.3936 -1.0201 4 14 0.63 0.71 0.14 0.17 Reject
527 OHD_MAC_54
T05
 0 -29.715 3.3958 -1.0552 10 21 0.52 0.76 0.29 0.33 Reject
528 ulfkktlib_2489
T05
 0 -30.560 3.3960 -0.8792 7 12 0.61 0.65 0.29 0.33 Reject
529 Z44848907
T05
 0 -26.296 3.3989 -0.8187 2 15 0.78 0.82 0.00 0.00 Reject
530 OHD_Leishmania_482
T05
 0 -31.245 3.4007 -0.9895 5 16 0.57 0.71 0.14 0.17 Weak
531 ulfkktlib_1378
T05
 0 -27.935 3.4098 -0.9104 10 16 0.57 0.71 0.29 0.33 Reject
532 Z29467292
T05
 0 -28.614 3.4491 -1.1340 10 14 0.48 0.59 0.14 0.17 Weak
533 OHD_Leishmania_127
T05
 0 -29.779 3.4539 -0.8329 9 17 0.70 0.82 0.71 0.67 Reject
534 MK215
T05
 0 -23.008 3.4668 -0.9753 5 15 0.60 0.71 0.14 0.17 Reject
535 KB_Leish_36
T05
 1
2 total
 -28.838 3.4787 -1.1468 7 19 0.64 0.82 0.71 0.67 Weak
536 Z56327467
T05
 0 -23.390 3.4824 -1.0122 6 15 0.60 0.71 0.14 0.17 Weak
537 Z29461229
T05
 0 -28.622 3.4855 -1.5313 6 12 0.26 0.35 0.29 0.33 Weak
538 Z29275219
T05
 0 -32.553 3.4880 -1.5582 5 14 0.35 0.47 0.14 0.17 Weak
539 Z49605162
T05
 0 -25.697 3.4886 -0.7779 5 16 0.74 0.82 0.29 0.33 Reject
540 Z30857987
T05
 0 -25.438 3.5047 -1.2071 5 15 0.52 0.65 0.29 0.33 Weak
541 OHD_TB2021_41
T05
 0 -26.667 3.5126 -1.4340 8 13 0.50 0.59 0.14 0.33 Weak
542 OHD_Leishmania_366
T05
 0 -15.470 3.5168 -0.8677 12 13 0.58 0.65 0.43 0.50 Reject
543 MK136
T05
 0 -24.534 3.5243 -0.9583 5 15 0.60 0.71 0.29 0.33 Weak
544 Z56900576
T05
 0 -23.596 3.5501 -1.1388 15 16 0.74 0.82 0.43 0.33 Reject
545 TC428
T05
 0 -24.157 3.6024 -1.1251 12 12 0.38 0.47 0.43 0.50 Weak
546 Z49891479
T05
 0 -29.656 3.6334 -1.1974 6 14 0.63 0.71 0.29 0.33 Weak
547 OHD_Leishmania_133
T05
 0 -29.637 3.6382 -0.8868 9 18 0.75 0.88 0.71 0.67 Reject
548 Z56775484
T05
 0 -22.349 3.6400 -1.0219 5 15 0.60 0.71 0.43 0.50 Reject
549 Z44848695
T05
 0 -31.760 3.6637 -0.8755 6 13 0.58 0.65 0.00 0.00 Weak
550 Z2216296998
T05
 0 -28.933 3.6775 -0.8636 2 14 0.63 0.71 0.14 0.17 Weak
551 OHD_TB2022_1
T05
 0 -26.885 3.6840 -0.9164 5 13 0.50 0.59 0.29 0.33 Reject
552 Z30879796
T05
 0 -27.005 3.6867 -0.8804 2 15 0.60 0.71 0.00 0.00 Weak
553 OHD_TB2020_33
T05
 0 -26.200 3.7047 -0.8485 4 15 0.60 0.71 0.29 0.33 Weak
554 Z2144222809
T05
 0 -30.002 3.7202 -0.9152 12 12 0.61 0.65 0.57 0.50 Reject
555 Z57183373
T05
 0 -34.097 3.7308 -1.6105 11 12 0.53 0.59 0.43 0.33 Weak
556 Z19223403
T05
 0 -28.196 3.7396 -0.8946 7 18 0.67 0.82 0.29 0.33 Weak
557 Z966775152
T05
 0 -26.967 3.7609 -1.5176 8 14 0.48 0.59 0.29 0.33 Weak
558 Z2235487241
T05
 0 -25.488 3.7749 -1.4262 8 14 0.63 0.71 0.14 0.33 Weak
559 KB_Leish_181
T05
 0 -26.771 3.7871 -0.8506 4 14 0.63 0.71 0.43 0.50 Weak
560 ulfkktlib_1341
T05
 0 -27.836 3.7914 -1.3916 5 13 0.50 0.59 0.14 0.17 Weak
561 Z51438269
T05
 0 -29.399 3.7915 -1.2961 4 17 0.48 0.65 0.14 0.17 Weak
562 Z147200608
T05
 0 -33.779 3.8491 -1.3492 6 16 0.50 0.65 0.29 0.33 Weak
563 Z14342059
T05
 0 -22.087 3.8601 -0.9169 8 13 0.58 0.65 0.14 0.17 Reject
564 Z16211652
T05
 0 -31.551 3.8613 -1.2028 4 13 0.58 0.65 0.14 0.33 Weak
565 ulfkktlib_1929
T05
 0 -27.379 3.8630 -1.1381 11 15 0.52 0.65 0.29 0.33 Weak
566 NMT-TY0545
T05
 0 -33.381 3.8919 -1.2478 14 17 0.62 0.76 0.43 0.50 Reject
567 Z275024592
T05
 0 -30.360 3.8956 -0.9757 6 14 0.55 0.65 0.14 0.17 Weak
568 KB_HAT_183
T05
 0 -28.508 3.9059 -0.9625 10 16 0.43 0.59 0.29 0.33 Weak
569 ulfkktlib_494
T05
 0 -24.930 3.9105 -1.5112 12 17 0.55 0.71 0.43 0.50 Weak
570 Z56779856
T05
 0 -27.858 3.9281 -0.9280 10 15 0.52 0.65 0.00 0.00 Reject
571 NMT-TY0567
T05
 0 -27.511 3.9404 -1.1823 5 15 0.52 0.65 0.29 0.33 Weak
572 Z49894309
T05
 0 -30.045 3.9415 -1.1170 6 14 0.63 0.71 0.29 0.33 Weak
573 OHD_TbNat_130
T05
 0 -23.304 3.9470 -0.5471 11 14 0.63 0.71 0.57 0.50 Reject
574 ulfkktlib_1862
T05
 0 -19.694 3.9817 -0.9226 10 17 0.55 0.71 0.29 0.33 Reject
575 Z31183768
T05
 0 -21.990 3.9890 -0.9474 7 10 0.59 0.59 0.29 0.33 Weak
576 KB_chagas_191
T05
 0 -28.115 3.9990 -1.1154 6 14 0.55 0.65 0.29 0.33 Weak
577 TC343
T05
 0 -23.838 4.0178 -0.8099 5 13 0.58 0.65 0.43 0.33 Weak
578 Z57786447
T05
 0 -25.420 4.0503 -1.2318 5 15 0.39 0.53 0.14 0.17 Weak
579 KB_HAT_24
T05
 0 -25.759 4.0580 -0.8351 6 15 0.60 0.71 0.57 0.67 Reject
580 Z728800606
T05
 0 -32.241 4.0609 -0.8416 13 15 0.60 0.71 0.43 0.50 Reject
581 Z56775819
T05
 0 -30.061 4.0647 -1.1679 6 15 0.52 0.65 0.29 0.50 Weak
582 Z27056998
T05
 0 -23.934 4.0834 -0.8304 6 12 0.53 0.59 0.29 0.33 Weak
583 Z32421752
T05
 0 -27.781 4.1445 -1.2393 10 16 0.50 0.65 0.14 0.33 Weak
584 Z32377576
T05
 0 -25.579 4.1449 -1.1117 12 17 0.55 0.71 0.43 0.33 Weak
585 Z19459210
T05
 0 -19.249 4.1532 -0.9042 9 13 0.58 0.65 0.14 0.17 Reject
586 Z19138088
T05
 0 -30.116 4.1608 -0.9932 5 15 0.60 0.71 0.14 0.17 Weak
587 TC271
T05
 0 -26.705 4.2150 -1.3374 8 11 0.40 0.47 0.29 0.50 Weak
588 KB_Leish_54
T05
 0 -27.247 4.2253 -1.0734 7 13 0.58 0.65 0.29 0.33 Weak
589 Z49606031
T05
 0 -34.867 4.2554 -1.0560 6 13 0.58 0.65 0.29 0.50 Reject
590 Z13702152
T05
 0 -24.988 4.2655 -0.8890 8 16 0.74 0.82 0.57 0.67 Reject
591 Z17617106
T05
 0 -22.276 4.2755 -0.8688 7 14 0.63 0.71 0.14 0.17 Weak
592 ulfkktlib_3001
T05
 0 -33.374 4.3081 -1.1681 6 11 0.56 0.59 0.29 0.33 Weak
593 Z1980898745
T05
 0 -28.780 4.3202 -1.1246 8 16 0.50 0.65 0.14 0.33 Weak
594 Z19696461
T05
 0 -27.553 4.3241 -1.1610 7 13 0.43 0.53 0.29 0.33 Weak
595 OHD_MAC_14
T05
 0 -25.087 4.3718 -0.8559 3 17 0.48 0.65 0.14 0.17 Reject
596 Z226217786
T05
 0 -36.088 4.4060 -1.3017 9 13 0.43 0.53 0.43 0.50 Reject
597 Z271078646
T05
 0 -27.166 4.4081 -1.1310 4 17 0.48 0.65 0.14 0.17 Reject
598 Z19576460
T05
 0 -25.484 4.4280 -0.9156 6 15 0.68 0.76 0.29 0.33 Weak
599 KB_chagas_212
T05
 0 -27.014 4.4415 -1.2169 11 18 0.52 0.71 0.43 0.50 Weak
600 Z19456272
T05
 0 -28.860 4.4847 -0.9898 6 13 0.58 0.65 0.14 0.17 Weak
601 KB_chagas_32
T05
 0 -19.621 4.4853 -1.0529 5 12 0.45 0.53 0.29 0.33 Weak
602 OHD_MAC_61
T05
 0 -24.634 4.5239 -1.0211 11 20 0.54 0.76 0.29 0.50 Reject
603 OHD_TB2020_45
T05
 0 -34.398 4.5715 -0.9252 5 18 0.59 0.76 0.29 0.33 Reject
604 Z31270742
T05
 0 -28.219 4.5950 -0.8422 10 14 0.63 0.71 0.14 0.33 Reject
605 ulfkktlib_2000
T05
 0 -29.398 4.5983 -1.0078 9 19 0.57 0.76 0.14 0.33 Weak
606 Z2065706280
T05
 0 -26.543 4.6027 -1.2601 4 12 0.53 0.59 0.14 0.17 Weak
607 OHD_TB2022_32
T05
 0 -18.663 4.6479 -1.0440 15 15 0.68 0.76 0.43 0.50 Reject
608 MK127
T05
 0 -26.461 4.6902 -1.1004 10 15 0.52 0.65 0.14 0.33 Reject
609 OHD_Leishmania_481
T05
 0 -26.416 4.6998 -1.0411 8 17 0.55 0.71 0.43 0.50 Weak
610 OHD_MAC_51
T05
 0 -24.651 4.7304 -0.9863 14 22 0.50 0.76 0.29 0.50 Reject
611 Z49692551
T05
 0 -18.479 4.7641 -1.0365 6 16 0.50 0.65 0.14 0.33 Reject
612 TC553
T05
 0 -25.997 4.8807 -1.1219 12 12 0.38 0.47 0.43 0.50 Weak
613 OHD_Leishmania_134
T05
 0 -30.369 4.8817 -0.9978 11 18 0.84 0.94 0.86 0.83 Reject
614 OHD_MAC_46
T05
 0 -27.380 4.9084 -1.1149 8 15 0.45 0.59 0.29 0.33 Weak
615 OHD_MAC_57
T05
 0 -27.056 4.9488 -0.8561 9 18 0.52 0.71 0.29 0.33 Reject
616 Z57907181
T05
 0 -26.353 4.9494 -0.8021 9 17 0.79 0.88 0.43 0.50 Reject
617 TC321
T05
 0 -23.241 5.1122 -0.7146 5 14 0.55 0.65 0.14 0.17 Reject
618 OHD_MAC_58
T05
 0 -28.668 5.1811 -0.8725 10 16 0.57 0.71 0.29 0.33 Reject
619 OHD_Leishmania_370
T05
 0 -25.573 5.2208 -0.7035 10 14 0.63 0.71 0.43 0.50 Reject
620 OHD_MAC_48
T05
 0 -28.880 5.3040 -1.0427 9 19 0.57 0.76 0.29 0.33 Reject
621 OHD_TB2022_28
T05
 0 -18.429 5.4469 -0.7002 13 22 0.62 0.88 0.57 0.50 Reject
622 OHD_MAC_60
T05
 0 -20.288 6.3510 -0.8570 10 17 0.55 0.71 0.29 0.33 Reject
623 ligand
T05
 0 - - - 9 17 1.00 1.00 1.00 1.00 Weak

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