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
640 ligands default: one best pose per compound ★ Native available
L. major DHFR-TS · T09
L. major
Protein: DHFR-thymidylate synthase (bifunctional)
Overall assessment for L. major DHFR-TS
Promising A large fraction of ligands carry geometry or contact-quality warnings, so this target needs more caution.
Open target report
0Strong
6Promising
367Weak
267Reject
640/640SASA ready
Good signs: Excellent LE (-1.010 kcal/mol/HA) · Good fit quality (FQ -8.91) · Deep burial (96% SASA buried)
Watch-outs: High strain energy (24.7 kcal/mol) · No H-bonds detected · Geometry warnings
# Compound Alt poses Score ▲ Final rank Inter norm H-bonds Contacts Jaccard Contact recall HB recall HB role recall Assessment ↕ GDS
1 Z29395300
T09
 0 -23.221 -0.0067 -1.1479 5 18 0.56 0.67 0.14 0.17 Weak —
2 OHD_Leishmania_350
T09
 0 -26.405 0.0260 -0.9105 1 20 0.64 0.76 0.14 0.17 Weak —
3 OHD_Leishmania_93
T09
 0 -27.632 0.0499 -1.2929 4 16 0.54 0.62 0.29 0.33 Weak —
4 ulfkktlib_912
T09
 0 -24.753 0.0914 -1.5267 4 14 0.46 0.52 0.14 0.17 Weak —
5 ulfkktlib_913
T09
 0 -24.191 0.1038 -1.4931 5 14 0.46 0.52 0.14 0.17 Weak —
6 Z20230911
T09
 0 -26.514 0.1454 -1.0277 5 15 0.50 0.57 0.00 0.00 Weak —
7 KB_HAT_83
T09
 0 -26.275 0.1904 -1.2177 5 19 0.60 0.71 0.14 0.33 Weak —
8 ulfkktlib_976
T09
 0 -25.097 0.1924 -1.1506 1 17 0.58 0.67 0.14 0.17 Weak —
9 KB_HAT_186
T09
 0 -24.329 0.2146 -1.1128 4 18 0.86 0.86 0.14 0.17 Weak —
10 Z31225409
T09
 0 -22.646 0.2160 -1.1050 5 15 0.50 0.57 0.14 0.17 Weak —
11 Z20229393
T09
 0 -27.875 0.2488 -1.1820 4 15 0.44 0.52 0.00 0.00 Weak SAFE
GDS₃ 0.396
P=64%
12 Z235511374
T09
 0 -24.140 0.2771 -1.1663 5 15 0.44 0.52 0.00 0.00 Weak —
13 OSA_Lib_67
T09
 0 -25.960 0.3179 -0.8763 0 19 0.82 0.86 0.00 0.00 Weak —
14 Z16042352
T09
 0 -24.465 0.3361 -1.1183 5 16 0.42 0.52 0.00 0.17 Weak —
15 Z151832316
T09
 0 -28.705 0.3976 -0.9076 4 18 0.56 0.67 0.00 0.00 Weak —
16 Z57017566
T09
 0 -19.676 0.4145 -0.7901 1 18 0.62 0.71 0.00 0.00 Reject —
17 ulfkktlib_3721
T09
 0 -24.796 0.4270 -0.7744 2 17 0.52 0.62 0.00 0.00 Reject —
18 TC271
T09
 0 -19.250 0.4571 -1.1812 10 16 0.61 0.67 0.14 0.17 Weak —
19 Z46033738
T09
 0 -25.973 0.4708 -1.2057 6 15 0.50 0.57 0.00 0.00 Weak —
20 OHD_TC1_22
T09
 0 -22.990 0.4815 -1.1202 4 16 0.42 0.52 0.00 0.00 Weak —
21 Z13784229
T09
 0 -30.291 0.5132 -1.1201 2 17 0.46 0.57 0.00 0.17 Weak —
22 OHD_ACDS_45
T09
 0 -23.406 0.5147 -0.8944 2 18 0.77 0.81 0.29 0.33 Weak —
23 Z19316194
T09
 0 -26.522 0.5414 -1.0232 2 14 0.40 0.48 0.00 0.00 Weak —
24 NMT-TY0575
T09
 0 -27.106 0.5548 -1.0519 10 13 0.31 0.38 0.00 0.17 Reject —
25 Z30538241
T09
 0 -29.031 0.5681 -0.9631 4 15 0.44 0.52 0.14 0.17 Weak —
26 OHD_DCM_35
T09
 0 -26.954 0.5757 -1.0889 8 14 0.40 0.48 0.00 0.17 Reject —
27 Z29524163
T09
 0 -25.091 0.5767 -1.1608 3 15 0.50 0.57 0.00 0.00 Reject SAFE
GDS₃ 0.400
P=75%
28 OHD_Babesia_41
T09
 0 -20.591 0.5780 -0.8710 2 17 0.52 0.62 0.00 0.00 Weak —
29 Z20248532
T09
 0 -23.942 0.5944 -0.7874 4 14 0.67 0.67 0.43 0.33 Weak —
30 TC410
T09
 0 -23.695 0.6143 -1.0021 7 19 0.54 0.67 0.14 0.33 Weak —
31 Z19729307
T09
 0 -26.022 0.6349 -1.0257 1 16 0.54 0.62 0.00 0.00 Weak SAFE
GDS₃ 0.377
P=51%
32 Z56902329
T09
 0 -22.195 0.6469 -1.0874 5 19 0.67 0.76 0.14 0.17 Reject —
33 OSA_Lib_61
T09
 0 -23.792 0.6550 -0.8452 0 19 0.82 0.86 0.00 0.00 Weak —
34 ulfkktlib_2579
T09
 0 -30.376 0.6568 -0.9254 1 19 0.60 0.71 0.00 0.00 Weak —
35 Z31121995
T09
 0 -21.378 0.6682 -1.1148 5 14 0.46 0.52 0.14 0.17 Reject —
36 KB_chagas_102
T09
 0 -26.543 0.6777 -0.8401 2 17 0.81 0.81 0.29 0.17 Weak SAFE
GDS₃ 0.516
P=76%
37 OSA_Lib_316
T09
 0 -30.286 0.6850 -1.0203 4 21 0.75 0.86 0.14 0.17 Weak —
38 ulfkktlib_180
T09
 0 -20.648 0.6857 -0.8110 2 17 0.52 0.62 0.00 0.00 Weak —
39 Z56773052
T09
 0 -16.180 0.6857 -0.9122 4 20 0.64 0.76 0.14 0.17 Weak —
40 OHD_TB2019_3
T09
 0 -25.140 0.6965 -0.8992 3 18 0.62 0.71 0.00 0.00 Weak —
41 GemmaOHDUnisi_36
T09
 0 -24.490 0.7097 -0.9287 6 14 0.40 0.48 0.29 0.33 Weak —
42 OSA_Lib_279
T09
 0 -25.580 0.7262 -0.8550 2 20 0.78 0.86 0.14 0.17 Weak —
43 Z24314037
T09
 0 -23.082 0.7596 -0.8161 5 15 0.38 0.48 0.00 0.00 Weak —
44 OHD_TB2021_45
T09
 0 -23.100 0.7700 -0.9917 1 16 0.54 0.62 0.00 0.00 Weak —
45 Z14342059
T09
 0 -21.739 0.7744 -0.8083 3 11 0.39 0.43 0.29 0.17 Weak SAFE
GDS₃ 0.323
P=62%
46 Z30341788
T09
 0 -23.540 0.7783 -0.7888 2 19 0.60 0.71 0.00 0.00 Reject —
47 OHD_Leishmania_3
T09
 0 -29.509 0.7937 -0.9065 1 20 0.71 0.81 0.14 0.17 Weak —
48 CKP-41
T09
 0 -26.847 0.8247 -0.7797 0 18 0.56 0.67 0.00 0.00 Weak SAFE
GDS₃ 0.350
P=60%
49 OSA_Lib_278
T09
 0 -23.509 0.8275 -0.8260 1 20 0.78 0.86 0.00 0.00 Weak —
50 OSA_Lib_272
T09
 0 -28.045 0.8278 -0.9212 1 20 0.78 0.86 0.00 0.00 Reject —
51 Z19574387
T09
 0 -25.352 0.8489 -0.9784 3 16 0.42 0.52 0.00 0.00 Weak SAFE
GDS₃ 0.342
P=78%
52 TC408
T09
 0 -31.686 0.8514 -1.0584 7 17 0.46 0.57 0.14 0.33 Reject —
53 MK16
T09
 0 -24.464 0.8703 -0.9086 4 18 0.56 0.67 0.29 0.33 Weak —
54 TC287
T09
 0 -23.939 0.8777 -1.6535 9 15 0.44 0.52 0.43 0.67 Promising —
55 TC409
T09
 0 -28.617 0.8809 -1.0921 6 17 0.52 0.62 0.14 0.33 Weak —
56 Z56838410
T09
 0 -27.784 0.8898 -1.0926 6 18 0.56 0.67 0.00 0.00 Weak —
57 OHD_ACDS_41
T09
 0 -25.162 0.8915 -0.8653 2 19 0.74 0.81 0.29 0.33 Weak —
58 Z29484725
T09
 0 -25.348 0.9072 -0.7755 2 19 0.60 0.71 0.00 0.00 Weak SAFE
GDS₃ 0.577
P=69%
59 KB_chagas_122
T09
 0 -25.434 0.9173 -0.8791 2 13 0.36 0.43 0.00 0.17 Weak —
60 Z14183817
T09
 0 -25.517 0.9224 -0.9570 4 14 0.40 0.48 0.00 0.00 Reject —
61 Z49606031
T09
 0 -28.711 0.9259 -1.0837 8 13 0.31 0.38 0.00 0.00 Reject —
62 Z64648195
T09
 0 -28.739 0.9323 -0.9489 6 17 0.52 0.62 0.00 0.00 Weak SAFE
GDS₃ 0.459
P=76%
63 MK211
T09
 0 -22.729 0.9326 -0.7945 5 18 0.62 0.71 0.29 0.33 Weak —
64 OHD_MV-37
T09
 0 -23.860 0.9498 -0.9437 5 13 0.31 0.38 0.00 0.00 Reject —
65 Z44856623
T09
 0 -27.487 0.9502 -0.8626 2 17 0.58 0.67 0.00 0.00 Weak —
66 KB_chagas_128
T09
 0 -24.033 0.9536 -0.7921 4 19 0.82 0.86 0.29 0.17 Weak —
67 Z45875055
T09
 0 -25.847 0.9689 -0.9340 4 16 0.48 0.57 0.00 0.00 Weak —
68 ulfkktlib_445
T09
 1
2 total
 -22.290 0.9729 -0.8814 1 19 0.60 0.71 0.14 0.17 Reject —
69 Z47741866
T09
 0 -24.463 0.9754 -1.0284 7 19 0.67 0.76 0.14 0.17 Reject —
70 Z234853480
T09
 0 -24.036 0.9817 -1.6526 8 15 0.38 0.48 0.00 0.17 Promising —
71 Z246803428
T09
 0 -22.108 0.9929 -1.1221 4 15 0.50 0.57 0.14 0.17 Reject SAFE
GDS₃ 0.468
P=82%
72 Z1820095916
T09
 0 -23.496 0.9939 -0.7760 2 16 0.61 0.67 0.29 0.17 Weak —
73 OHD_TC1_162
T09
 0 -25.030 0.9969 -1.0236 6 18 0.50 0.62 0.00 0.17 Reject —
74 Z16872527
T09
 0 -25.554 1.0035 -0.9015 1 17 0.52 0.62 0.00 0.00 Weak SAFE
GDS₃ 0.334
P=62%
75 OHD_ACDS_43
T09
 0 -25.140 1.0093 -0.8312 2 19 0.74 0.81 0.29 0.33 Weak —
76 Z19316134
T09
 0 -31.966 1.0100 -1.0085 3 20 0.71 0.81 0.14 0.17 Weak —
77 NMT-TY0977
T09
 0 -26.695 1.0140 -1.2742 9 14 0.40 0.48 0.00 0.17 Reject —
78 Z56850755
T09
 0 -24.154 1.0195 -0.9035 6 17 0.52 0.62 0.00 0.17 Reject —
79 Z46080225
T09
 0 -24.357 1.0305 -0.9294 2 17 0.52 0.62 0.00 0.00 Weak —
80 ulfkktlib_2313
T09
 0 -21.346 1.0322 -1.0204 5 15 0.44 0.52 0.00 0.17 Weak SAFE
GDS₃ 0.431
P=78%
81 Z33448659
T09
 0 -24.136 1.0367 -0.8277 2 19 0.67 0.76 0.00 0.17 Weak —
82 ulfkktlib_439
T09
 0 -25.928 1.0395 -0.7704 2 19 0.60 0.71 0.00 0.00 Weak —
83 Z28654534
T09
 0 -32.841 1.0458 -0.8276 4 17 0.73 0.76 0.14 0.17 Reject —
84 MK214
T09
 0 -25.193 1.0459 -0.9154 3 17 0.52 0.62 0.00 0.00 Weak —
85 Z89541367
T09
 0 -24.749 1.0538 -1.0141 4 18 0.70 0.76 0.14 0.17 Weak —
86 Z365029602
T09
 0 -20.775 1.0562 -1.0268 2 14 0.40 0.48 0.00 0.00 Weak —
87 ulfkktlib_215
T09
 0 -24.804 1.0580 -1.1962 7 16 0.42 0.52 0.00 0.17 Weak —
88 NMT-TY0975
T09
 0 -26.317 1.0629 -1.1161 9 14 0.40 0.48 0.00 0.17 Reject —
89 OSA_Lib_277
T09
 0 -24.630 1.0768 -0.7775 3 17 0.52 0.62 0.00 0.17 Reject —
90 Z18551701
T09
 0 -25.766 1.0838 -0.8602 1 18 0.77 0.81 0.14 0.17 Weak —
91 KB_HAT_128
T09
 0 -23.927 1.0975 -1.3270 5 15 0.44 0.52 0.43 0.50 Reject —
92 Z68347375
T09
 0 -26.717 1.1010 -0.9575 5 18 0.56 0.67 0.00 0.00 Reject —
93 Z79567126
T09
 0 -27.709 1.1074 -0.8354 4 17 0.52 0.62 0.00 0.00 Reject —
94 MK179
T09
 0 -23.061 1.1074 -0.9002 5 17 0.46 0.57 0.00 0.00 Reject —
95 OSA_Lib_301
T09
 0 -28.214 1.1079 -0.9217 4 19 0.74 0.81 0.14 0.17 Weak —
96 OHD_Leishmania_481
T09
 0 -26.270 1.1093 -0.8542 5 15 0.57 0.62 0.00 0.00 Weak —
97 Z111781472
T09
 0 -25.361 1.1143 -1.2796 6 17 0.58 0.67 0.43 0.50 Weak —
98 KB_Leish_187
T09
 0 -22.441 1.1269 -1.0784 6 16 0.48 0.57 0.00 0.17 Reject —
99 Z56815073
T09
 0 -26.729 1.1398 -0.8477 5 14 0.35 0.43 0.00 0.00 Reject —
100 Z49559949
T09
 0 -24.548 1.1608 -0.9880 5 12 0.32 0.38 0.00 0.17 Weak —
101 Z46078134
T09
 0 -28.647 1.1609 -0.9161 4 14 0.52 0.57 0.00 0.00 Weak —
102 NMT-TY0923
T09
 0 -29.632 1.1613 -0.9887 12 16 0.54 0.62 0.00 0.00 Reject —
103 KB_chagas_34
T09
 0 -20.094 1.1617 -0.8053 1 17 0.58 0.67 0.00 0.00 Weak —
104 OHD_DCM_34
T09
 0 -26.697 1.1658 -1.2856 8 14 0.40 0.48 0.00 0.17 Weak —
105 OHD_TB2024_6
T09
 0 -24.760 1.1686 -1.2211 10 16 0.48 0.57 0.29 0.50 Reject —
106 Z56574044
T09
 0 -25.164 1.1795 -0.7506 4 18 0.44 0.57 0.29 0.17 Weak —
107 Z1551967334
T09
 0 -30.632 1.1838 -0.6797 1 20 0.71 0.81 0.00 0.00 Weak —
108 Z25626530
T09
 0 -23.407 1.1839 -1.0115 4 14 0.40 0.48 0.00 0.17 Reject —
109 NMT-TY0606
T09
 0 -28.166 1.1936 -1.1110 10 15 0.38 0.48 0.00 0.17 Reject —
110 NMT-TY0625
T09
 0 -26.482 1.2182 -1.0654 10 13 0.36 0.43 0.00 0.17 Reject —
111 CKP-33
T09
 0 -26.179 1.2345 -0.7662 0 17 0.52 0.62 0.00 0.00 Reject —
112 Z237995644
T09
 0 -24.961 1.2383 -0.8797 3 14 0.40 0.48 0.00 0.00 Weak UNSAFE
GDS₃ 0.320
P=24%
113 KB_HAT_171
T09
 0 -22.295 1.2392 -0.8370 4 20 0.64 0.76 0.00 0.17 Reject —
114 OHD_Leishmania_466
T09
 0 -27.564 1.2456 -1.1808 5 15 0.38 0.48 0.00 0.00 Weak —
115 KB_chagas_173
T09
 0 -23.626 1.2695 -0.8546 2 18 0.56 0.67 0.00 0.00 Weak —
116 Z56900576
T09
 0 -22.377 1.2721 -1.0592 5 17 0.58 0.67 0.14 0.17 Reject —
117 ulfkktlib_874
T09
 0 -24.533 1.2792 -0.6659 4 19 0.60 0.71 0.43 0.33 Weak —
118 OHD_TB2020_10
T09
 0 -26.197 1.2846 -0.7888 1 19 0.74 0.81 0.14 0.17 Weak —
119 KB_HAT_8
T09
 0 -23.314 1.2877 -0.9024 6 16 0.48 0.57 0.00 0.00 Reject —
120 OHD_Leishmania_10
T09
 0 -23.731 1.2884 -1.1071 1 17 0.73 0.76 0.14 0.17 Weak —
121 MK205
T09
 0 -26.272 1.2910 -0.7518 1 17 0.58 0.67 0.00 0.00 Weak —
122 KB_Leish_176
T09
 0 -23.896 1.2959 -1.0063 5 15 0.44 0.52 0.00 0.17 Reject —
123 KB_chagas_54
T09
 0 -26.615 1.3147 -1.0423 3 19 0.82 0.86 0.14 0.17 Reject —
124 Z56958950
T09
 0 -27.867 1.3182 -0.7755 4 21 0.91 0.95 0.29 0.33 Reject —
125 KB_HAT_90
T09
 0 -23.448 1.3201 -0.8645 7 19 0.67 0.76 0.14 0.17 Reject —
126 Z56905026
T09
 0 -21.314 1.3240 -0.9753 8 18 0.56 0.67 0.14 0.33 Reject —
127 Z1431039903
T09
 0 -28.200 1.3293 -1.4830 5 16 0.54 0.62 0.43 0.50 Weak —
128 Z21485324
T09
 0 -23.160 1.3391 -1.2136 4 15 0.44 0.52 0.00 0.00 Weak UNSAFE
GDS₃ 0.357
P=11%
129 Z24585638
T09
 0 -18.079 1.3461 -0.8978 4 17 0.52 0.62 0.00 0.00 Weak SAFE
GDS₃ 0.407
P=76%
130 Z56784540
T09
 0 -20.985 1.3655 -0.8270 4 16 0.42 0.52 0.14 0.17 Reject —
131 OHD_TB2020_45
T09
 0 -26.904 1.3705 -0.7784 3 21 0.75 0.86 0.00 0.00 Reject —
132 Z237649744
T09
 0 -23.465 1.3775 -1.1367 4 15 0.50 0.57 0.14 0.17 Reject UNSAFE
GDS₃ 0.430
P=12%
133 Z56575886
T09
 0 -24.563 1.3891 -0.8776 3 17 0.46 0.57 0.00 0.00 Reject —
134 OHD_MAC_68
T09
 0 -16.745 1.4058 -0.7743 4 19 0.90 0.90 0.14 0.17 Reject —
135 OHD_Leishmania_406
T09
 1
2 total
 -23.329 1.4101 -0.9063 4 16 0.48 0.57 0.00 0.00 Reject —
136 Z56871323
T09
 0 -18.226 1.4115 -0.9466 4 15 0.33 0.43 0.00 0.17 Reject —
137 NMT-TY0939
T09
 0 -26.629 1.4156 -1.0324 12 15 0.38 0.48 0.00 0.17 Reject —
138 Z18509545
T09
 0 -21.955 1.4224 -0.8718 2 17 0.73 0.76 0.00 0.00 Reject —
139 MK210
T09
 0 -24.966 1.4294 -0.8509 9 18 0.56 0.67 0.29 0.33 Reject —
140 Z44856621
T09
 0 -26.492 1.4329 -0.7647 2 18 0.86 0.86 0.29 0.17 Reject —
141 Z56821783
T09
 0 -29.344 1.4431 -1.3428 6 16 0.48 0.57 0.00 0.00 Weak —
142 Z32749009
T09
 0 -21.521 1.4451 -0.8259 3 19 0.67 0.76 0.43 0.33 Reject —
143 OHD_ACDS_26
T09
 0 -24.947 1.4512 -1.1208 2 17 0.73 0.76 0.14 0.17 Weak —
144 Z49894254
T09
 0 -22.759 1.4520 -1.0747 5 14 0.40 0.48 0.00 0.00 Weak —
145 KB_Leish_3
T09
 0 -23.980 1.4602 -0.9859 6 14 0.40 0.48 0.00 0.00 Reject —
146 OSA_Lib_281
T09
 0 -23.248 1.4622 -0.8338 1 18 0.70 0.76 0.00 0.00 Weak —
147 Z44831334
T09
 0 -21.227 1.4674 -0.9519 6 17 0.41 0.52 0.00 0.00 Reject —
148 OHD_ACDS_37
T09
 0 -24.940 1.4675 -0.9582 2 19 0.82 0.86 0.14 0.17 Weak —
149 Z44847963
T09
 0 -22.555 1.4764 -0.9192 4 18 0.50 0.62 0.00 0.00 Weak —
150 Z56802793
T09
 0 -25.424 1.4778 -1.4036 5 15 0.44 0.52 0.00 0.00 Weak —
151 Z57457889
T09
 0 -28.168 1.4846 -0.9361 4 18 0.50 0.62 0.00 0.00 Reject —
152 OHD_TC1_133
T09
 0 -26.647 1.4848 -1.1431 3 20 0.86 0.90 0.14 0.17 Weak —
153 KB_HAT_67
T09
 0 -30.843 1.4856 -0.7924 1 18 0.62 0.71 0.00 0.00 Reject —
154 Z50086561
T09
 0 -24.413 1.4982 -1.1044 5 14 0.40 0.48 0.00 0.17 Reject —
155 ulfkktlib_2561
T09
 0 -27.958 1.4994 -0.8018 1 18 0.56 0.67 0.00 0.00 Weak —
156 ulfkktlib_975
T09
 0 -29.408 1.5111 -1.2862 2 17 0.58 0.67 0.14 0.17 Weak —
157 KB_HAT_172
T09
 0 -25.977 1.5202 -0.8382 5 17 0.46 0.57 0.00 0.17 Reject —
158 ulfkktlib_973
T09
 0 -29.205 1.5357 -1.2474 2 17 0.58 0.67 0.14 0.17 Weak —
159 Z32448862
T09
 0 -23.753 1.5396 -0.9081 3 18 0.77 0.81 0.29 0.17 Reject —
160 OHD_MV-46
T09
 0 -24.838 1.5404 -0.9540 7 20 0.58 0.71 0.43 0.50 Reject —
161 KB_Leish_18
T09
 0 -27.734 1.5439 -0.9579 3 18 0.56 0.67 0.00 0.00 Weak —
162 NMT-TY0576
T09
 0 -26.150 1.5510 -1.1585 10 14 0.40 0.48 0.00 0.17 Weak —
163 Z45635483
T09
 0 -23.723 1.5522 -1.0904 6 14 0.35 0.43 0.14 0.33 Reject —
164 Z1546624232
T09
 0 -20.994 1.5544 -0.7133 2 15 0.44 0.52 0.00 0.00 Reject —
165 Z57388199
T09
 0 -21.821 1.5630 -0.8691 6 17 0.46 0.57 0.14 0.17 Reject —
166 GemmaOHDUnisi_30
T09
 0 -25.023 1.5680 -1.2371 5 15 0.44 0.52 0.14 0.17 Weak —
167 Z20255081
T09
 0 -23.887 1.5683 -0.8946 4 14 0.40 0.48 0.00 0.00 Weak —
168 MK65
T09
 0 -24.619 1.5702 -1.2243 6 14 0.40 0.48 0.00 0.00 Promising —
169 Z45614029
T09
 0 -22.631 1.5831 -1.2088 10 14 0.40 0.48 0.14 0.33 Weak —
170 KB_HAT_40
T09
 0 -20.676 1.5833 -1.1599 1 17 0.58 0.67 0.14 0.17 Weak —
171 NMT-TY0941
T09
 0 -27.356 1.5850 -1.0819 10 14 0.40 0.48 0.00 0.17 Weak —
172 KB_Leish_47
T09
 0 -24.404 1.5860 -1.2146 5 15 0.38 0.48 0.00 0.17 Weak —
173 KB_Leish_8
T09
 0 -15.980 1.5974 -1.0971 5 16 0.76 0.76 0.43 0.50 Weak —
174 OHD_TC1_128
T09
 0 -24.400 1.6017 -0.8802 5 17 0.52 0.62 0.00 0.00 Reject —
175 Z29077896
T09
 0 -23.109 1.6035 -0.9094 2 16 0.76 0.76 0.29 0.17 Weak —
176 OHD_ACDS_48
T09
 0 -23.482 1.6117 -0.9430 2 18 0.77 0.81 0.14 0.17 Weak —
177 Z49595914
T09
 0 -30.842 1.6131 -0.6668 5 20 0.78 0.86 0.14 0.17 Reject —
178 KB_chagas_132
T09
 0 -28.316 1.6150 -0.9255 6 17 0.52 0.62 0.00 0.17 Reject —
179 OHD_ACDS_73
T09
 0 -24.601 1.6159 -0.8718 5 18 0.56 0.67 0.00 0.00 Weak —
180 Z19316089
T09
 0 -26.772 1.6179 -0.9395 4 19 0.60 0.71 0.00 0.00 Reject —
181 KB_HAT_116
T09
 0 -22.401 1.6195 -1.0130 6 18 0.44 0.57 0.00 0.00 Weak —
182 KB_HAT_157
T09
 0 -27.554 1.6277 -0.7021 2 19 0.60 0.71 0.00 0.00 Reject —
183 Z56833421
T09
 0 -27.514 1.6297 -1.0654 7 16 0.42 0.52 0.00 0.00 Weak —
184 Z49597668
T09
 0 -26.020 1.6310 -0.9195 7 18 0.44 0.57 0.00 0.00 Reject —
185 NMT-TY1002
T09
 0 -27.206 1.6371 -1.2038 10 14 0.40 0.48 0.00 0.17 Weak —
186 NMT-TY0949
T09
 0 -24.546 1.6376 -1.0269 9 15 0.38 0.48 0.00 0.17 Weak —
187 OHD_Leishmania_220
T09
 0 -21.608 1.6453 -0.7115 2 20 0.64 0.76 0.14 0.17 Reject SAFE
GDS₃ 0.327
P=48%
188 Z1939360435
T09
 0 -23.298 1.6486 -0.8672 5 19 0.60 0.71 0.00 0.17 Reject UNSAFE
GDS₃ 0.338
P=21%
189 OHD_ACDS_44
T09
 0 -25.248 1.6542 -0.9186 2 20 0.86 0.90 0.14 0.17 Weak —
190 Z49894143
T09
 0 -27.223 1.6573 -1.0962 4 16 0.48 0.57 0.00 0.17 Weak —
191 NMT-TY0577
T09
 0 -26.961 1.6639 -1.1777 10 12 0.32 0.38 0.00 0.17 Weak —
192 OSA_Lib_303
T09
 0 -26.023 1.6664 -0.8809 1 17 0.65 0.71 0.00 0.00 Weak —
193 Z57061994
T09
 0 -22.767 1.6698 -1.2994 6 17 0.52 0.62 0.14 0.17 Weak —
194 OHD_ACDS_39
T09
 0 -26.555 1.6720 -1.0060 2 19 0.82 0.86 0.14 0.17 Weak —
195 Z56779224
T09
 0 -20.160 1.6742 -1.2088 3 14 0.46 0.52 0.00 0.00 Weak —
196 Z226978722
T09
 0 -25.606 1.6763 -1.0151 1 18 0.77 0.81 0.14 0.17 Weak —
197 KB_Leish_2
T09
 0 -22.716 1.6777 -1.1290 5 15 0.38 0.48 0.00 0.17 Weak —
198 MK70
T09
 0 -19.495 1.6806 -1.0380 7 18 0.56 0.67 0.57 0.67 Weak —
199 OHD_MAC_47
T09
 0 -19.789 1.6823 -0.7802 7 22 0.72 0.86 0.43 0.33 Reject —
200 Z19650505
T09
 0 -25.373 1.6961 -1.1206 3 16 0.54 0.62 0.14 0.17 Weak —
201 Z18809786
T09
 0 -29.516 1.6966 -0.8108 3 18 0.56 0.67 0.00 0.00 Reject —
202 Z56071560
T09
 0 -23.373 1.6982 -0.7861 7 17 0.46 0.57 0.14 0.17 Reject —
203 Z2037279435
T09
 0 -22.231 1.7005 -0.8772 5 18 0.56 0.67 0.00 0.00 Reject —
204 NMT-TY0622
T09
 0 -28.679 1.7018 -1.1367 9 14 0.40 0.48 0.00 0.17 Weak —
205 TC343
T09
 0 -21.358 1.7020 -0.7307 7 14 0.40 0.48 0.29 0.33 Weak —
206 OSA_Lib_311
T09
 0 -26.799 1.7046 -0.5433 0 19 0.67 0.76 0.00 0.00 Reject —
207 OSA_Lib_273
T09
 0 -21.490 1.7093 -0.8629 1 19 0.67 0.76 0.00 0.00 Weak —
208 Z49605060
T09
 0 -26.387 1.7134 -1.0655 8 14 0.35 0.43 0.00 0.00 Weak —
209 MK172A
T09
 0 -23.897 1.7169 -0.8056 6 14 0.35 0.43 0.14 0.17 Weak —
210 Z55505580
T09
 0 -21.974 1.7171 -0.9919 4 16 0.48 0.57 0.00 0.00 Weak —
211 Z223039568
T09
 0 -22.976 1.7256 -1.1187 4 18 0.56 0.67 0.29 0.33 Reject —
212 Z44852102
T09
 0 -24.402 1.7288 -1.1063 5 14 0.40 0.48 0.29 0.33 Reject —
213 ulfkktlib_253
T09
 0 -24.350 1.7363 -0.8707 2 17 0.52 0.62 0.14 0.17 Reject —
214 Z27305363
T09
 0 -32.383 1.7488 -1.0586 2 20 0.71 0.81 0.14 0.17 Weak —
215 ulfkktlib_1319
T09
 1
2 total
 -26.564 1.7509 -1.0108 5 16 0.54 0.62 0.29 0.33 Weak —
216 NMT-TY0544
T09
 0 -25.825 1.7511 -1.2648 13 19 0.82 0.86 0.57 0.67 Weak —
217 Z49890534
T09
 0 -28.015 1.7532 -1.3855 7 15 0.50 0.57 0.14 0.17 Weak —
218 Z29294093
T09
 0 -46.328 1.7612 -0.7931 4 20 0.71 0.81 0.14 0.17 Weak —
219 CKP-35
T09
 0 -27.344 1.7674 -1.5169 4 16 0.48 0.57 0.00 0.00 Weak —
220 OHD_Leishmania_236
T09
 0 -17.652 1.7680 -1.0183 3 16 0.48 0.57 0.00 0.00 Weak SAFE
GDS₃ 0.398
P=79%
221 Z31287542
T09
 0 -23.773 1.7698 -0.7659 6 14 0.40 0.48 0.00 0.00 Weak —
222 NMT-TY0976
T09
 0 -29.626 1.7702 -1.0884 9 14 0.40 0.48 0.00 0.17 Reject —
223 OHD_TB2020_44
T09
 0 -25.568 1.7706 -0.7294 2 19 0.82 0.86 0.00 0.00 Reject —
224 Z966775152
T09
 0 -23.352 1.7746 -1.3497 7 13 0.42 0.48 0.00 0.17 Weak —
225 ulfkktlib_983
T09
 0 -26.359 1.7972 -1.1337 2 17 0.58 0.67 0.14 0.17 Weak —
226 Z49890540
T09
 0 -24.472 1.8006 -1.0567 5 11 0.23 0.29 0.00 0.00 Weak —
227 OSA_Lib_285
T09
 0 -25.647 1.8021 -0.8552 1 18 0.70 0.76 0.00 0.00 Weak —
228 Z31705620
T09
 0 -20.154 1.8057 -0.7200 4 15 0.33 0.43 0.14 0.17 Reject —
229 NMT-TY0617
T09
 0 -26.674 1.8092 -1.0382 10 13 0.36 0.43 0.00 0.17 Weak —
230 NMT-TY0538
T09
 0 -29.303 1.8111 -0.9768 14 19 0.90 0.90 0.57 0.67 Reject —
231 OHD_Leishmania_480
T09
 0 -28.956 1.8182 -0.8426 3 19 0.67 0.76 0.00 0.00 Reject —
232 OSA_Lib_304
T09
 0 -24.877 1.8196 -0.8788 1 17 0.65 0.71 0.00 0.00 Weak —
233 Z88883356
T09
 0 -23.460 1.8235 -1.1572 3 18 0.56 0.67 0.14 0.33 Weak —
234 OHD_ACDS_46
T09
 0 -25.615 1.8258 -0.7800 1 19 0.74 0.81 0.14 0.17 Weak —
235 Z1157834224
T09
 0 -22.639 1.8296 -0.9062 2 19 0.67 0.76 0.00 0.00 Weak —
236 OSA_Lib_314
T09
 0 -23.576 1.8305 -0.6206 1 19 0.54 0.67 0.00 0.00 Reject —
237 MK218
T09
 0 -28.415 1.8368 -0.9960 5 17 0.52 0.62 0.43 0.50 Weak —
238 Z46110225
T09
 0 -23.293 1.8386 -1.1136 3 14 0.40 0.48 0.00 0.00 Weak —
239 Z1431036083
T09
 0 -28.482 1.8393 -1.4360 4 17 0.58 0.67 0.43 0.50 Weak —
240 NMT-TY0940
T09
 0 -27.563 1.8410 -1.1405 10 15 0.38 0.48 0.00 0.17 Weak —
241 Z45614013
T09
 0 -22.944 1.8498 -1.2603 9 14 0.40 0.48 0.14 0.33 Weak —
242 OHD_ACDS_38
T09
 0 -22.477 1.8545 -0.9205 3 17 0.73 0.76 0.14 0.17 Weak —
243 KB_chagas_170
T09
 0 -31.871 1.8556 -1.1743 8 17 0.52 0.62 0.43 0.50 Weak —
244 OSA_Lib_315
T09
 0 -25.720 1.8680 -0.7529 1 19 0.60 0.71 0.00 0.00 Reject —
245 Z165051308
T09
 0 -18.987 1.8721 -0.9695 3 19 0.82 0.86 0.14 0.17 Weak —
246 Z30879401
T09
 0 -24.916 1.8766 -0.8212 4 18 0.77 0.81 0.43 0.50 Reject —
247 Z49618634
T09
 0 -26.680 1.8768 -1.3599 6 14 0.40 0.48 0.00 0.00 Weak —
248 OHD_ACDS_69
T09
 0 -21.310 1.8777 -0.8648 11 17 0.52 0.62 0.14 0.17 Reject —
249 ulfkktlib_994
T09
 0 -23.588 1.8821 -1.0551 1 16 0.48 0.57 0.00 0.00 Weak SAFE
GDS₃ 0.349
P=62%
250 Z31216321
T09
 0 -21.331 1.8841 -1.0912 5 16 0.54 0.62 0.00 0.00 Weak —
251 OHD_MAC_61
T09
 0 -21.220 1.8842 -0.7695 8 14 0.40 0.48 0.00 0.00 Reject —
252 ulfkktlib_995
T09
 0 -20.015 1.8962 -1.1220 1 16 0.54 0.62 0.00 0.00 Weak UNSAFE
GDS₃ 0.336
P=19%
253 NMT-TY0567
T09
 0 -28.491 1.8978 -1.1247 11 15 0.38 0.48 0.00 0.17 Weak —
254 Z56833821
T09
 0 -29.786 1.9005 -1.0487 4 16 0.42 0.52 0.00 0.17 Weak —
255 Z49558975
T09
 0 -25.568 1.9013 -1.0242 8 16 0.48 0.57 0.43 0.67 Weak —
256 NMT-TY0626
T09
 0 -26.978 1.9026 -1.1463 10 14 0.40 0.48 0.00 0.17 Weak —
257 Z56821488
T09
 0 -22.741 1.9080 -0.9363 2 16 0.54 0.62 0.29 0.17 Weak —
258 OSA_Lib_302
T09
 0 -23.901 1.9096 -0.9227 2 17 0.58 0.67 0.14 0.17 Weak —
259 Z116814534
T09
 0 -29.075 1.9230 -0.9187 5 15 0.44 0.52 0.00 0.00 Weak —
260 Z275023406
T09
 0 -27.568 1.9251 -1.0382 3 15 0.44 0.52 0.00 0.00 Weak —
261 Z56787095
T09
 0 -28.526 1.9323 -0.7176 3 21 0.83 0.90 0.29 0.17 Reject —
262 OHD_TB2021_31
T09
 0 -25.644 1.9397 -1.0183 2 16 0.54 0.62 0.00 0.00 Weak —
263 TC553
T09
 0 -28.722 1.9398 -1.1548 6 18 0.56 0.67 0.29 0.33 Weak —
264 Z56826892
T09
 0 -22.751 1.9436 -0.9147 6 18 0.56 0.67 0.14 0.17 Reject —
265 OHD_TB2019_1
T09
 0 -26.213 1.9507 -0.9790 4 20 0.71 0.81 0.14 0.33 Weak —
266 NMT-TY0549
T09
 0 -26.326 1.9620 -1.0778 11 17 0.52 0.62 0.00 0.00 Reject —
267 NMT-TY0607
T09
 0 -29.580 1.9632 -1.2319 9 14 0.40 0.48 0.00 0.17 Reject —
268 Z45901563
T09
 0 -24.807 1.9678 -0.9297 2 13 0.36 0.43 0.00 0.00 Weak —
269 Z56920485
T09
 0 -25.785 1.9772 -1.1770 7 18 0.62 0.71 0.14 0.33 Weak —
270 Z19315064
T09
 0 -28.571 1.9786 -0.8657 2 17 0.65 0.71 0.29 0.17 Weak —
271 MK217
T09
 0 -29.143 1.9838 -1.0748 4 17 0.46 0.57 0.00 0.00 Weak —
272 OHD_TB2022_45
T09
 0 -25.157 1.9865 -1.0912 10 17 0.81 0.81 0.57 0.67 Weak —
273 KB_chagas_164
T09
 0 -25.653 1.9890 -1.0779 6 14 0.40 0.48 0.00 0.00 Weak —
274 NMT-TY0921
T09
 0 -28.388 2.0008 -1.3145 12 15 0.38 0.48 0.00 0.17 Weak —
275 NMT-TY0624
T09
 0 -29.850 2.0028 -1.1499 9 14 0.40 0.48 0.00 0.17 Reject —
276 Z226983036
T09
 0 -24.832 2.0036 -1.0080 2 15 0.44 0.52 0.00 0.00 Weak SAFE
GDS₃ 0.317
P=76%
277 TC552
T09
 0 -16.156 2.0172 -1.0621 7 17 0.58 0.67 0.57 0.67 Reject —
278 Z44305789
T09
 0 -27.796 2.0183 -1.4761 3 15 0.44 0.52 0.14 0.17 Weak —
279 Z132930248
T09
 0 -23.432 2.0184 -1.0768 5 14 0.40 0.48 0.00 0.17 Reject UNSAFE
GDS₃ 0.431
P=36%
280 NMT-TY0555
T09
 0 -24.142 2.0214 -1.2826 8 15 0.44 0.52 0.14 0.33 Weak —
281 OHD_DCM_36
T09
 0 -28.305 2.0243 -1.1409 10 14 0.40 0.48 0.14 0.33 Reject —
282 NMT-TY0603
T09
 0 -27.430 2.0294 -1.0497 12 16 0.37 0.48 0.00 0.17 Reject —
283 KB_chagas_219
T09
 0 -20.509 2.0385 -0.9159 2 18 0.50 0.62 0.00 0.00 Reject —
284 OHD_ACDS_34
T09
 0 -26.244 2.0422 -0.9347 2 19 0.82 0.86 0.14 0.17 Weak —
285 Z169788636
T09
 0 -26.069 2.0440 -1.1001 2 16 0.48 0.57 0.00 0.00 Weak —
286 KB_Leish_40
T09
 0 -25.451 2.0469 -0.9502 4 20 0.71 0.81 0.00 0.00 Weak —
287 KB_HAT_152
T09
 0 -26.893 2.0469 -0.8669 3 14 0.25 0.33 0.29 0.17 Weak —
288 Z19138088
T09
 0 -19.751 2.0501 -0.7870 5 14 0.46 0.52 0.00 0.00 Reject —
289 KB_Leish_48
T09
 0 -26.009 2.0522 -1.0173 2 19 0.60 0.71 0.14 0.17 Weak —
290 Z56864520
T09
 0 -29.257 2.0602 -0.9481 6 11 0.33 0.38 0.29 0.17 Weak SAFE
GDS₃ 0.380
P=76%
291 Z32154728
T09
 0 -23.529 2.0658 -0.8091 3 15 0.44 0.52 0.00 0.00 Weak —
292 KB_chagas_146
T09
 0 -26.160 2.0661 -0.8449 4 17 0.58 0.67 0.29 0.17 Weak —
293 KB_chagas_35
T09
 0 -26.741 2.0663 -0.9142 4 19 0.74 0.81 0.14 0.17 Weak —
294 MK156
T09
 0 -19.793 2.0705 -0.9987 2 14 0.40 0.48 0.00 0.00 Weak —
295 Z49718975
T09
 0 -25.329 2.0710 -1.5256 9 15 0.44 0.52 0.43 0.67 Weak —
296 NMT-TY0929
T09
 0 -28.936 2.0823 -1.1332 12 15 0.38 0.48 0.00 0.17 Reject —
297 OHD_TB2022_44
T09
 0 -27.919 2.0910 -1.2461 10 18 0.77 0.81 0.57 0.67 Weak —
298 Z45534812
T09
 0 -25.208 2.0947 -0.9805 3 15 0.44 0.52 0.00 0.00 Weak SAFE
GDS₃ 0.385
P=79%
299 OHD_Babesia_43
T09
 0 -23.364 2.0974 -0.7880 1 19 0.82 0.86 0.14 0.17 Weak —
300 Z49620451
T09
 0 -23.530 2.1017 -0.9789 4 18 0.56 0.67 0.00 0.17 Weak —
301 Z1724000893
T09
 0 -23.659 2.1030 -1.1080 4 13 0.36 0.43 0.00 0.00 Weak UNSAFE
GDS₃ 0.411
P=12%
302 Z27831235
T09
 0 -21.918 2.1053 -0.7918 3 18 0.70 0.76 0.29 0.17 Reject —
303 OHD_DCM_33
T09
 0 -22.675 2.1073 -1.1104 6 11 0.23 0.29 0.00 0.17 Reject —
304 Z1521554012
T09
 0 -24.913 2.1077 -0.9292 3 15 0.50 0.57 0.00 0.00 Reject —
305 NMT-TY0704
T09
 0 -26.137 2.1084 -0.9994 8 14 0.40 0.48 0.00 0.17 Reject —
306 KB_HAT_48
T09
 0 -21.689 2.1158 -0.9609 8 18 0.77 0.81 0.43 0.50 Reject —
307 MK181
T09
 0 -26.165 2.1207 -0.7137 4 15 0.38 0.48 0.00 0.00 Reject —
308 Z49724748
T09
 0 -28.963 2.1250 -1.1205 5 14 0.40 0.48 0.00 0.00 Reject —
309 NMT-TY0169
T09
 0 -27.615 2.1361 -1.6385 9 15 0.50 0.57 0.43 0.50 Weak —
310 NMT-TY0614
T09
 0 -25.247 2.1395 -0.8179 5 15 0.50 0.57 0.29 0.17 Weak —
311 Z44848695
T09
 0 -29.016 2.1557 -0.8098 2 15 0.44 0.52 0.00 0.00 Weak —
312 NMT-TY0942
T09
 0 -26.910 2.1574 -0.9682 10 15 0.38 0.48 0.00 0.17 Reject —
313 Z55694322
T09
 0 -30.015 2.1579 -0.9356 4 17 0.52 0.62 0.00 0.00 Weak —
314 OHD_Leishmania_370
T09
 0 -25.503 2.1701 -0.6751 5 19 0.60 0.71 0.29 0.17 Reject —
315 Z56798659
T09
 0 -20.359 2.1730 -0.7873 2 17 0.52 0.62 0.00 0.00 Weak —
316 MK213
T09
 1
2 total
 -26.263 2.1733 -0.9396 3 17 0.46 0.57 0.00 0.00 Weak —
317 Z56811143
T09
 0 -25.988 2.1844 -0.9634 3 18 0.50 0.62 0.00 0.00 Weak —
318 OHD_TB2022_22
T09
 0 -26.065 2.1907 -0.9049 11 19 0.74 0.81 0.57 0.67 Reject —
319 Z426369012
T09
 0 -26.418 2.2073 -0.8918 4 16 0.48 0.57 0.00 0.00 Weak —
320 NMT-TY0663
T09
 0 -27.765 2.2125 -1.1049 9 14 0.40 0.48 0.00 0.17 Reject —
321 NMT-TY0701
T09
 0 -26.138 2.2126 -1.0036 10 15 0.38 0.48 0.00 0.17 Reject —
322 Z92330171
T09
 2
3 total
 -25.485 2.2132 -1.2383 4 17 0.46 0.57 0.00 0.00 Promising SAFE
GDS₃ 0.387
P=82%
323 Z45323237
T09
 0 -24.582 2.2137 -0.9369 3 15 0.50 0.57 0.00 0.00 Weak SAFE
GDS₃ 0.442
P=76%
324 Z57176222
T09
 0 -27.268 2.2138 -1.2136 10 16 0.54 0.62 0.29 0.33 Weak —
325 OHD_TB2022_31
T09
 0 -21.400 2.2232 -0.9496 16 21 0.56 0.71 0.14 0.17 Reject —
326 Z49597035
T09
 0 -30.435 2.2281 -0.9411 7 16 0.48 0.57 0.29 0.17 Weak —
327 Z16383985
T09
 0 -25.578 2.2282 -0.9349 4 14 0.35 0.43 0.00 0.00 Weak —
328 Z17969984
T09
 0 -20.747 2.2307 -0.9579 6 18 0.56 0.67 0.14 0.17 Reject —
329 OHD_TB2022_41
T09
 0 -26.745 2.2358 -1.1013 10 18 0.86 0.86 0.57 0.67 Weak —
330 OHD_MAC_21
T09
 0 -14.721 2.2445 -0.7985 4 15 0.33 0.43 0.00 0.00 Reject —
331 Z2755722093
T09
 0 -24.580 2.2498 -1.6159 5 16 0.42 0.52 0.00 0.00 Promising —
332 OHD_TB2022_34
T09
 0 -21.232 2.2529 -0.8814 2 18 0.77 0.81 0.14 0.17 Weak —
333 Z57705339
T09
 0 -23.878 2.2532 -1.1220 4 13 0.36 0.43 0.00 0.00 Weak SAFE
GDS₃ 0.397
P=34%
334 OHD_MAC_36
T09
 0 -20.496 2.2621 -0.9694 4 16 0.42 0.52 0.00 0.00 Weak —
335 Z19836822
T09
 0 -18.631 2.2634 -0.6159 4 18 0.62 0.71 0.43 0.33 Reject —
336 Z31100833
T09
 0 -24.793 2.2678 -0.9520 4 15 0.44 0.52 0.00 0.00 Weak SAFE
GDS₃ 0.463
P=77%
337 OHD_TB2020_9
T09
 0 -27.862 2.2691 -0.7696 3 17 0.46 0.57 0.14 0.17 Weak —
338 Z56908735
T09
 0 -23.924 2.2748 -0.8538 1 17 0.73 0.76 0.14 0.17 Weak —
339 KB_Leish_4
T09
 0 -22.081 2.2832 -0.8740 4 17 0.52 0.62 0.00 0.00 Weak SAFE
GDS₃ 0.407
P=72%
340 ulfkktlib_2139
T09
 0 -20.507 2.2875 -0.9727 6 15 0.38 0.48 0.00 0.00 Weak —
341 Z49605162
T09
 0 -27.142 2.2928 -0.8327 3 18 0.56 0.67 0.29 0.17 Weak —
342 KB_HAT_151
T09
 0 -23.022 2.2940 -0.7470 4 19 0.67 0.76 0.14 0.17 Reject —
343 NMT-TY0958
T09
 0 -32.068 2.2998 -1.0763 10 17 0.46 0.57 0.00 0.17 Reject —
344 NMT-TY0620
T09
 0 -25.368 2.3053 -0.8604 5 17 0.58 0.67 0.29 0.17 Reject —
345 TC428
T09
 0 -22.233 2.3119 -0.9833 7 17 0.58 0.67 0.57 0.67 Weak —
346 Z19160931
T09
 0 -22.793 2.3122 -0.9402 7 17 0.52 0.62 0.14 0.17 Weak —
347 Z25403655
T09
 0 -23.956 2.3158 -0.8730 4 14 0.40 0.48 0.00 0.17 Weak —
348 Z16072827
T09
 0 -26.614 2.3258 -0.8824 6 18 0.62 0.71 0.29 0.33 Reject —
349 OHD_TB2022_43
T09
 0 -26.582 2.3281 -1.2374 11 18 0.77 0.81 0.57 0.67 Weak —
350 Z26606975
T09
 0 -23.096 2.3337 -0.7193 2 18 0.70 0.76 0.29 0.33 Reject —
351 GemmaOHDUnisi_40
T09
 0 -21.559 2.3350 -0.8917 6 15 0.44 0.52 0.14 0.17 Weak —
352 Z56578031
T09
 0 -29.975 2.3354 -0.7659 2 20 0.71 0.81 0.14 0.17 Reject —
353 Z45413197
T09
 0 -27.689 2.3363 -0.9194 4 17 0.52 0.62 0.00 0.00 Weak UNSAFE
GDS₃ 0.468
P=29%
354 Z49646854
T09
 0 -26.068 2.3365 -1.1255 5 16 0.48 0.57 0.00 0.17 Weak —
355 Z28978240
T09
 0 -25.846 2.3470 -0.8513 4 13 0.31 0.38 0.00 0.17 Weak —
356 Z49734016
T09
 0 -24.472 2.3540 -0.9051 7 17 0.46 0.57 0.29 0.17 Weak —
357 NMT-TY0612
T09
 0 -25.134 2.3565 -0.8393 6 19 0.54 0.67 0.00 0.00 Reject —
358 Z2786555116
T09
 0 -24.485 2.3579 -0.8937 3 19 0.82 0.86 0.29 0.33 Reject —
359 Z56175908
T09
 0 -25.421 2.3614 -1.0183 3 20 0.58 0.71 0.14 0.17 Weak —
360 Z184977544
T09
 0 -26.484 2.3615 -1.0529 8 18 0.86 0.86 0.43 0.50 Weak —
361 NMT-TY0948
T09
 0 -25.390 2.3676 -1.0505 10 12 0.27 0.33 0.00 0.17 Reject —
362 Z19456393
T09
 1
2 total
 -23.288 2.3702 -0.8821 7 13 0.26 0.33 0.29 0.33 Weak SAFE
GDS₃ 0.389
P=61%
363 NMT-TY0673
T09
 0 -28.053 2.3825 -1.0624 9 15 0.38 0.48 0.00 0.17 Reject —
364 OHD_MAC_38
T09
 0 -20.279 2.3991 -0.9419 2 14 0.40 0.48 0.00 0.00 Weak —
365 Z56932065
T09
 0 -28.114 2.4035 -1.1423 6 19 0.54 0.67 0.00 0.17 Weak —
366 Z223755400
T09
 0 -27.237 2.4105 -0.9092 4 19 0.67 0.76 0.00 0.00 Weak —
367 OHD_TB2022_42
T09
 0 -25.281 2.4123 -1.2250 10 19 0.82 0.86 0.57 0.67 Weak —
368 Z46589685
T09
 0 -24.514 2.4137 -0.9618 5 20 0.58 0.71 0.00 0.00 Weak —
369 KB_chagas_67
T09
 0 -26.976 2.4164 -0.8963 3 16 0.42 0.52 0.00 0.00 Weak —
370 Z56815608
T09
 0 -28.765 2.4179 -1.0263 7 18 0.44 0.57 0.00 0.17 Reject —
371 OHD_TB2019_4
T09
 0 -22.479 2.4303 -0.7212 2 20 0.71 0.81 0.14 0.17 Weak —
372 KB_chagas_49
T09
 0 -24.841 2.4316 -0.9729 4 11 0.33 0.38 0.29 0.17 Weak —
373 Z27832296
T09
 0 -25.657 2.4376 -0.8110 2 20 0.78 0.86 0.29 0.17 Reject —
374 KB_HAT_38
T09
 0 -25.736 2.4405 -0.8363 5 21 0.56 0.71 0.00 0.00 Weak —
375 Z31238000
T09
 0 -22.887 2.4414 -0.8139 3 13 0.36 0.43 0.00 0.00 Weak —
376 Z237576524
T09
 0 -26.067 2.4489 -1.1876 4 15 0.44 0.52 0.00 0.00 Weak —
377 MK47
T09
 0 -27.449 2.4491 -1.1749 11 14 0.46 0.52 0.43 0.50 Promising —
378 NMT-TY0943
T09
 0 -26.995 2.4531 -0.9310 10 12 0.38 0.43 0.00 0.17 Reject —
379 MK219
T09
 0 -20.296 2.4599 -0.8407 7 18 0.62 0.71 0.43 0.50 Weak —
380 KB_chagas_101
T09
 0 -22.855 2.4602 -0.8996 5 15 0.44 0.52 0.00 0.00 Weak SAFE
GDS₃ 0.557
P=79%
381 Z44825913
T09
 0 -25.554 2.4645 -0.8322 1 18 0.50 0.62 0.00 0.00 Weak —
382 TC342
T09
 0 -18.124 2.4848 -0.6937 9 22 0.72 0.86 0.57 0.67 Reject —
383 OHD_MAC_72
T09
 0 -24.896 2.4870 -0.9805 6 15 0.44 0.52 0.29 0.33 Weak —
384 Z46033750
T09
 0 -27.509 2.4959 -1.0235 7 15 0.44 0.52 0.29 0.17 Weak —
385 OHD_Leishmania_238
T09
 0 -26.459 2.4992 -0.7555 3 17 0.52 0.62 0.00 0.00 Reject —
386 Z57985071
T09
 0 -21.937 2.4996 -0.7687 5 20 0.58 0.71 0.14 0.17 Weak —
387 KB_Leish_181
T09
 0 -25.288 2.5031 -0.8002 3 18 0.56 0.67 0.00 0.00 Weak —
388 GemmaOHDUnisi_41
T09
 0 -29.637 2.5107 -0.8193 5 17 0.41 0.52 0.00 0.00 Weak —
389 OHD_MV-39
T09
 0 -24.979 2.5110 -0.9634 7 19 0.38 0.52 0.00 0.00 Reject —
390 MK164
T09
 0 -23.285 2.5147 -0.6494 4 16 0.42 0.52 0.00 0.00 Reject —
391 Z27504791
T09
 0 -27.226 2.5152 -1.0391 6 20 0.64 0.76 0.00 0.00 Weak —
392 Z56911531
T09
 0 -30.890 2.5188 -1.2362 7 18 0.62 0.71 0.00 0.17 Weak —
393 Z56792295
T09
 0 -26.180 2.5210 -1.1482 7 14 0.35 0.43 0.00 0.17 Reject —
394 Z49907521
T09
 0 -25.351 2.5215 -1.0966 4 17 0.52 0.62 0.00 0.00 Weak —
395 OHD_MV-45
T09
 0 -27.515 2.5218 -1.0054 7 16 0.32 0.43 0.00 0.00 Reject —
396 Z26394837
T09
 0 -25.416 2.5281 -0.9977 5 14 0.40 0.48 0.00 0.00 Weak —
397 NMT-TY0541
T09
 0 -19.347 2.5370 -1.0972 9 17 0.46 0.57 0.14 0.33 Weak —
398 Z56891526
T09
 0 -20.980 2.5479 -1.3466 8 15 0.44 0.52 0.14 0.17 Weak —
399 MK189
T09
 0 -21.837 2.5577 -0.9161 5 18 0.56 0.67 0.00 0.00 Reject —
400 KB_Leish_74
T09
 0 -22.861 2.5590 -0.8392 3 18 0.50 0.62 0.00 0.00 Reject —
401 NMT-TY0924
T09
 0 -27.073 2.5593 -1.1728 6 10 0.24 0.29 0.29 0.33 Weak —
402 KB_Leish_141
T09
 0 -22.461 2.5640 -0.9483 4 19 0.60 0.71 0.00 0.00 Weak UNSAFE
GDS₃ 0.412
P=47%
403 OHD_ACDS_32
T09
 0 -24.773 2.5686 -0.9613 2 19 0.82 0.86 0.14 0.17 Weak —
404 TC551
T09
 0 -30.475 2.5703 -1.3318 8 19 0.54 0.67 0.29 0.33 Weak —
405 OHD_TB2020_54
T09
 0 -22.530 2.5706 -0.6159 4 16 0.28 0.38 0.00 0.00 Reject —
406 KB_HAT_176
T09
 0 -44.800 2.5897 -0.7934 7 19 0.67 0.76 0.29 0.17 Weak —
407 Z31076755
T09
 0 -26.843 2.6126 -1.2111 4 13 0.36 0.43 0.00 0.00 Weak UNSAFE
GDS₃ 0.385
P=39%
408 Z275021378
T09
 0 -25.707 2.6128 -0.8506 3 15 0.44 0.52 0.00 0.00 Weak SAFE
GDS₃ 0.356
P=74%
409 Z19574276
T09
 0 -23.963 2.6132 -0.9424 5 16 0.42 0.52 0.00 0.17 Weak —
410 Z49620424
T09
 0 -29.529 2.6141 -1.0147 5 16 0.48 0.57 0.00 0.17 Weak —
411 Z56774554
T09
 0 -28.254 2.6142 -0.9475 2 17 0.52 0.62 0.00 0.00 Weak —
412 Z31546662
T09
 0 -30.962 2.6231 -0.8269 3 19 0.74 0.81 0.29 0.17 Weak —
413 KB_Leish_32
T09
 0 -24.138 2.6334 -0.8175 2 19 0.67 0.76 0.29 0.17 Reject —
414 OHD_MAC_51
T09
 0 -19.711 2.6334 -0.7987 4 14 0.35 0.43 0.00 0.00 Reject —
415 KB_HAT_181
T09
 0 -25.663 2.6386 -1.0151 7 16 0.76 0.76 0.71 0.67 Weak —
416 OHD_Leishmania_441
T09
 0 -26.925 2.6480 -0.8891 2 20 0.86 0.90 0.14 0.17 Weak —
417 Z1037335854
T09
 0 -25.237 2.6549 -1.6040 7 15 0.38 0.48 0.00 0.17 Weak —
418 OHD_TC1_54
T09
 0 -26.527 2.6549 -0.7655 5 19 0.90 0.90 0.29 0.17 Reject —
419 OHD_Leishmania_440
T09
 0 -25.616 2.6603 -0.7933 2 19 0.82 0.86 0.14 0.17 Weak —
420 Z1541759501
T09
 0 -23.926 2.6772 -0.8402 7 16 0.42 0.52 0.14 0.17 Weak —
421 TC490
T09
 0 -25.215 2.6772 -0.9190 2 18 0.50 0.62 0.00 0.00 Weak —
422 Z56768366
T09
 0 -24.051 2.6989 -0.9099 6 16 0.42 0.52 0.00 0.00 Weak —
423 OHD_MV-44
T09
 0 -25.783 2.7155 -0.9467 7 16 0.32 0.43 0.00 0.00 Reject —
424 NMT-TY0920
T09
 0 -28.020 2.7355 -0.9460 7 18 0.56 0.67 0.00 0.00 Weak —
425 OHD_DCM_37
T09
 0 -35.575 2.7414 -1.3389 8 15 0.44 0.52 0.00 0.17 Reject —
426 Z56802867
T09
 0 -17.246 2.7463 -0.8192 7 13 0.36 0.43 0.00 0.17 Reject —
427 OHD_ACDS_36
T09
 0 -22.653 2.7470 -0.9048 2 20 0.86 0.90 0.14 0.17 Weak —
428 OHD_TB2024_10
T09
 0 -24.652 2.7471 -1.0079 12 18 0.62 0.71 0.57 0.67 Reject —
429 OHD_Leishmania_129
T09
 0 -26.723 2.7578 -0.8885 12 18 0.70 0.76 0.71 0.83 Reject —
430 OHD_TB2022_21
T09
 0 -19.327 2.7698 -0.6852 4 15 0.33 0.43 0.14 0.17 Weak —
431 KB_chagas_165
T09
 0 -22.037 2.7733 -0.9538 8 18 0.56 0.67 0.43 0.50 Weak —
432 Z49597823
T09
 0 -29.002 2.7912 -0.7332 4 18 0.50 0.62 0.00 0.00 Reject —
433 TC394
T09
 0 -29.038 2.7943 -0.9920 5 18 0.50 0.62 0.00 0.00 Weak —
434 MK153
T09
 0 -25.972 2.7972 -1.0200 4 17 0.46 0.57 0.00 0.00 Weak —
435 Z20240762
T09
 0 -28.003 2.8008 -0.7672 4 15 0.50 0.57 0.29 0.17 Weak —
436 Z31545384
T09
 0 -24.671 2.8163 -0.8309 4 15 0.50 0.57 0.29 0.17 Reject —
437 NMT-TY0645
T09
 0 -26.209 2.8169 -0.7634 9 19 0.54 0.67 0.00 0.00 Reject —
438 Z49610429
T09
 0 -26.260 2.8226 -1.0218 9 16 0.42 0.52 0.29 0.50 Reject —
439 Z16287399
T09
 0 -15.658 2.8340 -0.7566 6 13 0.36 0.43 0.29 0.17 Reject —
440 TC288
T09
 0 -26.055 2.8341 -0.9851 4 17 0.52 0.62 0.00 0.00 Weak —
441 Z57300846
T09
 0 -24.285 2.8483 -0.9255 6 16 0.48 0.57 0.00 0.00 Weak —
442 NMT-TY0680
T09
 0 -31.678 2.8489 -0.9031 9 16 0.42 0.52 0.00 0.17 Reject —
443 TC369
T09
 0 -27.480 2.8678 -1.0360 4 17 0.46 0.57 0.00 0.00 Reject —
444 Z46041679
T09
 0 -19.021 2.8684 -0.9388 4 16 0.42 0.52 0.00 0.00 Weak —
445 Z30492838
T09
 0 -25.687 2.8698 -0.9168 3 21 0.75 0.86 0.14 0.17 Weak —
446 OHD_Leishmania_291
T09
 0 -24.439 2.8723 -0.6358 4 17 0.52 0.62 0.14 0.17 Reject —
447 KB_chagas_104
T09
 0 -23.168 2.8731 -0.7492 5 13 0.31 0.38 0.29 0.17 Reject SAFE
GDS₃ 0.485
P=76%
448 Z26548007
T09
 0 -25.764 2.8733 -0.8339 2 17 0.73 0.76 0.14 0.17 Weak —
449 KB_HAT_17
T09
 0 -22.243 2.8764 -0.9224 5 19 0.54 0.67 0.00 0.17 Reject —
450 OHD_Leishmania_439
T09
 0 -19.771 2.8786 -0.8139 2 20 0.86 0.90 0.14 0.17 Weak —
451 Z56569637
T09
 0 -27.515 2.8898 -0.7128 2 16 0.48 0.57 0.29 0.17 Reject —
452 Z277540138
T09
 0 -27.018 2.8906 -0.8047 6 15 0.38 0.48 0.00 0.17 Reject —
453 OHD_ACDS_33
T09
 0 -25.406 2.8924 -0.9173 2 19 0.82 0.86 0.14 0.17 Weak —
454 OHD_MAC_67
T09
 0 -26.052 2.8926 -0.8794 3 18 0.86 0.86 0.43 0.33 Reject —
455 Z57183373
T09
 0 -24.220 2.8961 -1.2135 8 14 0.46 0.52 0.14 0.33 Weak —
456 Z26395442
T09
 0 -23.533 2.8993 -1.2223 7 17 0.46 0.57 0.00 0.17 Weak —
457 Z56935963
T09
 0 -22.442 2.9019 -1.0851 11 19 0.48 0.62 0.00 0.17 Reject —
458 Z15584023
T09
 0 -26.076 2.9022 -0.8380 4 20 0.64 0.76 0.14 0.17 Reject —
459 OHD_MV-40
T09
 0 -24.596 2.9046 -0.8705 8 18 0.34 0.48 0.00 0.00 Reject —
460 MK2
T09
 0 -26.014 2.9072 -0.8289 6 18 0.56 0.67 0.14 0.17 Reject —
461 OHD_TB2022_12
T09
 0 -24.725 2.9162 -0.6534 3 17 0.31 0.43 0.14 0.17 Weak —
462 OSA_Lib_205
T09
 0 -20.475 2.9209 -0.8953 3 22 0.54 0.71 0.43 0.50 Reject —
463 Z87656593
T09
 0 -23.275 2.9311 -0.9268 7 16 0.61 0.67 0.71 0.67 Weak —
464 Z56842317
T09
 0 -23.003 2.9317 -0.9462 4 10 0.19 0.24 0.00 0.00 Reject —
465 OHD_Schistosoma_119
T09
 0 -26.030 2.9344 -1.0358 5 16 0.54 0.62 0.14 0.17 Reject —
466 NMT-TY0829
T09
 0 -24.996 2.9389 -0.7106 5 15 0.50 0.57 0.29 0.33 Reject —
467 Z50138312
T09
 0 -25.443 2.9402 -0.7988 1 18 0.56 0.67 0.14 0.17 Weak —
468 Z19455379
T09
 0 -26.357 2.9519 -1.1644 6 15 0.44 0.52 0.14 0.17 Weak —
469 KB_HAT_106
T09
 0 -24.731 2.9568 -1.1008 7 14 0.35 0.43 0.00 0.00 Weak —
470 KB_chagas_131
T09
 0 -25.281 2.9685 -0.6769 2 15 0.29 0.38 0.14 0.17 Weak —
471 NMT-TY0616
T09
 0 -28.068 2.9711 -1.1031 11 15 0.38 0.48 0.00 0.17 Reject —
472 MK160
T09
 0 -26.894 2.9734 -0.9603 4 17 0.52 0.62 0.00 0.00 Weak —
473 Z56940509
T09
 0 -28.069 2.9779 -1.0269 5 14 0.40 0.48 0.00 0.00 Weak —
474 KB_Leish_188
T09
 0 -26.312 2.9787 -0.7768 5 17 0.46 0.57 0.00 0.17 Reject —
475 Z31287534
T09
 0 -24.716 2.9853 -0.6738 3 15 0.29 0.38 0.29 0.17 Reject —
476 NMT-TY0927
T09
 0 -28.868 2.9900 -1.3197 11 16 0.37 0.48 0.00 0.17 Weak —
477 Z56821211
T09
 0 -25.651 2.9992 -1.1120 5 14 0.40 0.48 0.14 0.33 Weak —
478 TC265
T09
 0 -15.781 3.0001 -0.4794 9 22 0.54 0.71 0.29 0.33 Reject —
479 Z16042263
T09
 0 -21.645 3.0041 -0.8371 2 18 0.50 0.62 0.00 0.00 Weak —
480 OHD_Babesia_53
T09
 0 -25.501 3.0086 -0.6879 5 14 0.40 0.48 0.14 0.17 Reject —
481 OHD_Leishmania_133
T09
 0 -28.494 3.0100 -0.7471 8 14 0.40 0.48 0.43 0.33 Reject —
482 Z31287535
T09
 0 -19.232 3.0101 -0.7078 2 21 0.68 0.81 0.14 0.17 Reject —
483 KB_Leish_36
T09
 1
2 total
 -31.034 3.0202 -1.0648 6 17 0.52 0.62 0.00 0.00 Weak —
484 TC488
T09
 0 -21.097 3.0209 -0.7657 8 15 0.50 0.57 0.29 0.17 Reject —
485 Z1541638525
T09
 0 -25.198 3.0309 -0.8901 5 17 0.65 0.71 0.00 0.00 Reject —
486 KB_HAT_113
T09
 0 -22.184 3.0363 -1.0271 7 19 0.48 0.62 0.14 0.33 Weak —
487 TC487
T09
 0 -25.921 3.0411 -0.9751 4 18 0.50 0.62 0.00 0.00 Reject —
488 Z18477782
T09
 0 -34.212 3.0483 -0.9923 5 21 0.75 0.86 0.14 0.17 Reject —
489 KB_HAT_92
T09
 0 -27.562 3.0490 -0.7968 4 19 0.60 0.71 0.00 0.00 Weak —
490 OHD_Leishmania_499
T09
 0 -20.571 3.0517 -0.7661 5 20 0.52 0.67 0.00 0.17 Weak —
491 TC426
T09
 0 -24.070 3.0539 -1.0857 8 17 0.58 0.67 0.57 0.67 Reject —
492 NMT-TY1004
T09
 0 -28.486 3.0588 -1.2939 11 14 0.40 0.48 0.00 0.17 Weak —
493 TC491
T09
 0 -23.764 3.0677 -0.7065 7 15 0.50 0.57 0.29 0.17 Weak —
494 Z49605089
T09
 0 -22.841 3.0695 -0.8871 6 17 0.46 0.57 0.00 0.17 Reject —
495 Z49628521
T09
 0 -21.378 3.0781 -1.1265 6 13 0.42 0.48 0.00 0.17 Reject —
496 MK151
T09
 0 -26.428 3.0865 -0.9415 4 18 0.50 0.62 0.00 0.00 Weak —
497 NMT-TY0409
T09
 0 -26.380 3.0931 -1.3074 9 14 0.40 0.48 0.14 0.33 Weak —
498 KB_HAT_138
T09
 0 -24.064 3.0999 -0.8819 3 20 0.86 0.90 0.43 0.33 Weak —
499 OHD_ACDS_72
T09
 0 -22.900 3.1071 -0.8657 10 18 0.56 0.67 0.14 0.17 Reject —
500 OHD_TC2_13
T09
 0 -13.329 3.1273 -0.5012 4 20 0.52 0.67 0.00 0.00 Reject —
501 Z49580011
T09
 0 -26.868 3.1336 -1.1831 7 15 0.44 0.52 0.00 0.17 Reject —
502 Z56887099
T09
 0 -22.718 3.1389 -0.7856 3 16 0.37 0.48 0.00 0.00 Reject —
503 Z56958949
T09
 0 -29.412 3.1415 -0.8940 3 17 0.81 0.81 0.43 0.33 Reject —
504 OHD_Leishmania_130
T09
 0 -21.560 3.1438 -0.7280 10 20 0.71 0.81 0.57 0.67 Reject —
505 Z49628846
T09
 0 -21.745 3.1459 -1.0686 5 14 0.46 0.52 0.00 0.17 Weak —
506 NMT-TY0980
T09
 0 -28.564 3.1491 -1.2274 8 12 0.32 0.38 0.00 0.17 Weak —
507 Z18970050
T09
 0 -24.000 3.1551 -0.9750 3 15 0.38 0.48 0.00 0.00 Weak —
508 MK220
T09
 0 -20.106 3.1654 -0.8021 3 19 0.60 0.71 0.14 0.17 Weak —
509 Z16078173
T09
 0 -23.401 3.1700 -1.0367 4 18 0.62 0.71 0.14 0.17 Reject —
510 NMT-TY0608
T09
 0 -28.298 3.1767 -1.1623 10 14 0.35 0.43 0.00 0.17 Weak —
511 GemmaOHDUnisi_26
T09
 0 -27.247 3.1778 -1.1462 9 16 0.42 0.52 0.14 0.17 Weak —
512 MK212
T09
 0 -22.657 3.1853 -0.9084 5 17 0.58 0.67 0.14 0.17 Weak —
513 Z45614063
T09
 0 -24.881 3.1869 -1.0591 5 18 0.50 0.62 0.00 0.00 Weak —
514 Z44866976
T09
 0 -27.106 3.2046 -0.9283 6 15 0.29 0.38 0.29 0.17 Weak —
515 Z28654383
T09
 0 -35.204 3.2088 -0.8775 3 17 0.73 0.76 0.29 0.17 Reject —
516 Z2752015126
T09
 0 -21.604 3.2237 -1.0622 7 17 0.65 0.71 0.29 0.33 Reject —
517 NMT-TY0945
T09
 0 -30.536 3.2473 -1.2600 11 14 0.40 0.48 0.00 0.17 Reject —
518 OHD_TB2022_38
T09
 0 -22.839 3.2476 -0.6328 1 20 0.71 0.81 0.14 0.17 Weak —
519 NMT-TY0919
T09
 0 -28.491 3.2544 -1.0991 12 15 0.38 0.48 0.00 0.17 Reject —
520 NMT-TY0938
T09
 0 -29.207 3.2554 -1.2278 10 11 0.28 0.33 0.00 0.17 Weak —
521 NMT-TY0609
T09
 0 -26.876 3.2557 -1.0916 9 15 0.38 0.48 0.00 0.17 Reject —
522 MK178
T09
 0 -25.137 3.2590 -1.0482 8 17 0.52 0.62 0.43 0.50 Weak —
523 OHD_TC1_242
T09
 0 -15.549 3.2645 -0.5839 2 18 0.50 0.62 0.00 0.17 Reject —
524 Z286182030
T09
 0 -26.936 3.2653 -1.2837 11 15 0.44 0.52 0.43 0.67 Weak —
525 NMT-TY0931
T09
 0 -38.523 3.2778 -1.3256 13 16 0.42 0.52 0.00 0.17 Reject —
526 OHD_TbNat_16
T09
 0 -25.908 3.2864 -0.7253 7 15 0.50 0.57 0.43 0.33 Reject —
527 OHD_MAC_71
T09
 0 -26.656 3.2926 -0.9689 3 14 0.40 0.48 0.00 0.00 Weak —
528 OHD_MAC_27
T09
 0 -19.302 3.2956 -0.8858 6 16 0.42 0.52 0.00 0.17 Reject —
529 Z45637008
T09
 0 -21.384 3.3178 -0.8790 5 15 0.44 0.52 0.00 0.17 Weak —
530 MK152
T09
 0 -29.076 3.3242 -0.9620 9 17 0.52 0.62 0.43 0.50 Weak —
531 OHD_MAC_7
T09
 0 -25.376 3.3281 -0.9442 8 17 0.46 0.57 0.14 0.17 Weak —
532 OHD_MAC_48
T09
 0 -20.838 3.3315 -0.7605 6 17 0.52 0.62 0.29 0.33 Reject —
533 NMT-TY0930
T09
 0 -26.804 3.3509 -1.0967 8 11 0.23 0.29 0.29 0.33 Weak —
534 Z647978630
T09
 0 -23.369 3.3547 -1.2240 5 14 0.46 0.52 0.14 0.33 Weak —
535 NMT-TY1001
T09
 0 -27.568 3.3550 -1.1243 10 14 0.40 0.48 0.00 0.17 Weak —
536 KB_Leish_184
T09
 0 -29.733 3.3666 -1.2140 4 18 0.56 0.67 0.29 0.33 Weak —
537 Z16286645
T09
 0 -25.904 3.3669 -0.8187 4 17 0.65 0.71 0.43 0.33 Reject —
538 NMT-TY0601
T09
 0 -30.855 3.3721 -0.9840 11 15 0.38 0.48 0.00 0.17 Reject —
539 Z275145784
T09
 0 -27.543 3.3782 -1.0611 10 17 0.58 0.67 0.43 0.50 Weak —
540 NMT-TY0566
T09
 0 -24.762 3.3810 -1.3517 11 18 0.77 0.81 0.57 0.67 Weak —
541 NMT-TY0875
T09
 0 -30.457 3.3913 -1.1693 7 18 0.50 0.62 0.00 0.17 Weak —
542 Z68347496
T09
 0 -30.190 3.3919 -0.8685 8 19 0.60 0.71 0.00 0.17 Reject —
543 Z57783661
T09
 0 -27.595 3.4192 -0.8503 3 17 0.52 0.62 0.00 0.17 Reject —
544 OHD_Leishmania_134
T09
 0 -26.192 3.4256 -0.7682 9 21 0.75 0.86 0.57 0.67 Reject —
545 NMT-TY0959
T09
 0 -24.485 3.4295 -1.0491 8 15 0.38 0.48 0.00 0.00 Reject —
546 NMT-TY0475
T09
 0 -25.844 3.4472 -1.0495 13 14 0.35 0.43 0.00 0.17 Weak —
547 NMT-TY0406
T09
 0 -30.561 3.4499 -1.2663 10 15 0.38 0.48 0.00 0.17 Weak —
548 OHD_MAC_74
T09
 0 -19.299 3.4525 -0.9147 3 13 0.31 0.38 0.00 0.00 Reject —
549 OHD_TbNat_104
T09
 0 -25.227 3.4554 -0.8422 7 15 0.50 0.57 0.29 0.17 Weak —
550 Z17094078
T09
 0 -25.028 3.4608 -0.9736 5 17 0.58 0.67 0.29 0.33 Weak —
551 NMT-TY0371
T09
 0 -24.561 3.4643 -1.3020 9 15 0.44 0.52 0.14 0.33 Weak —
552 Z56831485
T09
 0 -18.723 3.4684 -0.8445 5 18 0.56 0.67 0.00 0.00 Weak —
553 KB_Leish_114
T09
 0 -39.146 3.4798 -0.8395 5 18 0.56 0.67 0.14 0.17 Weak —
554 NMT-TY0721
T09
 0 -22.953 3.4954 -1.1278 10 18 0.86 0.86 0.43 0.50 Reject —
555 MK155
T09
 0 -22.326 3.5092 -0.8522 3 16 0.48 0.57 0.14 0.17 Weak —
556 TC430
T09
 0 -23.418 3.5112 -0.6461 3 18 0.50 0.62 0.00 0.00 Reject —
557 TC392
T09
 0 -25.837 3.5180 -0.9301 6 18 0.50 0.62 0.00 0.00 Weak —
558 NMT-TY0703
T09
 0 -27.453 3.5202 -0.9661 10 15 0.38 0.48 0.00 0.17 Reject —
559 Z56899981
T09
 0 -28.152 3.5294 -1.0338 4 17 0.52 0.62 0.00 0.00 Weak —
560 KB_Leish_41
T09
 0 -26.698 3.5443 -0.9374 5 21 0.62 0.76 0.00 0.00 Reject —
561 NMT-TY0669
T09
 0 -28.296 3.5451 -1.0447 9 13 0.31 0.38 0.00 0.17 Reject —
562 OHD_MAC_39
T09
 0 -26.548 3.5490 -0.9949 3 14 0.40 0.48 0.00 0.00 Weak —
563 MK154
T09
 0 -28.388 3.5547 -0.9291 7 17 0.52 0.62 0.43 0.50 Weak —
564 OHD_MAC_66
T09
 0 -14.703 3.5631 -0.7423 4 16 0.42 0.52 0.00 0.00 Reject —
565 NMT-TY0573
T09
 1
2 total
 -23.661 3.6007 -1.0043 7 16 0.48 0.57 0.14 0.33 Reject —
566 Z56174083
T09
 0 -31.937 3.6157 -0.9383 5 15 0.44 0.52 0.00 0.17 Weak —
567 NMT-TY0702
T09
 0 -26.595 3.6221 -0.9963 10 15 0.38 0.48 0.00 0.17 Reject —
568 NMT-TY0957
T09
 0 -25.351 3.6243 -0.9376 7 11 0.23 0.29 0.29 0.17 Weak —
569 Z44845108
T09
 0 -27.096 3.6263 -0.8821 9 17 0.46 0.57 0.29 0.17 Weak —
570 OHD_Leishmania_380
T09
 0 -31.009 3.6474 -0.8644 12 17 0.46 0.57 0.14 0.33 Reject —
571 OHD_MAC_3
T09
 0 -12.037 3.6606 -0.7637 6 17 0.46 0.57 0.00 0.17 Reject —
572 OHD_MAC_24
T09
 0 -19.823 3.6684 -0.7130 3 19 0.67 0.76 0.00 0.00 Reject —
573 Z18988083
T09
 0 -30.274 3.6830 -0.9492 7 11 0.28 0.33 0.00 0.00 Reject SAFE
GDS₃ 0.403
P=53%
574 NMT-TY0602
T09
 0 -24.751 3.7108 -1.0763 9 15 0.38 0.48 0.14 0.33 Reject —
575 NMT-TY0664
T09
 0 -29.521 3.7437 -1.1136 10 15 0.38 0.48 0.00 0.17 Reject —
576 NMT-TY0946
T09
 0 -26.970 3.7479 -1.0351 10 13 0.36 0.43 0.00 0.17 Reject —
577 NMT-TY0579
T09
 0 -29.064 3.7601 -1.0278 13 15 0.38 0.48 0.14 0.33 Reject —
578 OHD_TbNat_129
T09
 0 -21.976 3.7634 -0.4456 6 15 0.44 0.52 0.43 0.33 Reject —
579 OHD_Leishmania_131
T09
 0 -31.443 3.7677 -1.0077 10 19 0.90 0.90 0.57 0.67 Reject —
580 KB_chagas_116
T09
 0 -24.167 3.7800 -0.8295 5 17 0.65 0.71 0.43 0.33 Reject —
581 OHD_MAC_33
T09
 0 -22.610 3.7922 -0.9680 3 14 0.40 0.48 0.00 0.00 Weak —
582 NMT-TY0655
T09
 0 -33.459 3.7935 -1.0618 9 16 0.42 0.52 0.00 0.17 Reject —
583 OHD_Leishmania_205
T09
 0 -21.765 3.8092 -0.6639 3 19 0.60 0.71 0.00 0.00 Reject —
584 KB_HAT_25
T09
 0 -27.523 3.8106 -0.8886 3 16 0.42 0.52 0.14 0.17 Weak —
585 TC391
T09
 0 -20.959 3.8404 -0.9512 6 18 0.44 0.57 0.00 0.17 Weak —
586 OHD_MAC_29
T09
 0 -24.862 3.8570 -0.8350 2 15 0.44 0.52 0.00 0.00 Reject —
587 NMT-TY0960
T09
 0 -27.642 3.8759 -1.0454 10 12 0.32 0.38 0.00 0.17 Reject —
588 NMT-TY0623
T09
 0 -29.247 3.8786 -0.9639 8 19 0.54 0.67 0.14 0.33 Reject —
589 Z19657014
T09
 0 -25.712 3.9199 -1.0565 4 15 0.38 0.48 0.00 0.00 Weak —
590 MK168
T09
 0 -22.651 3.9255 -0.7377 4 15 0.38 0.48 0.29 0.17 Weak —
591 NMT-TY0665
T09
 0 -27.020 3.9326 -1.0565 9 16 0.37 0.48 0.00 0.17 Reject —
592 OHD_Leishmania_45
T09
 0 -34.359 3.9665 -0.4549 9 20 0.64 0.76 0.29 0.17 Reject —
593 TC419
T09
 0 -23.048 3.9671 -0.6392 5 12 0.22 0.29 0.29 0.17 Reject —
594 Z1521553711
T09
 0 -24.376 3.9763 -1.3018 6 17 0.58 0.67 0.29 0.33 Weak —
595 NMT-TY0671
T09
 0 -27.850 3.9912 -0.9143 10 14 0.35 0.43 0.00 0.17 Reject —
596 OHD_Leishmania_136
T09
 1
2 total
 -28.474 3.9946 -1.0775 11 20 0.71 0.81 0.57 0.67 Reject —
597 KB_chagas_52
T09
 0 -24.490 4.0233 -0.8943 5 17 0.52 0.62 0.00 0.00 Reject —
598 Z1213740102
T09
 0 -25.620 4.0385 -0.7008 5 14 0.46 0.52 0.29 0.17 Reject —
599 NMT-TY0642
T09
 0 -23.585 4.0406 -0.7728 9 17 0.52 0.62 0.00 0.17 Reject —
600 OHD_MAC_46
T09
 0 -25.148 4.0460 -1.1135 7 15 0.44 0.52 0.29 0.33 Reject —
601 KB_HAT_24
T09
 0 -25.675 4.0591 -0.7734 6 16 0.54 0.62 0.29 0.17 Weak —
602 KB_HAT_148
T09
 0 -28.336 4.0629 -0.9002 5 16 0.48 0.57 0.00 0.17 Weak —
603 MK61
T09
 0 -28.590 4.0708 -0.7414 5 18 0.39 0.52 0.00 0.17 Reject —
604 NMT-TY1013
T09
 0 -28.053 4.1148 -1.0142 12 14 0.40 0.48 0.00 0.17 Reject —
605 MK21
T09
 0 -26.444 4.1230 -0.8292 5 16 0.42 0.52 0.00 0.17 Weak —
606 OHD_Leishmania_128
T09
 0 -28.084 4.1302 -0.8271 10 21 0.56 0.71 0.57 0.67 Reject —
607 OHD_Leishmania_132
T09
 0 -25.331 4.1308 -0.8415 12 20 0.71 0.81 0.57 0.67 Weak —
608 OHD_TbNat_2
T09
 0 -21.462 4.1413 -1.0316 9 18 0.62 0.71 0.43 0.50 Weak —
609 OHD_MAC_6
T09
 0 -17.880 4.1730 -0.6716 3 21 0.50 0.67 0.00 0.00 Reject —
610 OHD_Leishmania_126
T09
 0 -26.292 4.2568 -0.8921 12 20 0.58 0.71 0.57 0.67 Weak —
611 NMT-TY0580
T09
 0 -29.096 4.2797 -1.0089 11 14 0.40 0.48 0.00 0.17 Reject —
612 OHD_Babesia_19
T09
 0 -24.414 4.3251 -0.7583 7 13 0.26 0.33 0.00 0.17 Weak —
613 Z49604116
T09
 0 -24.679 4.3386 -0.9286 6 19 0.54 0.67 0.00 0.17 Reject —
614 ulfkktlib_762
T09
 0 -16.976 4.4390 -0.4569 6 18 0.39 0.52 0.14 0.17 Reject —
615 OHD_TbNat_136
T09
 0 -13.774 4.4653 -0.4454 7 18 0.44 0.57 0.29 0.17 Reject —
616 TC483
T09
 0 -17.878 4.5171 -0.6475 5 19 0.43 0.57 0.29 0.17 Reject —
617 TC489
T09
 0 -25.272 4.5254 -0.6848 8 15 0.38 0.48 0.29 0.17 Reject —
618 Z44831771
T09
 0 -31.101 4.5595 -1.0783 9 19 0.67 0.76 0.71 0.67 Weak —
619 KB_Leish_92
T09
 0 -30.245 4.5764 -1.0667 6 15 0.38 0.48 0.00 0.00 Reject —
620 OHD_Leishmania_135
T09
 0 -29.577 4.6494 -0.7944 6 22 0.87 0.95 0.57 0.67 Reject —
621 Z57783660
T09
 0 -28.315 4.6638 -0.8679 6 14 0.35 0.43 0.00 0.00 Weak —
622 NMT-TY0973
T09
 0 -30.262 4.6745 -1.0637 12 16 0.42 0.52 0.00 0.17 Reject —
623 NMT-TY0670
T09
 0 -26.374 4.7375 -0.8731 7 21 0.62 0.76 0.14 0.17 Reject —
624 Z54938583
T09
 0 -19.857 4.7894 -0.7352 6 17 0.52 0.62 0.14 0.17 Reject —
625 OHD_ACDS_28
T09
 0 -5.455 4.8905 -0.8781 8 20 0.71 0.81 0.57 0.67 Reject —
626 OHD_MAC_41
T09
 0 -24.689 4.9989 -0.9363 6 15 0.44 0.52 0.29 0.33 Reject —
627 NMT-TY0970
T09
 0 -27.490 5.0332 -1.0233 11 14 0.35 0.43 0.00 0.17 Reject —
628 OHD_MAC_28
T09
 0 -30.231 5.0390 -1.0227 6 15 0.44 0.52 0.29 0.33 Reject —
629 Z49638306
T09
 0 -31.284 5.0630 -0.9741 7 12 0.38 0.43 0.29 0.17 Weak —
630 OHD_MAC_18
T09
 0 -17.726 5.0686 -0.7946 8 19 0.48 0.62 0.00 0.17 Reject —
631 OHD_Leishmania_289
T09
 0 -19.139 5.0796 -0.5792 8 15 0.33 0.43 0.29 0.17 Reject —
632 OHD_MAC_60
T09
 0 -21.980 5.1071 -0.9359 6 15 0.44 0.52 0.29 0.33 Reject —
633 OHD_MAC_49
T09
 0 -19.251 5.1699 -0.7888 8 18 0.44 0.57 0.29 0.33 Reject —
634 KB_HAT_86
T09
 0 -24.950 5.2394 -0.8404 9 18 0.50 0.62 0.14 0.17 Weak —
635 Z104500108
T09
 0 -26.837 5.3746 -0.9525 9 18 0.50 0.62 0.29 0.50 Weak —
636 OHD_Leishmania_124
T09
 0 -28.370 5.6066 -0.8880 11 19 0.82 0.86 0.71 0.83 Reject —
637 OHD_MAC_43
T09
 0 -18.220 5.8000 -0.8492 6 18 0.50 0.62 0.29 0.33 Reject —
638 OHD_MAC_75
T09
 0 -24.751 5.8126 -0.8924 6 16 0.42 0.52 0.29 0.33 Reject —
639 OHD_MAC_34
T09
 0 -22.395 5.9336 -1.0124 7 16 0.42 0.52 0.43 0.50 Weak —
640 3CL9
T09
 0 - - - 9 21 1.00 1.00 1.00 1.00 Weak —

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