40 compounds in matrix
159 best compound-target hits listed
15 targets
• Combined reverse-docking score = 65% normalized docking-score estimator + 35% interaction-fingerprint component.
• When a native ligand exists for an experiment, the interaction-fingerprint component is driven by similarity to the native contact/H-bond pattern.
• When no native ligand exists, the interaction-fingerprint component falls back to contact richness within the experiment (normalized contacts and H-bonds).
Compounds × targets matrix
Each cell shows the best combined reverse-docking score found for that compound on that target. Blank cells mean no imported pose passed the current filters.
| Compound | Best | Mean | Targets | T01 | T02 | T03 | T05 | T08 | T10 | T11 | T14 | T15 | T16 | T17 | T18 | T19 | T20 | T22 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OSA_Lib_133 | 0.937 | 0.937 | 1 | 0.94 | ||||||||||||||
| OSA_Lib_186 | 0.928 | 0.907 | 2 | 0.93 | 0.89 | |||||||||||||
| OSA_Lib_188 | 0.897 | 0.897 | 1 | 0.90 | ||||||||||||||
| OSA_Lib_15 | 0.872 | 0.872 | 1 | 0.87 | ||||||||||||||
| OSA_Lib_136 | 0.871 | 0.871 | 1 | 0.87 | ||||||||||||||
| OSA_Lib_11 | 0.866 | 0.866 | 1 | 0.87 | ||||||||||||||
| OSA_Lib_108 | 0.859 | 0.859 | 1 | 0.86 | ||||||||||||||
| OSA_Lib_109 | 0.859 | 0.838 | 2 | 0.82 | 0.86 | |||||||||||||
| OSA_Lib_136 | 0.855 | 0.804 | 3 | 0.86 | 0.80 | 0.76 | ||||||||||||
| OSA_Lib_160 | 0.854 | 0.854 | 1 | 0.85 | ||||||||||||||
| OSA_Lib_183 | 0.852 | 0.815 | 2 | 0.85 | 0.78 | |||||||||||||
| OSA_Lib_129 | 0.850 | 0.850 | 1 | 0.85 | ||||||||||||||
| OSA_Lib_137 | 0.848 | 0.848 | 1 | 0.85 | ||||||||||||||
| OSA_Lib_119 | 0.848 | 0.815 | 2 | 0.85 | 0.78 | |||||||||||||
| OSA_Lib_198 | 0.846 | 0.846 | 1 | 0.85 | ||||||||||||||
| OSA_Lib_191 | 0.844 | 0.844 | 1 | 0.84 | ||||||||||||||
| OSA_Lib_158 | 0.842 | 0.842 | 1 | 0.84 | ||||||||||||||
| OSA_Lib_188 | 0.839 | 0.839 | 1 | 0.84 | ||||||||||||||
| OSA_Lib_189 | 0.839 | 0.839 | 1 | 0.84 | ||||||||||||||
| OSA_Lib_109 | 0.838 | 0.838 | 1 | 0.84 | ||||||||||||||
| OSA_Lib_184 | 0.838 | 0.838 | 1 | 0.84 | ||||||||||||||
| OSA_Lib_1 | 0.835 | 0.835 | 1 | 0.84 | ||||||||||||||
| OSA_Lib_11 | 0.835 | 0.835 | 1 | 0.84 | ||||||||||||||
| OSA_Lib_112 | 0.835 | 0.835 | 1 | 0.84 | ||||||||||||||
| OSA_Lib_13 | 0.835 | 0.835 | 1 | 0.84 | ||||||||||||||
| OSA_Lib_188 | 0.835 | 0.835 | 1 | 0.84 | ||||||||||||||
| OSA_Lib_190 | 0.835 | 0.835 | 1 | 0.84 | ||||||||||||||
| OSA_Lib_166 | 0.835 | 0.835 | 1 | 0.84 | ||||||||||||||
| OSA_Lib_131 | 0.833 | 0.833 | 1 | 0.83 | ||||||||||||||
| OSA_Lib_137 | 0.832 | 0.832 | 1 | 0.83 | ||||||||||||||
| OSA_Lib_16 | 0.831 | 0.831 | 1 | 0.83 | ||||||||||||||
| OSA_Lib_183 | 0.831 | 0.831 | 1 | 0.83 | ||||||||||||||
| OSA_Lib_184 | 0.831 | 0.831 | 1 | 0.83 | ||||||||||||||
| OSA_Lib_189 | 0.831 | 0.831 | 1 | 0.83 | ||||||||||||||
| OSA_Lib_14 | 0.831 | 0.810 | 3 | 0.81 | 0.83 | 0.79 | ||||||||||||
| OSA_Lib_17 | 0.831 | 0.812 | 2 | 0.79 | 0.83 | |||||||||||||
| OSA_Lib_136 | 0.830 | 0.830 | 1 | 0.83 | ||||||||||||||
| OSA_Lib_157 | 0.829 | 0.829 | 1 | 0.83 | ||||||||||||||
| OSA_Lib_1 | 0.827 | 0.827 | 1 | 0.83 | ||||||||||||||
| OSA_Lib_186 | 0.827 | 0.827 | 1 | 0.83 |
Best compound-target hits
The score column is the combined reverse-docking score. The next two columns expose its components: normalized score-estimator and interaction fingerprint.
| Compound | Target | Experiment | Combined | Score part | IFP part | IFP mode | Metric | Dock score | Inter norm | Contacts | HB | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OSA_Lib_133 | T17 native IFP available |
T17 selection_import_t17 |
0.937 | 1.000 | 0.819 | native_similarity | final_rank_score | -23.7377 | -0.710771 | 17 | 3 | Pose |
| OSA_Lib_186 | T17 native IFP available |
T17 selection_import_t17 |
0.928 | 1.000 | 0.795 | native_similarity | final_rank_score | -24.0159 | -0.609241 | 19 | 4 | Pose |
| OSA_Lib_188 | T17 native IFP available |
T17 selection_import_t17 |
0.897 | 1.000 | 0.705 | native_similarity | final_rank_score | -21.3517 | -0.611398 | 17 | 1 | Pose |
| OSA_Lib_186 | T20 native IFP available |
T20 selection_import_t20 |
0.886 | 1.000 | 0.675 | native_similarity | final_rank_score | -15.8356 | -0.513794 | 14 | 3 | Pose |
| OSA_Lib_15 | T01 native IFP available |
T01 selection_import_t01 |
0.872 | 1.000 | 0.633 | native_similarity | final_rank_score | -25.7471 | -0.791263 | 19 | 1 | Pose |
| OSA_Lib_136 | T03 native IFP available |
T03 selection_import_t03 |
0.871 | 1.000 | 0.630 | native_similarity | final_rank_score | -25.0414 | -0.778277 | 22 | 1 | Pose |
| OSA_Lib_11 | T01 native IFP available |
T01 selection_import_t01 |
0.866 | 1.000 | 0.617 | native_similarity | final_rank_score | -28.6287 | -0.805609 | 20 | 0 | Pose |
| OSA_Lib_108 | T02 native IFP available |
T02 selection_import_t02 |
0.859 | 1.000 | 0.599 | native_similarity | final_rank_score | -11.304 | -0.758321 | 19 | 2 | Pose |
| OSA_Lib_109 | T10 native IFP available |
T10 selection_import_t10 |
0.859 | 1.000 | 0.597 | native_similarity | final_rank_score | -25.7988 | -0.73235 | 13 | 7 | Pose |
| OSA_Lib_136 | T01 native IFP available |
T01 selection_import_t01 |
0.855 | 1.000 | 0.586 | native_similarity | final_rank_score | -19.497 | -0.771589 | 20 | 2 | Pose |
| OSA_Lib_160 | T08 native IFP available |
T08 selection_import_t08 |
0.854 | 1.000 | 0.583 | native_similarity | final_rank_score | -31.4363 | -1.18868 | 17 | 2 | Pose |
| OSA_Lib_183 | T03 native IFP available |
T03 selection_import_t03 |
0.852 | 1.000 | 0.578 | native_similarity | final_rank_score | -26.637 | -0.781797 | 19 | 2 | Pose |
| OSA_Lib_129 | T01 native IFP available |
T01 selection_import_t01 |
0.850 | 1.000 | 0.570 | native_similarity | final_rank_score | -26.6536 | -0.831661 | 20 | 1 | Pose |
| OSA_Lib_119 | T01 native IFP available |
T01 selection_import_t01 |
0.848 | 1.000 | 0.567 | native_similarity | final_rank_score | -26.0674 | -0.942832 | 17 | 3 | Pose |
| OSA_Lib_137 | T02 native IFP available |
T02 selection_import_t02 |
0.848 | 1.000 | 0.567 | native_similarity | final_rank_score | -28.4302 | -0.786043 | 17 | 1 | Pose |
| OSA_Lib_198 | T22 native IFP available |
T22 selection_import_t22 |
0.846 | 1.000 | 0.559 | native_similarity | final_rank_score | -24.1532 | -0.958348 | 22 | 6 | Pose |
| OSA_Lib_191 | T02 native IFP available |
T02 selection_import_t02 |
0.844 | 1.000 | 0.555 | native_similarity | final_rank_score | -22.0635 | -0.748051 | 19 | 2 | Pose |
| OSA_Lib_158 | T08 native IFP available |
T08 selection_import_t08 |
0.842 | 1.000 | 0.548 | native_similarity | final_rank_score | -25.566 | -1.27731 | 16 | 5 | Pose |
| OSA_Lib_189 | T22 native IFP available |
T22 selection_import_t22 |
0.839 | 1.000 | 0.540 | native_similarity | final_rank_score | -31.7059 | -0.866518 | 24 | 4 | Pose |
| OSA_Lib_188 | T22 native IFP available |
T22 selection_import_t22 |
0.839 | 1.000 | 0.540 | native_similarity | final_rank_score | -28.8104 | -0.813937 | 24 | 4 | Pose |
| OSA_Lib_109 | T02 native IFP available |
T02 selection_import_t02 |
0.838 | 1.000 | 0.539 | native_similarity | final_rank_score | -11.7151 | -0.713329 | 19 | 1 | Pose |
| OSA_Lib_184 | T03 native IFP available |
T03 selection_import_t03 |
0.838 | 1.000 | 0.538 | native_similarity | final_rank_score | -28.2783 | -0.739461 | 21 | 1 | Pose |
| OSA_Lib_11 | T15 native IFP available |
T15 selection_import_t15 |
0.835 | 1.000 | 0.530 | native_similarity | final_rank_score | -19.1977 | -0.705723 | 18 | 1 | Pose |
| OSA_Lib_13 | T15 native IFP available |
T15 selection_import_t15 |
0.835 | 1.000 | 0.530 | native_similarity | final_rank_score | -21.2614 | -0.701971 | 18 | 1 | Pose |
| OSA_Lib_188 | T15 native IFP available |
T15 selection_import_t15 |
0.835 | 1.000 | 0.530 | native_similarity | final_rank_score | -26.6 | -0.700507 | 18 | 3 | Pose |
| OSA_Lib_1 | T15 native IFP available |
T15 selection_import_t15 |
0.835 | 1.000 | 0.530 | native_similarity | final_rank_score | -21.805 | -0.671792 | 18 | 0 | Pose |
| OSA_Lib_190 | T15 native IFP available |
T15 selection_import_t15 |
0.835 | 1.000 | 0.530 | native_similarity | final_rank_score | -21.7072 | -0.691199 | 18 | 1 | Pose |
| OSA_Lib_112 | T15 native IFP available |
T15 selection_import_t15 |
0.835 | 1.000 | 0.530 | native_similarity | final_rank_score | -20.6237 | -0.655169 | 18 | 1 | Pose |
| OSA_Lib_166 | T15 native IFP available |
T15 selection_import_t15 |
0.835 | 1.000 | 0.529 | native_similarity | final_rank_score | -22.6297 | -0.849575 | 14 | 7 | Pose |
| OSA_Lib_131 | T22 native IFP available |
T22 selection_import_t22 |
0.833 | 1.000 | 0.522 | native_similarity | final_rank_score | -29.9538 | -0.894482 | 24 | 3 | Pose |
| OSA_Lib_137 | T17 native IFP available |
T17 selection_import_t17 |
0.832 | 1.000 | 0.519 | native_similarity | final_rank_score | -21.9591 | -0.69662 | 17 | 4 | Pose |
| OSA_Lib_16 | T03 native IFP available |
T03 selection_import_t03 |
0.831 | 1.000 | 0.518 | native_similarity | final_rank_score | -23.6443 | -0.856642 | 19 | 0 | Pose |
| OSA_Lib_189 | T20 native IFP available |
T20 selection_import_t20 |
0.831 | 1.000 | 0.517 | native_similarity | final_rank_score | -23.7955 | -0.531787 | 10 | 3 | Pose |
| OSA_Lib_184 | T20 native IFP available |
T20 selection_import_t20 |
0.831 | 1.000 | 0.517 | native_similarity | final_rank_score | -16.8051 | -0.549732 | 10 | 3 | Pose |
| OSA_Lib_183 | T20 native IFP available |
T20 selection_import_t20 |
0.831 | 1.000 | 0.517 | native_similarity | final_rank_score | -20.6788 | -0.582036 | 10 | 3 | Pose |
| OSA_Lib_14 | T15 native IFP available |
T15 selection_import_t15 |
0.831 | 1.000 | 0.517 | native_similarity | final_rank_score | -20.8517 | -0.659569 | 19 | 0 | Pose |
| OSA_Lib_17 | T18 native IFP available |
T18 selection_import_t18 |
0.831 | 1.000 | 0.516 | native_similarity | final_rank_score | -19.8224 | -0.662118 | 11 | 2 | Pose |
| OSA_Lib_136 | T11 native IFP available |
T11 selection_import_t11 |
0.830 | 1.000 | 0.514 | native_similarity | final_rank_score | -22.7481 | -0.706397 | 22 | 2 | Pose |
| OSA_Lib_157 | T15 native IFP available |
T15 selection_import_t15 |
0.829 | 1.000 | 0.513 | native_similarity | final_rank_score | -23.2265 | -0.765175 | 15 | 4 | Pose |
| OSA_Lib_1 | T03 native IFP available |
T03 selection_import_t03 |
0.827 | 1.000 | 0.507 | native_similarity | final_rank_score | -24.359 | -0.73125 | 20 | 0 | Pose |
| OSA_Lib_186 | T03 native IFP available |
T03 selection_import_t03 |
0.827 | 1.000 | 0.507 | native_similarity | final_rank_score | -24.267 | -0.760435 | 20 | 1 | Pose |
| OSA_Lib_109 | T01 native IFP available |
T01 selection_import_t01 |
0.827 | 1.000 | 0.505 | native_similarity | final_rank_score | -15.6596 | -0.718412 | 20 | 2 | Pose |
| OSA_Lib_199 | T01 native IFP available |
T01 selection_import_t01 |
0.827 | 1.000 | 0.504 | native_similarity | final_rank_score | -15.603 | -0.717172 | 22 | 1 | Pose |
| OSA_Lib_107 | T22 native IFP available |
T22 selection_import_t22 |
0.824 | 1.000 | 0.497 | native_similarity | final_rank_score | -15.5594 | -0.957343 | 19 | 7 | Pose |
| OSA_Lib_186 | T16 native IFP available |
T16 selection_import_t16 |
0.823 | 1.000 | 0.495 | native_similarity | final_rank_score | -19.1554 | -0.629576 | 19 | 2 | Pose |
| OSA_Lib_142 | T03 native IFP available |
T03 selection_import_t03 |
0.820 | 1.000 | 0.486 | native_similarity | final_rank_score | -23.5794 | -0.803975 | 18 | 1 | Pose |
| OSA_Lib_193 | T15 native IFP available |
T15 selection_import_t15 |
0.820 | 1.000 | 0.485 | native_similarity | final_rank_score | -20.393 | -0.710564 | 17 | 2 | Pose |
| OSA_Lib_187 | T15 native IFP available |
T15 selection_import_t15 |
0.820 | 1.000 | 0.485 | native_similarity | final_rank_score | -20.0809 | -0.636855 | 17 | 2 | Pose |
| OSA_Lib_101 | T02 native IFP available |
T02 selection_import_t02 |
0.820 | 1.000 | 0.485 | native_similarity | final_rank_score | -21.3976 | -0.754139 | 20 | 1 | Pose |
| OSA_Lib_11 | T02 native IFP available |
T02 selection_import_t02 |
0.820 | 1.000 | 0.485 | native_similarity | final_rank_score | -27.7765 | -0.771651 | 20 | 0 | Pose |
| OSA_Lib_199 | T02 native IFP available |
T02 selection_import_t02 |
0.820 | 1.000 | 0.485 | native_similarity | final_rank_score | -23.4977 | -0.756697 | 20 | 1 | Pose |
| OSA_Lib_191 | T01 native IFP available |
T01 selection_import_t01 |
0.819 | 1.000 | 0.484 | native_similarity | final_rank_score | -21.0502 | -0.736866 | 18 | 2 | Pose |
| OSA_Lib_193 | T22 native IFP available |
T22 selection_import_t22 |
0.817 | 1.000 | 0.476 | native_similarity | final_rank_score | -22.5961 | -0.901222 | 23 | 5 | Pose |
| OSA_Lib_120 | T22 native IFP available |
T22 selection_import_t22 |
0.816 | 1.000 | 0.476 | native_similarity | final_rank_score | -28.8016 | -1.00183 | 17 | 7 | Pose |
| OSA_Lib_178 | T03 native IFP available |
T03 selection_import_t03 |
0.816 | 1.000 | 0.475 | native_similarity | final_rank_score | -24.0202 | -0.745003 | 19 | 1 | Pose |
| OSA_Lib_109 | T05 native IFP available |
T05 selection_import_t05 |
0.816 | 1.000 | 0.475 | native_similarity | final_rank_score | -22.2351 | -0.792448 | 11 | 5 | Pose |
| OSA_Lib_111 | T02 native IFP available |
T02 selection_import_t02 |
0.816 | 1.000 | 0.475 | native_similarity | final_rank_score | -14.0568 | -0.765375 | 21 | 1 | Pose |
| OSA_Lib_186 | T15 native IFP available |
T15 selection_import_t15 |
0.816 | 1.000 | 0.474 | native_similarity | final_rank_score | -22.3876 | -0.766997 | 18 | 5 | Pose |
| OSA_Lib_14 | T22 native IFP available |
T22 selection_import_t22 |
0.813 | 1.000 | 0.466 | native_similarity | final_rank_score | -24.5379 | -0.846304 | 23 | 1 | Pose |
| OSA_Lib_135 | T18 native IFP available |
T18 selection_import_t18 |
0.813 | 1.000 | 0.466 | native_similarity | final_rank_score | -16.2099 | -0.607878 | 14 | 1 | Pose |
| OSA_Lib_139 | T18 native IFP available |
T18 selection_import_t18 |
0.813 | 1.000 | 0.466 | native_similarity | final_rank_score | -16.9704 | -0.629134 | 14 | 1 | Pose |
| OSA_Lib_14 | T03 native IFP available |
T03 selection_import_t03 |
0.813 | 1.000 | 0.465 | native_similarity | final_rank_score | -23.4626 | -0.751453 | 16 | 1 | Pose |
| OSA_Lib_188 | T20 native IFP available |
T20 selection_import_t20 |
0.812 | 1.000 | 0.463 | native_similarity | final_rank_score | -20.6256 | -0.564968 | 13 | 2 | Pose |
| OSA_Lib_100 | T22 native IFP available |
T22 selection_import_t22 |
0.810 | 1.000 | 0.456 | native_similarity | final_rank_score | -19.9226 | -0.968992 | 21 | 6 | Pose |
| OSA_Lib_192 | T01 native IFP available |
T01 selection_import_t01 |
0.809 | 1.000 | 0.454 | native_similarity | final_rank_score | -24.7335 | -0.805934 | 19 | 3 | Pose |
| OSA_Lib_101 | T01 native IFP available |
T01 selection_import_t01 |
0.809 | 1.000 | 0.454 | native_similarity | final_rank_score | -17.7342 | -0.751004 | 19 | 1 | Pose |
| OSA_Lib_197 | T01 native IFP available |
T01 selection_import_t01 |
0.809 | 1.000 | 0.454 | native_similarity | final_rank_score | -24.5941 | -0.860973 | 19 | 2 | Pose |
| OSA_Lib_198 | T02 native IFP available |
T02 selection_import_t02 |
0.809 | 1.000 | 0.454 | native_similarity | final_rank_score | -24.9639 | -0.872637 | 19 | 3 | Pose |
| OSA_Lib_15 | T02 native IFP available |
T02 selection_import_t02 |
0.809 | 1.000 | 0.454 | native_similarity | final_rank_score | -23.5671 | -0.815972 | 19 | 0 | Pose |
| OSA_Lib_289 | T16 native IFP available |
T16 selection_import_t16 |
0.807 | 1.000 | 0.450 | native_similarity | final_rank_score | -22.9267 | -0.854533 | 13 | 2 | Pose |
| OSA_Lib_170 | T16 native IFP available |
T16 selection_import_t16 |
0.807 | 1.000 | 0.450 | native_similarity | final_rank_score | -23.0107 | -0.870254 | 13 | 2 | Pose |
| OSA_Lib_170 | T16 native IFP available |
T16 selection_import_t16 |
0.807 | 1.000 | 0.450 | native_similarity | final_rank_score | -23.095 | -0.868363 | 13 | 2 | Pose |
| OSA_Lib_189 | T03 native IFP available |
T03 selection_import_t03 |
0.805 | 1.000 | 0.443 | native_similarity | final_rank_score | -27.5138 | -0.745056 | 18 | 2 | Pose |
| OSA_Lib_127 | T15 native IFP available |
T15 selection_import_t15 |
0.804 | 1.000 | 0.441 | native_similarity | final_rank_score | -20.3368 | -0.707217 | 16 | 1 | Pose |
| OSA_Lib_181 | T15 native IFP available |
T15 selection_import_t15 |
0.804 | 1.000 | 0.441 | native_similarity | final_rank_score | -23.7163 | -0.705885 | 16 | 3 | Pose |
| OSA_Lib_133 | T15 native IFP available |
T15 selection_import_t15 |
0.804 | 1.000 | 0.441 | native_similarity | final_rank_score | -26.7077 | -0.734527 | 16 | 2 | Pose |
| OSA_Lib_174 | T16 native IFP available |
T16 selection_import_t16 |
0.803 | 1.000 | 0.437 | native_similarity | final_rank_score | -22.7235 | -0.853348 | 14 | 2 | Pose |
| OSA_Lib_214 | T16 native IFP available |
T16 selection_import_t16 |
0.803 | 1.000 | 0.437 | native_similarity | final_rank_score | -25.7316 | -0.901724 | 14 | 2 | Pose |
| OSA_Lib_176 | T16 native IFP available |
T16 selection_import_t16 |
0.803 | 1.000 | 0.437 | native_similarity | final_rank_score | -22.4296 | -0.841668 | 14 | 2 | Pose |
| OSA_Lib_118 | T16 native IFP available |
T16 selection_import_t16 |
0.803 | 1.000 | 0.437 | native_similarity | final_rank_score | -23.6758 | -0.933898 | 14 | 2 | Pose |
| OSA_Lib_12 | T16 native IFP available |
T16 selection_import_t16 |
0.803 | 1.000 | 0.437 | native_similarity | final_rank_score | -25.4528 | -0.880061 | 14 | 2 | Pose |
| OSA_Lib_17 | T16 native IFP available |
T16 selection_import_t16 |
0.803 | 1.000 | 0.437 | native_similarity | final_rank_score | -19.3641 | -0.80424 | 14 | 4 | Pose |
| OSA_Lib_126 | T15 native IFP available |
T15 selection_import_t15 |
0.801 | 1.000 | 0.431 | native_similarity | final_rank_score | -21.3894 | -0.732136 | 17 | 2 | Pose |
| OSA_Lib_120 | T15 native IFP available |
T15 selection_import_t15 |
0.801 | 1.000 | 0.431 | native_similarity | final_rank_score | -23.9426 | -0.780092 | 17 | 1 | Pose |
| OSA_Lib_151 | T16 native IFP available |
T16 selection_import_t16 |
0.799 | 1.000 | 0.425 | native_similarity | final_rank_score | -23.8633 | -0.867916 | 15 | 2 | Pose |
| OSA_Lib_148 | T16 native IFP available |
T16 selection_import_t16 |
0.799 | 1.000 | 0.425 | native_similarity | final_rank_score | -25.2008 | -0.878632 | 15 | 2 | Pose |
| OSA_Lib_198 | T01 native IFP available |
T01 selection_import_t01 |
0.798 | 1.000 | 0.424 | native_similarity | final_rank_score | -28.0722 | -0.94305 | 18 | 3 | Pose |
| OSA_Lib_19 | T02 native IFP available |
T02 selection_import_t02 |
0.798 | 1.000 | 0.424 | native_similarity | final_rank_score | -17.8656 | -0.756466 | 18 | 1 | Pose |
| OSA_Lib_136 | T15 native IFP available |
T15 selection_import_t15 |
0.797 | 1.000 | 0.421 | native_similarity | final_rank_score | -22.9655 | -0.736673 | 18 | 2 | Pose |
| OSA_Lib_124 | T15 native IFP available |
T15 selection_import_t15 |
0.797 | 1.000 | 0.421 | native_similarity | final_rank_score | -23.2214 | -0.768925 | 18 | 1 | Pose |
| OSA_Lib_178 | T15 native IFP available |
T15 selection_import_t15 |
0.797 | 1.000 | 0.421 | native_similarity | final_rank_score | -21.3161 | -0.707712 | 18 | 1 | Pose |
| OSA_Lib_183 | T15 native IFP available |
T15 selection_import_t15 |
0.797 | 1.000 | 0.421 | native_similarity | final_rank_score | -22.9664 | -0.687186 | 18 | 1 | Pose |
| OSA_Lib_181 | T18 native IFP available |
T18 selection_import_t18 |
0.797 | 1.000 | 0.419 | native_similarity | final_rank_score | -18.1403 | -0.62538 | 13 | 1 | Pose |
| OSA_Lib_151 | T01 native IFP available |
T01 selection_import_t01 |
0.795 | 1.000 | 0.415 | native_similarity | final_rank_score | -25.0055 | -0.89305 | 19 | 0 | Pose |
| OSA_Lib_1 | T16 native IFP available |
T16 selection_import_t16 |
0.795 | 1.000 | 0.414 | native_similarity | final_rank_score | -21.6456 | -0.642811 | 16 | 1 | Pose |
| OSA_Lib_157 | T16 native IFP available |
T16 selection_import_t16 |
0.795 | 1.000 | 0.414 | native_similarity | final_rank_score | -25.1898 | -0.736245 | 16 | 2 | Pose |
| OSA_Lib_191 | T16 native IFP available |
T16 selection_import_t16 |
0.795 | 1.000 | 0.414 | native_similarity | final_rank_score | -20.1524 | -0.652602 | 16 | 1 | Pose |
| OSA_Lib_15 | T15 native IFP available |
T15 selection_import_t15 |
0.793 | 1.000 | 0.408 | native_similarity | final_rank_score | -25.5695 | -0.830782 | 14 | 2 | Pose |
| OSA_Lib_174 | T15 native IFP available |
T15 selection_import_t15 |
0.793 | 1.000 | 0.408 | native_similarity | final_rank_score | -23.9555 | -0.891847 | 14 | 2 | Pose |
| OSA_Lib_176 | T15 native IFP available |
T15 selection_import_t15 |
0.793 | 1.000 | 0.408 | native_similarity | final_rank_score | -23.6964 | -0.868585 | 14 | 2 | Pose |
| OSA_Lib_17 | T15 native IFP available |
T15 selection_import_t15 |
0.793 | 1.000 | 0.408 | native_similarity | final_rank_score | -23.7405 | -0.829565 | 14 | 4 | Pose |
| OSA_Lib_10 | T16 native IFP available |
T16 selection_import_t16 |
0.790 | 1.000 | 0.400 | native_similarity | final_rank_score | -22.5798 | -0.909033 | 12 | 2 | Pose |
| OSA_Lib_160 | T16 native IFP available |
T16 selection_import_t16 |
0.790 | 1.000 | 0.400 | native_similarity | final_rank_score | -23.1027 | -0.855975 | 12 | 3 | Pose |
| OSA_Lib_134 | T15 native IFP available |
T15 selection_import_t15 |
0.789 | 1.000 | 0.397 | native_similarity | final_rank_score | -23.3432 | -0.711752 | 15 | 2 | Pose |
| OSA_Lib_131 | T15 native IFP available |
T15 selection_import_t15 |
0.789 | 1.000 | 0.397 | native_similarity | final_rank_score | -21.3989 | -0.767665 | 15 | 5 | Pose |
| OSA_Lib_148 | T15 native IFP available |
T15 selection_import_t15 |
0.789 | 1.000 | 0.397 | native_similarity | final_rank_score | -25.582 | -0.919738 | 15 | 2 | Pose |
| OSA_Lib_185 | T16 native IFP available |
T16 selection_import_t16 |
0.789 | 1.000 | 0.396 | native_similarity | final_rank_score | -23.0837 | -0.667616 | 18 | 1 | Pose |
| OSA_Lib_187 | T16 native IFP available |
T16 selection_import_t16 |
0.789 | 1.000 | 0.396 | native_similarity | final_rank_score | -20.1472 | -0.620358 | 18 | 3 | Pose |
| OSA_Lib_14 | T17 native IFP available |
T17 selection_import_t17 |
0.786 | 1.000 | 0.389 | native_similarity | final_rank_score | -21.6522 | -0.624433 | 19 | 0 | Pose |
| OSA_Lib_118 | T16 native IFP available |
T16 selection_import_t16 |
0.786 | 1.000 | 0.388 | native_similarity | final_rank_score | -24.2489 | -0.926927 | 13 | 2 | Pose |
| OSA_Lib_14 | T16 native IFP available |
T16 selection_import_t16 |
0.786 | 1.000 | 0.388 | native_similarity | final_rank_score | -24.4792 | -0.666675 | 13 | 1 | Pose |
| OSA_Lib_182 | T15 native IFP available |
T15 selection_import_t15 |
0.786 | 1.000 | 0.388 | native_similarity | final_rank_score | -16.6786 | -0.744836 | 16 | 3 | Pose |
| OSA_Lib_179 | T15 native IFP available |
T15 selection_import_t15 |
0.786 | 1.000 | 0.388 | native_similarity | final_rank_score | -20.9906 | -0.689311 | 16 | 3 | Pose |
| OSA_Lib_189 | T15 native IFP available |
T15 selection_import_t15 |
0.783 | 1.000 | 0.379 | native_similarity | final_rank_score | -27.172 | -0.747845 | 17 | 3 | Pose |
| OSA_Lib_185 | T15 native IFP available |
T15 selection_import_t15 |
0.783 | 1.000 | 0.379 | native_similarity | final_rank_score | -25.1507 | -0.732998 | 17 | 4 | Pose |
| OSA_Lib_119 | T16 native IFP available |
T16 selection_import_t16 |
0.782 | 1.000 | 0.378 | native_similarity | final_rank_score | -23.1571 | -0.825721 | 14 | 4 | Pose |
| OSA_Lib_182 | T16 native IFP available |
T16 selection_import_t16 |
0.782 | 1.000 | 0.378 | native_similarity | final_rank_score | -20.9295 | -0.668732 | 14 | 3 | Pose |
| OSA_Lib_13 | T16 native IFP available |
T16 selection_import_t16 |
0.782 | 1.000 | 0.378 | native_similarity | final_rank_score | -22.1894 | -0.720763 | 14 | 1 | Pose |
| OSA_Lib_193 | T16 native IFP available |
T16 selection_import_t16 |
0.782 | 1.000 | 0.378 | native_similarity | final_rank_score | -23.9951 | -0.678321 | 14 | 2 | Pose |
| OSA_Lib_1 | T22 native IFP available |
T22 selection_import_t22 |
0.782 | 1.000 | 0.376 | native_similarity | final_rank_score | -26.8411 | -0.812234 | 18 | 1 | Pose |
| OSA_Lib_160 | T15 native IFP available |
T15 selection_import_t15 |
0.780 | 1.000 | 0.373 | native_similarity | final_rank_score | -25.1667 | -0.924139 | 12 | 2 | Pose |
| OSA_Lib_162 | T15 native IFP available |
T15 selection_import_t15 |
0.780 | 1.000 | 0.373 | native_similarity | final_rank_score | -23.4066 | -0.870539 | 12 | 2 | Pose |
| OSA_Lib_10 | T15 native IFP available |
T15 selection_import_t15 |
0.780 | 1.000 | 0.373 | native_similarity | final_rank_score | -23.5327 | -0.945157 | 12 | 2 | Pose |
| OSA_Lib_16 | T15 native IFP available |
T15 selection_import_t15 |
0.780 | 1.000 | 0.373 | native_similarity | final_rank_score | -24.6671 | -0.779273 | 12 | 2 | Pose |
| OSA_Lib_133 | T18 native IFP available |
T18 selection_import_t18 |
0.780 | 1.000 | 0.373 | native_similarity | final_rank_score | -18.2298 | -0.636976 | 12 | 4 | Pose |
| OSA_Lib_189 | T16 native IFP available |
T16 selection_import_t16 |
0.779 | 1.000 | 0.368 | native_similarity | final_rank_score | -23.0192 | -0.67019 | 15 | 4 | Pose |
| OSA_Lib_188 | T16 native IFP available |
T16 selection_import_t16 |
0.779 | 1.000 | 0.368 | native_similarity | final_rank_score | -23.6113 | -0.683613 | 15 | 4 | Pose |
| OSA_Lib_118 | T15 native IFP available |
T15 selection_import_t15 |
0.777 | 1.000 | 0.362 | native_similarity | final_rank_score | -23.471 | -0.952671 | 13 | 2 | Pose |
| OSA_Lib_171 | T15 native IFP available |
T15 selection_import_t15 |
0.777 | 1.000 | 0.362 | native_similarity | final_rank_score | -22.9471 | -0.920007 | 13 | 2 | Pose |
| OSA_Lib_170 | T15 native IFP available |
T15 selection_import_t15 |
0.777 | 1.000 | 0.362 | native_similarity | final_rank_score | -24.3798 | -0.927286 | 13 | 2 | Pose |
| OSA_Lib_183 | T18 native IFP available |
T18 selection_import_t18 |
0.777 | 1.000 | 0.362 | native_similarity | final_rank_score | -19.0313 | -0.685116 | 13 | 5 | Pose |
| OSA_Lib_188 | T18 native IFP available |
T18 selection_import_t18 |
0.777 | 1.000 | 0.362 | native_similarity | final_rank_score | -21.9076 | -0.600735 | 13 | 4 | Pose |
| OSA_Lib_186 | T18 native IFP available |
T18 selection_import_t18 |
0.777 | 1.000 | 0.362 | native_similarity | final_rank_score | -20.3104 | -0.648702 | 13 | 5 | Pose |
| OSA_Lib_189 | T18 native IFP available |
T18 selection_import_t18 |
0.777 | 1.000 | 0.362 | native_similarity | final_rank_score | -21.7052 | -0.617208 | 13 | 5 | Pose |
| OSA_Lib_179 | T16 native IFP available |
T16 selection_import_t16 |
0.776 | 1.000 | 0.360 | native_similarity | final_rank_score | -22.9653 | -0.690516 | 16 | 3 | Pose |
| OSA_Lib_178 | T16 native IFP available |
T16 selection_import_t16 |
0.776 | 1.000 | 0.360 | native_similarity | final_rank_score | -21.3562 | -0.657173 | 16 | 2 | Pose |
| OSA_Lib_183 | T16 native IFP available |
T16 selection_import_t16 |
0.776 | 1.000 | 0.360 | native_similarity | final_rank_score | -20.4368 | -0.670412 | 16 | 3 | Pose |
| OSA_Lib_1 | T17 native IFP available |
T17 selection_import_t17 |
0.776 | 1.000 | 0.360 | native_similarity | final_rank_score | -21.8648 | -0.638872 | 16 | 1 | Pose |
| OSA_Lib_188 | T14 native IFP available |
T14 selection_import_t14 |
0.774 | 1.000 | 0.356 | native_similarity | final_rank_score | -20.3428 | -0.592324 | 10 | 3 | Pose |
| OSA_Lib_168 | T15 native IFP available |
T15 selection_import_t15 |
0.774 | 1.000 | 0.353 | native_similarity | final_rank_score | -23.7738 | -0.899613 | 14 | 2 | Pose |
| OSA_Lib_181 | T16 native IFP available |
T16 selection_import_t16 |
0.773 | 1.000 | 0.352 | native_similarity | final_rank_score | -24.6461 | -0.774834 | 17 | 4 | Pose |
| OSA_Lib_112 | T16 native IFP available |
T16 selection_import_t16 |
0.773 | 1.000 | 0.352 | native_similarity | final_rank_score | -23.6005 | -0.664231 | 17 | 2 | Pose |
| OSA_Lib_120 | T16 native IFP available |
T16 selection_import_t16 |
0.773 | 1.000 | 0.352 | native_similarity | final_rank_score | -25.3996 | -0.866245 | 17 | 4 | Pose |
| OSA_Lib_197 | T17 native IFP available |
T17 selection_import_t17 |
0.773 | 1.000 | 0.352 | native_similarity | final_rank_score | -20.9519 | -0.696535 | 17 | 2 | Pose |
| OSA_Lib_150 | T16 native IFP available |
T16 selection_import_t16 |
0.769 | 1.000 | 0.340 | native_similarity | final_rank_score | -19.0333 | -0.955769 | 12 | 3 | Pose |
| OSA_Lib_163 | T16 native IFP available |
T16 selection_import_t16 |
0.769 | 1.000 | 0.340 | native_similarity | final_rank_score | -24.3175 | -0.906552 | 12 | 3 | Pose |
| OSA_Lib_159 | T16 native IFP available |
T16 selection_import_t16 |
0.766 | 1.000 | 0.331 | native_similarity | final_rank_score | -22.8826 | -0.783078 | 13 | 2 | Pose |
| OSA_Lib_168 | T16 native IFP available |
T16 selection_import_t16 |
0.763 | 1.000 | 0.322 | native_similarity | final_rank_score | -21.6616 | -1.01147 | 14 | 3 | Pose |
| OSA_Lib_153 | T16 native IFP available |
T16 selection_import_t16 |
0.763 | 1.000 | 0.322 | native_similarity | final_rank_score | -22.9674 | -0.868668 | 14 | 4 | Pose |
| OSA_Lib_103 | T16 native IFP available |
T16 selection_import_t16 |
0.763 | 1.000 | 0.322 | native_similarity | final_rank_score | -25.1701 | -0.816257 | 14 | 3 | Pose |
| OSA_Lib_11 | T11 native IFP available |
T11 selection_import_t11 |
0.762 | 1.000 | 0.321 | native_similarity | final_rank_score | -22.2196 | -0.712543 | 18 | 0 | Pose |
| OSA_Lib_136 | T18 native IFP available |
T18 selection_import_t18 |
0.758 | 1.000 | 0.309 | native_similarity | final_rank_score | -19.2818 | -0.632785 | 13 | 2 | Pose |
| OSA_Lib_136 | T16 native IFP available |
T16 selection_import_t16 |
0.758 | 1.000 | 0.308 | native_similarity | final_rank_score | -22.2325 | -0.68149 | 16 | 2 | Pose |
| OSA_Lib_132 | T16 native IFP available |
T16 selection_import_t16 |
0.745 | 1.000 | 0.270 | native_similarity | final_rank_score | -19.0994 | -0.710019 | 14 | 2 | Pose |
| OSA_Lib_131 | T16 native IFP available |
T16 selection_import_t16 |
0.745 | 1.000 | 0.270 | native_similarity | final_rank_score | -24.385 | -0.726387 | 14 | 4 | Pose |
| OSA_Lib_133 | T16 native IFP available |
T16 selection_import_t16 |
0.733 | 1.000 | 0.236 | native_similarity | final_rank_score | -26.558 | -0.716657 | 11 | 2 | Pose |
| OSA_Lib_147 | T19 native IFP available |
T19 selection_import_t19 |
0.724 | 1.000 | 0.213 | native_similarity | final_rank_score | -25.2582 | -1.2024 | 20 | 2 | Pose |
| OSA_Lib_119 | T19 native IFP available |
T19 selection_import_t19 |
0.724 | 1.000 | 0.211 | native_similarity | final_rank_score | -26.0468 | -1.19523 | 21 | 2 | Pose |
| OSA_Lib_120 | T19 native IFP available |
T19 selection_import_t19 |
0.723 | 1.000 | 0.209 | native_similarity | final_rank_score | -21.3169 | -1.05323 | 22 | 1 | Pose |