40 compounds in matrix
240 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 | T08 | T09 | T10 | T11 | T14 | T15 | T16 | T17 | T18 | T19 | T20 | T22 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OSA_Lib_201 | 0.916 | 0.916 | 1 | 0.92 | ||||||||||||||
| OSA_Lib_285 | 0.909 | 0.909 | 1 | 0.91 | ||||||||||||||
| OSA_Lib_2 | 0.898 | 0.898 | 1 | 0.90 | ||||||||||||||
| OSA_Lib_220 | 0.893 | 0.893 | 1 | 0.89 | ||||||||||||||
| OSA_Lib_217 | 0.887 | 0.887 | 1 | 0.89 | ||||||||||||||
| OSA_Lib_225 | 0.877 | 0.877 | 1 | 0.88 | ||||||||||||||
| OSA_Lib_200 | 0.876 | 0.842 | 2 | 0.81 | 0.88 | |||||||||||||
| OSA_Lib_201 | 0.873 | 0.873 | 1 | 0.87 | ||||||||||||||
| OSA_Lib_202 | 0.873 | 0.873 | 1 | 0.87 | ||||||||||||||
| OSA_Lib_245 | 0.872 | 0.872 | 1 | 0.87 | ||||||||||||||
| OSA_Lib_217 | 0.871 | 0.871 | 1 | 0.87 | ||||||||||||||
| OSA_Lib_219 | 0.871 | 0.871 | 1 | 0.87 | ||||||||||||||
| OSA_Lib_279 | 0.867 | 0.867 | 1 | 0.87 | ||||||||||||||
| OSA_Lib_231 | 0.866 | 0.866 | 1 | 0.87 | ||||||||||||||
| OSA_Lib_20 | 0.865 | 0.829 | 2 | 0.87 | 0.79 | |||||||||||||
| OSA_Lib_277 | 0.861 | 0.861 | 1 | 0.86 | ||||||||||||||
| OSA_Lib_272 | 0.861 | 0.855 | 2 | 0.86 | 0.85 | |||||||||||||
| OSA_Lib_202 | 0.861 | 0.838 | 2 | 0.86 | 0.82 | |||||||||||||
| OSA_Lib_26 | 0.860 | 0.860 | 1 | 0.86 | ||||||||||||||
| OSA_Lib_252 | 0.860 | 0.832 | 3 | 0.86 | 0.84 | 0.79 | ||||||||||||
| OSA_Lib_225 | 0.859 | 0.859 | 1 | 0.86 | ||||||||||||||
| OSA_Lib_218 | 0.858 | 0.858 | 1 | 0.86 | ||||||||||||||
| OSA_Lib_240 | 0.856 | 0.856 | 1 | 0.86 | ||||||||||||||
| OSA_Lib_224 | 0.855 | 0.820 | 3 | 0.83 | 0.78 | 0.86 | ||||||||||||
| OSA_Lib_235 | 0.855 | 0.855 | 2 | 0.86 | 0.86 | |||||||||||||
| OSA_Lib_245 | 0.855 | 0.855 | 1 | 0.86 | ||||||||||||||
| OSA_Lib_263 | 0.855 | 0.855 | 1 | 0.86 | ||||||||||||||
| OSA_Lib_252 | 0.855 | 0.842 | 2 | 0.85 | 0.83 | |||||||||||||
| OSA_Lib_205 | 0.853 | 0.853 | 1 | 0.85 | ||||||||||||||
| OSA_Lib_264 | 0.852 | 0.852 | 1 | 0.85 | ||||||||||||||
| OSA_Lib_278 | 0.850 | 0.850 | 1 | 0.85 | ||||||||||||||
| OSA_Lib_222 | 0.850 | 0.804 | 2 | 0.85 | 0.76 | |||||||||||||
| OSA_Lib_253 | 0.848 | 0.848 | 1 | 0.85 | ||||||||||||||
| OSA_Lib_276 | 0.848 | 0.848 | 1 | 0.85 | ||||||||||||||
| OSA_Lib_277 | 0.848 | 0.848 | 1 | 0.85 | ||||||||||||||
| OSA_Lib_26 | 0.846 | 0.815 | 3 | 0.80 | 0.80 | 0.85 | ||||||||||||
| OSA_Lib_277 | 0.846 | 0.846 | 1 | 0.85 | ||||||||||||||
| OSA_Lib_28 | 0.846 | 0.846 | 1 | 0.85 | ||||||||||||||
| OSA_Lib_226 | 0.845 | 0.840 | 2 | 0.83 | 0.85 | |||||||||||||
| OSA_Lib_226 | 0.845 | 0.845 | 1 | 0.84 |
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_201 | T17 native IFP available |
T17 selection_import_t17 |
0.916 | 1.000 | 0.761 | native_similarity | final_rank_score | -13.868 | -0.587769 | 17 | 3 | Pose |
| OSA_Lib_285 | T17 native IFP available |
T17 selection_import_t17 |
0.909 | 1.000 | 0.740 | native_similarity | final_rank_score | -22.0002 | -0.719274 | 19 | 1 | Pose |
| OSA_Lib_2 | T01 native IFP available |
T01 selection_import_t01 |
0.898 | 1.000 | 0.709 | native_similarity | final_rank_score | -26.6624 | -0.763447 | 21 | 1 | Pose |
| OSA_Lib_220 | T10 native IFP available |
T10 selection_import_t10 |
0.893 | 1.000 | 0.695 | native_similarity | final_rank_score | -19.6643 | -0.662534 | 15 | 7 | Pose |
| OSA_Lib_217 | T10 native IFP available |
T10 selection_import_t10 |
0.887 | 1.000 | 0.676 | native_similarity | final_rank_score | -20.1553 | -0.63714 | 15 | 7 | Pose |
| OSA_Lib_225 | T01 native IFP available |
T01 selection_import_t01 |
0.877 | 1.000 | 0.649 | native_similarity | final_rank_score | -24.6173 | -0.680064 | 21 | 2 | Pose |
| OSA_Lib_200 | T17 native IFP available |
T17 selection_import_t17 |
0.876 | 1.000 | 0.645 | native_similarity | final_rank_score | -8.28822 | -0.675255 | 18 | 2 | Pose |
| OSA_Lib_202 | T10 native IFP available |
T10 selection_import_t10 |
0.873 | 1.000 | 0.636 | native_similarity | final_rank_score | -17.1413 | -0.73519 | 14 | 7 | Pose |
| OSA_Lib_201 | T10 native IFP available |
T10 selection_import_t10 |
0.873 | 1.000 | 0.636 | native_similarity | final_rank_score | -25.8413 | -0.694205 | 14 | 7 | Pose |
| OSA_Lib_245 | T01 native IFP available |
T01 selection_import_t01 |
0.872 | 1.000 | 0.634 | native_similarity | final_rank_score | -28.6683 | -0.721526 | 22 | 1 | Pose |
| OSA_Lib_217 | T02 native IFP available |
T02 selection_import_t02 |
0.871 | 1.000 | 0.630 | native_similarity | final_rank_score | -24.814 | -0.667518 | 20 | 2 | Pose |
| OSA_Lib_219 | T03 native IFP available |
T03 selection_import_t03 |
0.871 | 1.000 | 0.630 | native_similarity | final_rank_score | -22.1005 | -0.768061 | 22 | 1 | Pose |
| OSA_Lib_279 | T09 native IFP available |
T09 selection_import_t09 |
0.867 | 1.000 | 0.620 | native_similarity | final_rank_score | -25.5804 | -0.854997 | 20 | 2 | Pose |
| OSA_Lib_231 | T01 native IFP available |
T01 selection_import_t01 |
0.866 | 1.000 | 0.617 | native_similarity | final_rank_score | -26.7734 | -0.786355 | 20 | 0 | Pose |
| OSA_Lib_20 | T03 native IFP available |
T03 selection_import_t03 |
0.865 | 1.000 | 0.615 | native_similarity | final_rank_score | -23.0834 | -0.760862 | 22 | 0 | Pose |
| OSA_Lib_272 | T02 native IFP available |
T02 selection_import_t02 |
0.861 | 1.000 | 0.602 | native_similarity | final_rank_score | -24.8223 | -0.798251 | 21 | 0 | Pose |
| OSA_Lib_277 | T02 native IFP available |
T02 selection_import_t02 |
0.861 | 1.000 | 0.602 | native_similarity | final_rank_score | -23.3202 | -0.785071 | 21 | 1 | Pose |
| OSA_Lib_202 | T02 native IFP available |
T02 selection_import_t02 |
0.861 | 1.000 | 0.602 | native_similarity | final_rank_score | -11.1864 | -0.729934 | 21 | 2 | Pose |
| OSA_Lib_26 | T17 native IFP available |
T17 selection_import_t17 |
0.860 | 1.000 | 0.600 | native_similarity | final_rank_score | -20.4431 | -0.695238 | 16 | 3 | Pose |
| OSA_Lib_252 | T02 native IFP available |
T02 selection_import_t02 |
0.860 | 1.000 | 0.600 | native_similarity | final_rank_score | -29.8314 | -0.69943 | 18 | 1 | Pose |
| OSA_Lib_225 | T03 native IFP available |
T03 selection_import_t03 |
0.859 | 1.000 | 0.598 | native_similarity | final_rank_score | -26.8488 | -0.710112 | 21 | 2 | Pose |
| OSA_Lib_218 | T03 native IFP available |
T03 selection_import_t03 |
0.858 | 1.000 | 0.595 | native_similarity | final_rank_score | -13.4716 | -0.696341 | 19 | 2 | Pose |
| OSA_Lib_240 | T22 native IFP available |
T22 selection_import_t22 |
0.856 | 1.000 | 0.588 | native_similarity | final_rank_score | -29.3871 | -0.89003 | 18 | 6 | Pose |
| OSA_Lib_224 | T22 native IFP available |
T22 selection_import_t22 |
0.855 | 1.000 | 0.586 | native_similarity | final_rank_score | -28.5768 | -0.806554 | 22 | 5 | Pose |
| OSA_Lib_235 | T01 native IFP available |
T01 selection_import_t01 |
0.855 | 1.000 | 0.586 | native_similarity | final_rank_score | -23.0888 | -0.826832 | 20 | 3 | Pose |
| OSA_Lib_235 | T02 native IFP available |
T02 selection_import_t02 |
0.855 | 1.000 | 0.586 | native_similarity | final_rank_score | -22.4912 | -0.84579 | 20 | 3 | Pose |
| OSA_Lib_263 | T02 native IFP available |
T02 selection_import_t02 |
0.855 | 1.000 | 0.586 | native_similarity | final_rank_score | -28.4625 | -0.744747 | 20 | 1 | Pose |
| OSA_Lib_245 | T02 native IFP available |
T02 selection_import_t02 |
0.855 | 1.000 | 0.586 | native_similarity | final_rank_score | -24.1484 | -0.714665 | 20 | 3 | Pose |
| OSA_Lib_252 | T01 native IFP available |
T01 selection_import_t01 |
0.855 | 1.000 | 0.584 | native_similarity | final_rank_score | -25.7846 | -0.726983 | 19 | 0 | Pose |
| OSA_Lib_205 | T09 native IFP available |
T09 selection_import_t09 |
0.853 | 1.000 | 0.579 | native_similarity | final_rank_score | -20.475 | -0.89529 | 22 | 3 | Pose |
| OSA_Lib_264 | T15 native IFP available |
T15 selection_import_t15 |
0.852 | 1.000 | 0.577 | native_similarity | final_rank_score | -24.0953 | -0.68486 | 15 | 2 | Pose |
| OSA_Lib_272 | T09 native IFP available |
T09 selection_import_t09 |
0.850 | 1.000 | 0.570 | native_similarity | final_rank_score | -28.0447 | -0.921161 | 20 | 1 | Pose |
| OSA_Lib_278 | T09 native IFP available |
T09 selection_import_t09 |
0.850 | 1.000 | 0.570 | native_similarity | final_rank_score | -23.5085 | -0.825993 | 20 | 1 | Pose |
| OSA_Lib_222 | T03 native IFP available |
T03 selection_import_t03 |
0.850 | 1.000 | 0.570 | native_similarity | final_rank_score | -24.4334 | -0.827578 | 22 | 0 | Pose |
| OSA_Lib_276 | T01 native IFP available |
T01 selection_import_t01 |
0.848 | 1.000 | 0.567 | native_similarity | final_rank_score | -26.499 | -1.1309 | 17 | 3 | Pose |
| OSA_Lib_253 | T02 native IFP available |
T02 selection_import_t02 |
0.848 | 1.000 | 0.567 | native_similarity | final_rank_score | -24.6084 | -0.738174 | 17 | 1 | Pose |
| OSA_Lib_277 | T03 native IFP available |
T03 selection_import_t03 |
0.848 | 1.000 | 0.567 | native_similarity | final_rank_score | -26.5027 | -0.839785 | 20 | 1 | Pose |
| OSA_Lib_26 | T22 native IFP available |
T22 selection_import_t22 |
0.846 | 1.000 | 0.561 | native_similarity | final_rank_score | -29.3078 | -0.967616 | 18 | 5 | Pose |
| OSA_Lib_28 | T03 native IFP available |
T03 selection_import_t03 |
0.846 | 1.000 | 0.560 | native_similarity | final_rank_score | -25.6924 | -0.83178 | 16 | 0 | Pose |
| OSA_Lib_277 | T14 native IFP available |
T14 selection_import_t14 |
0.846 | 1.000 | 0.560 | native_similarity | final_rank_score | -20.825 | -0.64557 | 16 | 5 | Pose |
| OSA_Lib_226 | T03 native IFP available |
T03 selection_import_t03 |
0.845 | 1.000 | 0.558 | native_similarity | final_rank_score | -20.9738 | -0.727994 | 17 | 2 | Pose |
| OSA_Lib_226 | T01 native IFP available |
T01 selection_import_t01 |
0.845 | 1.000 | 0.557 | native_similarity | final_rank_score | -21.6309 | -0.739617 | 21 | 1 | Pose |
| OSA_Lib_220 | T01 native IFP available |
T01 selection_import_t01 |
0.845 | 1.000 | 0.557 | native_similarity | final_rank_score | -21.9656 | -0.671415 | 21 | 0 | Pose |
| OSA_Lib_238 | T02 native IFP available |
T02 selection_import_t02 |
0.845 | 1.000 | 0.557 | native_similarity | final_rank_score | -24.9055 | -0.796142 | 21 | 1 | Pose |
| OSA_Lib_280 | T01 native IFP available |
T01 selection_import_t01 |
0.843 | 1.000 | 0.552 | native_similarity | final_rank_score | -22.4328 | -0.818756 | 18 | 1 | Pose |
| OSA_Lib_281 | T02 native IFP available |
T02 selection_import_t02 |
0.843 | 1.000 | 0.552 | native_similarity | final_rank_score | -21.863 | -0.829289 | 18 | 1 | Pose |
| OSA_Lib_252 | T03 native IFP available |
T03 selection_import_t03 |
0.843 | 1.000 | 0.551 | native_similarity | final_rank_score | -22.7585 | -0.763312 | 20 | 0 | Pose |
| OSA_Lib_221 | T20 native IFP available |
T20 selection_import_t20 |
0.841 | 1.000 | 0.546 | native_similarity | final_rank_score | -19.2125 | -0.511812 | 13 | 2 | Pose |
| OSA_Lib_232 | T03 native IFP available |
T03 selection_import_t03 |
0.841 | 1.000 | 0.545 | native_similarity | final_rank_score | -22.1825 | -0.686204 | 17 | 2 | Pose |
| OSA_Lib_263 | T15 native IFP available |
T15 selection_import_t15 |
0.840 | 1.000 | 0.544 | native_similarity | final_rank_score | -24.1535 | -0.63391 | 17 | 1 | Pose |
| OSA_Lib_254 | T15 native IFP available |
T15 selection_import_t15 |
0.840 | 1.000 | 0.544 | native_similarity | final_rank_score | -24.3563 | -0.740026 | 17 | 2 | Pose |
| OSA_Lib_219 | T18 native IFP available |
T18 selection_import_t18 |
0.840 | 1.000 | 0.544 | native_similarity | final_rank_score | -23.0789 | -0.681123 | 17 | 2 | Pose |
| OSA_Lib_218 | T18 native IFP available |
T18 selection_import_t18 |
0.840 | 1.000 | 0.544 | native_similarity | final_rank_score | -21.5858 | -0.593154 | 17 | 2 | Pose |
| OSA_Lib_237 | T20 native IFP available |
T20 selection_import_t20 |
0.840 | 1.000 | 0.542 | native_similarity | final_rank_score | -17.3348 | -0.565989 | 9 | 2 | Pose |
| OSA_Lib_241 | T11 native IFP available |
T11 selection_import_t11 |
0.840 | 1.000 | 0.542 | native_similarity | final_rank_score | -22.7071 | -0.669135 | 15 | 1 | Pose |
| OSA_Lib_223 | T03 native IFP available |
T03 selection_import_t03 |
0.838 | 1.000 | 0.538 | native_similarity | final_rank_score | -22.4107 | -0.699568 | 21 | 2 | Pose |
| OSA_Lib_228 | T03 native IFP available |
T03 selection_import_t03 |
0.837 | 1.000 | 0.535 | native_similarity | final_rank_score | -22.9737 | -0.812916 | 19 | 1 | Pose |
| OSA_Lib_252 | T16 native IFP available |
T16 selection_import_t16 |
0.837 | 1.000 | 0.534 | native_similarity | final_rank_score | -21.3344 | -0.689889 | 16 | 1 | Pose |
| OSA_Lib_277 | T17 native IFP available |
T17 selection_import_t17 |
0.836 | 1.000 | 0.532 | native_similarity | final_rank_score | -22.6041 | -0.66938 | 20 | 3 | Pose |
| OSA_Lib_232 | T17 native IFP available |
T17 selection_import_t17 |
0.836 | 1.000 | 0.532 | native_similarity | final_rank_score | -22.7242 | -0.639314 | 20 | 3 | Pose |
| OSA_Lib_240 | T15 native IFP available |
T15 selection_import_t15 |
0.835 | 1.000 | 0.530 | native_similarity | final_rank_score | -27.8096 | -0.733456 | 18 | 2 | Pose |
| OSA_Lib_220 | T15 native IFP available |
T15 selection_import_t15 |
0.835 | 1.000 | 0.530 | native_similarity | final_rank_score | -21.3838 | -0.614947 | 18 | 1 | Pose |
| OSA_Lib_223 | T22 native IFP available |
T22 selection_import_t22 |
0.835 | 1.000 | 0.529 | native_similarity | final_rank_score | -28.727 | -0.824362 | 22 | 4 | Pose |
| OSA_Lib_211 | T15 native IFP available |
T15 selection_import_t15 |
0.835 | 1.000 | 0.529 | native_similarity | final_rank_score | -22.9148 | -0.832375 | 14 | 3 | Pose |
| OSA_Lib_204 | T15 native IFP available |
T15 selection_import_t15 |
0.835 | 1.000 | 0.529 | native_similarity | final_rank_score | -25.2225 | -0.871491 | 14 | 3 | Pose |
| OSA_Lib_224 | T20 native IFP available |
T20 selection_import_t20 |
0.835 | 1.000 | 0.529 | native_similarity | final_rank_score | -13.427 | -0.576318 | 14 | 2 | Pose |
| OSA_Lib_222 | T17 native IFP available |
T17 selection_import_t17 |
0.835 | 1.000 | 0.529 | native_similarity | final_rank_score | -17.8542 | -0.635379 | 21 | 3 | Pose |
| OSA_Lib_226 | T17 native IFP available |
T17 selection_import_t17 |
0.835 | 1.000 | 0.529 | native_similarity | final_rank_score | -19.5311 | -0.606439 | 21 | 2 | Pose |
| OSA_Lib_28 | T01 native IFP available |
T01 selection_import_t01 |
0.834 | 1.000 | 0.526 | native_similarity | final_rank_score | -26.1461 | -0.843661 | 20 | 0 | Pose |
| OSA_Lib_242 | T02 native IFP available |
T02 selection_import_t02 |
0.834 | 1.000 | 0.526 | native_similarity | final_rank_score | -22.2202 | -0.723879 | 20 | 1 | Pose |
| OSA_Lib_226 | T02 native IFP available |
T02 selection_import_t02 |
0.834 | 1.000 | 0.526 | native_similarity | final_rank_score | -25.5294 | -0.760049 | 20 | 1 | Pose |
| OSA_Lib_228 | T02 native IFP available |
T02 selection_import_t02 |
0.834 | 1.000 | 0.526 | native_similarity | final_rank_score | -25.5571 | -0.790681 | 20 | 1 | Pose |
| OSA_Lib_227 | T03 native IFP available |
T03 selection_import_t03 |
0.834 | 1.000 | 0.525 | native_similarity | final_rank_score | -21.36 | -0.750792 | 16 | 2 | Pose |
| OSA_Lib_225 | T02 native IFP available |
T02 selection_import_t02 |
0.834 | 1.000 | 0.524 | native_similarity | final_rank_score | -25.4428 | -0.705863 | 18 | 2 | Pose |
| OSA_Lib_28 | T08 native IFP available |
T08 selection_import_t08 |
0.833 | 1.000 | 0.523 | native_similarity | final_rank_score | -32.3895 | -1.08289 | 17 | 1 | Pose |
| OSA_Lib_263 | T16 native IFP available |
T16 selection_import_t16 |
0.832 | 1.000 | 0.519 | native_similarity | final_rank_score | -23.1669 | -0.629107 | 17 | 1 | Pose |
| OSA_Lib_218 | T16 native IFP available |
T16 selection_import_t16 |
0.832 | 1.000 | 0.519 | native_similarity | final_rank_score | -19.1066 | -0.636385 | 17 | 1 | Pose |
| OSA_Lib_225 | T17 native IFP available |
T17 selection_import_t17 |
0.831 | 1.000 | 0.518 | native_similarity | final_rank_score | -17.8882 | -0.624816 | 22 | 2 | Pose |
| OSA_Lib_240 | T20 native IFP available |
T20 selection_import_t20 |
0.831 | 1.000 | 0.517 | native_similarity | final_rank_score | -19.0836 | -0.543263 | 10 | 3 | Pose |
| OSA_Lib_241 | T01 native IFP available |
T01 selection_import_t01 |
0.830 | 1.000 | 0.515 | native_similarity | final_rank_score | -22.3227 | -0.714359 | 21 | 0 | Pose |
| OSA_Lib_230 | T01 native IFP available |
T01 selection_import_t01 |
0.830 | 1.000 | 0.515 | native_similarity | final_rank_score | -22.812 | -0.767647 | 21 | 1 | Pose |
| OSA_Lib_230 | T02 native IFP available |
T02 selection_import_t02 |
0.830 | 1.000 | 0.515 | native_similarity | final_rank_score | -25.0703 | -0.821237 | 21 | 1 | Pose |
| OSA_Lib_246 | T02 native IFP available |
T02 selection_import_t02 |
0.830 | 1.000 | 0.515 | native_similarity | final_rank_score | -24.4199 | -0.787379 | 21 | 1 | Pose |
| OSA_Lib_231 | T02 native IFP available |
T02 selection_import_t02 |
0.830 | 1.000 | 0.515 | native_similarity | final_rank_score | -24.7244 | -0.809958 | 21 | 1 | Pose |
| OSA_Lib_221 | T02 native IFP available |
T02 selection_import_t02 |
0.830 | 1.000 | 0.515 | native_similarity | final_rank_score | -17.5696 | -0.724157 | 21 | 2 | Pose |
| OSA_Lib_252 | T20 native IFP available |
T20 selection_import_t20 |
0.830 | 1.000 | 0.513 | native_similarity | final_rank_score | -20.642 | -0.582162 | 15 | 2 | Pose |
| OSA_Lib_253 | T20 native IFP available |
T20 selection_import_t20 |
0.830 | 1.000 | 0.513 | native_similarity | final_rank_score | -16.8562 | -0.56442 | 15 | 1 | Pose |
| OSA_Lib_201 | T01 native IFP available |
T01 selection_import_t01 |
0.827 | 1.000 | 0.507 | native_similarity | final_rank_score | -14.2745 | -0.711434 | 18 | 1 | Pose |
| OSA_Lib_281 | T09 native IFP available |
T09 selection_import_t09 |
0.827 | 1.000 | 0.507 | native_similarity | final_rank_score | -23.2483 | -0.833756 | 18 | 1 | Pose |
| OSA_Lib_285 | T09 native IFP available |
T09 selection_import_t09 |
0.827 | 1.000 | 0.507 | native_similarity | final_rank_score | -25.6467 | -0.855168 | 18 | 1 | Pose |
| OSA_Lib_231 | T03 native IFP available |
T03 selection_import_t03 |
0.827 | 1.000 | 0.507 | native_similarity | final_rank_score | -23.9835 | -0.85085 | 20 | 0 | Pose |
| OSA_Lib_263 | T03 native IFP available |
T03 selection_import_t03 |
0.827 | 1.000 | 0.507 | native_similarity | final_rank_score | -23.7002 | -0.715702 | 20 | 1 | Pose |
| OSA_Lib_224 | T03 native IFP available |
T03 selection_import_t03 |
0.827 | 1.000 | 0.507 | native_similarity | final_rank_score | -22.4918 | -0.707408 | 20 | 0 | Pose |
| OSA_Lib_232 | T16 native IFP available |
T16 selection_import_t16 |
0.827 | 1.000 | 0.507 | native_similarity | final_rank_score | -19.7774 | -0.596456 | 18 | 1 | Pose |
| OSA_Lib_229 | T17 native IFP available |
T17 selection_import_t17 |
0.827 | 1.000 | 0.507 | native_similarity | final_rank_score | -22.5133 | -0.669043 | 18 | 3 | Pose |
| OSA_Lib_221 | T17 native IFP available |
T17 selection_import_t17 |
0.827 | 1.000 | 0.507 | native_similarity | final_rank_score | -16.7535 | -0.63384 | 18 | 4 | Pose |
| OSA_Lib_28 | T16 native IFP available |
T16 selection_import_t16 |
0.825 | 1.000 | 0.500 | native_similarity | final_rank_score | -21.5739 | -0.738868 | 14 | 2 | Pose |
| OSA_Lib_239 | T15 native IFP available |
T15 selection_import_t15 |
0.824 | 1.000 | 0.498 | native_similarity | final_rank_score | -24.083 | -0.82726 | 16 | 3 | Pose |
| OSA_Lib_252 | T15 native IFP available |
T15 selection_import_t15 |
0.824 | 1.000 | 0.498 | native_similarity | final_rank_score | -21.5444 | -0.677867 | 16 | 1 | Pose |
| OSA_Lib_217 | T18 native IFP available |
T18 selection_import_t18 |
0.824 | 1.000 | 0.498 | native_similarity | final_rank_score | -20.298 | -0.579684 | 16 | 2 | Pose |
| OSA_Lib_21 | T18 native IFP available |
T18 selection_import_t18 |
0.824 | 1.000 | 0.498 | native_similarity | final_rank_score | -19.4954 | -0.563468 | 16 | 2 | Pose |
| OSA_Lib_246 | T03 native IFP available |
T03 selection_import_t03 |
0.824 | 1.000 | 0.496 | native_similarity | final_rank_score | -24.6908 | -0.850919 | 21 | 0 | Pose |
| OSA_Lib_228 | T20 native IFP available |
T20 selection_import_t20 |
0.824 | 1.000 | 0.496 | native_similarity | final_rank_score | -17.5529 | -0.555828 | 11 | 3 | Pose |
| OSA_Lib_227 | T01 native IFP available |
T01 selection_import_t01 |
0.823 | 1.000 | 0.495 | native_similarity | final_rank_score | -24.5943 | -0.769084 | 19 | 1 | Pose |
| OSA_Lib_277 | T01 native IFP available |
T01 selection_import_t01 |
0.823 | 1.000 | 0.495 | native_similarity | final_rank_score | -22.529 | -0.791665 | 19 | 1 | Pose |
| OSA_Lib_28 | T02 native IFP available |
T02 selection_import_t02 |
0.823 | 1.000 | 0.495 | native_similarity | final_rank_score | -26.2076 | -0.84473 | 19 | 0 | Pose |
| OSA_Lib_229 | T02 native IFP available |
T02 selection_import_t02 |
0.823 | 1.000 | 0.495 | native_similarity | final_rank_score | -26.413 | -0.713006 | 19 | 0 | Pose |
| OSA_Lib_273 | T09 native IFP available |
T09 selection_import_t09 |
0.823 | 1.000 | 0.495 | native_similarity | final_rank_score | -21.49 | -0.862925 | 19 | 1 | Pose |
| OSA_Lib_253 | T01 native IFP available |
T01 selection_import_t01 |
0.823 | 1.000 | 0.493 | native_similarity | final_rank_score | -24.9123 | -0.845971 | 17 | 1 | Pose |
| OSA_Lib_225 | T11 native IFP available |
T11 selection_import_t11 |
0.821 | 1.000 | 0.488 | native_similarity | final_rank_score | -21.6491 | -0.637762 | 18 | 2 | Pose |
| OSA_Lib_226 | T11 native IFP available |
T11 selection_import_t11 |
0.821 | 1.000 | 0.488 | native_similarity | final_rank_score | -23.1821 | -0.68048 | 18 | 2 | Pose |
| OSA_Lib_234 | T15 native IFP available |
T15 selection_import_t15 |
0.820 | 1.000 | 0.485 | native_similarity | final_rank_score | -21.2783 | -0.738741 | 17 | 2 | Pose |
| OSA_Lib_237 | T15 native IFP available |
T15 selection_import_t15 |
0.820 | 1.000 | 0.485 | native_similarity | final_rank_score | -23.5332 | -0.781418 | 17 | 2 | Pose |
| OSA_Lib_227 | T16 native IFP available |
T16 selection_import_t16 |
0.820 | 1.000 | 0.485 | native_similarity | final_rank_score | -22.4643 | -0.662206 | 15 | 2 | Pose |
| OSA_Lib_29 | T01 native IFP available |
T01 selection_import_t01 |
0.820 | 1.000 | 0.485 | native_similarity | final_rank_score | -14.5381 | -0.797413 | 20 | 2 | Pose |
| OSA_Lib_202 | T01 native IFP available |
T01 selection_import_t01 |
0.820 | 1.000 | 0.485 | native_similarity | final_rank_score | -16.1401 | -0.799654 | 20 | 3 | Pose |
| OSA_Lib_220 | T02 native IFP available |
T02 selection_import_t02 |
0.820 | 1.000 | 0.485 | native_similarity | final_rank_score | -21.5089 | -0.693149 | 20 | 1 | Pose |
| OSA_Lib_227 | T02 native IFP available |
T02 selection_import_t02 |
0.820 | 1.000 | 0.485 | native_similarity | final_rank_score | -19.0049 | -0.772931 | 20 | 1 | Pose |
| OSA_Lib_29 | T22 native IFP available |
T22 selection_import_t22 |
0.819 | 1.000 | 0.484 | native_similarity | final_rank_score | -21.565 | -1.01526 | 22 | 7 | Pose |
| OSA_Lib_255 | T01 native IFP available |
T01 selection_import_t01 |
0.819 | 1.000 | 0.484 | native_similarity | final_rank_score | -22.1302 | -0.784145 | 18 | 1 | Pose |
| OSA_Lib_254 | T01 native IFP available |
T01 selection_import_t01 |
0.819 | 1.000 | 0.484 | native_similarity | final_rank_score | -23.1342 | -0.770436 | 18 | 1 | Pose |
| OSA_Lib_266 | T15 native IFP available |
T15 selection_import_t15 |
0.818 | 1.000 | 0.481 | native_similarity | final_rank_score | -21.8592 | -0.737032 | 13 | 3 | Pose |
| OSA_Lib_263 | T20 native IFP available |
T20 selection_import_t20 |
0.817 | 1.000 | 0.478 | native_similarity | final_rank_score | -18.7757 | -0.512061 | 12 | 3 | Pose |
| OSA_Lib_22 | T08 native IFP available |
T08 selection_import_t08 |
0.816 | 1.000 | 0.476 | native_similarity | final_rank_score | -32.2834 | -1.20252 | 17 | 1 | Pose |
| OSA_Lib_209 | T22 native IFP available |
T22 selection_import_t22 |
0.816 | 1.000 | 0.476 | native_similarity | final_rank_score | -28.58 | -1.03493 | 17 | 7 | Pose |
| OSA_Lib_263 | T01 native IFP available |
T01 selection_import_t01 |
0.816 | 1.000 | 0.475 | native_similarity | final_rank_score | -26.7962 | -0.750136 | 19 | 1 | Pose |
| OSA_Lib_21 | T17 native IFP available |
T17 selection_import_t17 |
0.816 | 1.000 | 0.475 | native_similarity | final_rank_score | -22.173 | -0.711268 | 21 | 3 | Pose |
| OSA_Lib_20 | T17 native IFP available |
T17 selection_import_t17 |
0.816 | 1.000 | 0.475 | native_similarity | final_rank_score | -23.1802 | -0.658498 | 21 | 3 | Pose |
| OSA_Lib_223 | T17 native IFP available |
T17 selection_import_t17 |
0.816 | 1.000 | 0.475 | native_similarity | final_rank_score | -23.7216 | -0.574683 | 21 | 2 | Pose |
| OSA_Lib_230 | T16 native IFP available |
T16 selection_import_t16 |
0.815 | 1.000 | 0.472 | native_similarity | final_rank_score | -23.3646 | -0.675604 | 16 | 1 | Pose |
| OSA_Lib_244 | T17 native IFP available |
T17 selection_import_t17 |
0.815 | 1.000 | 0.472 | native_similarity | final_rank_score | -20.1053 | -0.604617 | 16 | 3 | Pose |
| OSA_Lib_202 | T03 native IFP available |
T03 selection_import_t03 |
0.815 | 1.000 | 0.472 | native_similarity | final_rank_score | -24.7766 | -0.782227 | 17 | 1 | Pose |
| OSA_Lib_219 | T17 native IFP available |
T17 selection_import_t17 |
0.813 | 1.000 | 0.466 | native_similarity | final_rank_score | -21.9818 | -0.624267 | 22 | 3 | Pose |
| OSA_Lib_28 | T15 native IFP available |
T15 selection_import_t15 |
0.813 | 1.000 | 0.466 | native_similarity | final_rank_score | -23.1681 | -0.741924 | 14 | 2 | Pose |
| OSA_Lib_265 | T16 native IFP available |
T16 selection_import_t16 |
0.811 | 1.000 | 0.461 | native_similarity | final_rank_score | -22.9115 | -0.68237 | 17 | 2 | Pose |
| OSA_Lib_260 | T16 native IFP available |
T16 selection_import_t16 |
0.811 | 1.000 | 0.461 | native_similarity | final_rank_score | -19.089 | -0.751878 | 17 | 3 | Pose |
| OSA_Lib_249 | T01 native IFP available |
T01 selection_import_t01 |
0.809 | 1.000 | 0.454 | native_similarity | final_rank_score | -26.3155 | -0.77713 | 19 | 1 | Pose |
| OSA_Lib_200 | T01 native IFP available |
T01 selection_import_t01 |
0.809 | 1.000 | 0.454 | native_similarity | final_rank_score | -21.7652 | -0.808218 | 19 | 2 | Pose |
| OSA_Lib_221 | T01 native IFP available |
T01 selection_import_t01 |
0.809 | 1.000 | 0.454 | native_similarity | final_rank_score | -19.8398 | -0.729625 | 19 | 1 | Pose |
| OSA_Lib_219 | T01 native IFP available |
T01 selection_import_t01 |
0.809 | 1.000 | 0.454 | native_similarity | final_rank_score | -23.3152 | -0.780355 | 19 | 2 | Pose |
| OSA_Lib_249 | T02 native IFP available |
T02 selection_import_t02 |
0.809 | 1.000 | 0.454 | native_similarity | final_rank_score | -24.0874 | -0.776677 | 19 | 1 | Pose |
| OSA_Lib_20 | T01 native IFP available |
T01 selection_import_t01 |
0.809 | 1.000 | 0.454 | native_similarity | final_rank_score | -27.1676 | -0.769983 | 17 | 3 | Pose |
| OSA_Lib_227 | T11 native IFP available |
T11 selection_import_t11 |
0.809 | 1.000 | 0.453 | native_similarity | final_rank_score | -22.4603 | -0.667348 | 17 | 2 | Pose |
| OSA_Lib_231 | T15 native IFP available |
T15 selection_import_t15 |
0.809 | 1.000 | 0.453 | native_similarity | final_rank_score | -21.9468 | -0.711918 | 15 | 2 | Pose |
| OSA_Lib_226 | T15 native IFP available |
T15 selection_import_t15 |
0.809 | 1.000 | 0.453 | native_similarity | final_rank_score | -24.5686 | -0.784897 | 15 | 3 | Pose |
| OSA_Lib_229 | T15 native IFP available |
T15 selection_import_t15 |
0.809 | 1.000 | 0.453 | native_similarity | final_rank_score | -29.0722 | -0.817267 | 15 | 3 | Pose |
| OSA_Lib_263 | T18 native IFP available |
T18 selection_import_t18 |
0.809 | 1.000 | 0.453 | native_similarity | final_rank_score | -23.1412 | -0.618458 | 15 | 1 | Pose |
| OSA_Lib_225 | T16 native IFP available |
T16 selection_import_t16 |
0.807 | 1.000 | 0.450 | native_similarity | final_rank_score | -23.1929 | -0.681408 | 18 | 2 | Pose |
| OSA_Lib_28 | T17 native IFP available |
T17 selection_import_t17 |
0.807 | 1.000 | 0.450 | native_similarity | final_rank_score | -23.4206 | -0.763769 | 18 | 1 | Pose |
| OSA_Lib_224 | T17 native IFP available |
T17 selection_import_t17 |
0.807 | 1.000 | 0.450 | native_similarity | final_rank_score | -21.8331 | -0.597903 | 18 | 5 | 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_233 | T16 native IFP available |
T16 selection_import_t16 |
0.807 | 1.000 | 0.450 | native_similarity | final_rank_score | -23.0986 | -0.844543 | 13 | 2 | Pose |
| OSA_Lib_229 | T16 native IFP available |
T16 selection_import_t16 |
0.807 | 1.000 | 0.450 | native_similarity | final_rank_score | -23.5531 | -0.676627 | 13 | 3 | Pose |
| OSA_Lib_201 | T02 native IFP available |
T02 selection_import_t02 |
0.806 | 1.000 | 0.445 | native_similarity | final_rank_score | -14.9799 | -0.702942 | 20 | 1 | Pose |
| OSA_Lib_277 | T08 native IFP available |
T08 selection_import_t08 |
0.806 | 1.000 | 0.445 | native_similarity | final_rank_score | -31.0639 | -0.933033 | 20 | 1 | Pose |
| OSA_Lib_277 | T09 native IFP available |
T09 selection_import_t09 |
0.805 | 1.000 | 0.444 | native_similarity | final_rank_score | -24.6304 | -0.777533 | 17 | 3 | Pose |
| OSA_Lib_23 | T03 native IFP available |
T03 selection_import_t03 |
0.805 | 1.000 | 0.443 | native_similarity | final_rank_score | -25.029 | -0.91664 | 18 | 2 | Pose |
| OSA_Lib_265 | T15 native IFP available |
T15 selection_import_t15 |
0.804 | 1.000 | 0.441 | native_similarity | final_rank_score | -22.7376 | -0.679368 | 16 | 1 | Pose |
| OSA_Lib_217 | T15 native IFP available |
T15 selection_import_t15 |
0.804 | 1.000 | 0.441 | native_similarity | final_rank_score | -17.7167 | -0.613147 | 16 | 1 | Pose |
| OSA_Lib_242 | T15 native IFP available |
T15 selection_import_t15 |
0.804 | 1.000 | 0.441 | native_similarity | final_rank_score | -22.9233 | -0.730896 | 16 | 3 | Pose |
| OSA_Lib_26 | T15 native IFP available |
T15 selection_import_t15 |
0.804 | 1.000 | 0.441 | native_similarity | final_rank_score | -24.3655 | -0.81667 | 16 | 5 | Pose |
| OSA_Lib_253 | T17 native IFP available |
T17 selection_import_t17 |
0.804 | 1.000 | 0.440 | native_similarity | final_rank_score | -20.6946 | -0.651223 | 19 | 1 | 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_204 | T16 native IFP available |
T16 selection_import_t16 |
0.803 | 1.000 | 0.437 | native_similarity | final_rank_score | -27.1277 | -0.830825 | 14 | 2 | Pose |
| OSA_Lib_235 | T16 native IFP available |
T16 selection_import_t16 |
0.803 | 1.000 | 0.437 | native_similarity | final_rank_score | -17.4698 | -0.694332 | 14 | 3 | Pose |
| OSA_Lib_25 | T16 native IFP available |
T16 selection_import_t16 |
0.803 | 1.000 | 0.437 | native_similarity | final_rank_score | -23.2121 | -0.909682 | 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 | -25.4789 | -0.899575 | 14 | 2 | Pose |
| OSA_Lib_26 | T03 native IFP available |
T03 selection_import_t03 |
0.802 | 1.000 | 0.434 | native_similarity | final_rank_score | -26.2889 | -0.883569 | 19 | 2 | Pose |
| OSA_Lib_242 | T01 native IFP available |
T01 selection_import_t01 |
0.802 | 1.000 | 0.433 | native_similarity | final_rank_score | -25.1631 | -0.73225 | 17 | 0 | Pose |
| OSA_Lib_228 | T01 native IFP available |
T01 selection_import_t01 |
0.802 | 1.000 | 0.433 | native_similarity | final_rank_score | -24.352 | -0.791555 | 17 | 1 | Pose |
| OSA_Lib_227 | T22 native IFP available |
T22 selection_import_t22 |
0.802 | 1.000 | 0.433 | native_similarity | final_rank_score | -26.5506 | -0.856316 | 18 | 3 | Pose |
| OSA_Lib_253 | T15 native IFP available |
T15 selection_import_t15 |
0.801 | 1.000 | 0.431 | native_similarity | final_rank_score | -25.5658 | -0.69535 | 17 | 2 | Pose |
| OSA_Lib_227 | T15 native IFP available |
T15 selection_import_t15 |
0.801 | 1.000 | 0.431 | native_similarity | final_rank_score | -22.423 | -0.700134 | 17 | 2 | Pose |
| OSA_Lib_247 | T15 native IFP available |
T15 selection_import_t15 |
0.801 | 1.000 | 0.431 | native_similarity | final_rank_score | -22.114 | -0.629109 | 17 | 2 | Pose |
| OSA_Lib_226 | T16 native IFP available |
T16 selection_import_t16 |
0.799 | 1.000 | 0.425 | native_similarity | final_rank_score | -17.0274 | -0.713993 | 15 | 3 | Pose |
| OSA_Lib_228 | T16 native IFP available |
T16 selection_import_t16 |
0.799 | 1.000 | 0.425 | native_similarity | final_rank_score | -21.7794 | -0.700144 | 15 | 2 | Pose |
| OSA_Lib_23 | T16 native IFP available |
T16 selection_import_t16 |
0.799 | 1.000 | 0.425 | native_similarity | final_rank_score | -24.7081 | -0.8543 | 15 | 4 | Pose |
| OSA_Lib_222 | T01 native IFP available |
T01 selection_import_t01 |
0.798 | 1.000 | 0.424 | native_similarity | final_rank_score | -22.4674 | -0.849326 | 18 | 2 | Pose |
| OSA_Lib_222 | T02 native IFP available |
T02 selection_import_t02 |
0.798 | 1.000 | 0.424 | native_similarity | final_rank_score | -16.0094 | -0.766017 | 18 | 2 | Pose |
| OSA_Lib_279 | T15 native IFP available |
T15 selection_import_t15 |
0.797 | 1.000 | 0.421 | native_similarity | final_rank_score | -21.2197 | -0.705441 | 18 | 0 | Pose |
| OSA_Lib_228 | T15 native IFP available |
T15 selection_import_t15 |
0.797 | 1.000 | 0.421 | native_similarity | final_rank_score | -21.53 | -0.72627 | 18 | 2 | Pose |
| OSA_Lib_230 | T15 native IFP available |
T15 selection_import_t15 |
0.797 | 1.000 | 0.419 | native_similarity | final_rank_score | -22.3371 | -0.677996 | 13 | 2 | Pose |
| OSA_Lib_246 | T15 native IFP available |
T15 selection_import_t15 |
0.797 | 1.000 | 0.419 | native_similarity | final_rank_score | -21.5301 | -0.728441 | 13 | 2 | Pose |
| OSA_Lib_263 | T17 native IFP available |
T17 selection_import_t17 |
0.796 | 1.000 | 0.417 | native_similarity | final_rank_score | -23.2254 | -0.608123 | 22 | 1 | Pose |
| OSA_Lib_209 | T01 native IFP available |
T01 selection_import_t01 |
0.795 | 1.000 | 0.415 | native_similarity | final_rank_score | -26.4921 | -0.904028 | 19 | 0 | Pose |
| OSA_Lib_26 | T16 native IFP available |
T16 selection_import_t16 |
0.795 | 1.000 | 0.414 | native_similarity | final_rank_score | -26.3644 | -0.803398 | 16 | 3 | Pose |
| OSA_Lib_266 | T16 native IFP available |
T16 selection_import_t16 |
0.795 | 1.000 | 0.414 | native_similarity | final_rank_score | -21.9645 | -0.695671 | 16 | 2 | Pose |
| OSA_Lib_20 | T15 native IFP available |
T15 selection_import_t15 |
0.793 | 1.000 | 0.408 | native_similarity | final_rank_score | -21.7469 | -0.705396 | 14 | 2 | Pose |
| OSA_Lib_241 | T15 native IFP available |
T15 selection_import_t15 |
0.793 | 1.000 | 0.408 | native_similarity | final_rank_score | -22.479 | -0.694403 | 14 | 2 | Pose |
| OSA_Lib_225 | T15 native IFP available |
T15 selection_import_t15 |
0.793 | 1.000 | 0.408 | native_similarity | final_rank_score | -24.2858 | -0.667904 | 14 | 2 | Pose |
| OSA_Lib_252 | T18 native IFP available |
T18 selection_import_t18 |
0.793 | 1.000 | 0.408 | native_similarity | final_rank_score | -23.2379 | -0.636106 | 14 | 1 | Pose |
| OSA_Lib_237 | T16 native IFP available |
T16 selection_import_t16 |
0.792 | 1.000 | 0.405 | native_similarity | final_rank_score | -23.7954 | -0.724602 | 17 | 4 | Pose |
| OSA_Lib_26 | T18 native IFP available |
T18 selection_import_t18 |
0.789 | 1.000 | 0.398 | native_similarity | final_rank_score | -21.5821 | -0.684866 | 10 | 1 | Pose |
| OSA_Lib_238 | T15 native IFP available |
T15 selection_import_t15 |
0.789 | 1.000 | 0.397 | native_similarity | final_rank_score | -20.2019 | -0.776526 | 15 | 1 | Pose |
| OSA_Lib_272 | T15 native IFP available |
T15 selection_import_t15 |
0.789 | 1.000 | 0.397 | native_similarity | final_rank_score | -20.7958 | -0.741395 | 15 | 2 | Pose |
| OSA_Lib_232 | T15 native IFP available |
T15 selection_import_t15 |
0.789 | 1.000 | 0.397 | native_similarity | final_rank_score | -24.9525 | -0.62489 | 15 | 4 | Pose |
| OSA_Lib_23 | T15 native IFP available |
T15 selection_import_t15 |
0.789 | 1.000 | 0.397 | native_similarity | final_rank_score | -31.4872 | -1.02901 | 15 | 6 | Pose |
| OSA_Lib_223 | T16 native IFP available |
T16 selection_import_t16 |
0.789 | 1.000 | 0.396 | native_similarity | final_rank_score | -24.88 | -0.688618 | 18 | 3 | Pose |
| OSA_Lib_285 | T15 native IFP available |
T15 selection_import_t15 |
0.786 | 1.000 | 0.388 | native_similarity | final_rank_score | -23.1293 | -0.765866 | 16 | 1 | Pose |
| OSA_Lib_243 | T15 native IFP available |
T15 selection_import_t15 |
0.786 | 1.000 | 0.388 | native_similarity | final_rank_score | -23.4442 | -0.783066 | 16 | 1 | Pose |
| OSA_Lib_273 | T15 native IFP available |
T15 selection_import_t15 |
0.786 | 1.000 | 0.388 | native_similarity | final_rank_score | -20.397 | -0.801961 | 16 | 1 | Pose |
| OSA_Lib_21 | T01 native IFP available |
T01 selection_import_t01 |
0.785 | 1.000 | 0.386 | native_similarity | final_rank_score | -24.8313 | -0.710922 | 18 | 1 | Pose |
| OSA_Lib_205 | T01 native IFP available |
T01 selection_import_t01 |
0.785 | 1.000 | 0.386 | native_similarity | final_rank_score | -26.2202 | -0.919161 | 18 | 0 | Pose |
| OSA_Lib_21 | T15 native IFP available |
T15 selection_import_t15 |
0.783 | 1.000 | 0.379 | native_similarity | final_rank_score | -22.391 | -0.683228 | 17 | 2 | Pose |
| OSA_Lib_205 | T16 native IFP available |
T16 selection_import_t16 |
0.782 | 1.000 | 0.378 | native_similarity | final_rank_score | -23.6707 | -0.833666 | 14 | 3 | Pose |
| OSA_Lib_206 | T16 native IFP available |
T16 selection_import_t16 |
0.782 | 1.000 | 0.378 | native_similarity | final_rank_score | -23.611 | -0.906967 | 14 | 2 | Pose |
| OSA_Lib_224 | T15 native IFP available |
T15 selection_import_t15 |
0.780 | 1.000 | 0.371 | native_similarity | final_rank_score | -25.51 | -0.748015 | 18 | 5 | Pose |
| OSA_Lib_223 | T15 native IFP available |
T15 selection_import_t15 |
0.780 | 1.000 | 0.371 | native_similarity | final_rank_score | -23.2661 | -0.764584 | 18 | 5 | Pose |
| OSA_Lib_224 | T16 native IFP available |
T16 selection_import_t16 |
0.779 | 1.000 | 0.368 | native_similarity | final_rank_score | -22.2369 | -0.653388 | 15 | 4 | Pose |
| OSA_Lib_22 | T16 native IFP available |
T16 selection_import_t16 |
0.779 | 1.000 | 0.368 | native_similarity | final_rank_score | -24.8828 | -0.910171 | 15 | 2 | Pose |
| OSA_Lib_234 | T16 native IFP available |
T16 selection_import_t16 |
0.779 | 1.000 | 0.368 | native_similarity | final_rank_score | -22.6455 | -0.674375 | 15 | 3 | Pose |
| OSA_Lib_289 | T15 native IFP available |
T15 selection_import_t15 |
0.777 | 1.000 | 0.362 | native_similarity | final_rank_score | -23.9178 | -0.907169 | 13 | 2 | Pose |
| OSA_Lib_233 | T15 native IFP available |
T15 selection_import_t15 |
0.777 | 1.000 | 0.362 | native_similarity | final_rank_score | -24.8506 | -0.889964 | 13 | 2 | Pose |
| OSA_Lib_223 | T18 native IFP available |
T18 selection_import_t18 |
0.777 | 1.000 | 0.362 | native_similarity | final_rank_score | -18.0771 | -0.543724 | 13 | 3 | Pose |
| OSA_Lib_21 | T16 native IFP available |
T16 selection_import_t16 |
0.776 | 1.000 | 0.360 | native_similarity | final_rank_score | -23.2827 | -0.663274 | 16 | 3 | Pose |
| OSA_Lib_240 | T16 native IFP available |
T16 selection_import_t16 |
0.776 | 1.000 | 0.360 | native_similarity | final_rank_score | -24.3379 | -0.730899 | 16 | 3 | Pose |
| OSA_Lib_214 | T15 native IFP available |
T15 selection_import_t15 |
0.774 | 1.000 | 0.353 | native_similarity | final_rank_score | -25.7805 | -0.938584 | 14 | 2 | Pose |
| OSA_Lib_224 | T18 native IFP available |
T18 selection_import_t18 |
0.774 | 1.000 | 0.353 | native_similarity | final_rank_score | -21.8986 | -0.638682 | 14 | 4 | Pose |
| OSA_Lib_209 | T16 native IFP available |
T16 selection_import_t16 |
0.773 | 1.000 | 0.352 | native_similarity | final_rank_score | -24.5376 | -0.865766 | 17 | 4 | Pose |
| OSA_Lib_220 | T16 native IFP available |
T16 selection_import_t16 |
0.773 | 1.000 | 0.352 | native_similarity | final_rank_score | -22.6201 | -0.608658 | 17 | 2 | Pose |
| OSA_Lib_22 | T17 native IFP available |
T17 selection_import_t17 |
0.773 | 1.000 | 0.352 | native_similarity | final_rank_score | -22.8169 | -0.797313 | 17 | 2 | Pose |
| OSA_Lib_254 | T16 native IFP available |
T16 selection_import_t16 |
0.771 | 1.000 | 0.345 | native_similarity | final_rank_score | -21.7001 | -0.671379 | 18 | 0 | Pose |
| OSA_Lib_22 | T15 native IFP available |
T15 selection_import_t15 |
0.771 | 1.000 | 0.345 | native_similarity | final_rank_score | -24.3276 | -0.877015 | 15 | 2 | Pose |
| OSA_Lib_27 | T15 native IFP available |
T15 selection_import_t15 |
0.771 | 1.000 | 0.345 | native_similarity | final_rank_score | -22.6085 | -0.888092 | 15 | 2 | Pose |
| OSA_Lib_238 | T16 native IFP available |
T16 selection_import_t16 |
0.766 | 1.000 | 0.331 | native_similarity | final_rank_score | -23.0597 | -0.712841 | 13 | 2 | Pose |
| OSA_Lib_27 | T16 native IFP available |
T16 selection_import_t16 |
0.766 | 1.000 | 0.331 | native_similarity | final_rank_score | -22.1195 | -0.857054 | 13 | 2 | Pose |
| OSA_Lib_264 | T16 native IFP available |
T16 selection_import_t16 |
0.766 | 1.000 | 0.331 | native_similarity | final_rank_score | -22.2947 | -0.659609 | 13 | 2 | Pose |
| OSA_Lib_239 | T16 native IFP available |
T16 selection_import_t16 |
0.766 | 1.000 | 0.331 | native_similarity | final_rank_score | -23.1358 | -0.768121 | 13 | 2 | Pose |
| OSA_Lib_238 | T18 native IFP available |
T18 selection_import_t18 |
0.764 | 1.000 | 0.326 | native_similarity | final_rank_score | -19.238 | -0.641736 | 11 | 2 | Pose |
| OSA_Lib_240 | T18 native IFP available |
T18 selection_import_t18 |
0.764 | 1.000 | 0.326 | native_similarity | final_rank_score | -22.7247 | -0.629745 | 11 | 3 | Pose |
| OSA_Lib_272 | T16 native IFP available |
T16 selection_import_t16 |
0.763 | 1.000 | 0.322 | native_similarity | final_rank_score | -26.959 | -0.775209 | 14 | 4 | Pose |
| OSA_Lib_211 | T16 native IFP available |
T16 selection_import_t16 |
0.763 | 1.000 | 0.322 | native_similarity | final_rank_score | -19.4208 | -0.83555 | 14 | 3 | Pose |
| OSA_Lib_253 | T16 native IFP available |
T16 selection_import_t16 |
0.760 | 1.000 | 0.315 | native_similarity | final_rank_score | -18.8883 | -0.679853 | 15 | 2 | Pose |
| OSA_Lib_279 | T16 native IFP available |
T16 selection_import_t16 |
0.760 | 1.000 | 0.315 | native_similarity | final_rank_score | -21.6679 | -0.699829 | 15 | 4 | Pose |
| OSA_Lib_225 | T18 native IFP available |
T18 selection_import_t18 |
0.758 | 1.000 | 0.309 | native_similarity | final_rank_score | -21.7264 | -0.573421 | 13 | 3 | Pose |
| OSA_Lib_222 | T16 native IFP available |
T16 selection_import_t16 |
0.758 | 1.000 | 0.308 | native_similarity | final_rank_score | -23.5602 | -0.676025 | 16 | 2 | Pose |
| OSA_Lib_278 | T16 native IFP available |
T16 selection_import_t16 |
0.758 | 1.000 | 0.308 | native_similarity | final_rank_score | -26.5573 | -0.835538 | 16 | 3 | Pose |
| OSA_Lib_281 | T16 native IFP available |
T16 selection_import_t16 |
0.758 | 1.000 | 0.308 | native_similarity | final_rank_score | -25.0495 | -0.75193 | 16 | 3 | Pose |
| OSA_Lib_280 | T16 native IFP available |
T16 selection_import_t16 |
0.758 | 1.000 | 0.308 | native_similarity | final_rank_score | -26.6748 | -0.882837 | 16 | 4 | Pose |