FAIRMol

Reverse docking explorer

Search one compound across many targets or scan the strongest compound-target pairs in the active database. The combined reverse-docking score uses a normalized docking-score estimator together with an interaction-fingerprint component.

DB SELECTIONExplorer results are being read from this database.
Compounds Docking experiments Protein structures
Reset
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 T01T02T03T08T09T10T11T14T15T16T17T18T19T20T22
OSA_Lib_201
[H][N+]1([C@@]23C[C@H](OC(=O)c4ccc5c(c4)OCO5)[C@@H]([C@@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CCCCC1
 0.916 0.916 1 0.92
OSA_Lib_285
[H]N1C[C@@H]2[C@@H](c3ccccc3)C[C@@](N(C)CC[N+]3([H])CCCCC3)(C[C@H]2c2ccccc2)C1
 0.909 0.909 1 0.91
OSA_Lib_2
[H][N+]1(CCN2CC[C@@]3([N+]4([H])CCCCC4)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CCCC1
 0.898 0.898 1 0.90
OSA_Lib_220
[H][N+]1(CCC(=O)O[C@@H]2C[C@]3([N+]4([H])CCCCC4)C[C@@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CCN(C)CC1
 0.893 0.893 1 0.89
OSA_Lib_217
[H][N+]1([C@]23C[C@H](c4ccccc4)[C@H]([C@H](OC(=O)CCCN4CCN(C)CC4)C2)[C@H](c2ccccc2)C3)CCCCC1
 0.887 0.887 1 0.89
OSA_Lib_225
[H][N+]1(C)CCN([C@]23CC[N@@+]([H])(CCCN4CCN(C)CC4)[C@H]([C@@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1
 0.877 0.877 1 0.88
OSA_Lib_200
[H][N+](C)(C)[C@@]12C[C@H](c3ccccc3)[C@@H]([C@H](OC(=O)/C=C/c3ccccc3)C1)[C@H](c1ccccc1)C2
 0.876 0.842 2 0.81 0.88
OSA_Lib_201
[H][N+]1([C@@]23C[C@H](c4ccccc4)[C@@H]([C@H](OC(=O)c4ccc5c(c4)OCO5)C2)[C@H](c2ccccc2)C3)CCCCC1
 0.873 0.873 1 0.87
OSA_Lib_202
[H][N+](C)(C)[C@@]12C[C@H](OC(=O)c3ccc4c(c3)OCO4)[C@@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2
 0.873 0.873 1 0.87
OSA_Lib_245
[H][N+]1(CC)CCN(CCN2CC[C@@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CC1
 0.872 0.872 1 0.87
OSA_Lib_217
[H][N+]1([C@]23C[C@H](OC(=O)CCCN4CCN(C)CC4)[C@H]([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CCCCC1
 0.871 0.871 1 0.87
OSA_Lib_219
[H][N+]1(CCCC(=O)O[C@@H]2C[C@]3([N+]([H])(C)C)C[C@@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CCN(C)CC1
 0.871 0.871 1 0.87
OSA_Lib_279
[H]N1C[C@H]2[C@@H](c3ccccc3)C[C@]([N@+]([H])(C)CCCN3CC[N+]([H])(C)CC3)(C[C@@H]2c2ccccc2)C1
 0.867 0.867 1 0.87
OSA_Lib_231
[H][N+](C)(C)[C@]12CCN(CCN3CCN(C)CC3)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2
 0.866 0.866 1 0.87
OSA_Lib_20
[H]N(C(=O)CCN1CC[N+]([H])(C)CC1)[C@@H]1C[C@]2([N+]([H])(C)C)C[C@@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2
 0.865 0.829 2 0.87 0.79
OSA_Lib_277
[H][N+]1(C)CCN(CCCC[N@+]([H])(C)[C@]23C[C@H](c4ccccc4)[C@H](C[N+]([H])([H])C2)[C@@H](c2ccccc2)C3)CC1
 0.861 0.861 1 0.86
OSA_Lib_272
[H]N1C[C@H]2[C@@H](c3ccccc3)C[C@]([N@+]([H])(C)CCN3CC[N+]([H])(C)CC3)(C[C@@H]2c2ccccc2)C1
 0.861 0.855 2 0.86 0.85
OSA_Lib_202
[H][N+](C)(C)[C@]12C[C@H](OC(=O)c3ccc4c(c3)OCO4)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2
 0.861 0.838 2 0.86 0.82
OSA_Lib_26
[H]N([H])C(=O)C[N@@+]1([H])CC[C@]2([N+]3([H])CCCC3)C[C@@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)C2
 0.860 0.860 1 0.86
OSA_Lib_252
[H][N+]1([C@]23C[C@@H](c4ccccc4)[C@H](CN(CCN4CCc5ccccc5C4)C2)[C@H](c2ccccc2)C3)CCCC1
 0.860 0.832 3 0.86 0.84 0.79
OSA_Lib_225
[H][N+]1(C)CCN([C@]23CC[N@+]([H])(CCCN4CCN(C)CC4)[C@H]([C@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1
 0.859 0.859 1 0.86
OSA_Lib_218
[H][N+]1(C)CCN(CCCC(=O)O[C@@H]2C[C@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CC1
 0.858 0.858 1 0.86
OSA_Lib_240
[H]N(C(=O)C[N+]1([H])CCCC1)[C@@H]1C[C@]2([N+]3([H])CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2
 0.856 0.856 1 0.86
OSA_Lib_224
[H]N(C(=O)CN1CC[N+]([H])(C)CC1)[C@H]1C[C@]2(N3CC[N+]([H])(C)CC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2
 0.855 0.820 3 0.83 0.78 0.86
OSA_Lib_235
[H][N+]1(CC[N+]([H])([H])[C@H]2C[C@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CCCC1
 0.855 0.855 2 0.86 0.86
OSA_Lib_245
[H][N+]1(CC)CCN(CC[N@@+]2([H])CC[C@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1
 0.855 0.855 1 0.86
OSA_Lib_263
[H][N+]1([C@@]23C[C@H](c4ccccc4)[C@@H](CN(C(=O)C[N@@+]4([H])CCc5ccccc5C4)C2)[C@H](c2ccccc2)C3)CCCC1
 0.855 0.855 1 0.86
OSA_Lib_252
[H][N+]1([C@]23C[C@@H](c4ccccc4)[C@H](CN(CC[N@+]4([H])CCc5ccccc5C4)C2)[C@H](c2ccccc2)C3)CCCC1
 0.855 0.842 2 0.85 0.83
OSA_Lib_205
[H]O/N=C1/C[C@]2([N+]3([H])CCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)C2
 0.853 0.853 1 0.85
OSA_Lib_264
[H][N+]1(C)CCN(CC(=O)N2C[C@H]3[C@@H](c4ccccc4)C[C@]([N+]4([H])CCCC4)(C[C@@H]3c3ccccc3)C2)CC1
 0.852 0.852 1 0.85
OSA_Lib_278
[H]N1C[C@H]2[C@@H](c3ccccc3)C[C@]([N@+]([H])(C)CCCC[N+]3([H])CCCC3)(C[C@@H]2c2ccccc2)C1
 0.850 0.850 1 0.85
OSA_Lib_222
[H][N+]1(CCC(=O)O[C@@H]2C[C@]3([N+]([H])(C)C)C[C@@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CCN(C)CC1
 0.850 0.804 2 0.85 0.76
OSA_Lib_253
[H][N+]1(C)CCN(CCN2C[C@H]3[C@H](c4ccccc4)C[C@]([N+]4([H])CCCC4)(C[C@H]3c3ccccc3)C2)CC1
 0.848 0.848 1 0.85
OSA_Lib_276
[H]N(C)[C@]12C[C@H](c3ccccc3)[C@H](C[N+]([H])([H])C1)[C@@H](c1ccccc1)C2
 0.848 0.848 1 0.85
OSA_Lib_277
[H][N+]1([H])C[C@H]2[C@@H](c3ccccc3)C[C@]([N@+]([H])(C)CCCCN3CC[N+]([H])(C)CC3)(C[C@H]2c2ccccc2)C1
 0.848 0.848 1 0.85
OSA_Lib_26
[H]N([H])C(=O)C[N@+]1([H])CC[C@]2([N+]3([H])CCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@@H](c1ccc(Cl)cc1)C2
 0.846 0.815 3 0.80 0.80 0.85
OSA_Lib_277
[H]N1C[C@@H]2[C@@H](c3ccccc3)C[C@@]([N@@+]([H])(C)CCCCN3CC[N+]([H])(C)CC3)(C[C@H]2c2ccccc2)C1
 0.846 0.846 1 0.85
OSA_Lib_28
[H][N+]1([H])CC[C@]2([N+]([H])(C)C)C[C@H](c3cccc4ccccc34)[C@H]1[C@H](c1cccc3ccccc13)C2
 0.846 0.846 1 0.85
OSA_Lib_226
[H][N+]1(CCCN2CC[C@@]3([N+]4([H])CCCCC4)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CCN(C)CC1
 0.845 0.840 2 0.83 0.85
OSA_Lib_226
[H][N+]1(CCC[N@+]2([H])CC[C@@]3([N+]4([H])CCCCC4)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CCN(C)CC1
 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.
CompoundTargetExperimentCombinedScore partIFP partIFP modeMetricDock scoreInter normContactsHB
OSA_Lib_201
[H][N+]1([C@@]23C[C@H](OC(=O)c4ccc5c(c4)OCO5)[C@@H]([C@@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CCCCC1
 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
[H]N1C[C@@H]2[C@@H](c3ccccc3)C[C@@](N(C)CC[N+]3([H])CCCCC3)(C[C@H]2c2ccccc2)C1
 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
[H][N+]1(CCN2CC[C@@]3([N+]4([H])CCCCC4)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CCCC1
 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
[H][N+]1(CCC(=O)O[C@@H]2C[C@]3([N+]4([H])CCCCC4)C[C@@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CCN(C)CC1
 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
[H][N+]1([C@]23C[C@H](c4ccccc4)[C@H]([C@H](OC(=O)CCCN4CCN(C)CC4)C2)[C@H](c2ccccc2)C3)CCCCC1
 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
[H][N+]1(C)CCN([C@]23CC[N@@+]([H])(CCCN4CCN(C)CC4)[C@H]([C@@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1
 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
[H][N+](C)(C)[C@@]12C[C@H](c3ccccc3)[C@@H]([C@H](OC(=O)/C=C/c3ccccc3)C1)[C@H](c1ccccc1)C2
 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
[H][N+](C)(C)[C@@]12C[C@H](OC(=O)c3ccc4c(c3)OCO4)[C@@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2
 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
[H][N+]1([C@@]23C[C@H](c4ccccc4)[C@@H]([C@H](OC(=O)c4ccc5c(c4)OCO5)C2)[C@H](c2ccccc2)C3)CCCCC1
 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
[H][N+]1(CC)CCN(CCN2CC[C@@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CC1
 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
[H][N+]1([C@]23C[C@H](OC(=O)CCCN4CCN(C)CC4)[C@H]([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CCCCC1
 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
[H][N+]1(CCCC(=O)O[C@@H]2C[C@]3([N+]([H])(C)C)C[C@@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CCN(C)CC1
 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
[H]N1C[C@H]2[C@@H](c3ccccc3)C[C@]([N@+]([H])(C)CCCN3CC[N+]([H])(C)CC3)(C[C@@H]2c2ccccc2)C1
 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
[H][N+](C)(C)[C@]12CCN(CCN3CCN(C)CC3)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2
 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
[H]N(C(=O)CCN1CC[N+]([H])(C)CC1)[C@@H]1C[C@]2([N+]([H])(C)C)C[C@@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2
 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
[H]N1C[C@H]2[C@@H](c3ccccc3)C[C@]([N@+]([H])(C)CCN3CC[N+]([H])(C)CC3)(C[C@@H]2c2ccccc2)C1
 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
[H][N+]1(C)CCN(CCCC[N@+]([H])(C)[C@]23C[C@H](c4ccccc4)[C@H](C[N+]([H])([H])C2)[C@@H](c2ccccc2)C3)CC1
 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
[H][N+](C)(C)[C@]12C[C@H](OC(=O)c3ccc4c(c3)OCO4)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2
 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
[H]N([H])C(=O)C[N@@+]1([H])CC[C@]2([N+]3([H])CCCC3)C[C@@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)C2
 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
[H][N+]1([C@]23C[C@@H](c4ccccc4)[C@H](CN(CCN4CCc5ccccc5C4)C2)[C@H](c2ccccc2)C3)CCCC1
 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
[H][N+]1(C)CCN([C@]23CC[N@+]([H])(CCCN4CCN(C)CC4)[C@H]([C@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1
 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
[H][N+]1(C)CCN(CCCC(=O)O[C@@H]2C[C@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CC1
 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
[H]N(C(=O)C[N+]1([H])CCCC1)[C@@H]1C[C@]2([N+]3([H])CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2
 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
[H]N(C(=O)CN1CC[N+]([H])(C)CC1)[C@H]1C[C@]2(N3CC[N+]([H])(C)CC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2
 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
[H][N+]1(CC[N+]([H])([H])[C@H]2C[C@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CCCC1
 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
[H][N+]1(CC[N+]([H])([H])[C@H]2C[C@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CCCC1
 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
[H][N+]1([C@@]23C[C@H](c4ccccc4)[C@@H](CN(C(=O)C[N@@+]4([H])CCc5ccccc5C4)C2)[C@H](c2ccccc2)C3)CCCC1
 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
[H][N+]1(CC)CCN(CC[N@@+]2([H])CC[C@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1
 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
[H][N+]1([C@]23C[C@@H](c4ccccc4)[C@H](CN(CC[N@+]4([H])CCc5ccccc5C4)C2)[C@H](c2ccccc2)C3)CCCC1
 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
[H]O/N=C1/C[C@]2([N+]3([H])CCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)C2
 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
[H][N+]1(C)CCN(CC(=O)N2C[C@H]3[C@@H](c4ccccc4)C[C@]([N+]4([H])CCCC4)(C[C@@H]3c3ccccc3)C2)CC1
 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
[H]N1C[C@H]2[C@@H](c3ccccc3)C[C@]([N@+]([H])(C)CCN3CC[N+]([H])(C)CC3)(C[C@@H]2c2ccccc2)C1
 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
[H]N1C[C@H]2[C@@H](c3ccccc3)C[C@]([N@+]([H])(C)CCCC[N+]3([H])CCCC3)(C[C@@H]2c2ccccc2)C1
 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
[H][N+]1(CCC(=O)O[C@@H]2C[C@]3([N+]([H])(C)C)C[C@@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CCN(C)CC1
 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
[H]N(C)[C@]12C[C@H](c3ccccc3)[C@H](C[N+]([H])([H])C1)[C@@H](c1ccccc1)C2
 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
[H][N+]1(C)CCN(CCN2C[C@H]3[C@H](c4ccccc4)C[C@]([N+]4([H])CCCC4)(C[C@H]3c3ccccc3)C2)CC1
 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
[H][N+]1([H])C[C@H]2[C@@H](c3ccccc3)C[C@]([N@+]([H])(C)CCCCN3CC[N+]([H])(C)CC3)(C[C@H]2c2ccccc2)C1
 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
[H]N([H])C(=O)C[N@+]1([H])CC[C@]2([N+]3([H])CCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@@H](c1ccc(Cl)cc1)C2
 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
[H][N+]1([H])CC[C@]2([N+]([H])(C)C)C[C@H](c3cccc4ccccc34)[C@H]1[C@H](c1cccc3ccccc13)C2
 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
[H]N1C[C@@H]2[C@@H](c3ccccc3)C[C@@]([N@@+]([H])(C)CCCCN3CC[N+]([H])(C)CC3)(C[C@H]2c2ccccc2)C1
 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
[H][N+]1(CCCN2CC[C@@]3([N+]4([H])CCCCC4)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CCN(C)CC1
 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
[H][N+]1(CCC[N@+]2([H])CC[C@@]3([N+]4([H])CCCCC4)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CCN(C)CC1
 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
[H][N+]1([C@]23C[C@H](OC(=O)CCN4CCN(C)CC4)[C@H]([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CCCCC1
 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
[H]N(C[N+]1([H])CCCC1)[C@@H]1C[C@]2([N+]3([H])CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2
 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
[H]N1C[C@H]2[C@@H](c3ccccc3)C[C@]([N@+]([H])(C)CCC[N+]3([H])CCCCC3)(C[C@@H]2c2ccccc2)C1
 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
[H]N1C[C@H]2[C@@H](c3ccccc3)C[C@]([N@+]([H])(C)CCC[N+]3([H])CCCC3)(C[C@@H]2c2ccccc2)C1
 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
[H][N+]1([C@]23C[C@@H](c4ccccc4)[C@H](CN(CCN4CCc5ccccc5C4)C2)[C@H](c2ccccc2)C3)CCCC1
 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
[H][N+]1(CCC(=O)O[C@@H]2C[C@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CCN(C)CC1
 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
[H][N+]1(C)CCN(CCC(=O)N2CC[C@]3([N+]4([H])CCN(C)CC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1
 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
[H][N+]1([C@]23C[C@H](c4ccccc4)[C@H](CN(C(=O)C[N@+]4([H])CCc5ccccc5C4)C2)[C@@H](c2ccccc2)C3)CCCC1
 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
[H][N+]1([C@]23C[C@H](c4ccccc4)[C@H](CN(CCN4CCCCC4)C2)[C@@H](c2ccccc2)C3)CCCC1
 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
[H][N+](C)(C)[C@]12C[C@H](c3ccccc3)[C@H]([C@@H](c3ccccc3)C1)[C@H](OC(=O)CCCN1CCN(C)CC1)C2
 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
[H][N+]1([C@]23C[C@H](c4ccccc4)[C@H]([C@@H](c4ccccc4)C2)[C@H](OC(=O)CCCN2CCN(C)CC2)C3)CCCC1
 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
[H]N(C[N+]1([H])CCCC1)[C@H]1C[C@]2([N+]3([H])CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2
 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
[H][N+]1(CCCN2CC[C@]3([N+]4([H])CCCCC4)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CCCCC1
 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
[H]N(C(=O)CC[N+]1([H])CCN(C)CC1)[C@@H]1C[C@]2([N+]3([H])CCN(C)CC3)C[C@@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2
 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
[H][N+](C)(C)[C@]12CC[N@+]([H])(CCCN3CCN(C)CC3)[C@H]([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2
 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
[H][N+]1([C@]23C[C@H](c4ccccc4)[C@H](CN(CC[N@+]4([H])CCc5ccccc5C4)C2)[C@@H](c2ccccc2)C3)CCCC1
 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
[H]N1C[C@H]2[C@H](c3ccccc3)C[C@]([N@@+]([H])(C)CCCCN3CC[N+]([H])(C)CC3)(C[C@H]2c2ccccc2)C1
 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
[H][N+]1(C)CCN(CCC(=O)N2CC[C@]3(N4CC[N+]([H])(C)CC4)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CC1
 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
[H]N(C(=O)CN1CCCC1)[C@@H]1C[C@]2([N+]3([H])CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2
 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
[H][N+]1(CCC(=O)O[C@@H]2C[C@]3([N+]4([H])CCCCC4)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CCN(C)CC1
 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
[H]N(C(=O)CC[N+]1([H])CCN(C)CC1)[C@H]1C[C@]2([N+]3([H])CCN(C)CC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2
 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
[H]O[C@H]1C[C@]2([N+]3([H])CCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)C2
 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
[H]O[C@H]1C[C@]2([N+]3([H])CCCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)C2
 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
[H]N(C(=O)CN1CC[N+]([H])(C)CC1)[C@@H]1C[C@]2([N+]3([H])CCN(C)CC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2
 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
[H][N+]1(C)CCN(CCC(=O)O[C@H]2C[C@]3([N+]([H])(C)C)C[C@@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1
 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
[H][N+]1(C)CCN(CCC[N@+]2([H])CC[C@]3([N+]4([H])CCCCC4)C[C@@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1
 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
[H][N+]1([H])CC[C@]2([N+]([H])(C)C)C[C@H](c3cccc4ccccc34)[C@H]1[C@@H](c1cccc3ccccc13)C2
 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
[H][N+]1(CCCN2CC[C@@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CCCCC1
 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
[H][N+]1(CCCN2CC[C@@]3([N+]4([H])CCCCC4)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CCN(C)CC1
 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
[H][N+]1(C)CCN(CCC[N@@+]2([H])CC[C@]3(N(C)C)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1
 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
[H][N+]1(C)CCN(CCC[N@+]2([H])CC[C@@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CC1
 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
[H][N+]1(C)CCN([C@]23CC[N@+]([H])(CCC[N+]4([H])CCN(C)CC4)[C@H]([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CC1
 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
[H][N+]1([H])CC[C@]2([N+]([H])(C)C)C[C@@H](c3cccc4ccccc34)[C@H]1[C@H](c1cccc3ccccc13)C2
 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
[H][N+]1([C@]23C[C@H](c4ccccc4)[C@H](CN(C(=O)C[N@+]4([H])CCc5ccccc5C4)C2)[C@@H](c2ccccc2)C3)CCCC1
 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
[H][N+]1(CCCC(=O)O[C@H]2C[C@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CCN(C)CC1
 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
[H][N+]1(C)CCN([C@]23CC[N@+]([H])(CCC[N+]4([H])CCN(C)CC4)[C@H]([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CC1
 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
[H]N(C(=O)C[N+]1([H])CCCC1)[C@H]1C[C@]2([N+]3([H])CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2
 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
[H][N+]1(CCCN2CC[C@]3([N+]4([H])CCCCC4)C[C@@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CCCCC1
 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
[H][N+]1(C)CCN(CC[N@@+]2([H])CC[C@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1
 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
[H][N+]1(C)CCN(CC[N@@+]2([H])CC[C@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1
 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
[H][N+]1(CC)CCN(CC[N@@+]2([H])CC[C@]3([N+]([H])(C)C)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1
 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
[H][N+]1(C)CCN(CC[N@@+]2([H])CC[C@]3([N+]([H])(C)C)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1
 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
[H][N+]1(CCC(=O)O[C@@H]2C[C@@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CCN(C)CC1
 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
[H][N+]1([C@]23C[C@@H](c4ccccc4)[C@H](CN(CC[N@+]4([H])CCc5ccccc5C4)C2)[C@H](c2ccccc2)C3)CCCC1
 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
[H][N+]1([C@]23C[C@@H](c4ccccc4)[C@H](CN(CCN4CCN(C)CC4)C2)[C@H](c2ccccc2)C3)CCCC1
 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
[H][N+]1([C@]23C[C@H](OC(=O)c4ccc5c(c4)OCO5)[C@H]([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CCCCC1
 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
[H]N1C[C@H]2[C@@H](c3ccccc3)C[C@]([N@+]([H])(C)CCC[N+]3([H])CCCC3)(C[C@@H]2c2ccccc2)C1
 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
[H]N1C[C@H]2[C@@H](c3ccccc3)C[C@](N(C)CC[N+]3([H])CCCCC3)(C[C@@H]2c2ccccc2)C1
 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
[H][N+]1(C)CCN(CC[N@+]2([H])CC[C@@]3([N+]([H])(C)C)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CC1
 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
[H][N+]1([C@]23C[C@H](c4ccccc4)[C@H](CN(C(=O)CN4CCc5ccccc5C4)C2)[C@H](c2ccccc2)C3)CCCC1
 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
[H]N(C(=O)CN1CC[N+]([H])(C)CC1)[C@H]1C[C@]2(N3CC[N+]([H])(C)CC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2
 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
[H][N+]1(C)CCN(CCC(=O)N2CC[C@]3(N4CC[N+]([H])(C)CC4)C[C@@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1
 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
[H][N+]1(C)CCN(CC[N@@+]2([H])CC[C@]3([N+]4([H])CCCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1
 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
[H][N+]1(C)CCN(CCC(=O)O[C@H]2C[C@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1
 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
[H][N+]1([H])CC[C@]2([N+]([H])(C)C)C[C@H](c3cccc4ccccc34)[C@H]1[C@@H](c1cccc3ccccc13)C2
 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
[H][N+]([H])(CN1CCCC1)[C@@H]1C[C@]2([N+]([H])(C)C)C[C@@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2
 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
[H][N+]1([C@]23C[C@H](c4ccccc4)[C@H](CN(CC[N@+]4([H])CCc5ccccc5C4)C2)[C@@H](c2ccccc2)C3)CCCC1
 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
[H][N+]1([C@]23C[C@H](c4ccccc4)[C@H]([C@@H](c4ccccc4)C2)[C@H](OC(=O)CCCN2CCN(C)CC2)C3)CCCCC1
 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
[H]N(C(=O)CC[N+]1([H])CCN(C)CC1)[C@@H]1C[C@]2([N+]3([H])CCCC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2
 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
[H][N+]1(CC)CCN(CC[N@+]2([H])CC[C@@]3([N+]([H])(C)C)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CC1
 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
[H][N+](C)(C)[C@]12CC[N@+]([H])(CCCN3CCN(C)CC3)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2
 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
[H][N+]1(CCCN2CC[C@@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CCN(C)CC1
 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
[H][N+]1([H])C[C@@H]2[C@@H](c3ccccc3)C[C@@](N(C)CCCCN3CCN(C)CC3)(C[C@H]2c2ccccc2)C1
 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
[H][N+]1([H])CC[C@]2([N+]([H])(C)C)C[C@H](c3cccc4ccccc34)[C@H]1[C@@H](c1cccc3ccccc13)C2
 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
[H][N+]1([C@]23CCN(CCN4CCN(C)CC4)[C@H]([C@@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CCCCC1
 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
[H][N+]1(CCN(C)[C@]23C[C@H](c4ccccc4)[C@H](C[N+]([H])([H])C2)[C@@H](c2ccccc2)C3)CCCC1
 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
[H][N+]1([C@@]23C[C@H](c4ccccc4)[C@@H](CN(CCN4CCN(C)CC4)C2)[C@H](c2ccccc2)C3)CCCC1
 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
[H][N+]1(C)CCN([C@]23CC[N@+]([H])(CCC[N+]4([H])CCN(C)CC4)[C@H]([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CC1
 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
[H][N+]1(C)CCN(CCC[N@+]2([H])CC[C@]3([N+]4([H])CCCCC4)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CC1
 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
[H][N+]1(CC[N+]([H])([H])[C@H]2C[C@]3([N+]4([H])CCCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CCCC1
 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
[H]N(C[N+]1([H])CCCC1)[C@H]1C[C@]2([N+]3([H])CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2
 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
[H][N+]1(C)CCN(CCC[N@+]2([H])CC[C@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CC1
 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
[H][N+](C)(C)[C@@]12C[C@H](c3ccccc3)[C@@H]([C@H](OC(=O)c3ccncc3)C1)[C@H](c1ccccc1)C2
 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
[H][N+](C)(C)[C@@]12C[C@H](c3ccccc3)[C@@H]([C@H](OC(=O)c3ccc4c(c3)OCO4)C1)[C@H](c1ccccc1)C2
 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
[H][N+]1([C@]23C[C@H](OC(=O)CCN4CCN(C)CC4)[C@H]([C@@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CCCCC1
 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
[H][N+]1(C)CCN(CCC[N@@+]2([H])CC[C@]3(N4CCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1
 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
[H][N+](C)(C)[C@]12C[C@@H](OC(=O)c3ccncc3)[C@H]([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2
 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
[H][N+]1(CCN2C[C@@H]3[C@@H](c4ccccc4)C[C@@]([N+]4([H])CCCC4)(C[C@H]3c3ccccc3)C2)CCCC1
 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
[H][N+]1(CCN2C[C@@H]3[C@@H](c4ccccc4)C[C@@]([N+]4([H])CCCC4)(C[C@H]3c3ccccc3)C2)CCCCC1
 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
[H][N+]1([C@@]23C[C@H](c4ccccc4)[C@@H](CN(C(=O)CN4CCCC4)C2)[C@H](c2ccccc2)C3)CCCC1
 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
[H][N+]1([C@]23C[C@H](c4ccccc4)[C@H](CN(C(=O)C[N@@+]4([H])CCc5ccccc5C4)C2)[C@H](c2ccccc2)C3)CCCC1
 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
[H][N+]1([H])CC[C@]2([N+]([H])(C)C)C[C@@H](c3ccc(Cl)c(Cl)c3)[C@H]1[C@H](c1ccc(Cl)c(Cl)c1)C2
 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
[H]O/N=C1\C[C@]2([N+]3([H])CCCC3)C[C@@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)C2
 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
[H][N+]1([C@@]23C[C@H](c4ccccc4)[C@@H](CN(C(=O)CN4CCc5ccccc5C4)C2)[C@H](c2ccccc2)C3)CCCC1
 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
[H]N(C(=O)CCN1CC[N+]([H])(C)CC1)[C@H]1C[C@]2([N+]3([H])CCCC3)C[C@@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2
 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
[H]N(C(=O)CCN1CC[N+]([H])(C)CC1)[C@H]1C[C@]2([N+]([H])(C)C)C[C@@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2
 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
[H]N(C(=O)CCN1CC[N+]([H])(C)CC1)[C@H]1C[C@@]2([N+]3([H])CCN(C)CC3)C[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)C2
 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
[H][N+]1(C)CCN(CC[N@@+]2([H])CC[C@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1
 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
[H][N+]1(CC)CCN(CCN2CC[C@]3([N+]4([H])CCCCC4)C[C@@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1
 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
[H][N+](C)(C)[C@]12C[C@H](OC(=O)c3ccc4c(c3)OCO4)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2
 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
[H][N+]1(CCCC(=O)O[C@@H]2C[C@@]3([N+]([H])(C)C)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CCN(C)CC1
 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
[H][N+]1([H])CC[C@]2([N+]([H])(C)C)C[C@H](c3cccc4ccccc34)[C@H]1[C@@H](c1cccc3ccccc13)C2
 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
[H][N+]1(CC(=O)N2C[C@H]3[C@@H](c4ccccc4)C[C@](N4CCCC4)(C[C@H]3c3ccccc3)C2)CCCCC1
 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
[H][N+](C)(C)CCN1C[C@H]2[C@@H](c3ccccc3)C[C@]([N+]3([H])CCCC3)(C[C@@H]2c2ccccc2)C1
 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
[H][N+]1(CCC(=O)N2CC[C@@]3([N+]([H])(C)C)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CCCCC1
 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
[H][N+](C)(C)[C@@]12C[C@H](c3ccccc3)[C@@H]([C@H](OC(=O)/C=C/c3ccccc3)C1)[C@H](c1ccccc1)C2
 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
[H][N+]1([C@]23C[C@H](OC(=O)CCN4CCN(C)CC4)[C@H]([C@@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CCCC1
 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
[H][N+]1(CCCC(=O)O[C@@H]2C[C@@]3([N+]([H])(C)C)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CCN(C)CC1
 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
[H][N+]1(CCC(=O)N2CC[C@@]3([N+]([H])(C)C)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CCCCC1
 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
[H]N(C(=O)CCN1CC[N+]([H])(C)CC1)[C@@H]1C[C@@]2([N+]([H])(C)C)C[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)C2
 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
[H][N+]1(C)CCN(CCC[N@+]2([H])CC[C@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CC1
 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
[H][N+](C)(C)[C@]12CCN(CCN3CCN(C)CC3)[C@H]([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2
 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
[H][N+]1([C@]23CC[N@+]([H])(CCCN4CCN(C)CC4)[C@H]([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CCCCC1
 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
[H][N+]1(C)CCN(CC[N@@+]2([H])CC[C@]3([N+]4([H])CCCCC4)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CC1
 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
[H][N+]1([C@]23C[C@@H](c4ccccc4)[C@H](CN(C(=O)C[N@+]4([H])CCc5ccccc5C4)C2)[C@H](c2ccccc2)C3)CCCC1
 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
[H][N+]1([C@]23CC[N@+]([H])(CCCN4CCN(C)CC4)[C@H]([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CCN(C)CC1
 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
[H]N1CC[C@]2([N+]([H])(C)C)C[C@H](c3cccc4ccccc34)[C@H]1[C@@H](c1cccc3ccccc13)C2
 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
[H]N(C(=O)CN1CC[N+]([H])(C)CC1)[C@@H]1C[C@]2([N+]3([H])CCN(C)CC3)C[C@@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2
 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
[H][N+]1([H])CC[C@]2([N+]3([H])CCOCC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2
 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
[H][N+]1([H])CC[C@]2([N+]3([H])CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2
 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
[H][N+]1([H])CC[C@]2([N+]3([H])CCN(C)CC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2
 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
[H][N+]1(C)CCN(CC[N@@+]2([H])CC[C@]3([N+]4([H])CCCCC4)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CC1
 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
[H][N+]1([C@]23C[C@H](OC(=O)c4ccc5c(c4)OCO5)[C@H]([C@@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CCCCC1
 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
[H][N+]1(C)CCN(CCCCN(C)[C@]23C[C@H](c4ccccc4)[C@H](C[N+]([H])([H])C2)[C@@H](c2ccccc2)C3)CC1
 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
[H][N+]1(C)CCN(CCCC[N@@+]([H])(C)[C@]23C[C@@H](c4ccccc4)[C@H](C[N+]([H])([H])C2)[C@H](c2ccccc2)C3)CC1
 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
[H]OCC[N@@+]1([H])CC[C@@]2([N+]3([H])CCCCC3)C[C@H](c3ccc(Cl)cc3)[C@@H]1[C@H](c1ccc(Cl)cc1)C2
 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
[H][N+]1(CC(=O)N2C[C@H]3[C@@H](c4ccccc4)C[C@](N4CCCC4)(C[C@@H]3c3ccccc3)C2)CCCCC1
 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
[H][N+]1([C@@]23C[C@H](OC(=O)CCCN4CCN(C)CC4)[C@@H]([C@@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CCCCC1
 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
[H][N+]1(CCC[N@+]2([H])CC[C@@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CCCCC1
 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
[H]N([H])C(=O)C[N@+]1([H])CC[C@]2([N+]3([H])CCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@@H](c1ccc(Cl)cc1)C2
 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
[H][N+]1([C@]23C[C@@H](c4ccccc4)[C@H](CN(CCN4CCN(C)CC4)C2)[C@H](c2ccccc2)C3)CCCC1
 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
[H]N1CC[C@]2([N+]3([H])CCCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@@H](c1ccc(Cl)cc1)C2
 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
[H]O[C@H]1C[C@]2([N+]3([H])CCCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@@H](c1ccc(Cl)cc1)C2
 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
[H]N(CC[N+]1([H])CCCC1)[C@@H]1C[C@]2([N+]3([H])CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2
 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
[H]N1CC[C@]2([N+]([H])(C)C)C[C@H](c3ccc(C)cc3)[C@H]1[C@@H](c1ccc(C)cc1)C2
 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
[H][N+]1([H])CC[C@]2([N+]3([H])CCCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@@H](c1ccc(Cl)cc1)C2
 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
[H]N([H])C(=O)C[N@@+]1([H])CC[C@@]2([N+]3([H])CCCC3)C[C@H](c3ccc(Cl)cc3)[C@@H]1[C@H](c1ccc(Cl)cc1)C2
 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
[H][N+]1(CCCN2CC[C@@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CCCCC1
 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
[H][N+](C)(C)[C@]12CCN(CCCN3CCN(C)CC3)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2
 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
[H][N+]1(CCC[N@@+]2([H])CC[C@]3([N+]4([H])CCCC4)C[C@@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CCN(C)CC1
 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
[H][N+]1([C@]23C[C@@H](c4ccccc4)[C@H](CN(CCN4CCN(C)CC4)C2)[C@H](c2ccccc2)C3)CCCC1
 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
[H][N+]1(C)CCN(CCCN2CC[C@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CC1
 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
[H][N+]1(CCC(=O)N2CC[C@]3([N+]4([H])CCCCC4)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CCCCC1
 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
[H][N+]1(C)CCN(CCC[N@+]2([H])CC[C@]3([N+]4([H])CCCCC4)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CC1
 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
[H][N+]1(C)CCN(CCC[N@@+]2([H])CC[C@]3([N+]([H])(C)C)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CC1
 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
[H]OCC[N@@+]1([H])CC[C@]2([N+]3([H])CCCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@@H](c1ccc(Cl)cc1)C2
 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
[H][N+](C)(C)[C@@]12C[C@H](c3ccccc3)[C@@H]([C@H](OC(=O)CCN3CCN(C)CC3)C1)[C@H](c1ccccc1)C2
 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
[H][N+]1(CCC(=O)O[C@@H]2C[C@@]3([N+]([H])(C)C)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CCN(C)CC1
 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
[H][N+]1([H])C[C@H]2[C@@H](c3ccccc3)C[C@](N(C)CCCN3CCN(C)CC3)(C[C@@H]2c2ccccc2)C1
 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
[H][N+]1(C)CCN(CCC[N@@+]2([H])CC[C@]3([N+]([H])(C)C)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CC1
 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
[H][N+]1(C)CCN(CC[N@+]2([H])CC[C@]3([N+]4([H])CCCC4)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CC1
 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
[H][N+]1(CC)CCN(CC[N@@+]2([H])CC[C@]3([N+]([H])(C)C)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CC1
 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
[H][N+]1([C@]23C[C@@H](c4ccccc4)[C@H](CN(C(=O)C[N@+]4([H])CCc5ccccc5C4)C2)[C@H](c2ccccc2)C3)CCCC1
 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
[H]O/N=C1\C[C@]2([N+]3([H])CCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@@H](c1ccc(Cl)cc1)C2
 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
[H]N([H])C(=O)C[N@+]1([H])CC[C@]2([N+]3([H])CCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@@H](c1ccc(Cl)cc1)C2
 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
[H][N+]1(CC(=O)N2C[C@H]3[C@@H](c4ccccc4)C[C@](N4CCCC4)(C[C@@H]3c3ccccc3)C2)CCCC1
 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
[H]N(C(=O)CCN1CC[N+]([H])(C)CC1)[C@@H]1C[C@]2([N+]([H])(C)C)C[C@@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2
 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
[H][N+]1(CCC[N@+]2([H])CC[C@]3([N+]4([H])CCCCC4)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CCCCC1
 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
[H][N+]1([C@]23CC[N@+]([H])(CCCN4CCN(C)CC4)[C@H]([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CCN(C)CC1
 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
[H][N+]1([C@]23C[C@@H](c4ccccc4)[C@H](CN(CCN4CCc5ccccc5C4)C2)[C@H](c2ccccc2)C3)CCCC1
 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
[H]N(C[N+]1([H])CCCC1)[C@H]1C[C@]2([N+]3([H])CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2
 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
[H]N([H])C(=O)CN1CC[C@]2([N+]3([H])CCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)C2
 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
[H][N+]([H])(CN1CCCC1)[C@@H]1C[C@]2([N+]3([H])CCCC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2
 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
[H]N1C[C@H]2[C@@H](c3ccccc3)C[C@]([N@@+]([H])(C)CCN3CC[N+]([H])(C)CC3)(C[C@H]2c2ccccc2)C1
 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
[H][N+]1(C)CCN(CCC(=O)N2CC[C@@]3(N4CC[N+]([H])(C)CC4)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CC1
 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
[H]OCC[N@@+]1([H])CC[C@]2([N+]3([H])CCCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@@H](c1ccc(Cl)cc1)C2
 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
[H]N(C(=O)CC[N+]1([H])CCN(C)CC1)[C@H]1C[C@]2([N+]3([H])CCN(C)CC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2
 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
[H]N1C[C@H]2[C@@H](c3ccccc3)C[C@](N(C)CC[N+]3([H])CCCCC3)(C[C@@H]2c2ccccc2)C1
 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
[H][N+]1(CCC[N@@+]2([H])CC[C@]3([N+]([H])(C)C)C[C@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)C3)CCCCC1
 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
[H]N1C[C@H]2[C@@H](c3ccccc3)C[C@](N(C)CC[N+]3([H])CCCC3)(C[C@@H]2c2ccccc2)C1
 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
[H]N(C(=O)CCN1CCN(C)CC1)[C@@H]1C[C@@]2([N+]3([H])CCCC3)C[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)C2
 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
[H]O/N=C1/C[C@]2([N+]3([H])CCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@@H](c1ccc(Cl)cc1)C2
 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
[H]N(C(=O)CCN1CC[N+]([H])(C)CC1)[C@@H]1C[C@]2([N+]3([H])CCCC3)C[C@@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2
 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
[H]O/N=C1/C[C@]2([N+]3([H])CCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@@H](c1ccc(Cl)cc1)C2
 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
[H]N1C(=O)C[C@]2([N+]([H])(C)C)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@@H](c1ccc(Cl)cc1)C2
 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
[H]N(C(=O)CN1CC[N+]([H])(C)CC1)[C@@H]1C[C@]2(N3CC[N+]([H])(C)CC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2
 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
[H]N(C(=O)CCN1CC[N+]([H])(C)CC1)[C@@H]1C[C@]2(N3CC[N+]([H])(C)CC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2
 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
[H]N(C(=O)CN1CC[N+]([H])(C)CC1)[C@H]1C[C@]2(N3CC[N+]([H])(C)CC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2
 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
[H][N+]1([H])CC[C@]2([N+]([H])(C)C)C[C@H](c3ccc(Cl)c(Cl)c3)[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)C2
 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
[H]N(CC[N+]1([H])CCCC1)[C@H]1C[C@@]2([N+]3([H])CCCCC3)C[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)C2
 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
[H][N+]1([H])CC[C@]2([N+]3([H])CCOCC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2
 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
[H][N+]1([H])CC[C@]2([N+]3([H])CCN(C)CC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2
 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
[H]N(C(=O)CCN1CCN(C)CC1)[C@@H]1C[C@@]2([N+]3([H])CCN(C)CC3)C[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)C2
 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
[H]N(C(=O)CCN1CCN(C)CC1)[C@H]1C[C@]2([N+]3([H])CCCC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2
 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
[H]N(C(=O)CN1CCCC1)[C@H]1C[C@]2([N+]3([H])CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2
 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
[H]N1CC[C@]2([N+]3([H])CCCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@@H](c1ccc(Cl)cc1)C2
 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
[H]N(C(=O)CN1CCN(C)CC1)[C@@H]1C[C@@]2([N+]3([H])CCN(C)CC3)C[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)C2
 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
[H]O/N=C1\C[C@]2([N+]3([H])CCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@@H](c1ccc(Cl)cc1)C2
 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
[H][N+]1([C@]23C[C@H](OC(=O)CCN4CCN(C)CC4)[C@H]([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CCCCC1
 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
[H]N1CC[C@]2([N+]([H])(C)C)C[C@H](c3ccc(Cl)c(Cl)c3)[C@H]1[C@H](c1ccc(Cl)c(Cl)c1)C2
 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
[H][N+]1(CCN2C[C@H]3[C@@H](c4ccccc4)C[C@]([N+]4([H])CCCC4)(C[C@@H]3c3ccccc3)C2)CCCCC1
 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
[H][N+]1([H])CC[C@]2([N+]([H])(C)C)C[C@H](c3ccc(Cl)c(Cl)c3)[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)C2
 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
[H][N+]1([H])CC[C@]2([N+]3([H])CCCC3)C[C@@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)C2
 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
[H]N(C[N+]1([H])CCCC1)[C@@H]1C[C@]2([N+]3([H])CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2
 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
[H][N+]1([H])CC[C@]2([N+]3([H])CCCC3)C[C@@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)C2
 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
[H][N+]1(CC(=O)N2C[C@@H]3[C@@H](c4ccccc4)C[C@@]([N+]4([H])CCCC4)(C[C@H]3c3ccccc3)C2)CCN(C)CC1
 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
[H][N+]([H])(CN1CCCC1)[C@H]1C[C@]2([N+]([H])(C)C)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2
 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
[H]N(C[N+]1([H])CCCC1)[C@H]1C[C@]2([N+]3([H])CCCC3)C[C@@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2
 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
[H]N(C(=O)C[N+]1([H])CCCC1)[C@H]1C[C@]2([N+]3([H])CCCCC3)C[C@@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2
 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
[H]N1C[C@H]2[C@@H](c3ccccc3)C[C@]([N@@+]([H])(C)CCN3CC[N+]([H])(C)CC3)(C[C@H]2c2ccccc2)C1
 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
[H]O[C@@H]1C[C@]2([N+]3([H])CCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)C2
 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
[H][N+]1(CCN2C[C@H]3[C@@H](c4ccccc4)C[C@]([N+]4([H])CCCC4)(C[C@@H]3c3ccccc3)C2)CCN(C)CC1
 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
[H][N+]1(C)CCN(CCC[N@+]([H])(C)[C@]23C[C@H](c4ccccc4)[C@H](C[N+]([H])([H])C2)[C@@H](c2ccccc2)C3)CC1
 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
[H][N+]1([C@@]23CC[N@+]([H])(CCCN4CCN(C)CC4)[C@@H]([C@@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CCN(C)CC1
 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
[H][N+]1(CCC(=O)O[C@@H]2C[C@]3([N+]([H])(C)C)C[C@@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CCN(C)CC1
 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
[H][N+]1([H])C[C@H]2[C@@H](c3ccccc3)C[C@](N(C)CCCC[N+]3([H])CCCC3)(C[C@H]2c2ccccc2)C1
 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
[H]N1C[C@H]2[C@@H](c3ccccc3)C[C@](N(C)CCC[N+]3([H])CCCC3)(C[C@H]2c2ccccc2)C1
 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
[H][N+]1(CCCN(C)[C@]23C[C@@H](c4ccccc4)[C@H](C[N+]([H])([H])C2)[C@H](c2ccccc2)C3)CCCCC1
 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