0 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.37 CC(C)C(C)(O)C(C)C Z449374554 [0,0,0,0,0,0|0,0,0]=0 3 B8R0.37 CC(N)C(C)(C)C(F)F Z4332521596 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.37 CC(O)C(C)(O)C(C)O Z1896353427 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.13 CC(C)C(C)(C)CN Z1770193479 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.13 CC(C)C(C)(N)C#N Z56943431 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.13 CC(C)C(C)(N)CO Z2160887261 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.13 CC(C)C(C)(O)CN Z419085036 [1,0,0,0,0,0|1,0,0]=2 10 B7R0.13 CC(C)C(F)(F)CN Z2310716426 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.13 CC(O)C(C)(O)CO Z1896353165 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.13 CCC(C)(C)C(C)C Z1198148974 [1,0,0,0,0,0|1,0,0]=2 13 B7R0.13 CCC(C)(C)C(C)N Z1509089498 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.13 COC(C)(C)C(C)N Z2831701922 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.16 CC(C)C(O)C(C)N Z975823338 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.16 CC(O)C(O)C(C)O Z1896181589 [1,0,0,0,0,0|2,0,0]=3 19 B9R0.76 CC(C)C(C)(CN)C(C)C Z4720894475 [0,1,0,0,0,0|1,0,0]=2 20 B9R1.106 CN1CCC(C1(C)C)N Z2867580383 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.106 CN1CCC(C1(C)C)O Z3288556368 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.153 CC1(CC(C1(C)C)O)C Z4499471290 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.165 CC(O)(C(=O)O)C1CC1 Z788000400 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.238 CC1(C(C1(C)N)(C)C)C Z2939594048 [0,0,0,1,0,0|1,0,0]=2 25 B9R0.11 CC(N)C(C)(C)CN(C)C Z1258578720 [0,0,0,0,0,1|3,0,0]=4 26 B6R0.3 CC(C)C(C)C#N Z415654752 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.3 CC(C)C(C)CN Z415654990 [2,0,0,0,0,0|1,0,0]=3 28 B6R0.3 CC(C)C(N)CN Z1266933925 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.3 CC(C)C(O)C#N Z802900598 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.3 CC(C)C(O)CN Z1255523288 [2,0,0,0,0,0|1,0,0]=3 31 B6R0.3 CC(C)[C@H](N)CO Z1741982893 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.3 CC(CN)N(C)C Z367452450 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.3 CC(N)C(C)CO Z1203581847 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.3 CCC(C)C(C)N Z335455612 [2,0,0,0,0,0|1,0,0]=3 35 B6R0.3 CCC(N)C(C)C Z823287438 [2,0,0,0,0,0|1,0,0]=3 36 B6R0.3 CCC(O)C(C)C Z445987082 [2,0,0,0,0,0|0,0,0]=2 37 B6R0.3 CCC(O)C(C)O Z1251352132 [2,0,0,0,0,0|1,0,0]=3 38 B6R0.3 CNC(C)C(C)C Z139701846 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.3 COC(C)[C@@H](C)N Z2160914955 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.3 COC(C)[C@H](C)N Z1795817829 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.3 CSC(C)C(C)O Z1273036711 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.7 CC(=O)C(C)(C)O Z939661728 [2,0,0,0,0,0|1,0,1]=4 43 B6R0.7 CC(C)(O)C(F)F Z1413814779 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.7 CC(C)C(C)(C)N Z1270446314 [2,0,0,0,0,0|1,0,0]=3 45 B6R0.7 CC(N)C(C)(C)F Z3487099771 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.7 CC(O)C(C)(C)N Z3688848535 [2,0,0,0,0,0|2,0,0]=4 47 B6R0.8 C#CC(C)(O)CC Z1251192957 [2,0,0,0,0,0|0,0,2]=4 48 B6R0.8 CCC(C)(C)CO Z995039230 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.8 CCC(C)(C)NC Z335250498 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.8 CCC(C)(N)CC Z1267881628 [2,0,0,0,0,0|1,0,0]=3 51 B6R0.8 CCC(C)(N)CN Z425861002 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.8 CCC(C)(N)CO Z734150850 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.8 CCC(C)(O)CC Z449374480 [2,0,0,0,0,0|0,0,0]=2 54 B6R0.8 CCC(C)(O)CN Z419085064 [2,0,0,0,0,0|1,0,0]=3 55 B8R0.12 CC(C)C(F)(F)CCN Z2732522124 [1,1,0,0,0,0|2,0,0]=4 56 B8R0.17 CC(C)(C)C(C)(C)CN Z2217033075 [1,1,0,0,0,0|2,0,0]=4 57 B8R0.17 CC(C)(C)C(C)(O)CN Z3067125760 [1,1,0,0,0,0|1,0,0]=3 58 B8R0.17 CC(C)(N)C(C)(C)CO Z1342879033 [1,1,0,0,0,0|2,0,0]=4 59 B8R0.17 CC(C)(O)C(C)(C)CO Z1255360655 [1,1,0,0,0,0|2,0,0]=4 60 B8R0.17 CCC(F)(F)C(C)(C)N Z3033546635 [1,1,0,0,0,0|2,0,0]=4 61 B8R0.36 CCC(C)(CN)C(C)O Z1259285407 [1,1,0,0,0,0|2,0,0]=4 62 B8R0.36 CCC(N)(CC)C(C)C Z449374562 [1,1,0,0,0,0|1,0,0]=3 63 B8R0.36 CN(C)C(C)(CO)CO Z2235386894 [1,1,0,0,0,0|2,0,0]=4 64 B8R0.2 CC(CO)C(C)N(C)C Z1705861637 [1,1,0,0,0,0|1,0,0]=3 65 B8R0.2 CCC(N)C(O)C(C)C Z2301500146 [1,1,0,0,0,0|1,0,0]=3 66 B8R0.18 CC(C)C(CN)C(C)C Z1815155509 [1,1,0,0,0,0|0,0,0]=2 67 B8R0.18 CC(C)N(N=O)C(C)C Z1198147490 [1,1,0,0,0,0|1,0,1]=4 68 B8R0.27 CC(C)C(=O)C(C)(C)C Z513735834 [1,1,0,0,0,0|0,0,2]=4 69 B10R0.47 CCC(C)NC(C)(C)C(C)C Z1262619310 [0,1,0,0,0,1|1,0,0]=3 70 B8R1.19 CC1CCCC1(C)N Z1509036056 [1,0,0,1,0,0|1,0,0]=3 71 B8R1.19 CC1CCNC1(C)C Z4775586804 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.19 CC1NCCC1(C)C Z3016741300 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.19 C[C@]1(CCC[C@H]1O)O Z3037315217 [1,0,0,1,0,0|1,0,0]=3 74 B8R1.28 CC(C)(CN)C1CC1 Z1203642380 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.28 CC(N)(CN)C1CC1 Z1266854972 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.28 CC(O)(CN)C1CC1 Z419084898 [1,0,0,1,0,0|1,0,0]=3 77 B8R1.28 CCC(C)(N)C1CC1 Z2525153713 [1,0,0,1,0,0|1,0,0]=3 78 B8R1.30 CC(C)C1(CC1N)C Z2266153243 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.63 CC(C)C1(CC1)CN Z1374884909 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.65 CC1(CC1(C)CN)C Z2785821835 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.78 CC(C)C1(CCN1)C Z4320914554 [1,0,0,1,0,0|1,0,0]=3 82 B8R1.29 CC1(C[C@H]([C@H]1O)N)C Z3486644250 [1,0,0,1,0,0|1,0,0]=3 83 B8R1.31 CN(C)[C@@H]1CC[C@H]1N Z2568757699 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.50 CC1CCC(C1N)C Z1357774290 [1,0,0,1,0,0|1,0,0]=3 85 B8R1.50 CC1CNC(C1C)C Z1203749866 [1,0,0,1,0,0|1,0,0]=3 86 B8R1.54 CC(C)C(N)C1CC1 Z2574914382 [1,0,0,1,0,0|1,0,0]=3 87 B10R1.560 CC1(CC(C(O1)(C)C)O)C Z1255488775 [0,0,0,1,0,1|2,0,0]=4 88 B10R1.114 CC1CNCC(C1(F)F)C Z2235409548 [0,1,0,1,0,0|2,0,0]=4 89 B10R1.474 COC1(CC(C1(C)C)N)C Z1276749547 [0,1,0,1,0,0|2,0,0]=4 90 B10R1.474 COC1(CC(C1(C)C)O)C Z1477409275 [0,1,0,1,0,0|2,0,0]=4 91 B10R1.279 CC(O)(C1CC1)C(F)(F)F Z838950492 [0,1,0,1,0,0|2,0,0]=4 92 B10R1.366 CC(C)C1(CO1)C(F)(F)F Z3211821289 [0,1,0,1,0,0|2,0,0]=4 93 B8R0.34 CC(C)CC(C)(C)CN Z1359429576 [1,0,0,0,0,1|2,0,0]=4 94 B8R0.34 CC(C)CC(C)(N)CO Z734150960 [1,0,0,0,0,1|2,0,0]=4 95 B8R0.34 CC(C)NC(C)(C)CO Z267081438 [1,0,0,0,0,1|2,0,0]=4 96 B8R0.34 CC(C)OC(C)(C)CN Z3034773037 [1,0,0,0,0,1|2,0,0]=4 97 B8R0.34 CN(C)CC(C)(O)CN Z1250164252 [1,0,0,0,0,1|2,0,0]=4 98 B8R0.23 CC(C)C(N)CN(C)C Z2313092275 [1,0,0,0,0,1|2,0,0]=4