0 B8R1.51 CC1=NC(C)(C)CO1 D92443 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.51 C[C@@H]1CNC(C)(C)C1 83892 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.2 CC1=N[C@@H](C)CO1 81835 [1,0,0,0,0,0|1,0,1]=3 3 B7R1.2 CC1CCC(C)O1 D89954 [1,0,0,0,0,0|1,0,0]=2 4 B7R1.2 CC1CCC(O)C1 D76706 [1,0,0,0,0,0|3,0,0]=4 5 B7R1.14 CC1(C)OCCO1 D89708 [1,0,0,0,0,0|0,0,0]=1 6 B7R0.2 CC[C@H](C)CC(C)C D89783 [0,0,1,0,0,0|2,0,0]=3 7 B7R0.2 C\C(CC(C)C)=N\O D91365 [0,0,1,0,0,0|2,0,1]=4 8 B7R0.6 CC(Br)CCC(C)Br D90037 [0,0,1,0,0,0|3,0,0]=4 9 B7R0.6 CC(C)=CCC(C)C D89989 [0,0,1,0,0,0|2,0,1]=4 10 B7R0.6 CC(C)CCC(C)C D89815 [0,0,1,0,0,0|2,0,0]=3 11 B7R0.6 CC(C)CC[C@H](C)Br 31370 [0,0,1,0,0,0|2,0,0]=3 12 B7R0.6 CC(C)OCC(=O)O S10646 [0,0,1,0,0,0|1,0,1]=3 13 B7R0.8 C#CCOC(C)(C)C AT23365 [0,0,1,0,0,0|1,0,2]=4 14 B7R0.8 CC(C)(C)OCCN AT12487 [0,0,1,0,0,0|2,0,0]=3 15 B7R0.8 CC(C)(C)SCCN AT13945 [0,0,1,0,0,0|2,1,0]=4 16 B7R0.8 CC(C)(C)SCCN D89178 [0,0,1,0,0,0|2,1,0]=4 17 B7R0.8 CCCCC(C)(C)C D89814 [0,0,1,0,0,0|2,0,0]=3 18 B7R0.8 CCNCC(C)(C)O F52547 [0,0,1,0,0,0|2,0,0]=3 19 B7R0.9 CC(C)=CC(C)(C)C D92393 [0,0,1,0,0,0|2,0,1]=4 20 B7R0.9 CC(C)O[Si](C)(C)C D95456 [0,0,1,0,0,0|1,1,0]=3 21 B9R1.10 CC1CCC(C)(C)CC1 T72861 [0,0,0,0,0,1|2,0,0]=3 22 B6R0.1 CCC[C@@H](C)CC D91320 [1,0,1,0,0,0|2,0,0]=4 23 B6R0.1 CCC[C@H](N)CO A10465 [1,0,1,0,0,0|2,0,0]=4 24 B6R0.1 CCC[C@H](N)CO A10469 [1,0,1,0,0,0|2,0,0]=4 25 B6R0.1 CCO[C@@H](Cl)CCl D89636 [1,0,1,0,0,0|2,0,0]=4 26 B6R0.1 COC[C@H](C)OC D90270 [1,0,1,0,0,0|2,0,0]=4 27 B6R0.1 C[C@H](CO)CCN T71428 [1,0,1,0,0,0|2,0,0]=4 28 B6R0.2 CC(C)=CC(C)C T71140 [1,0,1,0,0,0|1,0,1]=4 29 B6R0.2 CC(C)CC(C)C D89716 [1,0,1,0,0,0|1,0,0]=3 30 B6R0.2 CC(C)C[C@H](C)N N12044 [1,0,1,0,0,0|2,0,0]=4 31 B6R0.2 CC(C)C[C@H](C)O D97159 [1,0,1,0,0,0|1,0,0]=3 32 B6R0.2 CC(C)C[C@H](C)O D97160 [1,0,1,0,0,0|1,0,0]=3 33 B6R0.2 CC(C)SC(C)C D91094 [1,0,1,0,0,0|0,1,0]=3 34 B6R0.4 CC(C)NCCN D91135 [1,0,1,0,0,0|2,0,0]=4 35 B6R0.4 CC(C)OCCN AT12492 [1,0,1,0,0,0|1,0,0]=3 36 B6R0.4 CC(C)SCCN AT25564 [1,0,1,0,0,0|1,1,0]=4 37 B6R0.4 CC(C)SCCO D91113 [1,0,1,0,0,0|0,1,0]=3 38 B6R0.4 CCCC=C(C)C T72209 [1,0,1,0,0,0|1,0,1]=4 39 B6R0.4 CCCCC(C)C D91294 [1,0,1,0,0,0|1,0,0]=3 40 B6R0.4 CCCC[C@H](C)Br D88771 [1,0,1,0,0,0|2,0,0]=4 41 B6R0.4 CCCC[C@H](C)Cl D89320 [1,0,1,0,0,0|2,0,0]=4 42 B6R0.4 CCCC[C@H](C)N A12776 [1,0,1,0,0,0|2,0,0]=4 43 B6R0.4 CCCC[C@H](C)O D97165 [1,0,1,0,0,0|1,0,0]=3 44 B6R0.4 CCCC[C@H](C)O D97166 [1,0,1,0,0,0|1,0,0]=3 45 B6R0.4 CCCSC(C)C D92018 [1,0,1,0,0,0|0,1,0]=3 46 B6R0.4 CCNC[C@H](C)O D90604 [1,0,1,0,0,0|1,0,0]=3 47 B6R0.4 CNCCC(C)C D72652 [1,0,1,0,0,0|2,0,0]=4 48 B6R0.5 C=CCC(C)(C)O F13463 [1,0,1,0,0,0|0,0,2]=4 49 B6R0.5 CC(C)(C)CCN F17089 [1,0,1,0,0,0|2,0,0]=4 50 B6R0.5 CC(C)(C)CCN W10831 [1,0,1,0,0,0|2,0,0]=4 51 B6R0.5 CC(C)(C)ON=O D78334 [1,0,1,0,0,0|2,0,0]=4 52 B6R0.5 CC(C)(N)CCO AC5985 [1,0,1,0,0,0|2,0,0]=4 53 B6R0.5 CCCC(C)(C)O D91458 [1,0,1,0,0,0|0,0,0]=2 54 B6R0.5 CCC[Si](C)(C)Cl D89889 [1,0,1,0,0,0|1,1,0]=4 55 B6R0.5 CCNC(C)(C)C D88712 [1,0,1,0,0,0|1,0,0]=3 56 B6R0.5 CCOC(C)(C)C N11919 [1,0,1,0,0,0|0,0,0]=2 57 B6R0.5 CCO[Si](C)(C)C W13860 [1,0,1,0,0,0|0,1,0]=3 58 B6R0.8 CCC(C)(O)CC F16452 [1,0,1,0,0,0|2,0,0]=4 59 B6R0.8 COC(C)(C)ON T71540 [1,0,1,0,0,0|1,0,0]=3 60 B6R1.2 CC1OCCO1 D91291 [2,0,0,0,0,0|0,0,0]=2 61 B6R1.2 C[C@H]1CCCN1 W10111 [2,0,0,0,0,0|2,0,0]=4 62 B6R1.2 C[C@H]1COCO1 D91404 [2,0,0,0,0,0|0,0,0]=2 63 B8R0.19 CCC(C)OC(C)CC D89852 [0,1,1,0,0,0|1,0,0]=3 64 B8R0.19 CCC(C)SC(C)CC F11357 [0,1,1,0,0,0|1,1,0]=4 65 B8R0.34 CC[C@](C)(O)CC(C)C D89963 [0,1,1,0,0,0|2,0,0]=4 66 B8R0.34 CN(C)CC(C)(C)CO D89916 [0,1,1,0,0,0|2,0,0]=4 67 B8R0.9 CC(C)NC[C@H](O)CO AT17752 [0,1,1,0,0,0|1,0,0]=3 68 B8R0.9 CC(C)NC[C@H](O)CO AT17755 [0,1,1,0,0,0|1,0,0]=3 69 B8R0.9 CCC(C)CCC(C)O D91466 [0,1,1,0,0,0|1,0,0]=3 70 B8R0.9 CC[C@H](C)CCC(C)C T70586 [0,1,1,0,0,0|2,0,0]=4 71 B8R0.9 C\C(CCC(C)C)=N/O D91366 [0,1,1,0,0,0|1,0,1]=4 72 B8R0.29 CC(C)CCC(C)(C)Cl D89422 [0,1,1,0,0,0|2,0,0]=4 73 B8R0.29 CC(C)CCC(C)(C)O D89960 [0,1,1,0,0,0|1,0,0]=3 74 B8R0.14 CCC[C@H](C)C(C)(C)O D89959 [0,1,1,0,0,0|1,0,0]=3 75 B8R0.14 CCC[C@H](O)C(C)(C)C D89874 [0,1,1,0,0,0|2,0,0]=4 76 B8R0.21 C=CCOCC(C)(C)O 92523 [0,1,1,0,0,0|0,0,2]=4 77 B8R0.21 CCC\C=C\C(C)(C)C T70509 [0,1,1,0,0,0|2,0,0]=4 78 B8R0.25 CCCCC(C)(C)CC D89811 [0,1,1,0,0,0|2,0,0]=4 79 B8R0.25 CCCC[C@@](C)(O)CC D91413 [0,1,1,0,0,0|1,0,0]=3 80 B8R0.27 CC(C)[C@H](C)C(C)(C)O D90064 [0,1,1,0,0,0|1,0,0]=3 81 B8R0.33 CC(C)(C)CC(C)(C)C D92505 [0,1,1,0,0,0|2,0,0]=4 82 B8R0.33 CC(C)(C)CC(C)(C)N D92742 [0,1,1,0,0,0|2,0,0]=4 83 B8R0.33 CC(C)(C)CC(C)(C)N D92743 [0,1,1,0,0,0|2,0,0]=4 84 B8R0.33 CC(C)(C)SC(C)(C)C D88695 [0,1,1,0,0,0|1,1,0]=4 85 B8R0.30 CCOC(C)(C)OCC D89659 [0,1,1,0,0,0|0,0,0]=2 86 B8R1.52 CC1(CBr)OCCO1 AC9362 [1,1,0,0,0,0|0,0,0]=2 87 B10R1.329 CC1CC(C)CC(C)(C)C1 D92511 [0,1,0,0,0,1|2,0,0]=4 88 B8R1.4 CC1CCOC(C)O1 D89707 [0,0,1,1,0,0|2,0,0]=4 89 B8R1.4 CC1CNCC(C)O1 F17632 [0,0,1,1,0,0|1,0,0]=3 90 B8R1.4 C[C@H]1CCC[C@@H](C)C1 D89772 [0,0,1,1,0,0|2,0,0]=4 91 B8R1.4 C[C@H]1CCC[C@H](C)C1 D89771 [0,0,1,1,0,0|2,0,0]=4 92 B8R1.4 C[C@H]1CNC[C@@H](C)N1 H10755 [0,0,1,1,0,0|2,0,0]=4 93 B8R1.4 C[C@H]1CNC[C@H](C)O1 P20445 [0,0,1,1,0,0|1,0,0]=3 94 B8R1.3 CC1CCC(C)CC1 D89704 [0,0,1,1,0,0|2,0,0]=4 95 B8R1.3 CC1CCC(N)CC1 D91414 [0,0,1,1,0,0|2,0,0]=4 96 B8R1.3 CC1CCC(N)CC1 W10116 [0,0,1,1,0,0|2,0,0]=4 97 B8R1.3 C[C@H]1CC[C@@H](C)CC1 D89914 [0,0,1,1,0,0|2,0,0]=4 98 B8R1.3 C[C@H]1CC[C@@H](O)CC1 D91323 [0,0,1,1,0,0|1,0,0]=3 99 B8R1.3 C[C@H]1CN[C@H](C)CN1 F12545 [0,0,1,1,0,0|2,0,0]=4 100 B8R1.3 NC1CCC(O)CC1 AB1056 [0,0,1,1,0,0|2,0,0]=4 101 B8R1.3 N[C@H]1CC[C@@H](O)CC1 N11961 [0,0,1,1,0,0|2,0,0]=4 102 B8R1.77 CC1(C)O[C@@H]1C(=O)O AC5964 [0,0,1,1,0,0|1,0,1]=4 103 B8R2.34 C1CC2CCC1C2 D91724 [1,0,0,1,0,0|2,0,0]=4 104 B8R2.34 C1OC2CNC1C2 P17264 [1,0,0,1,0,0|2,0,0]=4 105 B6R0.3 CC(O)C(O)CO D88714 [0,0,1,0,1,0|2,0,0]=4 106 B6R0.3 CCC(C)C(C)O D91394 [0,0,1,0,1,0|2,0,0]=4 107 B6R0.3 CC[C@H](C)C(C)C D89715 [0,0,1,0,1,0|1,0,0]=3 108 B6R0.3 CN[C@@H](C)C(C)C D77563 [0,0,1,0,1,0|2,0,0]=4 109 B6R0.7 CC(C)C(C)(C)C D92381 [0,0,1,0,1,0|1,0,0]=3 110 B6R0.7 C[C@H](N)C(C)(C)C 70840 [0,0,1,0,1,0|2,0,0]=4 111 B6R0.7 C[C@H](N)C(C)(C)C D83289 [0,0,1,0,1,0|2,0,0]=4 112 B6R0.7 C[C@H](N)C(C)(C)C N12137 [0,0,1,0,1,0|2,0,0]=4 113 B8R0.28 CC(=O)CCOC(C)C D91116 [0,0,1,0,0,1|0,0,2]=4 114 B8R0.28 CC(C)CCC[C@H](C)N C10809 [0,0,1,0,0,1|2,0,0]=4 115 B8R0.28 CC(C)CCC[C@H](C)N F20422 [0,0,1,0,0,1|2,0,0]=4 116 B8R0.28 CC(C)CCC[C@H](C)O D91384 [0,0,1,0,0,1|1,0,0]=3 117 B8R0.28 CC(C)COCC(C)C D89882 [0,0,1,0,0,1|1,0,0]=3 118 B8R0.28 CC(C)CSCC(C)C D91079 [0,0,1,0,0,1|1,1,0]=4