0 B10R1.329 CC1CC(C)(C)OC(C)O1 D93509 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.34 CC1CC(=O)CC(C)N1 32785 [1,0,0,0,0,0|1,0,2]=4 2 B9R1.34 CC1CC(O)CC(C)N1 D78847 [1,0,0,0,0,0|1,0,0]=2 3 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 P14153 [1,0,0,0,0,0|1,0,2]=4 4 B9R1.34 O[C@H]1C[C@@H](O)C[C@@H](O)C1 T70973 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.66 CC1(C)CCCC(=O)N1 W17371 [1,0,0,0,0,0|1,0,2]=4 6 B9R1.66 CC1(C)CCC[C@H](N)C1 P17894 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.66 CC1(C)C[C@@H](O)CCN1 Y10992 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.66 CC1(C)C[C@@H](O)CCO1 86677 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.66 C[C@H]1CC(F)(F)CCN1 37534 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.66 N[C@H]1CCCC(F)(F)C1 36231 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.66 N[C@H]1CCCC(F)(F)C1 P20961 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.325 C[C@H]1CC(=O)CC(C)(C)C1=O F11628 [0,1,0,0,0,0|0,0,3]=4 13 B11R1.1362 CC1(C)CC(N)CC(C)(C)O1 85236 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.1362 CC1(C)CC(O)CC(C)(C)O1 P12928 [0,1,0,0,0,0|1,0,0]=2 15 B9R0.44 CCC[C@H](C)CC(C)(C)C D92889 [0,0,1,0,0,0|1,0,0]=2 16 B9R0.53 CC(C)C[C@H](N)CC(=O)O F12354 [0,0,1,0,0,0|2,0,1]=4 17 B9R0.53 CC(O)CN(O)CC(C)O F20133 [0,0,1,0,0,0|3,0,0]=4 18 B9R0.58 CCC[C@](C)(O)CC(=O)O A10594 [0,0,1,0,0,0|2,0,1]=4 19 B11R2.526 CC1(O)CC2CCC(C1)N2 P12926 [0,0,0,1,0,0|3,0,0]=4 20 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [1,0,1,0,0,0|0,0,2]=4 21 B8R0.5 CCC[C@H](C)CC(C)C F17729 [1,0,1,0,0,0|0,0,0]=2 22 B8R0.24 CC[C@H](C)OC(C)(C)C A10768 [1,0,1,0,0,0|1,0,0]=3 23 B8R0.28 CC(C)OCOC(C)C D93413 [1,0,1,0,0,0|2,0,0]=4 24 B8R1.4 CC1CC(N)CCO1 D78849 [2,0,0,0,0,0|2,0,0]=4 25 B8R1.4 CC1CC(N)CCO1 P16002 [2,0,0,0,0,0|2,0,0]=4 26 B8R1.4 CC1CC(O)CCN1 33466 [2,0,0,0,0,0|1,0,0]=3 27 B8R1.4 CC1CC(O)CCN1 P17258 [2,0,0,0,0,0|1,0,0]=3 28 B8R1.4 CC1CNCC(C)O1 F18860 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.4 CC1CNCC(O)C1 AC5056 [2,0,0,0,0,0|1,0,0]=3 30 B8R1.4 CC1COCC(C)N1 P10582 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.4 CN1CCC[C@H](N)C1 37174 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.4 CN1CCC[C@H](N)C1 37175 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.4 CN1CCC[C@H](N)C1 F13528 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.4 CN1CCC[C@H](N)C1 P12011 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.4 C[C@@H]1CCC[C@H](N)C1 D84824 [2,0,0,0,0,0|1,0,0]=3 36 B8R1.4 C[C@@H]1CNC[C@H](C)C1 F12546 [2,0,0,0,0,0|1,0,0]=3 37 B8R1.4 C[C@H]1CN(C)CCN1 32818 [2,0,0,0,0,0|2,0,0]=4 38 B8R1.4 C[C@H]1CN(C)CCN1 F12507 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.4 C[C@H]1CN(C)CCN1 F12510 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.4 C[C@H]1CN(C)CCN1 P15101 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.4 C[C@H]1CN(C)CCN1 P18658 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.4 C[C@H]1CNC[C@H](C)N1 39071 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.4 C[C@H]1CNC[C@H](C)N1 98320 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.4 C[C@H]1CNC[C@H](C)O1 38409 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.4 C[C@H]1CNC[C@H](C)O1 70211 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.4 C[C@H]1COC[C@@H](C)N1 38385 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.4 C[C@H]1COC[C@H](C)N1 77576 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.4 C[C@H]1COC[C@H](C)N1 S10555 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.4 C[C@H]1COC[C@H](C)N1 S12093 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.4 NC1COCC(O)C1 91463 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10768 [2,0,0,0,0,0|1,0,0]=3 52 B8R1.4 N[C@@H]1CCC[C@H](O)C1 C14447 [2,0,0,0,0,0|1,0,0]=3 53 B8R1.4 N[C@@H]1CCC[C@H](O)C1 F11498 [2,0,0,0,0,0|1,0,0]=3 54 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P15640 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.4 N[C@H]1CCC[C@H](F)C1 72992 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.4 N[C@H]1CCC[C@H](N)C1 T70693 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.4 N[C@H]1CCC[C@H](O)C1 P15600 [2,0,0,0,0,0|1,0,0]=3 58 B8R1.4 N[C@H]1CCC[C@H](O)C1 P17839 [2,0,0,0,0,0|1,0,0]=3 59 B8R1.4 O[C@H]1CCC[C@@H](O)C1 T71365 [2,0,0,0,0,0|1,0,0]=3 60 B8R1.4 O[C@H]1CCC[C@H](O)C1 T71051 [2,0,0,0,0,0|1,0,0]=3 61 B8R1.72 CC1(Br)CCCCC1 P19508 [2,0,0,0,0,0|1,0,0]=3 62 B8R1.72 CC1(Br)CCOCC1 AC1905 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.72 CC1(C)CNCCO1 20348 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.72 CC1(F)CCNCC1 72921 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.72 CC1(N)CCNCC1 F30991 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.72 CC1(N)CCOCC1 P16590 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.72 CC1(O)CCOCC1 69121 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.72 CC1(O)CCSCC1 C74963 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.72 C[C@]1(O)CCCNC1 37167 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.72 C[C@]1(O)CCCNC1 P18955 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.72 C[C@]1(O)CCCNC1 Y10737 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.72 C[N+]1(C)CCOCC1 AB10337 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.72 C[Si]1(C)CCNCC1 P12584 [2,0,0,0,0,0|1,1,0]=4 74 B10R0.70 CC(C)CN(CC(C)C)N=O D93202 [0,1,1,0,0,0|1,0,1]=4 75 B10R1.8 CC1CC(C)CC(CO)C1 P18074 [1,1,0,0,0,0|0,0,0]=2 76 B10R1.120 CN1CC[C@H](N)C(C)(C)C1 F30417 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.120 CN1CC[C@H](N)C(C)(C)C1 F52473 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.171 CC1(C)CCC[C@H](CN)C1 54102 [1,1,0,0,0,0|0,0,0]=2 79 B10R1.171 CC1(C)CNC[C@H](CO)O1 62005 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.171 CC1(C)CNC[C@H](CO)O1 69552 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.171 CC1(C)CNC[C@H](CO)O1 69560 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.171 CC1(C)CNC[C@H](CO)O1 69564 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.171 CC1(C)C[C@@H](C=O)CCO1 65982 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.171 CC1(C)C[C@@H](CBr)CCO1 54910 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.171 CC1(C)C[C@@H](CN)CCO1 52507 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.171 CC1(C)C[C@@H](CN)CCO1 65984 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.171 CCN1CCNC(C)(C)C1 Y11100 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.171 NC[C@H]1CCCC(F)(F)C1 P18688 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.171 OC[C@H]1CCCC(F)(F)C1 P19049 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.307 CC1(C)CNCC(C)(C)O1 W11151 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.560 CC1(C)CC(=O)C(C)(C)C1 P10045 [0,1,0,0,1,0|0,0,2]=4 92 B12R1.242 CC1(C)CC(C#N)CC(C)(C)N1 54155 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.242 CC1(C)CC(CN)CC(C)(C)C1 79742 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.242 CC1(C)CC(CN)CC(C)(C)N1 54156 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.242 CC1(C)CC(CO)CC(C)(C)O1 P12766 [0,2,0,0,0,0|1,0,0]=3 96 B10R1.95 CC1(C)OC[C@H](CCO)O1 61345 [0,0,1,1,0,0|2,0,0]=4 97 B10R1.254 CC1(C)OC(C)(C)C1CO D79580 [0,0,1,1,0,0|1,0,0]=3 98 B10R2.63 NC1CC2CC(O)C1C2 P15428 [1,0,0,1,0,0|1,0,0]=3 99 B10R2.71 NC1C[C@@H]2CC[C@H](C1)N2 D78856 [1,0,0,1,0,0|2,0,0]=4 100 B10R2.71 O=C1CC2CCC(C1)C2 37889 [1,0,0,1,0,0|0,0,2]=4 101 B10R2.71 O[C@@H]1C[C@@H]2CC[C@H](C1)O2 P16198 [1,0,0,1,0,0|1,0,0]=3 102 B10R2.71 O[C@H]1C[C@@H]2CC[C@H](C1)O2 P16217 [1,0,0,1,0,0|1,0,0]=3 103 B10R2.534 C[C@H]1CNCC2(CC2)N1 81482 [1,0,0,1,0,0|2,0,0]=4 104 B10R2.534 N[C@H]1CCCC2(CC2)C1 P17890 [1,0,0,1,0,0|1,0,0]=3 105 B8R1.19 CC1(C)CCC[C@@H]1O D79630 [1,0,0,0,1,0|0,0,0]=2 106 B8R1.19 CC1(C)CCC[C@@H]1O D79631 [1,0,0,0,1,0|0,0,0]=2 107 B8R1.19 C[C@@H]1COC[C@]1(C)O 73229 [1,0,0,0,1,0|2,0,0]=4 108 B8R1.19 C[C@]1(O)CCC[C@@H]1N D79341 [1,0,0,0,1,0|2,0,0]=4 109 B8R1.51 CC1(C)CCC(=O)C1 55299 [1,0,0,0,1,0|0,0,2]=4 110 B8R1.51 CC1(C)CC[C@H](N)C1 P16857 [1,0,0,0,1,0|1,0,0]=3 111 B8R1.24 CC1(C)C(N)CC1O P14117 [0,0,0,0,2,0|1,0,0]=3 112 B8R1.24 CC1(C)C(N)CC1O W11253 [0,0,0,0,2,0|1,0,0]=3