0 B10R0.2 CCOC(=O)\C=C(/C)OCC AC2253 [0,0,0,0,0,0|2,0,1]=3 1 B10R0.2 O=C(CCCl)OC(=O)CCCl AC9354 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.5 CCOC(=O)CCCC#N 84960 [1,0,0,0,0,0|1,0,2]=4 3 B9R0.5 CCOC(=O)CCCC=O N10598 [1,0,0,0,0,0|1,0,2]=4 4 B9R0.5 CCOC(=O)CCCCN 23836 [1,0,0,0,0,0|1,0,1]=3 5 B9R0.5 CCOC(=O)\C=C\CCBr I11241 [1,0,0,0,0,0|1,0,1]=3 6 B9R0.5 CCOC(=O)\C=C\CCO W16297 [1,0,0,0,0,0|1,0,1]=3 7 B9R0.34 CCC[C@H](N)CC(=O)OC N15478 [1,0,0,0,0,0|1,0,1]=3 8 B9R0.34 CCC[C@H](N)CC(=O)OC N16940 [1,0,0,0,0,0|1,0,1]=3 9 B9R0.34 CCC[C@H](O)CC(=O)OC D93333 [1,0,0,0,0,0|0,0,2]=3 10 B9R0.34 CCOC(=O)CC(=N)NO Y14772 [1,0,0,0,0,0|3,0,0]=4 11 B9R0.34 CCOC(=O)C[C@@H](C)CC D78451 [1,0,0,0,0,0|1,0,1]=3 12 B9R0.34 CCOC(=O)C[C@H](C)NC AC6615 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.34 CCOC(=O)C[C@H](O)CCl 32733 [1,0,0,0,0,0|1,0,2]=4 14 B9R0.34 CCOC(=O)NC(=O)CCl D75421 [1,0,0,0,0,0|2,0,0]=3 15 B11R0.1 CCOC(=O)C[C@@H](O)CC(C)C D96336 [0,1,0,0,0,0|0,0,2]=3 16 B11R0.177 C=C(C(=O)OCC)C(=O)OCC 73875 [0,1,0,0,0,0|1,0,1]=3 17 B11R0.182 CCC[C@H](CC)CC(=O)OCC D93218 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.30 CCOC(=O)C=C1CCCC1 95468 [0,0,0,1,0,0|1,0,1]=3 19 B11R1.30 CCOC(=O)CC1CCCC1 F11924 [0,0,0,1,0,0|1,0,1]=3 20 B11R1.30 CCOC(=O)C[C@H]1CCNC1 P12138 [0,0,0,1,0,0|2,0,1]=4 21 B11R1.199 CCOC(=O)C1CCCC1O 74882 [0,0,0,1,0,0|0,0,2]=3 22 B11R1.199 CCOC(=O)C1NCCC1N 60856 [0,0,0,1,0,0|2,0,1]=4 23 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 30653 [0,0,0,1,0,0|1,0,1]=3 24 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 31838 [0,0,0,1,0,0|1,0,1]=3 25 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N 31887 [0,0,0,1,0,0|1,0,1]=3 26 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N AC4201 [0,0,0,1,0,0|1,0,1]=3 27 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N C13819 [0,0,0,1,0,0|1,0,1]=3 28 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O C74194 [0,0,0,1,0,0|0,0,2]=3 29 B11R1.199 CCOC(=O)[C@@H]1CCNC1=O 38525 [0,0,0,1,0,0|1,0,0]=2 30 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AC6749 [0,0,0,1,0,0|1,0,1]=3 31 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N AT11251 [0,0,0,1,0,0|1,0,1]=3 32 B11R1.199 CCOC(=O)[C@H]1CNC[C@@H]1C F13023 [0,0,0,1,0,0|2,0,1]=4 33 B11R1.201 CCOC(=O)CC1CC(O)C1 38855 [0,0,0,1,0,0|2,0,1]=4 34 B11R1.425 CCN1C(=O)CC(=O)N1CC D93140 [0,0,0,1,0,0|2,0,0]=3 35 B11R1.840 CCOC(=O)CC1(F)CCC1 72955 [0,0,0,1,0,0|1,0,1]=3 36 B11R1.840 CCOC(=O)CC1(N)CCC1 F51920 [0,0,0,1,0,0|1,0,1]=3 37 B11R1.840 CCOC(=O)CC1(N)COC1 37732 [0,0,0,1,0,0|2,0,1]=4 38 B11R1.840 CCOC(=O)CC1(N)COC1 66130 [0,0,0,1,0,0|2,0,1]=4 39 B11R1.840 CCOC(=O)CC1(O)COC1 P14329 [0,0,0,1,0,0|1,0,2]=4 40 B9R0.35 CCCN(N)C(=O)OCC W11062 [0,0,0,0,1,0|2,0,0]=3 41 B9R0.35 CCNC(=O)C(=O)OCC W18547 [0,0,0,0,1,0|1,0,0]=2 42 B9R0.35 CCOC(=O)C(=O)CC#N C75508 [0,0,0,0,1,0|1,0,1]=3 43 B11R0.62 CCOC(=O)CNC(=O)OCC AB7203 [0,0,0,0,0,1|1,0,0]=2 44 B11R0.62 CCOC(=O)CSC(=S)OCC AR3749 [0,0,0,0,0,1|1,1,0]=3 45 B8R0.1 CCOC(=O)CCC#N 82565 [2,0,0,0,0,0|1,0,1]=4 46 B8R0.1 CCOC(=O)CCC=O AB9300 [2,0,0,0,0,0|1,0,1]=4 47 B8R0.1 CCOC(=O)CCCO C91677 [2,0,0,0,0,0|1,0,0]=3 48 B8R0.6 CCCCCC(=O)CBr C73149 [2,0,0,0,0,0|1,0,1]=4 49 B8R0.6 COC(=O)COCCO D84694 [2,0,0,0,0,0|2,0,0]=4 50 B8R0.6 COC\C=C\C(=O)OC P17071 [2,0,0,0,0,0|1,0,1]=4 51 B8R0.5 CCCC(=O)CC(C)=O 79568 [2,0,0,0,0,0|0,0,0]=2 52 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [2,0,0,0,0,0|1,0,1]=4 53 B8R0.5 CCC[C@H](N)CC(=O)O C76010 [2,0,0,0,0,0|1,0,1]=4 54 B8R0.5 CCC\C(C)=C\C(=O)O A11778 [2,0,0,0,0,0|1,0,1]=4 55 B8R0.5 CCOC(=O)CC(=O)[O-] C15698 [2,0,0,0,0,0|1,0,0]=3 56 B8R0.5 CCOC(=O)C[C@H](C)N H10190 [2,0,0,0,0,0|1,0,1]=4 57 B8R0.19 CC[C@H](N)CC(=O)OC N12944 [2,0,0,0,0,0|1,0,1]=4 58 B8R0.19 CC[C@H](O)CC(=O)OC C15791 [2,0,0,0,0,0|0,0,2]=4 59 B10R0.1 CCCCNCC(=O)OCC AB3730 [1,1,0,0,0,0|0,0,1]=3 60 B10R0.1 CCOC(=O)CNCCC#N AB7171 [1,1,0,0,0,0|1,0,1]=4 61 B10R0.1 CCOC(=O)CNCCC#N Y10514 [1,1,0,0,0,0|1,0,1]=4 62 B10R0.1 CCOC(=O)\C=C\CCCCl 58166 [1,1,0,0,0,0|0,0,1]=3 63 B10R0.3 C=C(C)CCCC(=O)OCC C75004 [1,1,0,0,0,0|0,0,2]=4 64 B10R0.3 CCOC(=O)\C=C\CN(C)C D80188 [1,1,0,0,0,0|1,0,1]=4 65 B10R0.83 CCCCCC(=O)[C@@H](C)CC D84197 [1,1,0,0,0,0|1,0,1]=4 66 B10R0.91 CCCCNC(=O)OCCO D93331 [1,1,0,0,0,0|1,0,1]=4 67 B10R0.18 C#CCCC(=O)CC(=O)OC N11412 [1,1,0,0,0,0|0,0,1]=3 68 B10R0.18 COCCC(=O)CC(=O)OC T72723 [1,1,0,0,0,0|0,0,0]=2 69 B10R0.29 CCC[C@H](CC)CC(=O)OC D94272 [1,1,0,0,0,0|1,0,1]=4 70 B10R0.35 CCOC(=O)[C@@H](C)C(=O)CC AB10080 [1,1,0,0,0,0|0,0,0]=2 71 B10R0.35 CCOC(=O)[C@@H](N)[C@H](C)CC AC2330 [1,1,0,0,0,0|1,0,1]=4 72 B10R0.44 COC(=O)CC(=O)CC(C)=O C74527 [1,1,0,0,0,0|0,0,1]=3 73 B12R0.101 CCCC[C@H](C)CCC(=O)OCC A11793 [0,1,0,0,0,1|1,0,1]=4 74 B12R0.78 CCOC(=O)CC(=O)CC(C)(C)C AB1431 [0,2,0,0,0,0|0,0,0]=2 75 B12R0.239 CCOC(=O)CC(=O)CCCCCl AB22522 [0,2,0,0,0,0|0,0,0]=2 76 B12R0.8 CCOC(=O)C(=[N+]=[N-])C(=O)OCC AC8178 [0,2,0,0,0,0|1,0,1]=4 77 B12R0.8 CCOC(=O)C(NC)C(=O)OCC C75656 [0,2,0,0,0,0|1,0,0]=3 78 B12R0.22 CCCN(CCC)CC(=O)OCC AB22537 [0,2,0,0,0,0|2,0,0]=4 79 B10R1.11 CCOC(=O)C1=CCCC1 71128 [1,0,0,1,0,0|0,0,1]=3 80 B10R1.11 CCOC(=O)[C@H]1CCNC1 AC2254 [1,0,0,1,0,0|1,0,1]=4 81 B10R1.78 O=C1CCCCCCCC1 AC8766 [1,0,0,1,0,0|1,0,1]=4 82 B10R1.78 O=C1CCCCCCCN1 D74918 [1,0,0,1,0,0|1,0,1]=4 83 B10R1.135 CCOC(=O)C1CC1CO F13437 [1,0,0,1,0,0|1,0,1]=4 84 B10R1.135 CCOC(=O)[C@H]1C[C@H]1CO F50050 [1,0,0,1,0,0|1,0,1]=4 85 B10R1.137 CCOC(=O)CC1CNC1 D80644 [1,0,0,1,0,0|1,0,1]=4 86 B10R1.137 CCOC(=O)CC1COC1 82536 [1,0,0,1,0,0|1,0,1]=4 87 B10R1.138 CCOC(=O)\C=C\C1CC1 W10675 [1,0,0,1,0,0|0,0,1]=3 88 B10R1.27 COC(=O)C[C@H]1CCCN1 27751 [1,0,0,1,0,0|1,0,1]=4 89 B10R1.27 COC(=O)C[C@H]1CCCN1 C74748 [1,0,0,1,0,0|1,0,1]=4 90 B10R1.149 COC(=O)[C@@H]1CCCN1C D94450 [1,0,0,1,0,0|2,0,0]=4 91 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N 30654 [1,0,0,1,0,0|1,0,1]=4 92 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N N12552 [1,0,0,1,0,0|1,0,1]=4 93 B10R1.149 COC(=O)[C@@H]1CCNC1=O 36442 [1,0,0,1,0,0|1,0,0]=3 94 B10R1.149 COC(=O)[C@@H]1CCOC1=O F31228 [1,0,0,1,0,0|1,0,0]=3 95 B10R1.149 COC(=O)[C@@H]1SCCC1=O 84770 [1,0,0,1,0,0|1,0,0]=3 96 B10R1.149 COC(=O)[C@H]1CCC[C@@H]1N D96592 [1,0,0,1,0,0|1,0,1]=4 97 B10R1.181 CCOC(=O)CC1(N)CC1 P12553 [1,0,0,1,0,0|1,0,1]=4 98 B10R1.212 CCOC(=O)C(=O)C1CC1 D85551 [0,0,0,1,1,0|0,0,0]=2 99 B10R1.212 CCOC(=O)[C@@H](Br)C1CC1 38125 [0,0,0,1,1,0|1,0,1]=4 100 B10R1.401 CCOC(=O)C1(C)CCC1 F16289 [0,0,0,1,1,0|1,0,1]=4 101 B10R1.401 CCOC(=O)C1(F)CCC1 W16480 [0,0,0,1,1,0|1,0,1]=4 102 B12R1.17 CCOC(=O)C1CCCC(N)C1 O11772 [0,0,0,1,0,1|1,0,1]=4 103 B12R1.17 CCOC(=O)[C@@H]1CC(=O)CCO1 P12863 [0,0,0,1,0,1|1,0,0]=3 104 B12R1.17 CCOC(=O)[C@@H]1CCC[C@H](O)C1 P18601 [0,0,0,1,0,1|0,0,2]=4 105 B12R1.17 CCOC(=O)[C@@H]1CCC[C@H](O)C1 P19697 [0,0,0,1,0,1|0,0,2]=4 106 B12R1.17 CCOC(=O)[C@@H]1CCC[C@H](O)C1 P20275 [0,0,0,1,0,1|0,0,2]=4 107 B12R1.17 CCOC(=O)[C@H]1CCCC(=O)C1 D96698 [0,0,0,1,0,1|0,0,0]=2 108 B12R1.17 CCOC(=O)[C@H]1CCC[C@H](O)C1 P18602 [0,0,0,1,0,1|0,0,2]=4 109 B12R1.17 COCC(=O)N1CCNC(=O)C1 W15247 [0,0,0,1,0,1|2,0,0]=4 110 B12R1.51 CCOC(=O)CCC1CCCC1 AB7178 [0,0,0,1,0,1|1,0,1]=4 111 B12R1.318 CCOC(=O)CN1CCCC1=O D85969 [0,0,0,1,0,1|0,0,0]=2 112 B12R1.144 CC(C)OC(=O)[C@@H]1CCCC1=O D93338 [0,1,0,1,0,0|0,0,0]=2 113 B12R1.521 CCOC(=O)CC(=O)CC1CC1 AB1428 [0,1,0,1,0,0|0,0,0]=2 114 B12R1.32 CCOC(=O)C=C1CCCCC1 76494 [0,1,0,1,0,0|1,0,1]=4 115 B12R1.32 CCOC(=O)C=C1CCNCC1 W18114 [0,1,0,1,0,0|1,0,1]=4 116 B12R1.32 CCOC(=O)CC1CCSCC1 D83795 [0,1,0,1,0,0|1,0,1]=4 117 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 61904 [0,1,0,1,0,0|1,0,1]=4 118 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 61925 [0,1,0,1,0,0|1,0,1]=4 119 B12R1.32 CCOC(=O)C[C@H]1CNCCO1 AB1438 [0,1,0,1,0,0|0,0,2]=4 120 B12R1.32 CCOC(=O)\C=C1\CCCNC1 Y10007 [0,1,0,1,0,0|1,0,1]=4 121 B12R1.141 O=C1CCCCCCCC(=O)O1 F16497 [0,1,0,1,0,0|2,0,0]=4 122 B12R1.308 CCOC(=O)C1CCCCC1O C74768 [0,1,0,1,0,0|0,0,2]=4 123 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N P19069 [0,1,0,1,0,0|1,0,1]=4 124 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N Y13526 [0,1,0,1,0,0|1,0,1]=4 125 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N Y13543 [0,1,0,1,0,0|1,0,1]=4 126 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1O 68491 [0,1,0,1,0,0|0,0,2]=4 127 B12R1.308 CCOC(=O)[C@@H]1CCOCC1=O 56726 [0,1,0,1,0,0|0,0,0]=2 128 B12R1.308 CCOC(=O)[C@@H]1COCCC1=O 82580 [0,1,0,1,0,0|0,0,0]=2 129 B12R1.308 CCOC(=O)[C@@H]1COCC[C@@H]1N 66160 [0,1,0,1,0,0|1,0,1]=4 130 B12R1.308 CCOC(=O)[C@H]1CCCC[C@@H]1N D95476 [0,1,0,1,0,0|1,0,1]=4 131 B12R1.308 CCOC(=O)[C@H]1CCCC[C@@H]1N F53563 [0,1,0,1,0,0|1,0,1]=4 132 B12R1.308 CCOC(=O)[C@H]1CCCC[C@@H]1O 68490 [0,1,0,1,0,0|0,0,2]=4 133 B12R1.308 CCOC(=O)[C@H]1CCCN[C@@H]1C 50727 [0,1,0,1,0,0|1,0,1]=4 134 B12R1.308 CCOC(=O)[C@H]1CCCN[C@H]1C 50670 [0,1,0,1,0,0|1,0,1]=4 135 B12R1.308 CCOC(=O)[C@H]1CCNC[C@H]1C 60937 [0,1,0,1,0,0|1,0,1]=4 136 B12R1.520 CCOC(=O)CC(=O)C1(F)CC1 92840 [0,1,0,1,0,0|0,0,0]=2 137 B12R1.1579 CCOC(=O)[C@@H]1CCN(C)C1=O 61270 [0,1,0,1,0,0|1,0,0]=3 138 B12R2.2028 O=C1OC(=O)[C@H]2CCCC[C@H]12 T70765 [0,0,0,2,0,0|2,0,0]=4 139 B12R2.2028 O=C1OC(=O)[C@H]2CCCC[C@H]12 T71260 [0,0,0,2,0,0|2,0,0]=4 140 B8R0.3 CCCC(=O)C(=O)OC T72754 [1,0,0,0,1,0|0,0,0]=2 141 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [1,0,0,0,1,0|0,0,2]=4 142 B12R0.285 CCOC(=O)COCC(=O)OCC W16093 [0,0,0,0,0,2|1,0,0]=3