0 B7R0.1 CNCCCCC=C CB11323 [1,0,0,0,0,0|1,0,0]=2 1 B7R0.4 B(CCCCC)(O)O AB08098 [1,0,0,0,0,0|2,0,0]=3 2 B9R0.34 CCOC(=O)CC(C=C)O MB69298 [0,1,0,0,0,0|1,0,1]=3 3 B9R1.1 C1CC(CCC1CO)O CB11469 [0,0,0,1,0,0|1,0,2]=4 4 B9R1.1 CCN1CCC(CC1)O MB00190 [0,0,0,1,0,0|1,0,2]=4 5 B9R1.1 CN[C@H]1CC[C@@H](CC1)O PB13112 [0,0,0,1,0,0|1,0,2]=4 6 B9R1.1 CN[C@H]1CC[C@H](CC1)O PB22804 [0,0,0,1,0,0|1,0,2]=4 7 B9R1.3 CN1CCCC(C1=O)N PB20691 [0,0,0,1,0,0|3,0,0]=4 8 B9R1.5 C1CC[C@H]([C@@H](CC1)O)N AB46023 [0,0,0,1,0,0|1,0,1]=3 9 B9R1.5 C1CC[C@H]([C@H](CC1)O)N AB46024 [0,0,0,1,0,0|1,0,1]=3 10 B9R1.21 C1CC(OC1CO)CO CB10715 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.49 CN1CCCC(CC1)O PB20925 [0,0,0,1,0,0|1,0,2]=4 12 B9R1.118 C#CC1(CCOCC1)O PB25698 [0,0,0,1,0,0|1,0,2]=4 13 B9R1.118 C1CC(CNC1)(CO)O PB39138 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.118 C1CCC(CC1)(C#N)Br MB13673 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.118 C1CCC(CC1)(C#N)Cl MB00771 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.118 C1CNCCC1(CF)O PB31980 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.118 C1CNCCC1(CO)O PB28497 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.118 CCC1(CCNCC1)O PB28609 [0,0,0,1,0,0|1,0,2]=4 19 B6R0.6 CCCNCCC AB02251 [2,0,0,0,0,0|1,0,1]=4 20 B8R0.7 B(CCCCCC)(O)O AB08083 [1,1,0,0,0,0|2,0,0]=4 21 B8R0.5 CCCC(CC(=O)O)N AB01975 [1,1,0,0,0,0|1,0,1]=4 22 B8R1.2 C1CC(COC1)C=O AB16155 [1,0,0,1,0,0|2,0,0]=4 23 B8R1.2 C1CCNC(C1)C=O AB52540 [1,0,0,1,0,0|2,0,0]=4 24 B8R1.2 C1CCOC(C1)C=O MB05934 [1,0,0,1,0,0|2,0,0]=4 25 B8R1.2 C1CNCCC1C=O AB52543 [1,0,0,1,0,0|2,0,0]=4 26 B8R1.2 C1COCCC1C=O AB14645 [1,0,0,1,0,0|2,0,0]=4 27 B8R1.2 C1CSCCC1C=O AB14650 [1,0,0,1,0,0|2,0,0]=4 28 B8R1.5 C1CCC(=O)C(C1)F MB01688 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.5 CC1CCNCC1=O PB36769 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.5 CC1CNCCC1=O PB23474 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.5 CC1COCCC1=O PB26907 [1,0,0,1,0,0|2,0,0]=4 32 B8R1.8 C1CC(OC1)CC=O AB76318 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.8 C1CCC(C1)CCN AB02350 [1,0,0,1,0,0|1,0,1]=4 34 B8R1.8 C1CCC(C1)CON CB11464 [1,0,0,1,0,0|2,0,0]=4 35 B8R1.8 C1COCC1CC=O AB75447 [1,0,0,1,0,0|2,0,0]=4 36 B8R1.8 CCCC1CCCN1 AB12028 [1,0,0,1,0,0|1,0,1]=4 37 B8R1.22 C1CC(=O)CCNC1 PB26051 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.22 C1CC(=O)CCOC1 AB76453 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.4 CC1CC(CCN1)O PB10241 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.4 CC1CC(CCO1)O PB22789 [1,0,0,1,0,0|1,0,1]=4 41 B8R1.4 CN1CCCC(C1)O PB17042 [1,0,0,1,0,0|1,0,1]=4 42 B8R1.4 CN1CCC[C@@H](C1)O PB31843 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.4 CN1CCC[C@H](C1)O PB31692 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.4 C[C@@H]1CCC[C@@H](N1)C AB02692 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.4 C[C@@H]1CCC[C@H](N1)C AB76289 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.4 C[C@@H]1CNC[C@@H](O1)C PB30593 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.4 C[C@@H]1CNC[C@H](O1)C AB85737 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.4 C[C@@H]1C[C@@H](CCN1)O PB38196 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.4 C[C@H]1CNC[C@@H](O1)C AB85738 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.4 C[C@H]1CNC[C@@H](O1)C PB23755 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.4 C[C@H]1C[C@H](CCN1)O PB35360 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.7 B(C1CCCC1)(O)O AB08034 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.7 C1CCC(C1)C(=O)O AB00138 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.72 CC1(CCCNC1)O PB32801 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.72 CC1(CCNCC1)O PB10877 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.72 CC1(CCNCC1)O PB32903 [1,0,0,1,0,0|1,0,1]=4 57 B10R1.54 CC(=O)O[C@@H]1C[C@@H](C=C1)O PB32133 [0,1,0,1,0,0|1,0,1]=4 58 B10R1.23 C1CCC(C1)[C@@H](C(=O)O)N AB15910 [0,1,0,1,0,0|2,0,0]=4 59 B10R1.23 C1CCC(C1)[C@H](C(=O)O)N AB15907 [0,1,0,1,0,0|2,0,0]=4 60 B10R2.178 C1CC2C(=O)CCC1N2 PB36488 [0,0,0,2,0,0|2,0,0]=4 61 B10R2.178 C1CC2C(CCC1N2)O PB38793 [0,0,0,2,0,0|1,0,1]=4 62 B10R2.61 C1CC2CC(C(C1)N2)O PB38343 [0,0,0,2,0,0|1,0,1]=4 63 B10R2.61 C1C[C@@H]2C[C@@H]([C@H](C1)N2)O PB39013 [0,0,0,2,0,0|1,0,1]=4 64 B10R2.61 C1C[C@@H]2C[C@H]([C@H](C1)N2)O PB39032 [0,0,0,2,0,0|1,0,1]=4 65 B10R2.41 C1C2COC(C2=O)CN1 PB37278 [0,0,0,2,0,0|2,0,0]=4