0 B10R0.91 C#CCOC(=O)NCCCC D81823 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.91 C=CCOC(=O)CCCCC A50641 [0,0,0,0,0,0|0,0,0]=0 2 B10R0.91 C=CCOC(=O)NCCCN F51395 [0,0,0,0,0,0|2,0,0]=2 3 B10R0.91 CCCCCC(=O)OCCC D92174 [0,0,0,0,0,0|0,0,2]=2 4 B10R0.91 CCCCOC(=O)CCCC D89067 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.5 CCCCNC(=O)CC#N D70031 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.5 CCCNCC(=O)OCC 20892 [1,0,0,0,0,0|1,0,1]=3 7 B9R0.5 CCC\C=C\C(=O)OCC D90567 [1,0,0,0,0,0|0,0,3]=4 8 B9R0.5 CCOC(=O)CCCCBr 78992 [1,0,0,0,0,0|1,0,1]=3 9 B9R0.5 CCOC(=O)COCCCl 30785 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.18 C=CCOC(=O)NCCN I11289 [1,0,0,0,0,0|2,0,0]=3 11 B9R0.45 C=CCCCCCCCBr I11993 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.45 C=CCCCCCCCCl N12233 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.45 C=CCCCCCCCO D91757 [1,0,0,0,0,0|2,0,1]=4 14 B11R0.5 C=CCCC(=O)CC(=O)OCC D82674 [0,1,0,0,0,0|2,0,1]=4 15 B11R0.46 CCCCOC(=O)CCC(C)=O D78070 [0,1,0,0,0,0|2,0,1]=4 16 B11R0.81 C=CCOC(=O)CCCCCC A50640 [0,1,0,0,0,0|0,0,0]=1 17 B11R0.81 CCCCCCC(=O)OCCC D95754 [0,1,0,0,0,0|0,0,2]=3 18 B11R0.140 CCCCCC(=O)CCCCC D92760 [0,1,0,0,0,0|1,0,2]=4 19 B11R0.140 CCCCNC(=O)OCC#CI 33389 [0,1,0,0,0,0|1,0,2]=4 20 B11R1.28 CCCCCC1=CC=CC=C1 D88261 [0,0,0,1,0,0|2,0,1]=4 21 B8R0.1 C=CCCC(=O)OCC H10612 [2,0,0,0,0,0|2,0,0]=4 22 B8R0.1 C=CCOC(=O)CC#N D74895 [2,0,0,0,0,0|1,0,1]=4 23 B8R0.1 CCOC(=O)CCCBr F11167 [2,0,0,0,0,0|1,0,1]=4 24 B8R0.1 CCOC(=O)CCCI 74907 [2,0,0,0,0,0|1,0,1]=4 25 B8R0.1 CCOC(=O)CCCN 20516 [2,0,0,0,0,0|1,0,1]=4 26 B8R0.1 CCOC(=O)CCNC 30981 [2,0,0,0,0,0|1,0,1]=4 27 B8R0.1 CCOC(=O)CCOC D91424 [2,0,0,0,0,0|1,0,1]=4 28 B8R0.1 CCOC(=O)CCSC D90571 [2,0,0,0,0,0|1,0,1]=4 29 B8R0.1 CCOCC(=O)OCC D81905 [2,0,0,0,0,0|1,0,1]=4 30 B8R0.4 C=CCCCCCCBr 78390 [2,0,0,0,0,0|1,0,1]=4 31 B8R0.4 C=CCCCCCCCl I11995 [2,0,0,0,0,0|1,0,1]=4 32 B8R0.4 CCCCC\C=C\C=O D91827 [2,0,0,0,0,0|1,0,1]=4 33 B8R0.4 CCCCC\C=C\CO D91843 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.6 C#CCCCC(=O)OC C90747 [2,0,0,0,0,0|0,0,2]=4 35 B8R0.6 C=CC(=O)CCCCC D71008 [2,0,0,0,0,0|0,0,0]=2 36 B8R0.6 C=CC(=O)NCCCC D82024 [2,0,0,0,0,0|1,0,0]=3 37 B8R0.6 C=CCCCC(=O)OC H11902 [2,0,0,0,0,0|0,0,2]=4 38 B8R0.6 C=C[C@@H](O)CCCCC D91822 [2,0,0,0,0,0|0,0,2]=4 39 B8R0.6 CCCCNC(=O)CC D88679 [2,0,0,0,0,0|1,0,1]=4 40 B8R0.6 CCCCNC(=O)CCl 23765 [2,0,0,0,0,0|2,0,0]=4 41 B8R0.6 CCCCOC(=O)CN F52077 [2,0,0,0,0,0|2,0,0]=4 42 B8R0.6 CCCCOC(=O)CO D70201 [2,0,0,0,0,0|2,0,0]=4 43 B8R0.6 CCC\C=C\C(=O)OC 28979 [2,0,0,0,0,0|0,0,2]=4 44 B8R0.6 CCC\C=C\C(=O)OC AC7684 [2,0,0,0,0,0|0,0,2]=4 45 B8R0.6 CCNCCC(=O)OC 31591 [2,0,0,0,0,0|1,0,0]=3 46 B8R0.6 CC\C=C\CC(=O)OC D93382 [2,0,0,0,0,0|0,0,2]=4 47 B8R0.6 CNCCCC(=O)OC AB9747 [2,0,0,0,0,0|1,0,0]=3 48 B8R0.6 COC(=O)CCCC#N 32622 [2,0,0,0,0,0|1,0,1]=4 49 B8R0.6 COC(=O)CCCCBr 76669 [2,0,0,0,0,0|1,0,0]=3 50 B8R0.6 COC(=O)CCCCCl D75917 [2,0,0,0,0,0|1,0,0]=3 51 B8R0.6 COC(=O)CCCCN 76218 [2,0,0,0,0,0|1,0,0]=3 52 B8R0.6 COC(=O)COCCCl 39408 [2,0,0,0,0,0|2,0,0]=4 53 B8R0.6 COCCCC(=O)OC F14920 [2,0,0,0,0,0|1,0,0]=3 54 B10R0.1 CCOC(=O)CCCCC=O N10652 [1,1,0,0,0,0|0,0,2]=4 55 B10R0.1 CCOC(=O)CCCCCBr 73728 [1,1,0,0,0,0|0,0,1]=3 56 B10R0.1 CCOC(=O)CCCCCN V10012 [1,1,0,0,0,0|0,0,1]=3 57 B10R0.1 CCOC(=O)CCCCCO A11137 [1,1,0,0,0,0|0,0,1]=3 58 B10R0.1 CCOC(=O)COCCCCl AC8364 [1,1,0,0,0,0|1,0,1]=4 59 B10R0.2 CCC[C@H](O)CC(=O)OCC D70264 [1,1,0,0,0,0|0,0,1]=3 60 B10R0.2 CCOC(=O)C[C@@H](O)CCN 56047 [1,1,0,0,0,0|1,0,1]=4 61 B10R0.3 CCOC(=O)CCCC(C)=O 95732 [1,1,0,0,0,0|0,0,2]=4 62 B10R0.6 CCCCCC(=O)OC(C)C D89305 [1,1,0,0,0,0|0,0,1]=3 63 B10R0.6 CCCOCC(=O)OC(C)C D81295 [1,1,0,0,0,0|1,0,1]=4 64 B10R0.19 CCCCC(=O)C(=O)OCC 35739 [1,1,0,0,0,0|0,0,2]=4 65 B10R0.19 CCCC[C@H](Br)C(=O)OCC D95689 [1,1,0,0,0,0|0,0,1]=3 66 B10R0.19 CCOC(=O)[C@@H](N)CCCN D76151 [1,1,0,0,0,0|1,0,1]=4 67 B10R0.19 CCOC(=O)[C@@H](N)CCSC 39404 [1,1,0,0,0,0|1,0,1]=4 68 B10R0.19 CCOC(=O)[C@@H](N)CCSC F10970 [1,1,0,0,0,0|1,0,1]=4 69 B10R0.78 CCCCC(=O)OCC(C)C D95777 [1,1,0,0,0,0|0,0,2]=4 70 B10R0.71 C=CCCCCCCCCBr 29297 [1,1,0,0,0,0|1,0,1]=4 71 B10R0.71 CCCCC\C=C\C=C\C=O AC8162 [1,1,0,0,0,0|1,0,1]=4 72 B12R0.351 CCCC[C@H](CC)C(=O)OCCO D94283 [0,2,0,0,0,0|1,0,1]=4 73 B12R0.206 CCCCCCCC(=O)OCCC D92187 [0,2,0,0,0,0|0,0,2]=4 74 B12R0.233 CCCCCC(=O)OCCC(C)C D90799 [0,2,0,0,0,0|0,0,2]=4 75 B10R1.11 CCOC(=O)[C@@H]1CCCN1 73266 [1,0,0,1,0,0|1,0,1]=4 76 B10R1.11 CCOC(=O)[C@@H]1CCCN1 F10609 [1,0,0,1,0,0|1,0,1]=4 77 B10R1.11 CCOC(=O)[C@@H]1CCCO1 F19887 [1,0,0,1,0,0|1,0,1]=4 78 B10R1.11 CCOC(=O)[C@H]1CCNC1 23797 [1,0,0,1,0,0|1,0,1]=4 79 B10R1.11 CCOC(=O)[C@H]1CCNC1 90547 [1,0,0,1,0,0|1,0,1]=4 80 B10R1.11 CCOC(=O)[C@H]1CCNC1 90548 [1,0,0,1,0,0|1,0,1]=4 81 B10R1.21 CCCCCC1=CC=CO1 H11330 [1,0,0,1,0,0|1,0,0]=3 82 B10R1.21 CCCCCC1=CC=CS1 F15453 [1,0,0,1,0,0|0,1,1]=4 83 B10R1.137 CCOC(=O)CC1CCC1 83274 [1,0,0,1,0,0|0,0,1]=3 84 B10R1.138 CCOC(=O)CNC1CC1 20926 [1,0,0,1,0,0|1,0,1]=4 85 B10R1.4 C=CC[C@H]1CCCCC1=O 51110 [1,0,0,1,0,0|1,0,0]=3 86 B10R1.17 C=CCO[C@@H]1CCCCO1 C93480 [1,0,0,1,0,0|0,0,2]=4 87 B12R1.460 C=CCOC(=O)[C@@H]1CCCC1=O AC2196 [0,1,0,1,0,0|0,0,1]=3 88 B12R1.30 C=CCOC(=O)N1CCNCC1 F13975 [0,1,0,1,0,0|1,0,0]=3 89 B12R1.567 CCCCCC1=C(C)CCC1=O D89856 [0,1,0,1,0,0|1,0,1]=4 90 B12R2.24 O=C1CCC2CCCCC2O1 D73280 [0,0,0,2,0,0|0,0,2]=4