0 B12R0.1 CCCCCCCCC(=O)OCC D70268 [0,0,0,0,0,0|0,0,0]=0 1 B12R0.1 CCOC(=O)CCCCCCCBr 36210 [0,0,0,0,0,0|1,0,0]=1 2 B11R0.3 CCCCCCCCCCCCl D89276 [1,0,0,0,0,0|2,0,1]=4 3 B11R0.3 CCCCCCCCCCCN D88318 [1,0,0,0,0,0|2,0,1]=4 4 B11R0.3 CCCCCCCCCCCO C14193 [1,0,0,0,0,0|2,0,1]=4 5 B11R0.3 CCCCCCCCNCCN 20292 [1,0,0,0,0,0|3,0,0]=4 6 B11R0.3 CCCCCCCC\C=C\C=O A11393 [1,0,0,0,0,0|2,0,1]=4 7 B11R0.3 CCNCCCCCCNCC D89829 [1,0,0,0,0,0|2,0,1]=4 8 B11R0.4 C=COC(=O)CCCCCCC D84790 [1,0,0,0,0,0|0,0,2]=3 9 B11R0.4 CC=CC(=O)OCCCCCC D95666 [1,0,0,0,0,0|2,0,1]=4 10 B11R0.4 CCCCCCOC(=O)COC D81462 [1,0,0,0,0,0|3,0,0]=4 11 B11R0.4 CCOC(=O)CCCCCCBr F11933 [1,0,0,0,0,0|1,0,0]=2 12 B11R0.4 CCOC(=O)CCCCCCN 34353 [1,0,0,0,0,0|1,0,0]=2 13 B11R0.40 CCCCCCC#CC(=O)OC D91742 [1,0,0,0,0,0|0,0,2]=3 14 B11R0.40 CCCCCCCCC(=O)OC D91668 [1,0,0,0,0,0|0,0,0]=1 15 B11R0.40 CCCCCCCC[C@@H](O)CC D92752 [1,0,0,0,0,0|0,0,2]=3 16 B11R0.40 CCCCCCCC[C@H](O)CO D90105 [1,0,0,0,0,0|1,0,2]=4 17 B11R0.40 CCCCCC\C=C\C(=O)OC D70493 [1,0,0,0,0,0|0,0,2]=3 18 B13R0.2 CCCCCCCCCC(=O)OCCl D93248 [0,1,0,0,0,0|1,0,0]=2 19 B13R0.2 CCCCCCCCOC(=O)CC#N 78316 [0,1,0,0,0,0|2,0,1]=4 20 B13R0.2 CCCCCCCCOC(=O)CCC D95731 [0,1,0,0,0,0|1,0,0]=2 21 B13R0.2 CCOC(=O)CCCCCCCCBr T70716 [0,1,0,0,0,0|0,0,0]=1 22 B13R0.367 CCOC(=O)CCCC[C@H](Cl)CCCl O11809 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.6 CCCCCC[C@H]1CCCC(=O)O1 D70227 [0,0,0,1,0,0|2,0,0]=3 24 B13R1.42 CCOC(=O)CCC1CCCCC1 A10912 [0,0,0,1,0,0|0,0,0]=1 25 B13R1.42 CCOC(=O)CCN1CCNCC1 F15164 [0,0,0,1,0,0|2,0,0]=3 26 B13R1.279 NC1CCCCCCCCCCC1 F16394 [0,0,0,1,0,0|2,0,1]=4 27 B13R1.279 O=C1CCCCCCCCCCC1 D97449 [0,0,0,1,0,0|1,0,0]=2 28 B13R1.279 OC1CCCCCCCCCCC1 A10314 [0,0,0,1,0,0|1,0,2]=4 29 B13R1.463 CCOC(=O)[C@@H]1CCCCCC1=O FD9024 [0,0,0,1,0,0|1,0,1]=3 30 B13R1.463 CCOC(=O)[C@@H]1CCNCCC1=O W10048 [0,0,0,1,0,0|2,0,1]=4 31 B13R1.1575 CCOC(=O)C=C1CCCCCC1 20663 [0,0,0,1,0,0|0,0,2]=3 32 B10R0.71 CCCCCCCCCCI D95272 [2,0,0,0,0,0|1,0,1]=4 33 B10R0.71 CCCCCCCCCCN C93407 [2,0,0,0,0,0|1,0,1]=4 34 B10R0.71 CCCCCCCCCCS D94658 [2,0,0,0,0,0|1,0,1]=4 35 B10R0.1 CCOC(=O)CCCCC=O N10652 [2,0,0,0,0,0|1,0,1]=4 36 B10R0.1 CCOC(=O)CCCCCBr 73728 [2,0,0,0,0,0|1,0,0]=3 37 B10R0.1 CCOC(=O)CCCCCN V10012 [2,0,0,0,0,0|1,0,0]=3 38 B10R0.1 CCOC(=O)CCCCCO A11137 [2,0,0,0,0,0|1,0,0]=3 39 B10R0.1 CCOC(=O)COCCCCl AC8364 [2,0,0,0,0,0|2,0,0]=4 40 B10R0.74 CCCCCC#CC(=O)OC D70492 [2,0,0,0,0,0|0,0,2]=4 41 B10R0.74 CCCCCCCC(=O)NN 23135 [2,0,0,0,0,0|2,0,0]=4 42 B10R0.74 CCCCCCCC(=O)NO 35665 [2,0,0,0,0,0|2,0,0]=4 43 B10R0.74 CCCCCCCC(=O)NO D89270 [2,0,0,0,0,0|2,0,0]=4 44 B10R0.74 COC(=O)CCCCCCBr F11980 [2,0,0,0,0,0|1,0,0]=3 45 B10R0.74 COC(=O)CCCCCCN 67874 [2,0,0,0,0,0|1,0,0]=3 46 B10R0.4 C=CCCCCCCC(=O)O I11998 [2,0,0,0,0,0|0,0,2]=4 47 B10R0.4 CCCCCCCCB(O)O 33153 [2,0,0,0,0,0|1,0,1]=4 48 B10R0.4 CCCCCCCCC(=O)Cl D91690 [2,0,0,0,0,0|1,0,0]=3 49 B10R0.4 CCCCCCCCC(=O)[O-] D91669 [2,0,0,0,0,0|0,0,1]=3 50 B10R0.4 CCCCCCCCC(C)=O D89897 [2,0,0,0,0,0|0,0,0]=2 51 B10R0.4 CCCCCCCOC(=O)Cl 62102 [2,0,0,0,0,0|2,0,0]=4 52 B10R0.4 NCCCCCCCC(=O)O 52148 [2,0,0,0,0,0|1,0,0]=3 53 B10R0.4 O=C(O)CCCCCCCBr C10414 [2,0,0,0,0,0|1,0,0]=3 54 B10R0.4 O=CCCCCCCC(=O)O D80547 [2,0,0,0,0,0|1,0,1]=4 55 B12R0.5 CCCCCCCCCCCCI S12219 [1,1,0,0,0,0|1,0,1]=4 56 B12R0.5 CCCCCCCCCCCCN D89752 [1,1,0,0,0,0|1,0,1]=4 57 B12R0.5 CCCCCCNCCCCCC D77803 [1,1,0,0,0,0|1,0,1]=4 58 B12R0.5 CCCCCCSCCCCCC D90851 [1,1,0,0,0,0|1,0,1]=4 59 B12R0.234 CCCCCCCCCC[C@H](C)O D90139 [1,1,0,0,0,0|1,0,1]=4 60 B12R0.4 CCCCCCCC(=O)CC(C)C H10895 [1,1,0,0,0,0|1,0,0]=3 61 B12R0.114 CCCCCC[C@H](Br)C(=O)OCC D70580 [1,1,0,0,0,0|0,0,0]=2 62 B12R0.114 CCOC(=O)C(=O)CCCCCCl AC2328 [1,1,0,0,0,0|1,0,1]=4 63 B12R0.239 CCCCC[C@H](C)OC(=O)CCC D93438 [1,1,0,0,0,0|2,0,0]=4 64 B12R0.277 CCOC(=O)CCCCCC(=O)O H11366 [1,1,0,0,0,0|1,0,1]=4 65 B12R0.285 CCOC(=O)CCCC(=O)OCC AC7843 [1,1,0,0,0,0|1,0,1]=4 66 B12R0.57 CCCCCCCCC(OC)OC D97662 [1,1,0,0,0,0|0,0,2]=4 67 B12R0.183 COC(=O)CCCCCC(=O)OC S12124 [1,1,0,0,0,0|1,0,1]=4 68 B12R0.184 COC(=O)CCCCCCC(=O)O 35897 [1,1,0,0,0,0|1,0,1]=4 69 B12R0.184 COC(=O)CCCCCOC(C)=O D88424 [1,1,0,0,0,0|1,0,1]=4 70 B14R0.1 CCOC(=O)CCCCCC(=O)OCC D92071 [0,2,0,0,0,0|0,0,1]=3 71 B14R0.393 CCCCCCCCCCC(=O)OCC 78222 [0,2,0,0,0,0|0,0,0]=2 72 B14R0.393 CCOC(=O)CCCCCCCCCBr T71050 [0,2,0,0,0,0|0,0,0]=2 73 B14R0.179 CCCCCCCOC(=O)CCCCC D81374 [0,2,0,0,0,0|2,0,0]=4 74 B14R0.94 CC(C)(C)OC(=O)NCCCCCCBr 56208 [0,2,0,0,0,0|2,0,0]=4 75 B14R0.94 CC(C)(C)OC(=O)NCCCCCCCl D84394 [0,2,0,0,0,0|2,0,0]=4 76 B14R0.94 CC(C)(C)OC(=O)NCCCCCCN 22890 [0,2,0,0,0,0|2,0,0]=4 77 B14R0.94 CC(C)(C)OC(=O)NCCCCCCO 20655 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.550 C1=CCCCCCCCCCC1 D89251 [1,0,0,1,0,0|1,0,0]=3 79 B12R1.550 C1CCCCCCCCCCC1 D89269 [1,0,0,1,0,0|1,0,1]=4 80 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 AC2158 [1,0,0,1,0,0|2,0,0]=4 81 B12R1.32 CCCC(=O)OC1CCCCC1 D88681 [1,0,0,1,0,0|2,0,0]=4 82 B12R1.32 CCOC(=O)CC1CCNCC1 60917 [1,0,0,1,0,0|1,0,0]=3 83 B12R1.32 CCOC(=O)CC1CCNCC1 69550 [1,0,0,1,0,0|1,0,0]=3 84 B12R1.32 CCOC(=O)CC1CCOCC1 50745 [1,0,0,1,0,0|1,0,0]=3 85 B12R1.32 CCOC(=O)CN1CCCCC1 AC2282 [1,0,0,1,0,0|1,0,0]=3 86 B12R1.32 CCOC(=O)CN1CCNCC1 60925 [1,0,0,1,0,0|2,0,0]=4 87 B12R1.32 CCOC(=O)CN1CCOCC1 30940 [1,0,0,1,0,0|2,0,0]=4 88 B12R1.32 CCOC(=O)C[C@H]1CCCCN1 30366 [1,0,0,1,0,0|1,0,0]=3 89 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 37951 [1,0,0,1,0,0|1,0,0]=3 90 B12R1.308 CCOC(=O)[C@@H]1CCCCC1=O 83355 [1,0,0,1,0,0|1,0,1]=4 91 B12R1.308 CCOC(=O)[C@@H]1CCCCN1C 39381 [1,0,0,1,0,0|1,0,0]=3 92 B12R1.318 CCOC(=O)C[C@H]1CCCC1=O 29472 [1,0,0,1,0,0|1,0,1]=4 93 B12R1.1 CCCCCC1CCC(=O)CC1 F16593 [1,0,0,1,0,0|0,0,0]=2 94 B12R1.1 CCCCCC1CCC(O)CC1 D71237 [1,0,0,1,0,0|0,0,2]=4 95 B12R1.7 CCCCCC[C@H]1CCC(=O)O1 D70097 [1,0,0,1,0,0|1,0,0]=3 96 B12R1.27 COC(=O)CCN1CCOCC1 VT1309 [1,0,0,1,0,0|2,0,0]=4 97 B12R1.27 O=C(CCl)NCC1CCCCC1 D93436 [1,0,0,1,0,0|2,0,0]=4 98 B12R1.365 COC(=O)[C@@H]1CCCCCC1=O 63241 [1,0,0,1,0,0|1,0,1]=4 99 B12R1.477 COC(=O)CCNC1CCCC1 24505 [1,0,0,1,0,0|1,0,0]=3 100 B14R1.26 CCCCCCC[C@H]1CCCC(=O)O1 D70226 [0,1,0,1,0,0|1,0,0]=3 101 B14R1.156 C=CCOC(=O)CCC1CCCCC1 D70161 [0,1,0,1,0,0|0,0,1]=3 102 B14R1.29 CCOC(=O)CC(=O)C1CCCCC1 AB7174 [0,1,0,1,0,0|0,0,1]=3 103 B14R2.9904 CCOC(=O)[C@H]1NC[C@@H]2CCC[C@H]12 D77456 [0,0,0,2,0,0|1,0,0]=3