0 B12R1.7 CCCCCCC1CCC(=O)O1 CS-W017696 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.4 OCCCCOC1CCCO1 CS-0158350 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.27 CCCCCC1CCC(=O)O1 CS-W017997 [1,0,0,0,0,0|0,0,0]=1 3 B13R1.27 CCCCCCCC1CCC(=O)O1 CS-W016994 [0,1,0,0,0,0|0,0,0]=1 4 B11R0.40 CCCCCCCCC(=O)O[Na] CS-0185612 [0,0,1,0,0,0|3,0,0]=4 5 B11R0.40 CCCCCC\C=C\C(=O)OC CS-0152302 [0,0,1,0,0,0|2,0,1]=4 6 B11R0.40 COC(=O)CCCCCCCBr CS-0129057 [0,0,1,0,0,0|3,0,0]=4 7 B11R0.40 COC(=O)CCCCCCCN CS-0129029 [0,0,1,0,0,0|3,0,0]=4 8 B11R0.148 C#CCCCCCCCC(=O)O CS-0143674 [0,0,1,0,0,0|0,0,2]=3 9 B11R0.148 CCCCCCCCCC(=O)O CS-W016025 [0,0,1,0,0,0|0,0,0]=1 10 B11R0.148 CCCCCCCCCC(C)=O CS-W017685 [0,0,1,0,0,0|1,0,0]=2 11 B11R0.148 CCCCCCCCOC(C)=O CS-0008806 [0,0,1,0,0,0|2,0,0]=3 12 B11R0.148 CCCCCCC\C=C\C(=O)O CS-0534 [0,0,1,0,0,0|0,0,2]=3 13 B11R0.148 COCCOCCOCC(=O)O CS-0046435 [0,0,1,0,0,0|3,0,0]=4 14 B11R0.148 NCCCCCCCCC(=O)O CS-0158369 [0,0,1,0,0,0|1,0,0]=2 15 B11R0.148 NCCOCCOCCC(=O)O CS-W020908 [0,0,1,0,0,0|3,0,0]=4 16 B11R0.148 O=C(O)CCCCCCCCBr CS-W007587 [0,0,1,0,0,0|1,0,0]=2 17 B11R0.148 O=C(O)CCCCCCCCO CS-W010763 [0,0,1,0,0,0|1,0,0]=2 18 B11R0.148 O=C(O)CCOCCOCCBr CS-0114615 [0,0,1,0,0,0|3,0,0]=4 19 B11R0.148 O=C(O)CCOCCOCCO CS-0086325 [0,0,1,0,0,0|3,0,0]=4 20 B11R0.148 O=C(O)CCOCCOCCS CS-0148621 [0,0,1,0,0,0|3,0,0]=4 21 B10R0.1 CCCCCCC(O)CCC CS-0320716 [1,0,1,0,0,0|0,0,1]=3 22 B10R0.4 C#CCCCCCCC(=O)O CS-0131147 [1,0,1,0,0,0|0,0,2]=4 23 B10R0.4 CC(=O)SCCCCCCN CS-0437379 [1,0,1,0,0,0|1,1,0]=4 24 B10R0.4 CCCCCCCCB(O)O CS-W000909 [1,0,1,0,0,0|1,0,1]=4 25 B10R0.4 CCCCCCCCC(=O)O CS-0076036 [1,0,1,0,0,0|0,0,0]=2 26 B10R0.4 CCCCOCCOC(C)=O CS-0198135 [1,0,1,0,0,0|1,0,0]=3 27 B10R0.4 NCCCCCCCC(=O)O CS-0661652 [1,0,1,0,0,0|1,0,0]=3 28 B10R0.4 NCCCCCCCC(=O)O CS-W019464 [1,0,1,0,0,0|1,0,0]=3 29 B10R0.4 O=C(O)CCCCCCCBr CS-W007700 [1,0,1,0,0,0|1,0,0]=3 30 B10R0.4 O=C(O)CCCCCCCO CS-0187285 [1,0,1,0,0,0|1,0,0]=3 31 B10R0.71 C#CCCCCCCCCC CS-0206842 [1,0,1,0,0,0|1,0,1]=4 32 B10R0.71 C(C=O)=CCCCCCCC CS-W016267 [1,0,1,0,0,0|0,0,2]=4 33 B10R0.71 C=CCCCCCCCCBr CS-W013154 [1,0,1,0,0,0|2,0,0]=4 34 B10R0.71 C=CCCCCCCCCO CS-0158001 [1,0,1,0,0,0|2,0,0]=4 35 B10R0.71 CCCCCCCCCCCl CS-W017386 [1,0,1,0,0,0|1,0,1]=4 36 B10R0.71 CCCCCCCCCCI CS-0196431 [1,0,1,0,0,0|1,0,1]=4 37 B10R0.71 CCCCCCCCCCN CS-W016217 [1,0,1,0,0,0|1,0,1]=4 38 B10R0.71 CCCCCCCCCCO CS-0015994 [1,0,1,0,0,0|0,0,1]=3 39 B10R0.71 NCCCCCCCCCO CS-0374982 [1,0,1,0,0,0|1,0,1]=4 40 B10R0.71 OCCCCCCCCCBr CS-B0284 [1,0,1,0,0,0|1,0,1]=4 41 B10R0.71 OCCCCCCCCCCl CS-0158372 [1,0,1,0,0,0|1,0,1]=4 42 B10R0.71 OCCCCCCCCCO CS-0008364 [1,0,1,0,0,0|1,0,1]=4 43 B10R0.74 C=CC(=O)OCCCCCC CS-0167366 [1,0,1,0,0,0|0,0,2]=4 44 B10R0.74 CCCCCCCC(=O)NN CS-W002067 [1,0,1,0,0,0|2,0,0]=4 45 B10R0.74 CCCCCCCC(=O)NO CS-W001857 [1,0,1,0,0,0|2,0,0]=4 46 B10R0.74 CCCCCCCC(=O)OC CS-0128781 [1,0,1,0,0,0|1,0,0]=3 47 B10R0.74 CCCCCCCC(=O)O[Na] CS-W016055 [1,0,1,0,0,0|2,0,0]=4 48 B10R0.74 COC(=O)CCCCCCBr CS-W004688 [1,0,1,0,0,0|2,0,0]=4 49 B10R0.74 COC(=O)CCCCCCN CS-W004807 [1,0,1,0,0,0|2,0,0]=4 50 B10R0.74 COC(=O)CCCCCCO CS-0059718 [1,0,1,0,0,0|2,0,0]=4 51 B10R1.16 CCCCC1CCC(=O)O1 CS-W018278 [2,0,0,0,0,0|0,0,0]=2 52 B12R0.1 CCCCCCCCC(=O)OCC CS-0107002 [0,1,1,0,0,0|1,0,0]=3 53 B12R0.1 CCOC(=O)CCCCCCCBr CS-D1735 [0,1,1,0,0,0|2,0,0]=4 54 B12R0.248 CCCCCCCCCC(=O)OC CS-W016888 [0,1,1,0,0,0|2,0,0]=4 55 B12R0.248 CCCCCCCCOC(=O)CN CS-W013080 [0,1,1,0,0,0|1,0,0]=3 56 B12R0.248 COC(=O)CCCCCCCCBr CS-0129031 [0,1,1,0,0,0|2,0,0]=4 57 B12R0.248 COC(=O)CCCCCCCCO CS-W016785 [0,1,1,0,0,0|2,0,0]=4 58 B12R0.251 C=C(C)C(=O)OCCCCCCCl CS-0569237 [0,1,1,0,0,0|1,0,1]=4 59 B12R0.111 CCCCCCC(CO)CCCC CS-0152304 [0,1,1,0,0,0|1,0,1]=4 60 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] CS-0148395 [0,1,1,0,0,0|1,0,1]=4 61 B12R0.234 C#CCCCCCCCCC(=O)O CS-0160163 [0,1,1,0,0,0|0,0,1]=3 62 B12R0.234 C=CCCCCCCCCC(=O)O CS-4383 [0,1,1,0,0,0|0,0,1]=3 63 B12R0.234 CCCCCCCCCCC(=O)O CS-W004282 [0,1,1,0,0,0|0,0,0]=2 64 B12R0.234 CCCCCCCCOCC(=O)O CS-0147297 [0,1,1,0,0,0|0,0,0]=2 65 B12R0.234 NCCCCCCCCCC(=O)O CS-0158386 [0,1,1,0,0,0|0,0,0]=2 66 B12R0.234 NCCOCCOCCCC(=O)O CS-0114418 [0,1,1,0,0,0|2,0,0]=4 67 B12R0.234 O=C(O)CCCCCCCCCBr CS-W014097 [0,1,1,0,0,0|0,0,0]=2 68 B12R0.234 O=C(O)CCCCCCCCCO CS-D1134 [0,1,1,0,0,0|0,0,0]=2 69 B12R0.234 O=C(O)\C=C\CCCCCCCO CS-0016772 [0,1,1,0,0,0|0,0,2]=4 70 B12R0.234 O=C(O)\C=C\CCCCCCCO CS-0648816 [0,1,1,0,0,0|0,0,2]=4 71 B12R0.268 O=C(O)CCCCCCCC(=O)O CS-4316 [0,1,1,0,0,0|1,0,1]=4 72 B12R0.277 CCOC(=O)CCCCCC(=O)O CS-W016803 [0,1,1,0,0,0|1,0,1]=4 73 B14R1.26 CCCCCCCC1CCCC(=O)O1 CS-W010531 [0,1,0,0,0,1|0,0,0]=2 74 B14R1.14 CCCCCCCC1CCC(=O)CC1 CS-0162601 [0,1,0,0,0,1|1,0,0]=3 75 B14R1.122 CCCCCCCCC1CCC(=O)O1 CS-0320646 [0,2,0,0,0,0|0,0,0]=2 76 B12R1.1 CCCCCC1CCC(=O)CC1 CS-W013233 [0,0,1,1,0,0|1,0,0]=3 77 B12R1.27 O=C(CCl)NCC1CCCCC1 CS-0145402 [0,0,1,1,0,0|2,0,0]=4 78 B12R1.28 CCCCCC1CCCC(=O)O1 CS-W017695 [0,0,1,1,0,0|0,0,0]=2 79 B12R1.252 O=C(O)CCCC1CCCCC1 CS-0155329 [0,0,1,1,0,0|0,0,0]=2 80 B12R1.252 O=C(O)CCCC1CCNCC1 CS-W015257 [0,0,1,1,0,0|1,0,0]=3 81 B12R1.1343 O=C(O)CCN1CCCCCC1 CS-0445324 [0,0,1,1,0,0|1,0,0]=3 82 B12R2.375 CO[C@H]1OC[C@@H]2OC(=O)C[C@H]12 CS-0150981 [1,0,0,1,0,0|2,0,0]=4 83 B12R2.2918 O=C1CC2(CCCCC2)CN1 CS-0096868 [1,0,0,1,0,0|2,0,0]=4 84 B12R2.2918 O=C1CCC2(CCNCC2)N1 CS-0052717 [1,0,0,1,0,0|2,0,0]=4 85 B12R2.2918 O=C1CCC2(CCNCC2)O1 CS-B0200 [1,0,0,1,0,0|1,0,0]=3 86 B12R2.2918 O=C1COC2(CCCCC2)O1 CS-0317774 [1,0,0,1,0,0|1,0,0]=3 87 B10R0.75 CCCCCCC(N)C(=O)O CS-W016177 [0,0,1,0,1,0|2,0,0]=4 88 B10R0.75 CCCCCCC(O)C(=O)O CS-W016160 [0,0,1,0,1,0|2,0,0]=4 89 B10R0.75 CCCCCC[C@@H](N)C(=O)O CS-0152326 [0,0,1,0,1,0|2,0,0]=4 90 B10R0.75 [C@H](N)(CCCCCC)C(=O)O CS-W006364 [0,0,1,0,1,0|2,0,0]=4