0 B12R0.234 C#CCCCCCCCCC(=O)O CS-0160163 [0,0,0,0,0,0|0,0,4]=4 1 B12R0.234 C=CCCCCCCCCC(=O)O CS-4383 [0,0,0,0,0,0|0,0,4]=4 2 B12R0.234 CCCCCCCCCCC(=O)O CS-W004282 [0,0,0,0,0,0|0,0,2]=2 3 B12R0.234 CCCCCCCCOCC(=O)O CS-0147297 [0,0,0,0,0,0|1,0,1]=2 4 B12R0.234 NCCCCCCCCCC(=O)O CS-0158386 [0,0,0,0,0,0|1,0,2]=3 5 B12R0.234 O=C(O)CCCCCCCCCBr CS-W014097 [0,0,0,0,0,0|1,0,2]=3 6 B12R0.234 O=C(O)CCCCCCCCCO CS-D1134 [0,0,0,0,0,0|1,0,2]=3 7 B12R0.234 O=C(O)\C=C\CCCCCCCO CS-0016772 [0,0,0,0,0,0|1,0,0]=1 8 B12R0.234 O=C(O)\C=C\CCCCCCCO CS-0648816 [0,0,0,0,0,0|1,0,0]=1 9 B11R0.3 CCCCCCCCCCCO CS-W004292 [1,0,0,0,0,0|0,0,3]=4 10 B11R0.148 C#CCCCCCCCC(=O)O CS-0143674 [1,0,0,0,0,0|0,0,3]=4 11 B11R0.148 CCCCCCCCCC(=O)O CS-W016025 [1,0,0,0,0,0|0,0,1]=2 12 B11R0.148 CCCCCCCCCC(C)=O CS-W017685 [1,0,0,0,0,0|1,0,1]=3 13 B11R0.148 CCCCCCCCOC(C)=O CS-0008806 [1,0,0,0,0,0|2,0,0]=3 14 B11R0.148 CCCCCCC\C=C\C(=O)O CS-0534 [1,0,0,0,0,0|0,0,0]=1 15 B11R0.148 NCCCCCCCCC(=O)O CS-0158369 [1,0,0,0,0,0|1,0,1]=3 16 B11R0.148 O=C(O)CCCCCCCCBr CS-W007587 [1,0,0,0,0,0|1,0,1]=3 17 B11R0.148 O=C(O)CCCCCCCCO CS-W010763 [1,0,0,0,0,0|1,0,1]=3 18 B13R0.54 C=CCCCCCCCCCC(=O)O CS-0361307 [0,1,0,0,0,0|0,0,3]=4 19 B13R0.54 CCCCCCCCCCCC(=O)O CS-0015078 [0,1,0,0,0,0|0,0,2]=3 20 B13R0.54 CCCCCCCCCCCC(=O)[O-] CS-0198226 [0,1,0,0,0,0|0,0,3]=4 21 B13R0.54 CCCCCCCCCCCC(C)=O CS-W010527 [0,1,0,0,0,0|1,0,2]=4 22 B13R0.54 CCCCCCCCCCCC(N)=O CS-0206349 [0,1,0,0,0,0|1,0,2]=4 23 B13R0.54 CCCCCCCCCCNC(C)=O CS-0901356 [0,1,0,0,0,0|1,0,2]=4 24 B13R0.54 CCCCCCCCC\C=C\C(=O)O CS-0152270 [0,1,0,0,0,0|0,0,0]=1 25 B13R0.54 CCCCCC\C=C/CCCC(=O)O CS-0144620 [0,1,0,0,0,0|0,0,3]=4 26 B13R0.54 NCCCCCCCCCCC(=O)O CS-W015547 [0,1,0,0,0,0|0,0,2]=3 27 B13R0.54 O=C(O)CCCCCCCCCCS CS-W014785 [0,1,0,0,0,0|0,0,2]=3 28 B13R0.147 CCCCCCCCCCC(=O)OC CS-W004285 [0,1,0,0,0,0|0,0,2]=3 29 B13R0.147 COC(=O)CCCCCCCCCBr CS-0129053 [0,1,0,0,0,0|1,0,2]=4 30 B13R0.154 CCCCCCCC(=O)NCC(=O)O CS-0152288 [0,1,0,0,0,0|1,0,2]=4 31 B13R1.27 CCCCCCCC1CCC(=O)O1 CS-W016994 [0,0,0,1,0,0|0,0,2]=3 32 B13R1.279 O=C1CCCCCCCCCCC1 CS-W017092 [0,0,0,1,0,0|1,0,2]=4 33 B10R0.71 C(C=O)=CCCCCCCC CS-W016267 [2,0,0,0,0,0|0,0,0]=2 34 B10R0.71 C=C=CCCCCCCCC CS-1014355 [2,0,0,0,0,0|0,0,1]=3 35 B10R0.71 C=CCCCCCCCCBr CS-W013154 [2,0,0,0,0,0|1,0,1]=4 36 B10R0.71 C=CCCCCCCCCO CS-0158001 [2,0,0,0,0,0|1,0,1]=4 37 B10R0.71 CCCCCCCCCCO CS-0015994 [2,0,0,0,0,0|0,0,2]=4 38 B10R0.71 CCCCC\C=C\C=C\C=O CS-W014343 [2,0,0,0,0,0|0,0,2]=4 39 B10R0.4 C#CCCCCCCC(=O)O CS-0131147 [2,0,0,0,0,0|0,0,2]=4 40 B10R0.4 CCCCCCCCB(O)O CS-W000909 [2,0,0,0,0,0|1,0,1]=4 41 B10R0.4 CCCCCCCCC(=O)O CS-0076036 [2,0,0,0,0,0|0,0,0]=2 42 B10R0.4 NCCCCCCCC(=O)O CS-0661652 [2,0,0,0,0,0|1,0,0]=3 43 B10R0.4 NCCCCCCCC(=O)O CS-W019464 [2,0,0,0,0,0|1,0,0]=3 44 B10R0.4 O=C(O)CCCCCCCBr CS-W007700 [2,0,0,0,0,0|1,0,0]=3 45 B10R0.4 O=C(O)CCCCCCCO CS-0187285 [2,0,0,0,0,0|1,0,0]=3 46 B12R0.251 CCCCCCCCC(O)C(=O)O CS-0064248 [1,1,0,0,0,0|0,0,1]=3 47 B12R0.251 CCCCCCCC[C@H](N)C(=O)O CS-0182631 [1,1,0,0,0,0|0,0,1]=3 48 B14R0.337 CCCCCCCCCCCC(=O)OC CS-W004286 [0,2,0,0,0,0|0,0,2]=4 49 B14R0.337 CCCCCCCCCCCC(=O)O[K] CS-0198015 [0,2,0,0,0,0|0,0,2]=4 50 B14R0.337 COC(=O)CCCCCCCCCCBr CS-0109940 [0,2,0,0,0,0|0,0,2]=4 51 B14R0.337 COC(=O)CCCCCCCCCCN CS-0129049 [0,2,0,0,0,0|0,0,2]=4 52 B14R0.340 CCCCCCCCCCC(N)C(=O)O CS-0152253 [0,2,0,0,0,0|0,0,2]=4 53 B14R0.394 C=CCCCCCCCCCCC(=O)O CS-0644145 [0,2,0,0,0,0|0,0,2]=4 54 B14R0.394 CCCCCCCCCCCCC(=O)O CS-D1510 [0,2,0,0,0,0|0,0,2]=4 55 B14R0.394 O=C(O)CCCCCCCCCCCBr CS-0158383 [0,2,0,0,0,0|0,0,2]=4 56 B14R0.393 CCCCCCCCCCC(=O)OCC CS-W014923 [0,2,0,0,0,0|0,0,2]=4 57 B12R1.7 CCCCCCC1CCC(=O)O1 CS-W017696 [1,0,0,1,0,0|0,0,1]=3 58 B12R1.28 CCCCCC1CCCC(=O)O1 CS-W017695 [1,0,0,1,0,0|0,0,1]=3 59 B12R1.252 O=C(O)CCCC1CCCCC1 CS-0155329 [1,0,0,1,0,0|0,0,1]=3 60 B12R1.252 O=C(O)CCCC1CCNCC1 CS-W015257 [1,0,0,1,0,0|1,0,1]=4 61 B12R1.252 O=C(O)\C=C\CN1CCCCC1 CS-0120306 [1,0,0,1,0,0|1,0,0]=3 62 B12R1.1343 O=C(O)CCN1CCCCCC1 CS-0445324 [1,0,0,1,0,0|1,0,1]=4 63 B14R1.26 CCCCCCCC1CCCC(=O)O1 CS-W010531 [0,1,0,1,0,0|0,0,2]=4 64 B14R1.122 CCCCCCCCC1CCC(=O)O1 CS-0320646 [0,1,0,1,0,0|0,0,2]=4 65 B14R2.781 O=C(O)C1CCC2CCCCC2C1 CS-0224240 [0,0,0,2,0,0|0,0,2]=4