0 B11R0.3 BrCCCCCCCCCCBr D39629 [0,0,0,0,0,0|2,0,0]=2 1 B11R0.3 C=CCCCCCCCCCBr B55096 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.3 C=CCCCCCCCCCC D56327 [0,0,0,0,0,0|1,0,1]=2 3 B11R0.3 C=CCCCCCCCCCO U55141 [0,0,0,0,0,0|0,0,2]=2 4 B11R0.3 CCCCCCCCCCCO U67607 [0,0,0,0,0,0|0,0,0]=0 5 B11R0.3 ClCCCCCCCCCCCl D39630 [0,0,0,0,0,0|2,0,0]=2 6 B11R0.3 OCCCCCCCCCCBr B53359 [0,0,0,0,0,0|1,0,0]=1 7 B10R0.71 BrCCCCCCCCCBr D50565 [1,0,0,0,0,0|2,0,0]=3 8 B10R0.71 C=CCCCCCCCCBr B53284 [1,0,0,0,0,0|1,0,2]=4 9 B10R0.71 CCCCCCCCN=[N+]=[N-] A1810 [1,0,0,0,0,0|3,0,0]=4 10 B10R0.71 ClCCCCCCCCCCl D50566 [1,0,0,0,0,0|2,0,0]=3 11 B10R0.71 OCCCCCCCCCBr B50608 [1,0,0,0,0,0|1,0,0]=2 12 B10R0.71 OCCOCCCCCCCl C61799 [1,0,0,0,0,0|2,0,0]=3 13 B12R0.1 CCOC(=O)CCCCCCCBr E53317 [0,1,0,0,0,0|2,0,1]=4 14 B12R0.5 C#CCCCCCCCCCCO D56304 [0,1,0,0,0,0|0,0,1]=2 15 B12R0.5 CCCCCCCCCCCCO D64921 [0,1,0,0,0,0|0,0,0]=1 16 B12R0.5 CCCCCCCCCCN=[N+]=[N-] A1900 [0,1,0,0,0,0|2,0,0]=3 17 B12R0.5 CCOCCCCCCCCCO E64231 [0,1,0,0,0,0|0,0,0]=1 18 B12R0.5 NCCOCCOCCOCCO A47215 [0,1,0,0,0,0|3,0,0]=4 19 B12R0.5 OCCCCCCCCCCCBr B55158 [0,1,0,0,0,0|0,0,0]=1 20 B12R0.5 OCCCCCCCCCCCO U55159 [0,1,0,0,0,0|0,0,0]=1 21 B12R0.234 CCCCCCCCCCB(O)O D53367 [0,1,0,0,0,0|1,0,0]=2 22 B12R0.234 NCCCCCCCCCC(=O)O A53349 [0,1,0,0,0,0|1,0,1]=3 23 B12R0.234 O=C(O)CCCCCCCCCBr B53316 [0,1,0,0,0,0|1,0,1]=3 24 B12R0.248 CCCCCCCCCC(=O)OC M55143 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.8 BrCCCCO[C@@H]1CCCCO1 B50561 [0,0,0,1,0,0|2,0,0]=3 26 B12R1.8 OCCOCCN1CCNCC1 P39446 [0,0,0,1,0,0|3,0,0]=4 27 B9R0.45 BrCCCCCCCCBr D60579 [2,0,0,0,0,0|2,0,0]=4 28 B9R0.45 C#CCCCCCCCO N50499 [2,0,0,0,0,0|0,0,2]=4 29 B9R0.45 CCCCCCCCC[Mg+] N31713 [2,0,0,0,0,0|1,0,0]=3 30 B9R0.45 CCCCCCCCNC M50621 [2,0,0,0,0,0|1,0,0]=3 31 B9R0.45 CCCCCCCNCC E50620 [2,0,0,0,0,0|1,0,0]=3 32 B9R0.45 OCCCCCCCCBr B47189 [2,0,0,0,0,0|1,0,0]=3 33 B9R0.45 OCCCCCCCCCl C47190 [2,0,0,0,0,0|1,0,0]=3 34 B9R0.45 OCCCCCCCCO X39448 [2,0,0,0,0,0|1,0,0]=3 35 B11R0.148 NCCCCCCCCC(=O)O A50593 [1,1,0,0,0,0|1,0,1]=4 36 B11R0.148 O=C(O)CCCCCCCCBr B38107 [1,1,0,0,0,0|1,0,1]=4 37 B11R0.148 O=C(O)CCCCCCCCO H68316 [1,1,0,0,0,0|1,0,1]=4 38 B13R0.54 O=C(O)CCCCCCCCCCBr B39661 [0,2,0,0,0,0|0,0,1]=3 39 B13R0.54 O=C(O)CCCCCCCCCCS M31896 [0,2,0,0,0,0|0,0,1]=3 40 B13R0.147 CCCCCCCCCCC(=O)OC M56343 [0,2,0,0,0,0|0,0,1]=3 41 B13R0.336 BrCCCCCCCCCCCCBr D56328 [0,2,0,0,0,0|1,0,0]=3 42 B13R0.336 COCCOCCOCCOCCO T50617 [0,2,0,0,0,0|2,0,0]=4 43 B13R0.336 NCCCCCCCCCCCCO A56354 [0,2,0,0,0,0|0,0,0]=2 44 B13R0.336 OCCCCCCCCCCCCBr B56351 [0,2,0,0,0,0|0,0,0]=2 45 B13R0.336 OCCCCCOCCCCCCCl C62131 [0,2,0,0,0,0|0,0,0]=2 46 B13R0.336 OCCOCCOCCCCCCCl C62124 [0,2,0,0,0,0|1,0,0]=3 47 B11R1.4 NCCCCCN1CCCC1 P52261 [1,0,0,1,0,0|2,0,0]=4 48 B11R1.4 OCCCCO[C@@H]1CCCO1 T47162 [1,0,0,1,0,0|2,0,0]=4 49 B11R1.28 BrCCCO[C@@H]1CCCCO1 B47142 [1,0,0,1,0,0|2,0,0]=4 50 B11R1.28 CCCCCN1CCNCC1 P52260 [1,0,0,1,0,0|2,0,0]=4 51 B11R1.28 OCCCCN1CCOCC1 M47175 [1,0,0,1,0,0|2,0,0]=4 52 B13R1.6 CCCCCC[C@H]1CCCC(=O)O1 H55090 [0,1,0,1,0,0|0,0,1]=3 53 B13R2.3 C1CCC(C2CCCCN2)NC1 P53319 [0,0,0,2,0,0|2,0,0]=4 54 B13R2.57 OCC1CCC2CNCCN2C1 X14000 [0,0,0,2,0,0|2,0,0]=4