0 B10R0.71 BrCCCCCCCCCBr D50565 [0,0,0,0,0,0|2,0,1]=3 1 B10R0.71 C=CCCCCCCCCBr B53284 [0,0,0,0,0,0|2,0,0]=2 2 B10R0.71 CCCCCCCCN=[N+]=[N-] A1810 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.71 CCCCC\C=C\C=C\C=O D68694 [0,0,0,0,0,0|0,0,4]=4 4 B10R0.71 ClCCCCCCCCCCl D50566 [0,0,0,0,0,0|2,0,1]=3 5 B10R0.71 OCCCCCCCCCBr B50608 [0,0,0,0,0,0|1,0,2]=3 6 B10R0.71 OCCOCCCCCCCl C61799 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.45 BrCCCCCCCCBr D60579 [1,0,0,0,0,0|2,0,0]=3 8 B9R0.45 C#CCCCCCCCO N50499 [1,0,0,0,0,0|0,0,3]=4 9 B9R0.45 C=CCCCCCCCCl C50527 [1,0,0,0,0,0|1,0,1]=3 10 B9R0.45 CCCCCCCCC[Mg+] N31713 [1,0,0,0,0,0|1,0,0]=2 11 B9R0.45 CCCCCCCCNC M50621 [1,0,0,0,0,0|1,0,1]=3 12 B9R0.45 CCCCCCCN=[N+]=[N-] A1944 [1,0,0,0,0,0|3,0,0]=4 13 B9R0.45 CCCCCCCNCC E50620 [1,0,0,0,0,0|1,0,1]=3 14 B9R0.45 OCCCCCCCCBr B47189 [1,0,0,0,0,0|1,0,1]=3 15 B9R0.45 OCCCCCCCCCl C47190 [1,0,0,0,0,0|1,0,1]=3 16 B9R0.45 OCCCCCCCCO X39448 [1,0,0,0,0,0|1,0,1]=3 17 B11R0.3 BrCCCCCCCCCCBr D39629 [0,1,0,0,0,0|1,0,1]=3 18 B11R0.3 C=CCCCCCCCCCBr B55096 [0,1,0,0,0,0|1,0,0]=2 19 B11R0.3 C=CCCCCCCCCCC D56327 [0,1,0,0,0,0|1,0,0]=2 20 B11R0.3 C=CCCCCCCCCCO U55141 [0,1,0,0,0,0|1,0,0]=2 21 B11R0.3 CCCCCCCCCCCO U67607 [0,1,0,0,0,0|0,0,2]=3 22 B11R0.3 ClCCCCCCCCCCCl D39630 [0,1,0,0,0,0|1,0,1]=3 23 B11R0.3 OCCCCCCCCCCBr B53359 [0,1,0,0,0,0|0,0,2]=3 24 B11R0.148 NCCCCCCCCC(=O)O A50593 [0,1,0,0,0,0|1,0,0]=2 25 B11R0.148 O=C(O)CCCCCCCCBr B38107 [0,1,0,0,0,0|1,0,0]=2 26 B11R0.148 O=C(O)CCCCCCCCO H68316 [0,1,0,0,0,0|1,0,0]=2 27 B11R0.148 O=C(O)CCOCCOCCBr B43867 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.4 NCCCCCN1CCCC1 P52261 [0,0,0,1,0,0|2,0,1]=4 29 B11R1.28 [N-]=[N+]=NCCC1CCCCC1 A3467 [0,0,0,1,0,0|3,0,0]=4 30 B8R0.4 BrCCCCCCCBr D43869 [2,0,0,0,0,0|2,0,0]=4 31 B8R0.4 C=CCCCCCCCl C47108 [2,0,0,0,0,0|1,0,1]=4 32 B8R0.4 CCCCCCCNC M47212 [2,0,0,0,0,0|1,0,0]=3 33 B8R0.4 COCCCCCCBr B43941 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.4 OCCCCCCCBr B43940 [2,0,0,0,0,0|1,0,1]=4 35 B10R0.4 CCCCCCCCB(O)O O4860 [1,1,0,0,0,0|1,0,1]=4 36 B10R0.4 CCCCCCCCC(C)=O D53335 [1,1,0,0,0,0|0,0,0]=2 37 B10R0.4 NCCCCCCCC(=O)O A69217 [1,1,0,0,0,0|1,0,0]=3 38 B10R0.4 O=C(O)CCCCCCCBr B47140 [1,1,0,0,0,0|1,0,0]=3 39 B12R0.5 C#CCCCCCCCCCCO D56304 [0,2,0,0,0,0|0,0,2]=4 40 B12R0.5 CCCCCCCCCCCCO D64921 [0,2,0,0,0,0|0,0,2]=4 41 B12R0.5 CCCCCCCCCCN=[N+]=[N-] A1900 [0,2,0,0,0,0|1,0,1]=4 42 B12R0.5 CCOCCCCCCCCCO E64231 [0,2,0,0,0,0|0,0,2]=4 43 B12R0.5 OCCCCCCCCCCCBr B55158 [0,2,0,0,0,0|0,0,2]=4 44 B12R0.5 OCCCCCCCCCCCO U55159 [0,2,0,0,0,0|0,0,2]=4 45 B12R0.234 CCCCCCCCCCB(O)O D53367 [0,2,0,0,0,0|0,0,2]=4 46 B12R0.234 COCCOCCOCCC(=O)O M47163 [0,2,0,0,0,0|2,0,0]=4 47 B12R0.234 NCCCCCCCCCC(=O)O A53349 [0,2,0,0,0,0|0,0,0]=2 48 B12R0.234 O=C(O)CCCCCCCCCBr B53316 [0,2,0,0,0,0|0,0,0]=2 49 B12R0.248 CCCCCCCCCC(=O)OC M55143 [0,2,0,0,0,0|0,0,0]=2 50 B12R0.277 CCOC(=O)CCCCCC(=O)O E50517 [0,2,0,0,0,0|1,0,1]=4 51 B12R0.184 COC(=O)CCCCCCC(=O)O M50518 [0,2,0,0,0,0|1,0,1]=4 52 B12R0.251 CCCCCCCC[C@H](N)C(=O)O A53348 [0,2,0,0,0,0|0,0,0]=2 53 B12R0.111 CCCCCC[C@@H](CBr)CCCC B56346 [0,2,0,0,0,0|1,0,1]=4 54 B10R1.17 BrCCOC1CCCCC1 B47143 [1,0,0,1,0,0|2,0,0]=4 55 B10R1.17 CCCCC1CCNCC1 B0923 [1,0,0,1,0,0|1,0,1]=4 56 B10R1.17 COCC[C@H]1CCCCN1 M49583 [1,0,0,1,0,0|2,0,0]=4 57 B10R1.17 ClCCCN1CCCCC1 C47153 [1,0,0,1,0,0|2,0,0]=4 58 B10R1.17 OCCCC1CCNCC1 P13257 [1,0,0,1,0,0|1,0,1]=4 59 B10R1.17 OCCCN1CCCCC1 P16239 [1,0,0,1,0,0|1,0,1]=4 60 B10R1.20 OC[C@@H]1CCCC[C@H]1CO C47157 [1,0,0,1,0,0|1,0,1]=4 61 B10R1.20 OC[C@H]1CCCC[C@@H]1CO C47158 [1,0,0,1,0,0|1,0,1]=4 62 B10R1.29 CCCCN1CCCC1=O B68886 [1,0,0,1,0,0|1,0,0]=3 63 B10R1.78 O=C1CCCCCCCN1 A62814 [1,0,0,1,0,0|1,0,0]=3 64 B10R1.85 ClCCN1CCCCCC1 C47152 [1,0,0,1,0,0|2,0,0]=4 65 B10R1.85 ClCCN1CCCCCC1 C65016 [1,0,0,1,0,0|2,0,0]=4 66 B10R1.85 OCCN1CCCCCC1 A47168 [1,0,0,1,0,0|1,0,1]=4 67 B12R1.18 N#CCCN1CCCCCC1=O X50400 [0,1,0,1,0,0|1,0,1]=4 68 B12R1.18 NCCCN1CCCCCC1=O A50569 [0,1,0,1,0,0|1,0,0]=3 69 B12R1.308 CCOC(=O)[C@@H]1CCCCC1=O E50439 [0,1,0,1,0,0|1,0,1]=4 70 B12R1.318 CCOC(=O)C[C@H]1CCCC1=O E50438 [0,1,0,1,0,0|1,0,1]=4 71 B12R1.1 CCCCCC1CCC(O)CC1 P55142 [0,1,0,1,0,0|1,0,1]=4 72 B12R1.365 COC(=O)[C@@H]1CCCCCC1=O M50440 [0,1,0,1,0,0|1,0,1]=4 73 B12R2.7 O=C1NCCC[C@@]12CCCN2 D69824 [0,0,0,2,0,0|2,0,0]=4 74 B12R2.229 O=C1CCNC[C@@H]2CCCN12 X13267 [0,0,0,2,0,0|2,0,0]=4 75 B12R2.41 C1CCC2=NCCCN2CC1 X60626 [0,0,0,2,0,0|2,0,0]=4 76 B12R2.24 O=C1CCC2CCCCC2O1 X50435 [0,0,0,2,0,0|1,0,0]=3 77 B12R2.8 O=C1NCCC12CCCCC2 A50465 [0,0,0,2,0,0|1,0,0]=3 78 B12R2.8 O=C1NCCC12CCNCC2 D31553 [0,0,0,2,0,0|2,0,0]=4 79 B12R2.8 O=C1NCC[C@@]12CCCNC2 D17070 [0,0,0,2,0,0|2,0,0]=4 80 B12R2.8 O=C1OCCC12CCNCC2 X49550 [0,0,0,2,0,0|2,0,0]=4 81 B12R2.8 O=C1OCCC12CCNCC2 X64274 [0,0,0,2,0,0|2,0,0]=4 82 B12R2.18 CN1C[C@@H]2CCNC[C@@H]2C1=O M7281 [0,0,0,2,0,0|2,0,0]=4 83 B12R2.18 CN1C[C@H]2CCNC[C@H]2C1=O M14210 [0,0,0,2,0,0|2,0,0]=4 84 B12R2.96 O=C1CCCC12CCCC2=O S60246 [0,0,0,2,0,0|1,0,1]=4