0 B10R0.4 CCCCCCCCB(O)O O4860 [0,0,0,0,0,0|1,0,1]=2 1 B10R0.4 CCCCCCCCC(C)=O D53335 [0,0,0,0,0,0|1,0,0]=1 2 B10R0.4 CCCCCC\C=C\B(O)O O4840 [0,0,0,0,0,0|1,0,3]=4 3 B10R0.4 NCCCCCCCC(=O)O A69217 [0,0,0,0,0,0|1,0,0]=1 4 B10R0.4 NCCOCCOCC(=O)O A41596 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.4 NCCOCCOCC(=O)O A43505 [0,0,0,0,0,0|3,0,0]=3 6 B10R0.4 O=C(O)CCCCCCCBr B47140 [0,0,0,0,0,0|1,0,0]=1 7 B10R0.4 O=C(O)COCCOCCCl C61801 [0,0,0,0,0,0|3,0,0]=3 8 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O A1945 [0,0,0,0,0,0|3,0,0]=3 9 B9R0.2 CC(=O)OCCCCCBr B43861 [1,0,0,0,0,0|3,0,0]=4 10 B9R0.2 CCCCCCCB(O)O H43957 [1,0,0,0,0,0|1,0,1]=3 11 B9R0.2 NCCCCCCC(=O)O A46516 [1,0,0,0,0,0|1,0,0]=2 12 B9R0.2 NCCCCCCC(=O)O A67452 [1,0,0,0,0,0|1,0,0]=2 13 B9R0.2 O=C(O)CCCCCCBr B43862 [1,0,0,0,0,0|1,0,0]=2 14 B9R0.2 O=C(O)CCCCCCO H36659 [1,0,0,0,0,0|1,0,0]=2 15 B9R0.2 [N-]=[N+]=NCCCCC(=O)O A1942 [1,0,0,0,0,0|3,0,0]=4 16 B9R0.45 BrCCCCCCCCBr D60579 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.45 C#CCCCCCCCO N50499 [1,0,0,0,0,0|0,0,3]=4 18 B9R0.45 C=CCCCCCCCCl C50527 [1,0,0,0,0,0|2,0,0]=3 19 B9R0.45 CCCCCCCCC[Mg+] N31713 [1,0,0,0,0,0|1,0,1]=3 20 B9R0.45 CCCCCCCCNC M50621 [1,0,0,0,0,0|2,0,0]=3 21 B9R0.45 CCCCCCCN=[N+]=[N-] A1944 [1,0,0,0,0,0|3,0,0]=4 22 B9R0.45 CCCCCCCNCC E50620 [1,0,0,0,0,0|2,0,1]=4 23 B9R0.45 OCCCCCCCCBr B47189 [1,0,0,0,0,0|1,0,1]=3 24 B9R0.45 OCCCCCCCCCl C47190 [1,0,0,0,0,0|1,0,1]=3 25 B9R0.45 OCCCCCCCCO X39448 [1,0,0,0,0,0|1,0,1]=3 26 B11R0.30 CC(=O)CCCCCCC(C)=O D53269 [0,1,0,0,0,0|1,0,1]=3 27 B11R0.40 CCCCCCC=CC(=O)OC M39622 [0,1,0,0,0,0|0,0,2]=3 28 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O A66071 [0,1,0,0,0,0|0,0,2]=3 29 B11R0.42 C=CCCCCC[C@H](N)C(=O)O A50531 [0,1,0,0,0,0|0,0,2]=3 30 B11R0.46 CCCCC[C@H](C)CCC(=O)O M53337 [0,1,0,0,0,0|0,0,0]=1 31 B11R0.111 COC(=O)CCCCCC(=O)O M6367 [0,1,0,0,0,0|1,0,1]=3 32 B11R0.148 NCCCCCCCCC(=O)O A50593 [0,1,0,0,0,0|0,0,0]=1 33 B11R0.148 O=C(O)CCCCCCCCBr B38107 [0,1,0,0,0,0|0,0,0]=1 34 B11R0.148 O=C(O)CCCCCCCCO H68316 [0,1,0,0,0,0|0,0,0]=1 35 B11R0.148 O=C(O)CCOCCOCCBr B43867 [0,1,0,0,0,0|2,0,0]=3 36 B11R0.159 CCCCCCCCS(=O)(=O)[O-] S68161 [0,1,0,0,0,0|1,0,1]=3 37 B11R1.91 O=C(O)CCC1CCCCC1 C39553 [0,0,0,1,0,0|0,0,0]=1 38 B11R1.91 O=C(O)CCC1CCNCC1 P60724 [0,0,0,1,0,0|1,0,0]=2 39 B11R1.91 O=C(O)CCN1CCOCC1 M43855 [0,0,0,1,0,0|2,0,0]=3 40 B11R1.91 O=C(O)\C=C\C1CCCCC1 C9422 [0,0,0,1,0,0|0,0,2]=3 41 B11R1.91 O=C([O-])CCN1CCOCC1 L43798 [0,0,0,1,0,0|2,0,1]=4 42 B8R0.4 BrCCCCCCCBr D43869 [2,0,0,0,0,0|2,0,0]=4 43 B8R0.4 C#CCCCCCCO O5669 [2,0,0,0,0,0|0,0,2]=4 44 B8R0.4 C=CCCCCCCCl C47108 [2,0,0,0,0,0|1,0,1]=4 45 B8R0.4 CCCCCCCNC M47212 [2,0,0,0,0,0|1,0,1]=4 46 B8R0.4 CCOCCOCCO E60752 [2,0,0,0,0,0|2,0,0]=4 47 B8R0.4 COCCCCCCBr B43941 [2,0,0,0,0,0|2,0,0]=4 48 B8R0.4 OCCCCCCCBr B43940 [2,0,0,0,0,0|1,0,0]=3 49 B8R0.4 OCCCNCCCO A37173 [2,0,0,0,0,0|2,0,0]=4 50 B8R0.7 C#CCCCCC(=O)O H43713 [2,0,0,0,0,0|0,0,2]=4 51 B8R0.7 C=CCCCCC(=O)O H63383 [2,0,0,0,0,0|0,0,2]=4 52 B8R0.7 CCCCCCB(O)O H41623 [2,0,0,0,0,0|1,0,1]=4 53 B8R0.7 CCCCCC[C@@H](C)O X47207 [2,0,0,0,0,0|1,0,1]=4 54 B8R0.7 COCCOCC(=O)O M37948 [2,0,0,0,0,0|2,0,0]=4 55 B8R0.7 NCCOCCC(=O)O A40415 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.7 O=C(O)CCCCCBr B67880 [2,0,0,0,0,0|1,0,0]=3 57 B8R0.7 O=C(O)CCCCCCl C41527 [2,0,0,0,0,0|1,0,0]=3 58 B8R0.7 O=C(O)CCOCCBr B41274 [2,0,0,0,0,0|2,0,0]=4 59 B8R0.7 O=C([O-])CCCCCO P41406 [2,0,0,0,0,0|1,0,1]=4 60 B10R0.3 CCOC(=O)CCCC(=O)O E43824 [1,1,0,0,0,0|1,0,1]=4 61 B10R0.74 CCCCCCCC(=O)NO X67416 [1,1,0,0,0,0|0,0,0]=2 62 B10R0.74 COC(=O)CCCCCCBr M47141 [1,1,0,0,0,0|1,0,0]=3 63 B10R0.74 COC(=O)CCCCCCN M49584 [1,1,0,0,0,0|1,0,0]=3 64 B10R0.75 CCCCCC[C@H](N)C(=O)O A37358 [1,1,0,0,0,0|0,0,0]=2 65 B10R0.71 BrCCCCCCCCCBr D50565 [1,1,0,0,0,0|1,0,1]=4 66 B10R0.71 C=CCCCCCCCCBr B53284 [1,1,0,0,0,0|1,0,0]=3 67 B10R0.71 CCCCCCCCN=[N+]=[N-] A1810 [1,1,0,0,0,0|2,0,0]=4 68 B10R0.71 ClCCCCCCCCCCl D50566 [1,1,0,0,0,0|1,0,1]=4 69 B10R0.71 OCCCCCCCCCBr B50608 [1,1,0,0,0,0|0,0,1]=3 70 B10R0.71 OCCOCCCCCCCl C61799 [1,1,0,0,0,0|1,0,1]=4 71 B12R0.184 COC(=O)CCCCCCC(=O)O M50518 [0,2,0,0,0,0|0,0,1]=3 72 B12R0.184 COC(=O)CCNCCCN(C)C M50612 [0,2,0,0,0,0|2,0,0]=4 73 B12R0.1 CCOC(=O)CCCCCCCBr E53317 [0,2,0,0,0,0|1,0,0]=3 74 B12R0.183 COC(=O)CCCCCC(=O)OC D31456 [0,2,0,0,0,0|1,0,1]=4 75 B12R0.248 CCCCCCCCCC(=O)OC M55143 [0,2,0,0,0,0|0,0,0]=2 76 B12R0.251 CCCCCCCC[C@H](N)C(=O)O A53348 [0,2,0,0,0,0|0,0,0]=2 77 B12R0.277 CCOC(=O)CCCCCC(=O)O E50517 [0,2,0,0,0,0|0,0,1]=3 78 B12R0.234 CCCCCCCCCCB(O)O D53367 [0,2,0,0,0,0|1,0,1]=4 79 B12R0.234 COCCOCCOCCC(=O)O M47163 [0,2,0,0,0,0|1,0,0]=3 80 B12R0.234 NCCCCCCCCCC(=O)O A53349 [0,2,0,0,0,0|0,0,0]=2 81 B12R0.234 O=C(O)CCCCCCCCCBr B53316 [0,2,0,0,0,0|0,0,0]=2 82 B10R1.10 CCC[C@H]1CC(=O)CCN1 P49563 [1,0,0,1,0,0|2,0,0]=4 83 B10R1.18 NC(=O)CC1CCNCC1 P13834 [1,0,0,1,0,0|2,0,0]=4 84 B10R1.18 O=C(O)CC1CCCCC1 C69214 [1,0,0,1,0,0|0,0,0]=2 85 B10R1.18 O=C(O)CC1CCNCC1 P7877 [1,0,0,1,0,0|1,0,0]=3 86 B10R1.18 O=C(O)CC1CCOCC1 T0118 [1,0,0,1,0,0|1,0,0]=3 87 B10R1.18 O=C(O)CN1CCOCC1 M41512 [1,0,0,1,0,0|2,0,0]=4 88 B10R1.18 O=C(O)CN1CCOCC1 M43451 [1,0,0,1,0,0|2,0,0]=4 89 B10R1.18 O=C(O)C[C@H]1CCCCO1 T37652 [1,0,0,1,0,0|1,0,0]=3 90 B10R1.18 O=C(O)C[C@H]1CCCNC1 P10342 [1,0,0,1,0,0|1,0,0]=3 91 B10R1.18 O=C(O)C[C@H]1CCCNC1 P46485 [1,0,0,1,0,0|1,0,0]=3 92 B10R1.18 O=C(O)C[C@H]1CNCCO1 M43454 [1,0,0,1,0,0|2,0,0]=4 93 B10R1.18 O=C(O)C[C@H]1COCCN1 M13099 [1,0,0,1,0,0|2,0,0]=4 94 B10R1.18 O=C(O)C[C@H]1COCCN1 M43452 [1,0,0,1,0,0|2,0,0]=4 95 B10R1.18 O=C(O)C[C@H]1COCCO1 D11968 [1,0,0,1,0,0|2,0,0]=4 96 B10R1.18 OB(O)CC1CCCCC1 C43936 [1,0,0,1,0,0|1,0,1]=4 97 B10R1.61 CC1NCCCC1C(=O)O M46488 [1,0,0,1,0,0|1,0,0]=3 98 B10R1.61 CN1CCCC[C@@H]1C(=O)O M23602 [1,0,0,1,0,0|1,0,0]=3 99 B10R1.61 CN1CCCC[C@H]1C(=O)O M23603 [1,0,0,1,0,0|1,0,0]=3 100 B10R1.61 CN1CCCC[C@H]1C(=O)O M46486 [1,0,0,1,0,0|1,0,0]=3 101 B10R1.61 C[C@@H]1OCCN[C@H]1C(=O)O M43457 [1,0,0,1,0,0|2,0,0]=4 102 B10R1.66 O=C(O)CCC1CCCC1 C69098 [1,0,0,1,0,0|0,0,0]=2 103 B10R1.66 O=C(O)CCC1OCCO1 D36694 [1,0,0,1,0,0|2,0,0]=4 104 B10R1.66 O=C(O)CCN1CCCC1 P43845 [1,0,0,1,0,0|1,0,0]=3 105 B10R1.78 O=C1CCCCCCCN1 A62814 [1,0,0,1,0,0|1,0,0]=3 106 B10R1.86 CCCN1CC[C@H]1C(=O)O P29785 [1,0,0,1,0,0|1,0,0]=3 107 B10R1.86 O=C(O)[C@@H]1CCN1CCF A30114 [1,0,0,1,0,0|2,0,0]=4 108 B10R1.348 NC(=O)C1CCCCCC1 C47114 [1,0,0,1,0,0|1,0,0]=3 109 B10R1.348 O=C(O)C1CCC=CCC1 C47016 [1,0,0,1,0,0|0,0,2]=4 110 B10R1.348 O=C(O)[C@H]1CCCNCC1 H1656 [1,0,0,1,0,0|1,0,0]=3 111 B10R1.17 OCCCC1CCNCC1 P13257 [1,0,0,1,0,0|1,0,1]=4 112 B10R1.17 OCCCN1CCCCC1 P16239 [1,0,0,1,0,0|1,0,1]=4 113 B10R1.20 OC[C@@H]1CCCC[C@H]1CO C47157 [1,0,0,1,0,0|1,0,1]=4 114 B10R1.20 OC[C@H]1CCCC[C@@H]1CO C47158 [1,0,0,1,0,0|1,0,1]=4 115 B10R1.29 CCCCN1CCCC1=O B68886 [1,0,0,1,0,0|1,0,0]=3 116 B10R1.85 OCCN1CCCCCC1 A47168 [1,0,0,1,0,0|1,0,1]=4 117 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O C39439 [0,1,0,1,0,0|1,0,1]=4 118 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O C47035 [0,1,0,1,0,0|1,0,1]=4 119 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O C47036 [0,1,0,1,0,0|1,0,1]=4 120 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)O I37614 [0,1,0,1,0,0|1,0,0]=3 121 B12R1.1 CCCCCC1CCC(=O)CC1 P55088 [0,1,0,1,0,0|1,0,0]=3 122 B12R1.1 CCCCCC1CCC(O)CC1 P55142 [0,1,0,1,0,0|1,0,1]=4 123 B12R1.27 COC(=O)CO[C@@H]1CCCCO1 M47106 [0,1,0,1,0,0|2,0,0]=4 124 B12R1.365 COC(=O)[C@@H]1CCCCCC1=O M50440 [0,1,0,1,0,0|1,0,1]=4 125 B12R1.371 COC(=O)CC1CNCCC1C M30168 [0,1,0,1,0,0|1,0,0]=3 126 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O A50537 [0,1,0,1,0,0|0,0,0]=2 127 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O A67496 [0,1,0,1,0,0|0,0,0]=2 128 B12R1.43 N[C@@H](CC1CCOCC1)C(=O)O A49574 [0,1,0,1,0,0|1,0,0]=3 129 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O A50534 [0,1,0,1,0,0|0,0,0]=2 130 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O A63264 [0,1,0,1,0,0|0,0,0]=2 131 B12R1.2197 N[C@@H](C(=O)O)C1CCCCCC1 A29716 [0,1,0,1,0,0|0,0,0]=2 132 B12R1.2197 N[C@H](C(=O)O)C1CCCCCC1 A29666 [0,1,0,1,0,0|0,0,0]=2 133 B12R1.368 COC(=O)[C@H]1CCC[C@H]1C(=O)O M65600 [0,1,0,1,0,0|1,0,1]=4 134 B12R1.386 N#CCCN1CCC[C@H]1C(=O)O C61363 [0,1,0,1,0,0|1,0,1]=4 135 B12R2.24 O=C1CCC2CCCCC2O1 X50435 [0,0,0,2,0,0|0,0,0]=2 136 B12R2.375 CO[C@H]1OC[C@@H]2OC(=O)C[C@H]12 M43739 [0,0,0,2,0,0|2,0,0]=4 137 B12R2.2918 O=C1CC2(CCCCC2)CN1 A63277 [0,0,0,2,0,0|2,0,0]=4 138 B12R2.2918 O=C1CCC2(CCNCC2)N1 D19305 [0,0,0,2,0,0|2,0,0]=4 139 B12R2.2918 O=C1CCC2(CCNCC2)O1 X64174 [0,0,0,2,0,0|1,0,0]=3 140 B12R2.2918 O=C1CC[C@@]2(CCCNC2)O1 X64505 [0,0,0,2,0,0|1,0,0]=3 141 B12R2.1365 O=C(O)C1C2CCC1CNC2 A14496 [0,0,0,2,0,0|1,0,0]=3 142 B12R2.1365 O=C(O)C1C2CCC1CNC2 A17909 [0,0,0,2,0,0|1,0,0]=3 143 B12R2.1387 O=C(O)[C@H]1CC[C@@H]2CC[C@H]1N2 A14818 [0,0,0,2,0,0|1,0,0]=3 144 B12R2.1387 O=C(O)[C@H]1CC[C@@H]2CC[C@H]1N2 A27654 [0,0,0,2,0,0|1,0,0]=3 145 B12R2.1392 CC(=O)[C@H]1CC2CCC1CC2 B53207 [0,0,0,2,0,0|1,0,0]=3 146 B12R2.1392 O=C(O)[C@@H]1CC2CCN1CC2 A60211 [0,0,0,2,0,0|1,0,0]=3 147 B12R2.1392 O=C(O)[C@@H]1CC2CCN1CC2 Q64369 [0,0,0,2,0,0|1,0,0]=3 148 B12R2.1392 O=C(O)[C@H]1CC2CCN1CC2 Q64370 [0,0,0,2,0,0|1,0,0]=3 149 B12R2.1392 O=C(O)[C@H]1NC2CCC1CC2 A11880 [0,0,0,2,0,0|1,0,0]=3 150 B12R2.1392 O=C(O)[C@H]1NC2CCC1CC2 A14773 [0,0,0,2,0,0|1,0,0]=3 151 B12R2.298 O=C(O)C[C@H]1CNCC12CC2 A59913 [0,0,0,2,0,0|1,0,0]=3 152 B12R2.1362 O=C(O)[C@H]1NC[C@@H]2CCC[C@H]12 X49553 [0,0,0,2,0,0|1,0,0]=3 153 B12R2.1661 O=C(O)CN1CC2CCC1C2 A47060 [0,0,0,2,0,0|1,0,0]=3 154 B12R2.1154 CN1C2CCCC1CC(=O)C2 M10689 [0,0,0,2,0,0|2,0,0]=4 155 B12R2.252 O=C(O)C1CC2CNCC2C1 H13229 [0,0,0,2,0,0|1,0,0]=3 156 B12R2.252 O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1 X61897 [0,0,0,2,0,0|1,0,0]=3 157 B12R2.250 O=C(O)[C@@H]1CC12CCOCC2 X59727 [0,0,0,2,0,0|1,0,0]=3 158 B12R2.250 O=C(O)[C@H]1CC12CCOCC2 X11552 [0,0,0,2,0,0|1,0,0]=3 159 B12R2.250 O=C(O)[C@H]1CC12CCOCC2 X59728 [0,0,0,2,0,0|1,0,0]=3 160 B12R2.229 O=C1CCNC[C@@H]2CCCN12 X13267 [0,0,0,2,0,0|2,0,0]=4 161 B12R2.3066 O=C(O)C12CCCN1CCC2 T7896 [0,0,0,2,0,0|1,0,0]=3