0 B10R0.71 BrCCCCCCCCCBr D50565 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.71 C=CCCCCCCCCBr B53284 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.71 CCCCCCCCN=[N+]=[N-] A1810 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.71 COCCOCCOCCN M43956 [0,0,0,0,0,0|4,0,0]=4 4 B10R0.71 ClCCCCCCCCCCl D50566 [0,0,0,0,0,0|2,0,0]=2 5 B10R0.71 OCCCCCCCCCBr B50608 [0,0,0,0,0,0|1,0,0]=1 6 B10R0.71 OCCOCCCCCCCl C61799 [0,0,0,0,0,0|2,0,0]=2 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|0,0,2]=3 9 B9R0.45 C=CCCCCCCCCl C50527 [1,0,0,0,0,0|1,0,2]=4 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|1,0,0]=2 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|1,0,0]=2 14 B9R0.45 NCCOCCOCCO A36621 [1,0,0,0,0,0|3,0,0]=4 15 B9R0.45 OCCCCCCC#CI I1888 [1,0,0,0,0,0|1,0,2]=4 16 B9R0.45 OCCCCCCCCBr B47189 [1,0,0,0,0,0|1,0,0]=2 17 B9R0.45 OCCCCCCCCCl C47190 [1,0,0,0,0,0|1,0,0]=2 18 B9R0.45 OCCCCCCCCO X39448 [1,0,0,0,0,0|1,0,0]=2 19 B9R0.45 OCCCSSCCCO D41614 [1,0,0,0,0,0|3,0,0]=4 20 B9R0.45 OCCOCCOCCCl C39206 [1,0,0,0,0,0|3,0,0]=4 21 B11R0.3 BrCCCCCCCCCCBr D39629 [0,1,0,0,0,0|1,0,0]=2 22 B11R0.3 C=CCCCCCCCCCBr B55096 [0,1,0,0,0,0|1,0,1]=3 23 B11R0.3 C=CCCCCCCCCCC D56327 [0,1,0,0,0,0|1,0,0]=2 24 B11R0.3 C=CCCCCCCCCCO U55141 [0,1,0,0,0,0|0,0,1]=2 25 B11R0.3 CCCCCCCCCCCO U67607 [0,1,0,0,0,0|0,0,0]=1 26 B11R0.3 ClCCCCCCCCCCCl D39630 [0,1,0,0,0,0|1,0,0]=2 27 B11R0.3 OCCCCCCCCCCBr B53359 [0,1,0,0,0,0|0,0,0]=1 28 B11R0.4 CCOC(=O)CCCCCCBr E50560 [0,1,0,0,0,0|2,0,1]=4 29 B11R0.4 CCOC(=O)CCCCCCN E52216 [0,1,0,0,0,0|2,0,1]=4 30 B11R0.148 NCCCCCCCCC(=O)O A50593 [0,1,0,0,0,0|1,0,1]=3 31 B11R0.148 O=C(O)CCCCCCCCBr B38107 [0,1,0,0,0,0|1,0,1]=3 32 B11R0.148 O=C(O)CCCCCCCCO H68316 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.4 NCCCCCN1CCCC1 P52261 [0,0,0,1,0,0|2,0,0]=3 34 B11R1.4 OCCCCO[C@@H]1CCCO1 T47162 [0,0,0,1,0,0|2,0,0]=3 35 B11R1.28 BrCCCO[C@@H]1CCCCO1 B47142 [0,0,0,1,0,0|2,0,0]=3 36 B11R1.28 CCCCCN1CCNCC1 P52260 [0,0,0,1,0,0|3,0,0]=4 37 B11R1.28 OCCCCN1CCOCC1 M47175 [0,0,0,1,0,0|2,0,0]=3 38 B11R1.28 [N-]=[N+]=NCCC1CCCCC1 A3467 [0,0,0,1,0,0|3,0,0]=4 39 B8R0.4 BrCCCCCCCBr D43869 [2,0,0,0,0,0|2,0,0]=4 40 B8R0.4 C#CCCCCCCO O5669 [2,0,0,0,0,0|0,0,2]=4 41 B8R0.4 CCCCCCCNC M47212 [2,0,0,0,0,0|1,0,0]=3 42 B8R0.4 CCOCCOCCO E60752 [2,0,0,0,0,0|2,0,0]=4 43 B8R0.4 COCCCCCCBr B43941 [2,0,0,0,0,0|2,0,0]=4 44 B8R0.4 OCCCCCCCBr B43940 [2,0,0,0,0,0|1,0,0]=3 45 B8R0.4 OCCCNCCCO A37173 [2,0,0,0,0,0|2,0,0]=4 46 B10R0.1 CCOC(=O)CCCCCO E47160 [1,1,0,0,0,0|1,0,1]=4 47 B10R0.4 CCCCCCCCB(O)O O4860 [1,1,0,0,0,0|1,0,0]=3 48 B10R0.4 CCCCCCCCC(C)=O D53335 [1,1,0,0,0,0|0,0,1]=3 49 B10R0.4 NCCCCCCCC(=O)O A69217 [1,1,0,0,0,0|1,0,1]=4 50 B10R0.4 O=C(O)CCCCCCCBr B47140 [1,1,0,0,0,0|1,0,1]=4 51 B10R0.74 CCCCCCCC(=O)NO X67416 [1,1,0,0,0,0|1,0,1]=4 52 B10R0.91 CCCCCC(=O)OCCC P50580 [1,1,0,0,0,0|1,0,1]=4 53 B12R0.1 CCOC(=O)CCCCCCCBr E53317 [0,2,0,0,0,0|1,0,1]=4 54 B12R0.5 C#CCCCCCCCCCCO D56304 [0,2,0,0,0,0|0,0,0]=2 55 B12R0.5 CCCCCCCCCCCCO D64921 [0,2,0,0,0,0|0,0,0]=2 56 B12R0.5 CCCCCCCCCCN=[N+]=[N-] A1900 [0,2,0,0,0,0|1,0,0]=3 57 B12R0.5 CCOCCCCCCCCCO E64231 [0,2,0,0,0,0|0,0,0]=2 58 B12R0.5 NCCOCCOCCOCCO A47215 [0,2,0,0,0,0|2,0,0]=4 59 B12R0.5 OCCCCCCCCCCCBr B55158 [0,2,0,0,0,0|0,0,0]=2 60 B12R0.5 OCCCCCCCCCCCO U55159 [0,2,0,0,0,0|0,0,0]=2 61 B12R0.234 CCCCCCCCCCB(O)O D53367 [0,2,0,0,0,0|0,0,0]=2 62 B12R0.234 NCCCCCCCCCC(=O)O A53349 [0,2,0,0,0,0|0,0,1]=3 63 B12R0.234 O=C(O)CCCCCCCCCBr B53316 [0,2,0,0,0,0|0,0,1]=3 64 B12R0.248 CCCCCCCCCC(=O)OC M55143 [0,2,0,0,0,0|0,0,1]=3 65 B12R0.4 CCCCCCCC(=O)CC(C)C M67611 [0,2,0,0,0,0|1,0,1]=4 66 B12R0.251 CCCCCCCC[C@H](N)C(=O)O A53348 [0,2,0,0,0,0|0,0,1]=3 67 B12R0.111 CCCCCC[C@@H](CBr)CCCC B56346 [0,2,0,0,0,0|1,0,0]=3 68 B10R1.17 BrCCOC1CCCCC1 B47143 [1,0,0,1,0,0|2,0,0]=4 69 B10R1.17 BrCCO[C@@H]1CCCCO1 B43864 [1,0,0,1,0,0|2,0,0]=4 70 B10R1.17 CCCCC1CCNCC1 B0923 [1,0,0,1,0,0|1,0,0]=3 71 B10R1.17 CCCCN1CCOCC1 B47167 [1,0,0,1,0,0|2,0,0]=4 72 B10R1.17 COCCC1CCNCC1 M0867 [1,0,0,1,0,0|2,0,0]=4 73 B10R1.17 COCCC1CCNCC1 M11399 [1,0,0,1,0,0|2,0,0]=4 74 B10R1.17 COCC[C@H]1CCCCN1 M49583 [1,0,0,1,0,0|2,0,0]=4 75 B10R1.17 ClCCCN1CCCCC1 C47153 [1,0,0,1,0,0|2,0,0]=4 76 B10R1.17 ClCCO[C@@H]1CCCCO1 C43866 [1,0,0,1,0,0|2,0,0]=4 77 B10R1.17 OCCCC1CCNCC1 P13257 [1,0,0,1,0,0|1,0,0]=3 78 B10R1.17 OCCCN1CCCCC1 P16239 [1,0,0,1,0,0|1,0,0]=3 79 B10R1.17 OCCCN1CCOCC1 H23709 [1,0,0,1,0,0|2,0,0]=4 80 B10R1.20 CNC1CCCCC1NC D47193 [1,0,0,1,0,0|2,0,0]=4 81 B10R1.20 CNC1CCCCC1NC D49589 [1,0,0,1,0,0|2,0,0]=4 82 B10R1.20 CN[C@@H]1CCCC[C@H]1NC D24849 [1,0,0,1,0,0|2,0,0]=4 83 B10R1.20 CN[C@@H]1CCCC[C@H]1NC D24908 [1,0,0,1,0,0|2,0,0]=4 84 B10R1.20 CN[C@@H]1CCCC[C@H]1NC D60931 [1,0,0,1,0,0|2,0,0]=4 85 B10R1.20 CN[C@H]1CCCC[C@@H]1NC D47194 [1,0,0,1,0,0|2,0,0]=4 86 B10R1.20 OC[C@@H]1CCCC[C@H]1CO C47157 [1,0,0,1,0,0|1,0,0]=3 87 B10R1.20 OC[C@H]1CCCC[C@@H]1CO C47158 [1,0,0,1,0,0|1,0,0]=3 88 B10R1.21 ClCCCCC1OCCO1 C43865 [1,0,0,1,0,0|2,0,0]=4 89 B10R1.85 ClCCN1CCCCCC1 C47152 [1,0,0,1,0,0|2,0,0]=4 90 B10R1.85 ClCCN1CCCCCC1 C65016 [1,0,0,1,0,0|2,0,0]=4 91 B10R1.85 OCCN1CCCCCC1 A47168 [1,0,0,1,0,0|1,0,0]=3 92 B12R1.8 BrCCCCO[C@@H]1CCCCO1 B50561 [0,1,0,1,0,0|1,0,0]=3 93 B12R1.8 OCCOCCN1CCNCC1 P39446 [0,1,0,1,0,0|2,0,0]=4 94 B12R1.308 CCOC(=O)C1CCCCC1O E50509 [0,1,0,1,0,0|1,0,1]=4 95 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1O E50512 [0,1,0,1,0,0|1,0,1]=4 96 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1O E50513 [0,1,0,1,0,0|1,0,1]=4 97 B12R1.1 CCCCCC1CCC(=O)CC1 P55088 [0,1,0,1,0,0|1,0,1]=4 98 B12R1.1 CCCCCC1CCC(O)CC1 P55142 [0,1,0,1,0,0|1,0,0]=3 99 B12R2.98 C1CN[C@H](CN2CCCC2)C1 P50568 [0,0,0,2,0,0|2,0,0]=4 100 B12R2.24 O=C1CCC2CCCCC2O1 X50435 [0,0,0,2,0,0|1,0,1]=4 101 B12R2.1081 CN1CCCC2NCCCC21 D15023 [0,0,0,2,0,0|2,0,0]=4 102 B12R2.8 O[C@H]1COCC12CCNCC2 X47121 [0,0,0,2,0,0|2,0,0]=4 103 B12R2.11 NC1CC1OC2CCCCO2 T23434 [0,0,0,2,0,0|2,0,0]=4 104 B12R2.4370 C1CCC2(CCNCC2)OC1 X52200 [0,0,0,2,0,0|1,0,0]=3 105 B12R2.165 OCCC1C2CCC1CNC2 H14492 [0,0,0,2,0,0|1,0,0]=3 106 B12R2.4960 NCCC12CCCN1CCC2 T14029 [0,0,0,2,0,0|2,0,0]=4