0 B11R0.4 CCOC(=O)CCCCCCBr E50560 [0,0,0,0,0,0|1,0,0]=1 1 B11R0.4 CCOC(=O)CCCCCCN E52216 [0,0,0,0,0,0|1,0,0]=1 2 B11R0.4 CCOC(=O)CCCCN=[N+]=[N-] A9113 [0,0,0,0,0,0|3,0,0]=3 3 B11R0.4 CC\C=C/CCOC(=O)CCC H39623 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.1 CCOC(=O)CCCCCBr E39444 [1,0,0,0,0,0|1,0,0]=2 5 B10R0.1 CCOC(=O)CCCCCO E47160 [1,0,0,0,0,0|1,0,0]=2 6 B10R0.1 CCOC(=O)CCCN=[N+]=[N-] E3898 [1,0,0,0,0,0|3,0,0]=4 7 B10R0.1 CCOC(=O)CNCCC#N E46482 [1,0,0,0,0,0|2,0,1]=4 8 B10R0.74 CCCCCCCC(=O)NO X67416 [1,0,0,0,0,0|2,0,0]=3 9 B10R0.74 CC\C=C/CCOC(=O)CC H39554 [1,0,0,0,0,0|1,0,2]=4 10 B10R0.74 COC(=O)CCCCCCBr M47141 [1,0,0,0,0,0|1,0,0]=2 11 B10R0.74 COC(=O)CCCCCCN M49584 [1,0,0,0,0,0|1,0,0]=2 12 B10R0.74 NCC(=O)NCCCCCBr A43903 [1,0,0,0,0,0|3,0,0]=4 13 B12R0.1 CCOC(=O)CCCCCCCBr E53317 [0,1,0,0,0,0|0,0,0]=1 14 B12R0.1 CCOC(=O)CCCCCN=[N+]=[N-] E9808 [0,1,0,0,0,0|2,0,0]=3 15 B12R0.4 CCCCCCCC(=O)CC(C)C M67611 [0,1,0,0,0,0|1,0,0]=2 16 B12R0.114 CCCCCC[C@H](Br)C(=O)OCC E39628 [0,1,0,0,0,0|0,0,0]=1 17 B12R0.114 CCOC(=O)C(=O)CCCCCCl E50480 [0,1,0,0,0,0|1,0,1]=3 18 B12R0.277 CCOC(=O)CCCCCC(=O)O E50517 [0,1,0,0,0,0|1,0,1]=3 19 B12R0.285 CCOC(=O)CNCC(=O)OCC D39443 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.32 CCOC(=O)C=C1CCCNC1 E52195 [0,0,0,1,0,0|1,0,2]=4 21 B12R1.32 CCOC(=O)C=C1CCOCC1 E12043 [0,0,0,1,0,0|1,0,2]=4 22 B12R1.32 CCOC(=O)CC1CCNCC1 E0928 [0,0,0,1,0,0|1,0,0]=2 23 B12R1.32 CCOC(=O)CC1CCNCC1 E24428 [0,0,0,1,0,0|1,0,0]=2 24 B12R1.32 CCOC(=O)CC1CCOCC1 E8052 [0,0,0,1,0,0|1,0,0]=2 25 B12R1.32 CCOC(=O)CN1CCOCC1 E47127 [0,0,0,1,0,0|2,0,0]=3 26 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 E10869 [0,0,0,1,0,0|1,0,0]=2 27 B12R1.32 CCOC(=O)\C=C1\CCCNC1 E52196 [0,0,0,1,0,0|1,0,2]=4 28 B12R1.308 CCOC(=O)C1=C(N)CCCC1 E50468 [0,0,0,1,0,0|1,0,2]=4 29 B12R1.308 CCOC(=O)C1CCCCC1O E50509 [0,0,0,1,0,0|1,0,0]=2 30 B12R1.308 CCOC(=O)[C@@H]1CCCCC1=O E50439 [0,0,0,1,0,0|1,0,1]=3 31 B12R1.308 CCOC(=O)[C@@H]1CCCCN1C E50530 [0,0,0,1,0,0|1,0,0]=2 32 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1O E50512 [0,0,0,1,0,0|1,0,0]=2 33 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1O E50513 [0,0,0,1,0,0|1,0,0]=2 34 B12R1.308 CCOC(=O)[C@@H]1CCCN[C@@H]1C E29500 [0,0,0,1,0,0|1,0,0]=2 35 B12R1.308 CCOC(=O)[C@@H]1CCNCC1=O E49554 [0,0,0,1,0,0|2,0,1]=4 36 B12R1.308 CCOC(=O)[C@@H]1CNCCC1=O E15548 [0,0,0,1,0,0|2,0,1]=4 37 B12R1.308 CCOC(=O)[C@@H]1COCCC1=O E37534 [0,0,0,1,0,0|2,0,1]=4 38 B12R1.308 CCOC(=O)[C@@H]1OCCCC1=O E17657 [0,0,0,1,0,0|2,0,1]=4 39 B12R1.310 CCOC(=O)CCCNC1CC1 E50533 [0,0,0,1,0,0|1,0,0]=2 40 B12R1.318 CCOC(=O)C[C@H]1CCCC1=O E50438 [0,0,0,1,0,0|1,0,1]=3 41 B9R0.5 CCC=CCC(=O)OCC E47083 [2,0,0,0,0,0|0,0,2]=4 42 B9R0.5 CCCC=CC(=O)OCC E47082 [2,0,0,0,0,0|0,0,2]=4 43 B9R0.5 CCOC(=O)CCCCBr E39295 [2,0,0,0,0,0|1,0,0]=3 44 B9R0.5 CCOC(=O)CCCCN E46517 [2,0,0,0,0,0|1,0,0]=3 45 B9R0.5 CCOC(=O)CCC[Zn]I E31894 [2,0,0,0,0,0|2,0,0]=4 46 B9R0.5 CCOC(=O)COCCCl E41531 [2,0,0,0,0,0|2,0,0]=4 47 B9R0.45 CCCCCCCCC[Mg+] N31713 [2,0,0,0,0,0|1,0,1]=4 48 B9R0.45 CCCCCCCCNC M50621 [2,0,0,0,0,0|1,0,1]=4 49 B9R0.45 CCCCCCCNCC E50620 [2,0,0,0,0,0|1,0,0]=3 50 B9R0.46 COC(=O)CCCCCBr M39296 [2,0,0,0,0,0|1,0,0]=3 51 B9R0.46 COC(=O)CCCCCN M67967 [2,0,0,0,0,0|1,0,0]=3 52 B9R0.2 CC(=O)OCCCCCBr B43861 [2,0,0,0,0,0|2,0,0]=4 53 B9R0.2 CCCCCCCB(O)O H43957 [2,0,0,0,0,0|1,0,1]=4 54 B9R0.2 NCCCCCCC(=O)O A46516 [2,0,0,0,0,0|1,0,0]=3 55 B9R0.2 NCCCCCCC(=O)O A67452 [2,0,0,0,0,0|1,0,0]=3 56 B9R0.2 O=C(O)CCCCCCBr B43862 [2,0,0,0,0,0|1,0,0]=3 57 B9R0.2 O=C(O)CCCCCCO H36659 [2,0,0,0,0,0|1,0,0]=3 58 B11R0.3 CCCCCCCCCCCO U67607 [1,1,0,0,0,0|1,0,1]=4 59 B11R0.42 CCCCCCCC(=O)N(C)C D53345 [1,1,0,0,0,0|1,0,0]=3 60 B11R0.111 COC(=O)CCCCCC(=O)O M6367 [1,1,0,0,0,0|1,0,1]=4 61 B13R0.88 CC(C)CCCCCOC(=O)CCS M39662 [0,2,0,0,0,0|2,0,0]=4 62 B13R0.367 CCOC(=O)CCCC[C@H](Cl)CCCl E53275 [0,2,0,0,0,0|0,0,0]=2 63 B13R0.286 CC(C)(C)OC(=O)NCCCCCBr B36978 [0,2,0,0,0,0|2,0,0]=4 64 B13R0.286 CC(C)(C)OC(=O)NCCCCCN B53361 [0,2,0,0,0,0|2,0,0]=4 65 B13R0.286 CC(C)(C)OC(=O)NCCCCCO B53353 [0,2,0,0,0,0|2,0,0]=4 66 B13R0.286 CNCCCCNC(=O)OC(C)(C)C B64309 [0,2,0,0,0,0|2,0,0]=4 67 B13R0.18 CCOC(=O)CC[C@@H](N)C(=O)OCC D61462 [0,2,0,0,0,0|1,0,1]=4 68 B13R0.18 CCOC(=O)CC[C@H](O)C(=O)OCC D50526 [0,2,0,0,0,0|1,0,1]=4 69 B11R1.16 CCOC(=O)C1CCNCC1 E29669 [1,0,0,1,0,0|1,0,0]=3 70 B11R1.16 CCOC(=O)C1CCNCC1 P28285 [1,0,0,1,0,0|1,0,0]=3 71 B11R1.16 CCOC(=O)C1CCOCC1 E47102 [1,0,0,1,0,0|1,0,0]=3 72 B11R1.16 CCOC(=O)C1OCCCO1 D10084 [1,0,0,1,0,0|2,0,0]=4 73 B11R1.16 CCOC(=O)C1SCCCS1 D10076 [1,0,0,1,0,0|2,0,0]=4 74 B11R1.16 CCOC(=O)N1CCCCC1 E47120 [1,0,0,1,0,0|1,0,0]=3 75 B11R1.16 CCOC(=O)N1CCNCC1 E39297 [1,0,0,1,0,0|2,0,0]=4 76 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E47117 [1,0,0,1,0,0|1,0,0]=3 77 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E49565 [1,0,0,1,0,0|1,0,0]=3 78 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E49567 [1,0,0,1,0,0|1,0,0]=3 79 B11R1.16 CCOC(=O)[C@@H]1CCCCO1 E63418 [1,0,0,1,0,0|1,0,0]=3 80 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 D21711 [1,0,0,1,0,0|1,0,0]=3 81 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E1816 [1,0,0,1,0,0|1,0,0]=3 82 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E22645 [1,0,0,1,0,0|1,0,0]=3 83 B11R1.16 CCOC(=O)[C@@H]1CNCCN1 E46602 [1,0,0,1,0,0|2,0,0]=4 84 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 E43856 [1,0,0,1,0,0|2,0,0]=4 85 B11R1.16 CCOC(=O)[C@@H]1COCCN1 E46494 [1,0,0,1,0,0|2,0,0]=4 86 B11R1.16 CCOC(=O)[C@H]1CCCNC1 D25574 [1,0,0,1,0,0|1,0,0]=3 87 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E1843 [1,0,0,1,0,0|1,0,0]=3 88 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E23938 [1,0,0,1,0,0|1,0,0]=3 89 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E39525 [1,0,0,1,0,0|1,0,0]=3 90 B11R1.30 CCOC(=O)C[C@H]1CCCO1 E47100 [1,0,0,1,0,0|1,0,0]=3 91 B11R1.30 CCOC(=O)C[C@H]1CCNC1 E15030 [1,0,0,1,0,0|1,0,0]=3 92 B11R1.112 CCOC(=O)[C@@H]1C[C@@H]1CC#N E29955 [1,0,0,1,0,0|1,0,1]=4 93 B11R1.112 CCOC(=O)[C@@H]1C[C@H]1CC#N E29954 [1,0,0,1,0,0|1,0,1]=4 94 B11R1.199 CCOC(=O)C1CCCC1N E49570 [1,0,0,1,0,0|1,0,0]=3 95 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N E63697 [1,0,0,1,0,0|1,0,0]=3 96 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N E69723 [1,0,0,1,0,0|1,0,0]=3 97 B11R1.25 COC(=O)CC[C@H]1CCNC1 M6967 [1,0,0,1,0,0|1,0,0]=3 98 B11R1.25 COC(=O)CNC1CCCC1 M49568 [1,0,0,1,0,0|1,0,0]=3 99 B11R1.40 COC(=O)CC1CCNCC1 M49566 [1,0,0,1,0,0|1,0,0]=3 100 B11R1.40 COC(=O)CC1CCOCC1 M20436 [1,0,0,1,0,0|1,0,0]=3 101 B11R1.115 COC(=O)[C@@H]1CCN1CCF A30120 [1,0,0,1,0,0|2,0,0]=4 102 B11R1.222 COC(=O)C1CCNCC1F M59820 [1,0,0,1,0,0|2,0,0]=4 103 B11R1.222 COC(=O)C1CNCCC1O M46495 [1,0,0,1,0,0|2,0,0]=4 104 B11R1.222 COC(=O)[C@@H]1CCCCC1=O M23599 [1,0,0,1,0,0|1,0,1]=4 105 B11R1.222 COC(=O)[C@@H]1CNCCN1C M43879 [1,0,0,1,0,0|2,0,0]=4 106 B11R1.222 COC(=O)[C@@H]1COCC[C@@H]1N M32271 [1,0,0,1,0,0|2,0,0]=4 107 B11R1.852 COC(=O)[C@H]1CCCNCC1 M15039 [1,0,0,1,0,0|1,0,0]=3 108 B13R1.6 CCCCCC[C@H]1CCCC(=O)O1 H55090 [0,1,0,1,0,0|1,0,0]=3 109 B13R1.42 CCOC(=O)CO[C@@H]1CCCCO1 E50521 [0,1,0,1,0,0|1,0,0]=3 110 B13R1.463 CCOC(=O)[C@@H]1CCNCCC1=O E52197 [0,1,0,1,0,0|1,0,1]=4 111 B13R1.463 CCOC(=O)[C@@H]1CCSCCC1=O E10055 [0,1,0,1,0,0|1,0,1]=4 112 B13R1.470 CCOC(=O)CC1CCNCC1C E20779 [0,1,0,1,0,0|0,0,0]=2 113 B13R1.348 C[C@H](Cl)OC(=O)OC1CCCCC1 C39552 [0,1,0,1,0,0|1,0,0]=3 114 B13R1.47 CCOC(=O)[C@@H](N)C1CCOCC1 E15546 [0,1,0,1,0,0|1,0,0]=3 115 B13R1.20 CCOC(=O)CC1CCNC(C)C1 X30145 [0,1,0,1,0,0|1,0,0]=3 116 B13R1.33 CCOC(=O)CC(=O)C1CCCC1 E53211 [0,1,0,1,0,0|0,0,1]=3 117 B13R1.33 CCOC(=O)CC(=O)[C@@H]1CCCO1 E50451 [0,1,0,1,0,0|1,0,1]=4 118 B13R1.2570 CCOC(=O)CC1(O)CCCCC1 E53277 [0,1,0,1,0,0|0,0,0]=2 119 B13R1.19 CCOC(=O)CC1CCC(=O)CC1 E24374 [0,1,0,1,0,0|0,0,1]=3 120 B13R1.19 CCOC(=O)C[C@H]1CC[C@H](N)CC1 E25275 [0,1,0,1,0,0|0,0,0]=2 121 B13R1.19 CCOC(=O)C[C@H]1CC[C@H](N)CC1 E53290 [0,1,0,1,0,0|0,0,0]=2 122 B13R1.19 CCOC(=O)C[C@H]1CC[C@H](O)CC1 E67160 [0,1,0,1,0,0|0,0,0]=2 123 B13R1.467 CCOC(=O)[C@@H]1CNC[C@H]1C(F)F E60277 [0,1,0,1,0,0|2,0,0]=4 124 B13R1.1515 CCOC(=O)C1CC1C(=O)OCC C50452 [0,1,0,1,0,0|1,0,1]=4 125 B13R1.1515 CCOC(=O)[C@@H]1C[C@H]1C(=O)OCC D50446 [0,1,0,1,0,0|1,0,1]=4 126 B13R1.1515 CCOC(=O)[C@H]1C[C@H]1C(=O)OCC D1619 [0,1,0,1,0,0|1,0,1]=4 127 B13R2.11128 O=C1CC2(CCNCC2)CCN1 D55427 [0,0,0,2,0,0|2,0,0]=4 128 B13R2.11128 O=C1NC2(CCNCC2)CCO1 X7222 [0,0,0,2,0,0|2,0,0]=4 129 B13R2.11128 O=C1N[C@@]2(CCCNC2)CCO1 X7224 [0,0,0,2,0,0|2,0,0]=4 130 B13R2.856 CCOC(=O)C1CC2CCC1N2 A19972 [0,0,0,2,0,0|1,0,0]=3 131 B13R2.856 CCOC(=O)[C@H]1CC2CCC1N2 A6547 [0,0,0,2,0,0|1,0,0]=3 132 B13R2.856 CCOC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 E66622 [0,0,0,2,0,0|1,0,0]=3 133 B13R2.844 CCOC(=O)[C@@H]1CC[C@@H]2O[C@@H]2C1 X11081 [0,0,0,2,0,0|1,0,0]=3 134 B13R2.844 CCOC(=O)[C@H]1CC[C@H]2O[C@H]2C1 X13796 [0,0,0,2,0,0|1,0,0]=3 135 B13R2.822 CCOC(=O)C1C2CCC(=O)C21 E37086 [0,0,0,2,0,0|1,0,1]=4 136 B13R2.822 CCOC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 E69707 [0,0,0,2,0,0|1,0,1]=4