0 B10R1.15 CC[C@H](N)C1CCCCC1 C52215 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 CC[C@H](O)C1CCNCC1 P62545 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.15 CNC(=O)[C@@H]1CCCNC1 N16649 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.15 CNC(=O)[C@H]1CCCNC1 M16650 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.15 CNC(=O)[C@H]1CCCNC1 M63083 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.15 COC(=O)C1=CCCCC1 M47018 [0,0,0,0,0,0|0,0,2]=2 6 B10R1.15 COC(=O)C1=CCOCC1 D4955 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.15 COC(=O)C1=CNCCC1 M29675 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.15 COC(=O)C1=COCCC1 M43727 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.15 COC(=O)C1CCNCC1 M25177 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.15 COC(=O)C1CCNCC1 M39294 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.15 COC(=O)C1CCOCC1 M10320 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.15 COC(=O)C1CCSCC1 M13092 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.15 COC(=O)N1CCNCC1 M62366 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.15 COC(=O)[C@@H]1CCCCN1 M28387 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.15 COC(=O)[C@@H]1CCCCN1 M39293 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.15 COC(=O)[C@@H]1CCCCN1 M39425 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.15 COC(=O)[C@@H]1CCCCO1 M43819 [0,0,0,0,0,0|1,0,0]=1 18 B10R1.15 COC(=O)[C@@H]1CCCNC1 M18060 [0,0,0,0,0,0|1,0,0]=1 19 B10R1.15 COC(=O)[C@@H]1CCCNC1 M21650 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.15 COC(=O)[C@@H]1CNCCN1 M43559 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.15 COC(=O)[C@@H]1CNCCO1 M43453 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.15 COC(=O)[C@@H]1CNCCO1 M43456 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.15 COC(=O)[C@@H]1COCCN1 M13411 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.15 COC(=O)[C@@H]1COCCN1 M18297 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.15 COC(=O)[C@@H]1COCCN1 M19898 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.15 COC(=O)[C@@H]1COCCN1 M41516 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.15 COC(=O)[C@H]1CCCNC1 M21649 [0,0,0,0,0,0|1,0,0]=1 28 B10R1.15 COC(=O)[C@H]1CCCNC1 M26313 [0,0,0,0,0,0|1,0,0]=1 29 B10R1.15 COC(=O)[C@H]1CCCOC1 M5495 [0,0,0,0,0,0|1,0,0]=1 30 B10R1.15 COC(=O)[C@H]1CNCCN1 P15343 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.15 COC(=O)[C@H]1CNCCO1 M37050 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.15 COC(=O)[C@H]1CNCCO1 M43455 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.15 COC(=O)[C@H]1COCCN1 M13412 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.15 CSC(=S)N1CCCCC1 M43860 [0,0,0,0,0,0|1,2,0]=3 35 B10R1.15 NCC(=O)C1CCCCC1 A11156 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.15 NCC(=O)N1CCCCC1 A46500 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.15 NNC(=O)C1CCOCC1 T15051 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.15 NNC(=O)[C@H]1CCCOC1 T15052 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.15 N[C@H](CO)C1CCCCC1 A47172 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.15 O=C(CBr)C1CCOCC1 B13722 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.15 O=C(CBr)N1CCOCC1 B41454 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.15 O=C(CCl)N1CCOCC1 C41455 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.15 O=C(CO)N1CCOCC1 H41514 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.6 CC(=O)C1CCCCC1 C25535 [1,0,0,0,0,0|0,0,0]=1 45 B9R1.6 CC(=O)C1CCNCC1 P69462 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.6 CC(=O)C1CCOCC1 T11195 [1,0,0,0,0,0|1,0,0]=2 47 B9R1.6 CC(=O)N1CCNCC1 A67843 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.6 CN(C)C1CCNCC1 D23980 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.6 CN(C)C1CCNCC1 D46522 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.6 CN(C)C1CCNCC1 D46603 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.6 C[C@H](Br)C1CCCCC1 B37545 [1,0,0,0,0,0|1,0,1]=3 52 B9R1.6 N=C(N)C1CCOCC1 T7867 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.6 NC(=O)C1CCNCC1 P10277 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.6 NC(=O)C1CCNCC1 P43467 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.6 NC(=O)[C@@H]1CCCNC1 P12324 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.6 NC(=O)[C@@H]1CCCNC1 P7512 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.6 NC(=O)[C@H]1CCCNC1 P12323 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.6 NC(=O)[C@H]1CCCNC1 P7513 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.6 O=C(Cl)C1CCOCC1 T3932 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.6 O=C(O)C1=CCCCO1 D43311 [1,0,0,0,0,0|1,0,2]=4 61 B9R1.6 O=C(O)C1=COCCC1 D23573 [1,0,0,0,0,0|1,0,2]=4 62 B9R1.6 O=C(O)C1CCCCC1 C64950 [1,0,0,0,0,0|0,0,0]=1 63 B9R1.6 O=C(O)C1CCNCC1 P23933 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.6 O=C(O)C1CCNCC1 P24453 [1,0,0,0,0,0|1,0,0]=2 65 B9R1.6 O=C(O)C1CCOCC1 T0117 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.6 O=C(O)C1CCSCC1 T13091 [1,0,0,0,0,0|1,0,0]=2 67 B9R1.6 O=C(O)N1CCCCC1 P62582 [1,0,0,0,0,0|1,0,0]=2 68 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C11079 [1,0,0,0,0,0|0,0,2]=3 69 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C68354 [1,0,0,0,0,0|0,0,2]=3 70 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43440 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43443 [1,0,0,0,0,0|1,0,0]=2 72 B9R1.6 O=C(O)[C@@H]1CCCCO1 T31331 [1,0,0,0,0,0|1,0,0]=2 73 B9R1.6 O=C(O)[C@@H]1CCCNC1 P12310 [1,0,0,0,0,0|1,0,0]=2 74 B9R1.6 O=C(O)[C@@H]1CNCCN1 P10721 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.6 O=C(O)[C@@H]1CNCCN1 P11877 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.6 O=C(O)[C@@H]1CNCCN1 P13373 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.6 O=C(O)[C@@H]1CNCCN1 P41382 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.6 O=C(O)[C@@H]1CNCCO1 M41374 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.6 O=C(O)[C@@H]1CNCCO1 M61070 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.6 O=C(O)[C@@H]1COCCN1 M15337 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.6 O=C(O)[C@@H]1COCCN1 M17082 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.6 O=C(O)[C@@H]1COCCN1 M31616 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.6 O=C(O)[C@@H]1COCCO1 D41234 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.6 O=C(O)[C@H]1CC=CCC1 C11080 [1,0,0,0,0,0|0,0,2]=3 85 B9R1.6 O=C(O)[C@H]1CCCCN1 P28251 [1,0,0,0,0,0|1,0,0]=2 86 B9R1.6 O=C(O)[C@H]1CCCNC1 P12311 [1,0,0,0,0,0|1,0,0]=2 87 B9R1.6 O=C(O)[C@H]1CCCNC1 P43444 [1,0,0,0,0,0|1,0,0]=2 88 B9R1.6 O=C(O)[C@H]1CCCOC1 T0697 [1,0,0,0,0,0|1,0,0]=2 89 B9R1.6 O=C(O)[C@H]1CCCSC1 T1163 [1,0,0,0,0,0|1,0,0]=2 90 B9R1.6 O=C(O)[C@H]1CNCCN1 P10722 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.6 O=C(O)[C@H]1CNCCN1 P11878 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.6 O=C(O)[C@H]1CNCCO1 M18388 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.6 O=C(O)[C@H]1CNCCO1 M63934 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.6 O=C(O)[C@H]1COCCN1 M15338 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.6 O=C(O)[C@H]1COCCN1 M41376 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.6 O=C(O)[C@H]1COCCO1 D41233 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.6 OB(O)C1CCCCC1 C2380 [1,0,0,0,0,0|1,0,1]=3 98 B9R1.6 OB(O)C1CCSCC1 T31828 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.8 BrCCC1CCCCC1 B0374 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.8 CCCC1CCNCC1 P49579 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.8 CCC[C@H]1CCCCN1 P49580 [1,0,0,0,0,0|2,0,1]=4 102 B9R1.8 CCNC1CCOCC1 E43915 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.8 CNCC1CCOCC1 M1162 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.8 CNC[C@H]1CCCOC1 M13661 [1,0,0,0,0,0|2,0,1]=4 105 B9R1.8 COCC1CCNCC1 M14337 [1,0,0,0,0,0|1,0,1]=3 106 B9R1.8 COCC1CCNCC1 M26475 [1,0,0,0,0,0|1,0,1]=3 107 B9R1.8 COC[C@@H]1CNCCO1 M43500 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.8 COC[C@@H]1COCCN1 M43499 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.8 COC[C@H]1CCCCN1 M46509 [1,0,0,0,0,0|1,0,1]=3 110 B9R1.8 COC[C@H]1CCCCN1 M46512 [1,0,0,0,0,0|1,0,1]=3 111 B9R1.8 COC[C@H]1CNCCO1 M41585 [1,0,0,0,0,0|2,0,1]=4 112 B9R1.8 COC[C@H]1CNCCO1 M43493 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.8 COC[C@H]1CNCCO1 M43498 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.8 COC[C@H]1COCCN1 M43494 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.8 ICCC1CCCCC1 I0264 [1,0,0,0,0,0|2,0,1]=4 116 B9R1.8 N#CCC1CCCCC1 C47050 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.8 NCCC1CCCCC1 C49581 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.8 [Mg+]CCC1CCCCC1 C31709 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.8 [N-]=[N+]=NC1CCCCC1 A5618 [1,0,0,0,0,0|3,0,0]=4 120 B11R1.16 CCCC(=O)N1CCNCC1 P63909 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.16 CCOC(=O)C1CCNCC1 E29669 [0,1,0,0,0,0|1,0,0]=2 122 B11R1.16 CCOC(=O)C1CCNCC1 P28285 [0,1,0,0,0,0|1,0,0]=2 123 B11R1.16 CCOC(=O)C1CCOCC1 E47102 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.16 CCOC(=O)C1OCCCO1 D10084 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.16 CCOC(=O)C1SCCCS1 D10076 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.16 CCOC(=O)N1CCCCC1 E47120 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.16 CCOC(=O)N1CCNCC1 E39297 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.16 CCOC(=O)[C@@H]1CCC=CO1 E25573 [0,1,0,0,0,0|1,0,2]=4 129 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E47117 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E49565 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 E49567 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.16 CCOC(=O)[C@@H]1CCCCO1 E63418 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 D21711 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E1816 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E22645 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.16 CCOC(=O)[C@@H]1CNCCN1 E46602 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.16 CCOC(=O)[C@@H]1CNCCO1 E43856 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.16 CCOC(=O)[C@@H]1COCCN1 E46494 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.16 CCOC(=O)[C@H]1CCCNC1 D25574 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E1843 [0,1,0,0,0,0|1,0,0]=2 141 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E23938 [0,1,0,0,0,0|1,0,0]=2 142 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E39525 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.16 N#CCC(=O)C1CCOCC1 X12641 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.22 CNC(=O)[C@H]1CC[C@@H](N)CC1 A65469 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.22 COC(=O)C1CCC(=O)CC1 M47024 [0,1,0,0,0,0|0,0,1]=2 146 B11R1.22 COC(=O)C1CCC(N)CC1 M47125 [0,1,0,0,0,0|0,0,0]=1 147 B11R1.22 COC(=O)C1CCC(O)CC1 M8610 [0,1,0,0,0,0|0,0,0]=1 148 B11R1.22 COC(=O)C1CCN(C)CC1 M21735 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.22 COC(=O)N1CCC(=O)CC1 M43780 [0,1,0,0,0,0|1,0,1]=3 150 B11R1.22 COC(=O)N1CCC(N)CC1 M43878 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 M29475 [0,1,0,0,0,0|1,0,0]=2 152 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 M29476 [0,1,0,0,0,0|1,0,0]=2 153 B11R1.22 COC(=O)[C@@H]1CC[C@H](C)NC1 M66014 [0,1,0,0,0,0|1,0,0]=2 154 B11R1.22 COC(=O)[C@@H]1CC[C@H](O)CN1 M14678 [0,1,0,0,0,0|1,0,0]=2 155 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 M41441 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 M0586 [0,1,0,0,0,0|1,0,1]=3 157 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 M11802 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 M66013 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.22 COC(=O)[C@H]1CC[C@@H](N)CC1 M12150 [0,1,0,0,0,0|0,0,0]=1 160 B11R1.22 COC(=O)[C@H]1CC[C@@H](O)CC1 M13282 [0,1,0,0,0,0|0,0,0]=1 161 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 M60290 [0,1,0,0,0,0|1,0,0]=2 162 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 M1501 [0,1,0,0,0,0|0,0,0]=1 163 B11R1.22 COC(=O)[C@H]1CC[C@H](O)CC1 M13283 [0,1,0,0,0,0|0,0,0]=1 164 B11R1.23 COC(=O)C1=CC(=O)CCC1 M46843 [0,1,0,0,0,0|0,0,3]=4 165 B11R1.23 COC(=O)C1CC(O)CCN1 M43857 [0,1,0,0,0,0|1,0,0]=2 166 B11R1.23 COC(=O)C1CCCC(O)C1 M47101 [0,1,0,0,0,0|0,0,0]=1 167 B11R1.23 COC(=O)C1CNCC(C)C1 M9144 [0,1,0,0,0,0|1,0,0]=2 168 B11R1.23 COC(=O)[C@@H]1CC(=O)CCN1 O7322 [0,1,0,0,0,0|1,0,1]=3 169 B11R1.23 COC(=O)[C@@H]1CCC[C@H](O)C1 M24974 [0,1,0,0,0,0|0,0,0]=1 170 B11R1.23 COC(=O)[C@@H]1CCN[C@H](C)C1 M11586 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.23 COC(=O)[C@@H]1CCN[C@H](C)C1 M60158 [0,1,0,0,0,0|1,0,0]=2 172 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 M41440 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.23 COC(=O)[C@H]1CCCC(=O)C1 M47023 [0,1,0,0,0,0|0,0,1]=2 174 B11R1.23 COC(=O)[C@H]1CCC[C@@H](O)C1 M20059 [0,1,0,0,0,0|0,0,0]=1 175 B11R1.23 COC(=O)[C@H]1CCNC(=O)C1 M7686 [0,1,0,0,0,0|1,0,1]=3 176 B11R1.23 COC(=O)[C@H]1CNC[C@@H](C)C1 M21608 [0,1,0,0,0,0|1,0,0]=2 177 B11R1.36 CN(C)C(=O)N1CCOCC1 D43877 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.36 O=C(O)C(=O)C1CCCCC1 C23673 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.222 COC(=O)C1CCNCC1F M59820 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.222 COC(=O)C1CNCCC1O M46495 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.222 COC(=O)[C@@H]1CCCCC1=O M23599 [0,1,0,0,0,0|0,0,1]=2 182 B11R1.222 COC(=O)[C@@H]1CCCNC1=O M43779 [0,1,0,0,0,0|1,0,1]=3 183 B11R1.222 COC(=O)[C@@H]1CNCCC1=O M46477 [0,1,0,0,0,0|1,0,1]=3 184 B11R1.222 COC(=O)[C@@H]1CNCCN1C M43879 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.222 COC(=O)[C@@H]1COCCC1=O M18404 [0,1,0,0,0,0|1,0,1]=3 186 B11R1.222 COC(=O)[C@@H]1COCC[C@@H]1N M32271 [0,1,0,0,0,0|1,0,0]=2 187 B11R1.222 COC(=O)[C@@H]1CSCCC1=O M8265 [0,1,0,0,0,0|1,0,1]=3 188 B11R1.878 COC(=O)C1(C)CCNCC1 M12045 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.878 COC(=O)C1(C)CCOCC1 M8033 [0,1,0,0,0,0|1,0,0]=2 190 B11R1.878 COC(=O)C1(F)CCOCC1 M11565 [0,1,0,0,0,0|1,0,0]=2 191 B11R1.878 COC(=O)C1(N)CCCCC1 M49571 [0,1,0,0,0,0|0,0,0]=1 192 B11R1.878 COC(=O)C1(N)CCOCC1 M12044 [0,1,0,0,0,0|1,0,0]=2 193 B11R1.878 COC(=O)C1(N)CCOCC1 M29746 [0,1,0,0,0,0|1,0,0]=2 194 B11R1.878 COC(=O)C1(O)CCNCC1 M46496 [0,1,0,0,0,0|1,0,0]=2 195 B11R1.878 COC(=O)C1(O)CCOCC1 M12108 [0,1,0,0,0,0|1,0,0]=2 196 B11R1.878 COC(=O)[C@@]1(C)CCCNC1 M11316 [0,1,0,0,0,0|1,0,0]=2 197 B11R1.878 COC(=O)[C@]1(C)COCCN1 M10768 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.878 COC(=O)[C@]1(O)CCCNC1 M37711 [0,1,0,0,0,0|1,0,0]=2 199 B9R0.8 CCCC[C@H](N)C(=O)OC M46518 [0,0,1,0,0,0|1,0,0]=2 200 B9R0.8 COC(=O)[C@@H](Br)CCCBr M41466 [0,0,1,0,0,0|2,0,0]=3 201 B9R0.46 COC(=O)CCCCCBr M39296 [0,0,1,0,0,0|1,0,0]=2 202 B9R0.46 COC(=O)CCCCCN M67967 [0,0,1,0,0,0|1,0,0]=2 203 B11R2.1 O=C1CC[C@@H]2CNCCN12 H10647 [0,0,0,1,0,0|3,0,0]=4 204 B11R2.1 O=C1CC[C@@H]2CNCCN12 H31039 [0,0,0,1,0,0|3,0,0]=4 205 B11R2.1 O=C1CC[C@H]2CNCCN12 H10646 [0,0,0,1,0,0|3,0,0]=4 206 B11R2.1 O=C1CC[C@H]2CNCCN12 X17072 [0,0,0,1,0,0|3,0,0]=4 207 B11R2.1 O=C1NC[C@@H]2CCNC[C@H]12 O1562 [0,0,0,1,0,0|2,0,0]=3 208 B11R2.1 O=C1NC[C@H]2CCNC[C@@H]12 X14209 [0,0,0,1,0,0|2,0,0]=3 209 B11R2.1 O=C1OC[C@@H]2CNCCN12 H13025 [0,0,0,1,0,0|2,0,0]=3 210 B11R2.1 O=C1OC[C@H]2CNCCN12 H8753 [0,0,0,1,0,0|2,0,0]=3 211 B11R2.12 O=C1NCC12CCNCC2 D13655 [0,0,0,1,0,0|2,0,0]=3 212 B11R2.12 O=C1NCC12CCNCC2 D30159 [0,0,0,1,0,0|2,0,0]=3 213 B11R2.895 COC(=O)C12CNCC1C2 M20319 [0,0,0,1,0,0|1,0,0]=2 214 B11R2.905 COC(=O)[C@@H]1[C@H]2CNC[C@H]21 M13240 [0,0,0,1,0,0|1,0,0]=2 215 B11R2.911 COC(=O)[C@H]1NC[C@@H]2CC12 A15435 [0,0,0,1,0,0|1,0,0]=2 216 B11R2.911 COC(=O)[C@H]1NC[C@H]2C[C@H]21 A8246 [0,0,0,1,0,0|1,0,0]=2 217 B11R2.914 COC(=O)C1CC2OC2C1 M13555 [0,0,0,1,0,0|1,0,0]=2 218 B11R2.914 COC(=O)C1C[C@@H]2O[C@@H]2C1 M29970 [0,0,0,1,0,0|1,0,0]=2 219 B9R1.11 CNC(=O)[C@@H]1CCCN1 M43471 [0,0,0,0,1,0|2,0,0]=3 220 B9R1.11 COC(=O)C1=CCCC1 M43720 [0,0,0,0,1,0|0,0,2]=3 221 B9R1.11 COC(=O)C1CC=CC1 M13554 [0,0,0,0,1,0|0,0,2]=3 222 B9R1.11 COC(=O)C1CCCC1 M43805 [0,0,0,0,1,0|0,0,0]=1 223 B9R1.11 COC(=O)[C@@H]1CCCN1 M38491 [0,0,0,0,1,0|1,0,0]=2 224 B9R1.11 COC(=O)[C@@H]1CCNC1 M20211 [0,0,0,0,1,0|1,0,0]=2 225 B9R1.11 COC(=O)[C@@H]1CCNC1 M25987 [0,0,0,0,1,0|1,0,0]=2 226 B9R1.11 COC(=O)[C@@H]1CCOC1 M10323 [0,0,0,0,1,0|1,0,0]=2 227 B9R1.11 COC(=O)[C@H]1CCNC1 E6960 [0,0,0,0,1,0|1,0,0]=2 228 B9R1.11 COC(=O)[C@H]1CCNC1 M10274 [0,0,0,0,1,0|1,0,0]=2 229 B9R1.11 COC(=O)[C@H]1CCNC1 M20204 [0,0,0,0,1,0|1,0,0]=2 230 B9R1.11 COC(=O)[C@H]1CCNC1 P12312 [0,0,0,0,1,0|1,0,0]=2 231 B9R1.11 COC(=O)[C@H]1CCOC1 M12450 [0,0,0,0,1,0|1,0,0]=2 232 B9R1.11 COC(=O)[C@H]1CCOC1 M7564 [0,0,0,0,1,0|1,0,0]=2 233 B9R1.11 NNC(=O)[C@H]1CCOC1 T15050 [0,0,0,0,1,0|3,0,0]=4 234 B11R1.40 COC(=O)CC1CCNCC1 M49566 [0,0,0,0,0,1|1,0,0]=2 235 B11R1.40 COC(=O)CC1CCOCC1 M20436 [0,0,0,0,0,1|1,0,0]=2 236 B11R1.852 COC(=O)[C@H]1CCCNCC1 M15039 [0,0,0,0,0,1|0,0,0]=1 237 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [1,0,1,0,0,0|1,0,0]=3 238 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [1,0,1,0,0,0|1,0,0]=3 239 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [1,0,1,0,0,0|1,0,0]=3 240 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [1,0,1,0,0,0|2,0,0]=4 241 B8R0.6 CCCC=CC(=O)OC M43802 [1,0,1,0,0,0|0,0,2]=4 242 B8R0.6 CCCCCC(=O)CBr B43868 [1,0,1,0,0,0|2,0,0]=4 243 B8R0.6 CNCCCC(=O)OC M43486 [1,0,1,0,0,0|1,0,0]=3 244 B8R0.6 COC(=O)CCCCBr M41523 [1,0,1,0,0,0|1,0,0]=3 245 B8R0.6 COC(=O)CCCCCl M63406 [1,0,1,0,0,0|1,0,0]=3 246 B8R0.6 COC(=O)CCCCN M43490 [1,0,1,0,0,0|1,0,0]=3 247 B8R0.6 COC(=O)COCCCl M41275 [1,0,1,0,0,0|2,0,0]=4 248 B8R0.6 COCCCC(=O)OC M68350 [1,0,1,0,0,0|1,0,0]=3 249 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [1,0,1,0,0,0|1,0,0]=3 250 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [1,0,1,0,0,0|2,0,0]=4 251 B8R0.20 COC(=O)C(CN)CN M41391 [1,0,1,0,0,0|2,0,0]=4 252 B8R0.20 COC(=O)C(OC)OC M40396 [1,0,1,0,0,0|2,0,0]=4 253 B8R0.4 CCCCCCCNC M47212 [1,0,1,0,0,0|1,0,1]=4 254 B8R0.4 COCCCCCCBr B43941 [1,0,1,0,0,0|1,0,1]=4 255 B8R0.7 C#CCCCCC(=O)O H43713 [1,0,1,0,0,0|0,0,2]=4 256 B8R0.7 C=CCCCCC(=O)O H63383 [1,0,1,0,0,0|0,0,2]=4 257 B8R0.7 CCCCCCB(O)O H41623 [1,0,1,0,0,0|1,0,1]=4 258 B8R0.7 CCCCCC[C@@H](C)O X47207 [1,0,1,0,0,0|0,0,2]=4 259 B8R0.7 COCCOCC(=O)O M37948 [1,0,1,0,0,0|2,0,0]=4 260 B8R0.7 NCCOCCC(=O)O A40415 [1,0,1,0,0,0|2,0,0]=4 261 B8R0.7 O=C(O)CCCCCBr B67880 [1,0,1,0,0,0|1,0,0]=3 262 B8R0.7 O=C(O)CCCCCCl C41527 [1,0,1,0,0,0|1,0,0]=3 263 B8R0.7 O=C(O)CCOCCBr B41274 [1,0,1,0,0,0|2,0,0]=4 264 B8R0.7 O=C([O-])CCCCCO P41406 [1,0,1,0,0,0|1,0,1]=4 265 B8R1.2 BrCC1CCCCC1 B43832 [2,0,0,0,0,0|1,0,1]=4 266 B8R1.2 CC[C@H]1CCCCN1 E46502 [2,0,0,0,0,0|1,0,1]=4 267 B8R1.2 CNC1CCNCC1 M13774 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.2 CNC1CCOCC1 M10218 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.2 CN[C@H]1CCCNC1 M43509 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.2 CN[C@H]1CCCNC1 M43560 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.2 COC1CCNCC1 M0482 [2,0,0,0,0,0|1,0,0]=3 272 B8R1.2 COC1CCNCC1 M1164 [2,0,0,0,0,0|1,0,0]=3 273 B8R1.2 CO[C@@H]1CCCNC1 M10269 [2,0,0,0,0,0|1,0,0]=3 274 B8R1.2 CO[C@@H]1CCCNC1 M10270 [2,0,0,0,0,0|1,0,0]=3 275 B8R1.2 CO[C@H]1CCCNC1 M10271 [2,0,0,0,0,0|1,0,0]=3 276 B8R1.2 CO[C@H]1CCCNC1 M1167 [2,0,0,0,0,0|1,0,0]=3 277 B8R1.2 CO[C@H]1CCCNC1 M7502 [2,0,0,0,0,0|1,0,0]=3 278 B8R1.2 ICC1CCCCC1 I38363 [2,0,0,0,0,0|1,0,1]=4 279 B8R1.2 N#CC1CCCCC1 C69224 [2,0,0,0,0,0|1,0,1]=4 280 B8R1.2 NCC1CCCCC1 C43900 [2,0,0,0,0,0|1,0,1]=4 281 B8R1.2 NNC1CCCCC1 C43508 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.2 NO[C@@H]1CCCCO1 T24832 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.2 O=CC1CCOCC1 T0115 [2,0,0,0,0,0|1,0,0]=3 284 B8R1.2 O=CC1CCSCC1 T31827 [2,0,0,0,0,0|1,0,0]=3 285 B8R1.2 O=CN1CCCCC1 P68910 [2,0,0,0,0,0|1,0,0]=3 286 B8R1.2 O=CN1CCOCC1 M68909 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 OCC1CCNCC1 P0766 [2,0,0,0,0,0|1,0,1]=4 288 B8R1.2 OCC1CCOCC1 H0390 [2,0,0,0,0,0|1,0,1]=4 289 B8R1.2 OCC1CCSCC1 T13093 [2,0,0,0,0,0|1,0,1]=4 290 B8R1.2 OC[C@@H]1CCCCN1 P7111 [2,0,0,0,0,0|1,0,1]=4 291 B8R1.2 OC[C@@H]1CCCCO1 X24024 [2,0,0,0,0,0|1,0,1]=4 292 B8R1.2 OC[C@@H]1CCCNC1 P41579 [2,0,0,0,0,0|1,0,1]=4 293 B8R1.2 OC[C@@H]1CCCNC1 P60999 [2,0,0,0,0,0|1,0,1]=4 294 B8R1.2 OC[C@@H]1CCCOC1 X59846 [2,0,0,0,0,0|1,0,1]=4 295 B8R1.2 OC[C@H]1CCCCN1 H41578 [2,0,0,0,0,0|1,0,1]=4 296 B8R1.2 OC[C@H]1CCCCN1 P7110 [2,0,0,0,0,0|1,0,1]=4 297 B8R1.2 OC[C@H]1CCCNC1 P0762 [2,0,0,0,0,0|1,0,1]=4 298 B8R1.2 OC[C@H]1CCCNC1 P41576 [2,0,0,0,0,0|1,0,1]=4 299 B8R1.2 OC[C@H]1CCCOC1 H11515 [2,0,0,0,0,0|1,0,1]=4 300 B8R1.2 OC[C@H]1CCCOC1 X59849 [2,0,0,0,0,0|1,0,1]=4 301 B8R1.2 ONC1CCCCC1 C43480 [2,0,0,0,0,0|1,0,0]=3 302 B8R1.2 [Mg+]CC1CCCCC1 C31706 [2,0,0,0,0,0|1,0,1]=4 303 B10R0.19 CCCCC(=O)C(=O)OCC E12153 [0,1,1,0,0,0|1,0,1]=4 304 B10R0.19 CCOC(=O)[C@@H](N)CCCN E63673 [0,1,1,0,0,0|2,0,0]=4 305 B10R0.83 COC(=O)[C@H](N)CCCCN M46606 [0,1,1,0,0,0|1,0,0]=3 306 B10R0.30 CCN[C@H](C(=O)OC)C(C)C M47179 [0,1,1,0,0,0|1,0,0]=3 307 B10R0.51 CC[C@H](C)[C@H](NC)C(=O)OC M49587 [0,1,1,0,0,0|1,0,0]=3 308 B10R0.54 CC[C@@H](NC(C)C)C(=O)OC M47178 [0,1,1,0,0,0|1,0,0]=3 309 B10R0.73 CCOC(OCC)C(=N)OC M43935 [0,1,1,0,0,0|2,0,0]=4 310 B10R0.1 CCOC(=O)CCCCCBr E39444 [0,1,1,0,0,0|1,0,0]=3 311 B10R0.1 CCOC(=O)CCCCCO E47160 [0,1,1,0,0,0|1,0,0]=3 312 B10R0.18 CCCCC(=O)CC(=O)OC M47093 [0,1,1,0,0,0|0,0,1]=3 313 B10R0.55 COC(=O)CCCCC(=O)[O-] M43784 [0,1,1,0,0,0|1,0,1]=4 314 B10R0.55 COC(=O)CCCCC(C)=O M47094 [0,1,1,0,0,0|0,0,1]=3 315 B10R0.74 CCCCCCCC(=O)NO X67416 [0,1,1,0,0,0|2,0,0]=4 316 B10R0.74 COC(=O)CCCCCCBr M47141 [0,1,1,0,0,0|0,0,0]=2 317 B10R0.74 COC(=O)CCCCCCN M49584 [0,1,1,0,0,0|0,0,0]=2 318 B10R1.13 CC(=O)C1CCN(C)CC1 A61485 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.13 CC(=O)N1CCC(=O)CC1 A38504 [1,1,0,0,0,0|1,0,1]=4 320 B10R1.13 CC(=O)N1CCC(Cl)CC1 C38339 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.13 CC(=O)N1CCC(N)CC1 A12231 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.13 CC(=O)N1CCC(N)CC1 A12232 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.13 CC(=O)N1CCC(O)CC1 H7831 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.13 CC(=O)N1CCN(C)CC1 M43876 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.13 CC1CCC(C(=O)O)CC1 M47086 [1,1,0,0,0,0|0,0,0]=2 326 B10R1.13 CN(C)C1CCC(N)CC1 D49684 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.13 CN(C)C1CCC(O)CC1 D38821 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.13 CN1CCC(C(=O)O)CC1 M3857 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.13 CN1CCC(C(=O)O)CC1 M46487 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.13 CN1CCC(C(N)=O)CC1 M3856 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 M47088 [1,1,0,0,0,0|0,0,0]=2 332 B10R1.13 NC(=O)C1CCC(=O)CC1 X69547 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 A17080 [1,1,0,0,0,0|0,0,0]=2 334 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 A8201 [1,1,0,0,0,0|0,0,0]=2 335 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 A15622 [1,1,0,0,0,0|0,0,0]=2 336 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 T1863 [1,1,0,0,0,0|0,0,0]=2 337 B10R1.13 O=C(O)C1CCC(F)CC1 F30022 [1,1,0,0,0,0|0,0,0]=2 338 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 H11578 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 H20354 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 H13281 [1,1,0,0,0,0|0,0,0]=2 341 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 H15603 [1,1,0,0,0,0|1,0,0]=3 342 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 H21751 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 H13280 [1,1,0,0,0,0|0,0,0]=2 344 B10R1.13 O=C1CCC(C(=O)O)CC1 X12147 [1,1,0,0,0,0|0,0,1]=3 345 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 X1308 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 X1728 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.28 CC(C)(O)C1CCCCC1 C29711 [1,1,0,0,0,0|0,0,2]=4 348 B10R1.28 CS(=O)(=O)C1CCNCC1 M0129 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.28 CS(=O)(=O)[C@@H]1CCCNC1 M31004 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.28 CS(=O)(=O)[C@H]1CCCNC1 M1655 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.28 CS(=O)(=O)[C@H]1CCCNC1 M31005 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.28 NS(=O)(=O)C1CCCCC1 C41590 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.61 CC(C)C1CCCCC1O P50579 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.61 CC1NCCCC1C(=O)O M46488 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1N D38732 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1N D47195 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N D47196 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.61 CN1CCCC[C@@H]1C(=O)O M23602 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.61 CN1CCCC[C@H]1C(=O)O M23603 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.61 CN1CCCC[C@H]1C(=O)O M46486 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.61 C[C@@H]1OCCN[C@H]1C(=O)O M43457 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.113 CC(=O)N1CCN[C@@H](C)C1 M46501 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.113 CC1CCCC(C(=O)O)N1 M43847 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.113 CN1CCC[C@H](C(=O)O)C1 M12564 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 M25194 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)C1 M59674 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 M59675 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.113 C[C@H]1CNC[C@H](C(=O)O)C1 M59698 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 A15487 [1,1,0,0,0,0|0,0,0]=2 370 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 A27720 [1,1,0,0,0,0|0,0,0]=2 371 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 A27835 [1,1,0,0,0,0|0,0,0]=2 372 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A13773 [1,1,0,0,0,0|0,0,0]=2 373 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A15702 [1,1,0,0,0,0|0,0,0]=2 374 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A27836 [1,1,0,0,0,0|0,0,0]=2 375 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A46492 [1,1,0,0,0,0|0,0,0]=2 376 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 A27837 [1,1,0,0,0,0|0,0,0]=2 377 B10R1.113 O=C(O)C1CC(O)CCN1 H36833 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.113 O=C(O)C1CCCC(O)C1 H43817 [1,1,0,0,0,0|0,0,0]=2 379 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 H43459 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 P69097 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 X43724 [1,1,0,0,0,0|0,0,1]=3 382 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 X63709 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.113 O=C1C[C@@H](C(=O)O)CCN1 X1724 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.363 CC(=O)C1(C)CCOCC1 M26198 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.363 CC1(C(=O)O)CCNCC1 M26508 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.363 CC1(C(=O)O)CCOCC1 M0516 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.363 CC1(C(=O)O)CCSCC1 M13095 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 M61881 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.363 C[C@]1(C(=O)O)CCCCN1 M16273 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.363 C[C@]1(C(=O)O)CCCNC1 M11314 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.363 C[C@]1(C(=O)O)CCCNC1 M11315 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.363 NC1(C(=O)O)CCCCC1 A68884 [1,1,0,0,0,0|0,0,0]=2 393 B10R1.363 NC1(C(=O)O)CCNCC1 A15544 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.363 NC1(C(=O)O)CCOCC1 A12039 [1,1,0,0,0,0|1,0,0]=3 395 B10R1.363 NC1(C(=O)O)CCOCC1 A43458 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.363 O=C(O)C1(F)CCOCC1 F11519 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.363 O=C(O)C1(O)CCCCC1 H43816 [1,1,0,0,0,0|0,0,0]=2 398 B10R1.363 O=C(O)C1(O)CCOCC1 H23960 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.17 BrCCOC1CCCCC1 B47143 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.17 COCCC1CCNCC1 M0867 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.17 COCCC1CCNCC1 M11399 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.17 COCC[C@H]1CCCCN1 M49583 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.18 C[C@H](N)CC1CCCCC1 C52214 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.11 CCOC(=O)[C@@H]1CCCO1 E43818 [0,1,0,0,1,0|1,0,0]=3 405 B10R1.11 CCOC(=O)[C@@H]1CSCN1 E61537 [0,1,0,0,1,0|2,0,0]=4 406 B10R1.11 CCOC(=O)[C@H]1CCCN1 E37266 [0,1,0,0,1,0|1,0,0]=3 407 B10R1.11 CCOC(=O)[C@H]1CCNC1 E25456 [0,1,0,0,1,0|1,0,0]=3 408 B10R1.11 N#CCC(=O)C1CCCC1 C10418 [0,1,0,0,1,0|1,0,1]=4 409 B10R1.14 COC(=O)C1CCC(Br)C1 M59847 [0,1,0,0,1,0|0,0,0]=2 410 B10R1.14 COC(=O)C1CCC(N)C1 C13729 [0,1,0,0,1,0|0,0,0]=2 411 B10R1.14 COC(=O)N1CCC(=O)C1 M43388 [0,1,0,0,1,0|1,0,1]=4 412 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 M66564 [0,1,0,0,1,0|0,0,2]=4 413 B10R1.14 COC(=O)[C@@H]1CC(=O)CO1 M43316 [0,1,0,0,1,0|1,0,1]=4 414 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 M14939 [0,1,0,0,1,0|0,0,1]=3 415 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 M10758 [0,1,0,0,1,0|1,0,1]=4 416 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 M6847 [0,1,0,0,1,0|1,0,1]=4 417 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 M14936 [0,1,0,0,1,0|0,0,0]=2 418 B10R1.14 COC(=O)[C@@H]1CC[C@@H](O)C1 M25442 [0,1,0,0,1,0|0,0,0]=2 419 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 M14934 [0,1,0,0,1,0|0,0,0]=2 420 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 M60218 [0,1,0,0,1,0|0,0,0]=2 421 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 M5245 [0,1,0,0,1,0|1,0,1]=4 422 B10R1.14 COC(=O)[C@@H]1C[C@@H](S)CN1 M59855 [0,1,0,0,1,0|1,0,0]=3 423 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 M5733 [0,1,0,0,1,0|1,0,0]=3 424 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 M23511 [0,1,0,0,1,0|1,0,0]=3 425 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 M14938 [0,1,0,0,1,0|0,0,1]=3 426 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 O3033 [0,1,0,0,1,0|0,0,1]=3 427 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 M63312 [0,1,0,0,1,0|1,0,1]=4 428 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 M14935 [0,1,0,0,1,0|0,0,0]=2 429 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 M15680 [0,1,0,0,1,0|0,0,0]=2 430 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 M14937 [0,1,0,0,1,0|0,0,0]=2 431 B10R1.14 COC(=O)[C@H]1C[C@@H](F)CN1 M19877 [0,1,0,0,1,0|1,0,0]=3 432 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 M10824 [0,1,0,0,1,0|1,0,0]=3 433 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 M43460 [0,1,0,0,1,0|1,0,0]=3 434 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 D14239 [0,1,0,0,1,0|2,0,0]=4 435 B10R1.23 CN(C)C(=O)[C@H]1CCCN1 D14238 [0,1,0,0,1,0|2,0,0]=4 436 B10R1.149 COC(=O)[C@@H]1CCCC1=O M11030 [0,1,0,0,1,0|0,0,1]=3 437 B10R1.149 COC(=O)[C@@H]1CCCN1C M43852 [0,1,0,0,1,0|1,0,0]=3 438 B10R1.149 COC(=O)[C@@H]1CCOC1=O M43315 [0,1,0,0,1,0|1,0,1]=4 439 B10R1.149 COC(=O)[C@@H]1COCC1=O M1625 [0,1,0,0,1,0|1,0,1]=4 440 B10R1.149 COC(=O)[C@@H]1NCC[C@@H]1O M27104 [0,1,0,0,1,0|1,0,0]=3 441 B10R1.149 COC(=O)[C@@H]1NCC[C@H]1O M30155 [0,1,0,0,1,0|1,0,0]=3 442 B10R1.149 COC(=O)[C@@H]1SCCC1=O M38166 [0,1,0,0,1,0|1,0,1]=4 443 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C M32340 [0,1,0,0,1,0|1,0,0]=3 444 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C M37125 [0,1,0,0,1,0|1,0,0]=3 445 B10R1.149 COC(=O)[C@H]1COC[C@H]1N M19435 [0,1,0,0,1,0|1,0,0]=3 446 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O M15055 [0,1,0,0,1,0|1,0,0]=3 447 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O M13329 [0,1,0,0,1,0|1,0,0]=3 448 B10R1.149 COC(=O)[C@H]1NCC[C@H]1O M15059 [0,1,0,0,1,0|1,0,0]=3 449 B10R1.411 COC(=O)C1(N)CCCC1 M24481 [0,1,0,0,1,0|0,0,0]=2 450 B10R1.411 COC(=O)C1(O)CCCC1 M29915 [0,1,0,0,1,0|0,0,0]=2 451 B10R1.411 COC(=O)[C@@]1(C)CCCN1 M15317 [0,1,0,0,1,0|1,0,0]=3 452 B10R1.411 COC(=O)[C@@]1(C)CCNC1 M16615 [0,1,0,0,1,0|1,0,0]=3 453 B10R1.411 COC(=O)[C@@]1(C)CCOC1 M13225 [0,1,0,0,1,0|1,0,0]=3 454 B10R1.411 COC(=O)[C@]1(C)CCCN1 M11864 [0,1,0,0,1,0|1,0,0]=3 455 B10R1.411 COC(=O)[C@]1(C)CCCO1 M11684 [0,1,0,0,1,0|1,0,0]=3 456 B10R1.411 COC(=O)[C@]1(N)CCOC1 A13191 [0,1,0,0,1,0|1,0,0]=3 457 B12R1.32 CCOC(=O)C=C1CCCNC1 E52195 [0,1,0,0,0,1|1,0,1]=4 458 B12R1.32 CCOC(=O)C=C1CCOCC1 E12043 [0,1,0,0,0,1|1,0,1]=4 459 B12R1.32 CCOC(=O)CC1CCNCC1 E0928 [0,1,0,0,0,1|1,0,0]=3 460 B12R1.32 CCOC(=O)CC1CCNCC1 E24428 [0,1,0,0,0,1|1,0,0]=3 461 B12R1.32 CCOC(=O)CC1CCOCC1 E8052 [0,1,0,0,0,1|1,0,0]=3 462 B12R1.32 CCOC(=O)CN1CCOCC1 E47127 [0,1,0,0,0,1|2,0,0]=4 463 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 E10869 [0,1,0,0,0,1|1,0,0]=3 464 B12R1.32 CCOC(=O)\C=C1\CCCNC1 E52196 [0,1,0,0,0,1|1,0,1]=4 465 B12R1.34 COC(=O)C(=O)C1CCCCC1 M24628 [0,1,0,0,0,1|0,0,0]=2 466 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 M66442 [0,1,0,0,0,1|0,0,0]=2 467 B12R1.34 COC(=O)[C@@H](N)C1CCOCC1 M0708 [0,1,0,0,0,1|1,0,0]=3 468 B12R1.34 COC(=O)[C@@H](N)C1CCOCC1 M49575 [0,1,0,0,0,1|1,0,0]=3 469 B12R1.34 COC(=O)[C@H](N)C1CCCCC1 M52203 [0,1,0,0,0,1|0,0,0]=2 470 B12R1.49 COC(=O)CC1CCN(C)CC1 M13931 [0,1,0,0,0,1|1,0,0]=3 471 B12R1.50 COC(=O)CC1CNCC(C)C1 M30165 [0,1,0,0,0,1|1,0,0]=3 472 B12R1.371 COC(=O)CC1CNCCC1C M30168 [0,1,0,0,0,1|1,0,0]=3 473 B12R1.365 COC(=O)[C@@H]1CCCCCC1=O M50440 [0,1,0,0,0,1|0,0,0]=2 474 B12R1.16 C=C1CCC(C(=O)OCC)CC1 E53209 [0,2,0,0,0,0|0,0,1]=3 475 B12R1.16 CCOC(=O)C1CCC(N)CC1 E24029 [0,2,0,0,0,0|0,0,0]=2 476 B12R1.16 CCOC(=O)C1CCC(N)CC1 E52205 [0,2,0,0,0,0|0,0,0]=2 477 B12R1.16 CCOC(=O)C1CCC(N)CC1 E52207 [0,2,0,0,0,0|0,0,0]=2 478 B12R1.16 CCOC(=O)C1CCC(N)CO1 E14987 [0,2,0,0,0,0|1,0,0]=3 479 B12R1.16 CCOC(=O)C1CCC(O)CC1 E37902 [0,2,0,0,0,0|0,0,0]=2 480 B12R1.16 CCOC(=O)C1CCC(O)CC1 E50510 [0,2,0,0,0,0|0,0,0]=2 481 B12R1.16 CCOC(=O)C1CCC(O)CO1 E11761 [0,2,0,0,0,0|1,0,0]=3 482 B12R1.16 CCOC(=O)C1CCN(C)CC1 E50535 [0,2,0,0,0,0|1,0,0]=3 483 B12R1.16 CCOC(=O)N1CCC(=O)CC1 C39440 [0,2,0,0,0,0|1,0,1]=4 484 B12R1.16 CCOC(=O)N1CCC(N)CC1 E47148 [0,2,0,0,0,0|1,0,0]=3 485 B12R1.16 CCOC(=O)N1CCC(O)CC1 E39442 [0,2,0,0,0,0|1,0,0]=3 486 B12R1.16 CCOC(=O)[C@@H]1CCC(=O)CO1 E14988 [0,2,0,0,0,0|1,0,1]=4 487 B12R1.16 CCOC(=O)[C@@H]1CC[C@@H](N)CO1 E14997 [0,2,0,0,0,0|1,0,0]=3 488 B12R1.16 CCOC(=O)[C@H]1CC[C@@H](N)CO1 E14994 [0,2,0,0,0,0|1,0,0]=3 489 B12R1.16 CCOC(=O)[C@H]1CC[C@@H](O)CO1 E14996 [0,2,0,0,0,0|1,0,0]=3 490 B12R1.16 CCOC(=O)[C@H]1CC[C@H](O)CO1 E14995 [0,2,0,0,0,0|1,0,0]=3 491 B12R1.17 CCOC(=O)[C@@H]1CC(=O)CCO1 P22839 [0,2,0,0,0,0|1,0,1]=4 492 B12R1.17 CCOC(=O)[C@H]1CCCC(=O)C1 E23119 [0,2,0,0,0,0|0,0,1]=3 493 B12R1.17 CCOC(=O)[C@H]1C[C@H](C)CCN1 E25195 [0,2,0,0,0,0|1,0,0]=3 494 B12R1.308 CCOC(=O)C1=C(N)CCCC1 E50468 [0,2,0,0,0,0|0,0,2]=4 495 B12R1.308 CCOC(=O)C1CCCCC1O E50509 [0,2,0,0,0,0|0,0,0]=2 496 B12R1.308 CCOC(=O)[C@@H]1CCCCC1=O E50439 [0,2,0,0,0,0|0,0,1]=3 497 B12R1.308 CCOC(=O)[C@@H]1CCCCN1C E50530 [0,2,0,0,0,0|1,0,0]=3 498 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1O E50512 [0,2,0,0,0,0|0,0,0]=2 499 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1O E50513 [0,2,0,0,0,0|0,0,0]=2 500 B12R1.308 CCOC(=O)[C@@H]1CCCN[C@@H]1C E29500 [0,2,0,0,0,0|1,0,0]=3 501 B12R1.308 CCOC(=O)[C@@H]1CCNCC1=O E49554 [0,2,0,0,0,0|1,0,1]=4 502 B12R1.308 CCOC(=O)[C@@H]1CNCCC1=O E15548 [0,2,0,0,0,0|1,0,1]=4 503 B12R1.308 CCOC(=O)[C@@H]1COCCC1=O E37534 [0,2,0,0,0,0|1,0,1]=4 504 B12R1.308 CCOC(=O)[C@@H]1OCCCC1=O E17657 [0,2,0,0,0,0|1,0,1]=4 505 B12R1.1595 CCOC(=O)C1(C)CCNCC1 E22475 [0,2,0,0,0,0|1,0,0]=3 506 B12R1.1595 CCOC(=O)C1(C)CCNCC1 E37315 [0,2,0,0,0,0|1,0,0]=3 507 B12R1.1595 CCOC(=O)C1(F)CCNCC1 E49560 [0,2,0,0,0,0|1,0,0]=3 508 B12R1.1595 CCOC(=O)C1(N)CCCCC1 E52202 [0,2,0,0,0,0|0,0,0]=2 509 B12R1.1595 CCOC(=O)C1(N)CCSCC1 E29577 [0,2,0,0,0,0|1,0,0]=3 510 B12R1.1595 CCOC(=O)C1(O)CCCCC1 E32369 [0,2,0,0,0,0|0,0,0]=2 511 B12R1.1595 CCOC(=O)[C@@]1(C)CCCNC1 E52204 [0,2,0,0,0,0|1,0,0]=3 512 B12R1.1595 CCOC(=O)[C@]1(C)CCCNC1 E22903 [0,2,0,0,0,0|1,0,0]=3 513 B12R1.5 COC(=O)C1CCC(CBr)CC1 M50479 [0,2,0,0,0,0|0,0,0]=2 514 B12R1.5 COC(=O)C1CCC(CO)CC1 M50514 [0,2,0,0,0,0|0,0,0]=2 515 B12R1.5 COC(=O)N1CCC(CO)CC1 M47133 [0,2,0,0,0,0|1,0,0]=3 516 B12R1.5 COC(=O)[C@H]1CC[C@H](C=O)CC1 M10702 [0,2,0,0,0,0|0,0,0]=2 517 B12R1.5 COC(=O)[C@H]1CC[C@H](CN)CC1 M61873 [0,2,0,0,0,0|0,0,0]=2 518 B12R1.5 COC(=O)[C@H]1CC[C@H](CO)CC1 H13287 [0,2,0,0,0,0|0,0,0]=2 519 B12R1.367 COC(=O)[C@H]1CCN(C)C(=O)C1 M7546 [0,2,0,0,0,0|1,0,1]=4 520 B12R1.1704 COC(=O)C1CCC(F)(F)CC1 M29558 [0,2,0,0,0,0|0,0,0]=2 521 B12R1.1704 COC(=O)[C@H]1CCC(C)(C)NC1 M29597 [0,2,0,0,0,0|1,0,0]=3 522 B12R1.24 COC(=O)[C@@H]1CCCC(=O)N1C P22280 [0,2,0,0,0,0|1,0,1]=4 523 B12R1.1707 COC(=O)[C@@H]1CNCC(F)(F)C1 M10767 [0,2,0,0,0,0|1,0,0]=3 524 B12R1.3452 COC(=O)C1(C)CCCC(N)C1 M60029 [0,2,0,0,0,0|0,0,0]=2 525 B12R1.124 CC(C)C(=O)[C@@H]1CCCCC1=O B23455 [0,2,0,0,0,0|1,0,1]=4 526 B12R1.1729 COC(=O)[C@]1(C)COCCC1=O M15685 [0,2,0,0,0,0|1,0,1]=4 527 B12R1.3454 COC(=O)C1(CN)CCOCC1 M23292 [0,2,0,0,0,0|1,0,0]=3 528 B10R1.29 CCCCN1CCCC1=O B68886 [0,0,1,1,0,0|2,0,0]=4 529 B10R1.169 COC(=O)C1CC(CN)C1 M20788 [0,0,1,1,0,0|1,0,0]=3 530 B10R1.182 COC(=O)C(N)C1COC1 M6273 [0,0,1,1,0,0|2,0,0]=4 531 B10R1.422 COC(=O)C1(CN)CCC1 M16952 [0,0,1,1,0,0|1,0,0]=3 532 B10R1.422 COC(=O)C1(OC)CNC1 M11828 [0,0,1,1,0,0|2,0,0]=4 533 B10R1.27 COC(=O)C[C@@H]1CCCN1 M46490 [0,0,1,1,0,0|1,0,0]=3 534 B10R1.27 COC(=O)C[C@H]1CCCN1 M46489 [0,0,1,1,0,0|1,0,0]=3 535 B10R1.78 O=C1CCCCCCCN1 A62814 [0,0,1,1,0,0|1,0,0]=3 536 B10R1.153 COC(=O)CCNC1CC1 M43848 [0,0,1,1,0,0|1,0,0]=3 537 B10R2.61 O=C1OC2C=CCC1C2 X38973 [1,0,0,1,0,0|0,0,2]=4 538 B10R2.62 O=C1CN2CCC1CC2 A17311 [1,0,0,1,0,0|1,0,0]=3 539 B10R2.62 O=C1NC2CCC1CC2 A11449 [1,0,0,1,0,0|1,0,0]=3 540 B10R2.62 O[C@H]1CC2CCC1CC2 B47081 [1,0,0,1,0,0|0,0,2]=4 541 B10R2.344 O=C(O)C12CNCC1C2 A11245 [1,0,0,1,0,0|1,0,0]=3 542 B10R2.344 O=C(O)[C@@]12CC1CCN2 A59678 [1,0,0,1,0,0|1,0,0]=3 543 B10R2.351 NC(=O)[C@@H]1[C@H]2CNC[C@H]21 A11243 [1,0,0,1,0,0|2,0,0]=4 544 B10R2.351 NC(=O)[C@@H]1[C@H]2CNC[C@H]21 A31829 [1,0,0,1,0,0|2,0,0]=4 545 B10R2.351 O=C(O)C1C2COCC21 X43312 [1,0,0,1,0,0|1,0,0]=3 546 B10R2.351 O=C(O)[C@@H]1[C@H]2COC[C@H]21 X13542 [1,0,0,1,0,0|1,0,0]=3 547 B10R2.351 O=C(O)[C@H]1[C@H]2COC[C@H]21 X24260 [1,0,0,1,0,0|1,0,0]=3 548 B10R2.355 O=C(O)[C@@H]1NC[C@@H]2C[C@@H]21 A8244 [1,0,0,1,0,0|1,0,0]=3 549 B10R2.355 O=C(O)[C@@H]1NC[C@H]2C[C@H]21 A60096 [1,0,0,1,0,0|1,0,0]=3 550 B10R2.355 O=C(O)[C@H]1NC[C@@H]2CC12 A15434 [1,0,0,1,0,0|1,0,0]=3 551 B10R2.357 O=C(O)C1CC2CC2C1 B11090 [1,0,0,1,0,0|0,0,0]=2 552 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 A11247 [1,0,0,1,0,0|1,0,0]=3 553 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 A13960 [1,0,0,1,0,0|1,0,0]=3 554 B10R2.7 C1CCC2CNCC2C1 X47109 [1,0,0,1,0,0|1,0,1]=4 555 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 X49562 [1,0,0,1,0,0|1,0,1]=4 556 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 X6365 [1,0,0,1,0,0|1,0,1]=4 557 B10R2.408 C1CC2COCC(C1)N2 X14547 [1,0,0,1,0,0|1,0,1]=4 558 B10R2.484 C1CC2(CCN1)COC2 X6034 [1,0,0,1,0,0|1,0,1]=4 559 B10R2.484 C1CC2(CCN1)COC2 X65392 [1,0,0,1,0,0|1,0,1]=4 560 B10R2.484 C1CCC2(CC1)CCN2 A14690 [1,0,0,1,0,0|2,0,0]=4 561 B10R2.484 C1CCC2(CC1)CNC2 A15579 [1,0,0,1,0,0|1,0,1]=4 562 B10R2.484 C1CCC2(COC2)NC1 X6035 [1,0,0,1,0,0|1,0,1]=4 563 B10R2.484 C1CNCC2(C1)COC2 O5949 [1,0,0,1,0,0|1,0,1]=4 564 B10R2.32 O=C1CCC2CNCC12 H15275 [0,0,0,1,1,0|2,0,0]=4 565 B10R2.32 O=C1NC[C@@H]2CCN[C@H]12 H11258 [0,0,0,1,1,0|2,0,0]=4 566 B10R2.32 O=C1NC[C@H]2CNC[C@@H]12 X59902 [0,0,0,1,1,0|2,0,0]=4 567 B10R2.178 O=C1CCC2CCC1N2 A14807 [0,0,0,1,1,0|2,0,0]=4 568 B10R2.178 O=C1CCC2CCC1N2 A60094 [0,0,0,1,1,0|2,0,0]=4 569 B10R2.178 O=C1NCC2CCC1C2 A43770 [0,0,0,1,1,0|1,0,0]=3 570 B10R2.178 O=C1NCC2CCC1N2 D13376 [0,0,0,1,1,0|2,0,0]=4 571 B10R2.178 O=C1NCC2CCC1O2 X6210 [0,0,0,1,1,0|2,0,0]=4 572 B12R2.18 CN1C(=O)O[C@@H]2CNCC[C@@H]21 M20227 [0,0,0,1,0,1|2,0,0]=4 573 B12R2.24 O=C1CCC2CCCCC2O1 X50435 [0,0,0,1,0,1|1,0,0]=3 574 B12R2.2918 O=C1CC2(CCCCC2)CN1 A63277 [0,0,0,1,0,1|1,0,0]=3 575 B12R2.2918 O=C1CC2(CCNCC2)CN1 D6100 [0,0,0,1,0,1|2,0,0]=4 576 B12R2.2918 O=C1CC2(CCNCC2)CN1 D69378 [0,0,0,1,0,1|2,0,0]=4 577 B12R2.2918 O=C1CC2(CCOCC2)CN1 X10641 [0,0,0,1,0,1|2,0,0]=4 578 B12R2.2918 O=C1CCC2(CCNCC2)N1 D19305 [0,0,0,1,0,1|2,0,0]=4 579 B12R2.2918 O=C1CCC2(CCNCC2)O1 X64174 [0,0,0,1,0,1|2,0,0]=4 580 B12R2.2918 O=C1CC[C@@]2(CCCNC2)O1 X64505 [0,0,0,1,0,1|2,0,0]=4 581 B12R2.2918 O=C1C[C@@]2(CCCNC2)CN1 D13918 [0,0,0,1,0,1|2,0,0]=4 582 B12R2.2918 O=C1NC2(CCNCC2)CO1 X43794 [0,0,0,1,0,1|1,0,0]=3 583 B12R2.2918 O=C1NCC2(CCNCC2)N1 T64860 [0,0,0,1,0,1|2,0,0]=4 584 B12R2.3810 COC(=O)C1C2CNCC1C2 M7357 [0,0,0,1,0,1|1,0,0]=3 585 B12R2.1585 COC(=O)C1CCC2OC2C1 M47027 [0,0,0,1,0,1|0,0,0]=2 586 B12R2.8 O=C1NCCC12CCCCC2 A50465 [0,1,0,1,0,0|1,0,0]=3 587 B12R2.8 O=C1NCCC12CCNCC2 D31553 [0,1,0,1,0,0|2,0,0]=4 588 B12R2.8 O=C1NCC[C@@]12CCCNC2 D17070 [0,1,0,1,0,0|2,0,0]=4 589 B12R2.8 O=C1OCCC12CCNCC2 X49550 [0,1,0,1,0,0|1,0,0]=3 590 B12R2.8 O=C1OCCC12CCNCC2 X64274 [0,1,0,1,0,0|1,0,0]=3 591 B12R2.13 O=C1CC(=O)C12CCCCC2 S50286 [0,1,0,1,0,0|1,0,1]=4 592 B12R2.1081 O=C1COC[C@@H]2CNCCN12 H13378 [0,1,0,1,0,0|2,0,0]=4 593 B12R2.1081 O=C1COC[C@@H]2CNCCN12 H60344 [0,1,0,1,0,0|2,0,0]=4 594 B12R2.1469 CCOC(=O)C12CNCC1C2 E14526 [0,1,0,1,0,0|1,0,0]=3 595 B12R2.1469 CCOC(=O)C12CNCC1C2 E49551 [0,1,0,1,0,0|1,0,0]=3 596 B12R2.1479 CCOC(=O)C1C2CNCC21 E49552 [0,1,0,1,0,0|1,0,0]=3 597 B12R2.1479 CCOC(=O)C1C2COCC21 E47026 [0,1,0,1,0,0|1,0,0]=3 598 B12R2.1479 CCOC(=O)[C@@H]1[C@H]2COC[C@H]21 E13625 [0,1,0,1,0,0|1,0,0]=3 599 B12R2.1479 CCOC(=O)[C@H]1[C@H]2COC[C@H]21 E18958 [0,1,0,1,0,0|1,0,0]=3 600 B12R2.1488 CCOC(=O)C1CC2CC2C1 E29680 [0,1,0,1,0,0|0,0,0]=2 601 B12R2.2028 O=C1NC(=O)[C@@H]2CCCC[C@H]12 H39437 [0,1,0,1,0,0|1,0,1]=4 602 B12R2.1596 COC(=O)[C@@H]1C[C@@H]2CC[C@H]1N2 M27113 [0,1,0,1,0,0|0,0,0]=2 603 B12R2.3461 COC(=O)C12CC(CCN1)C2 M15259 [0,1,0,1,0,0|1,0,0]=3 604 B8R1.7 CC(=O)C1CCCC1 C69351 [1,0,0,0,1,0|0,0,0]=2 605 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [1,0,0,0,1,0|2,0,0]=4 606 B8R1.7 C[C@H](N)C1CCCC1 C31670 [1,0,0,0,1,0|1,0,1]=4 607 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [1,0,0,0,1,0|2,0,0]=4 608 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [1,0,0,0,1,0|2,0,0]=4 609 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [1,0,0,0,1,0|2,0,0]=4 610 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [1,0,0,0,1,0|2,0,0]=4 611 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [1,0,0,0,1,0|2,0,0]=4 612 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [1,0,0,0,1,0|2,0,0]=4 613 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [1,0,0,0,1,0|2,0,0]=4 614 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [1,0,0,0,1,0|2,0,0]=4 615 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [1,0,0,0,1,0|2,0,0]=4 616 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [1,0,0,0,1,0|2,0,0]=4 617 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [1,0,0,0,1,0|2,0,0]=4 618 B8R1.7 O=C(O)C1=CCCC1 C43305 [1,0,0,0,1,0|0,0,2]=4 619 B8R1.7 O=C(O)C1CC=CC1 C11537 [1,0,0,0,1,0|0,0,2]=4 620 B8R1.7 O=C(O)C1CCCC1 C23144 [1,0,0,0,1,0|0,0,0]=2 621 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [1,0,0,0,1,0|1,0,0]=3 622 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [1,0,0,0,1,0|1,0,0]=3 623 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [1,0,0,0,1,0|1,0,0]=3 624 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [1,0,0,0,1,0|1,0,0]=3 625 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [1,0,0,0,1,0|1,0,0]=3 626 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [1,0,0,0,1,0|1,0,0]=3 627 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [1,0,0,0,1,0|1,0,0]=3 628 B8R1.7 O=C(O)[C@@H]1COCN1 X40338 [1,0,0,0,1,0|2,0,0]=4 629 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [1,0,0,0,1,0|1,0,0]=3 630 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [1,0,0,0,1,0|1,0,0]=3 631 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [1,0,0,0,1,0|1,0,0]=3 632 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [1,0,0,0,1,0|1,0,0]=3 633 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [1,0,0,0,1,0|1,0,0]=3 634 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [1,0,0,0,1,0|1,0,0]=3 635 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [1,0,0,0,1,0|1,0,0]=3 636 B8R1.7 O=C(O)[C@H]1CSCN1 T63317 [1,0,0,0,1,0|2,0,0]=4 637 B8R1.7 OB(O)C1CCCC1 C2400 [1,0,0,0,1,0|1,0,1]=4 638 B8R1.8 COC[C@@H]1CCCN1 M14243 [1,0,0,0,1,0|1,0,1]=4 639 B8R1.8 COC[C@@H]1CCNC1 M14792 [1,0,0,0,1,0|1,0,1]=4 640 B8R1.8 COC[C@@H]1CCNC1 M31656 [1,0,0,0,1,0|1,0,1]=4 641 B8R1.8 COC[C@H]1CCCN1 M14242 [1,0,0,0,1,0|1,0,1]=4 642 B8R1.8 COC[C@H]1CCNC1 M14793 [1,0,0,0,1,0|1,0,1]=4 643 B8R1.8 COC[C@H]1CCNC1 M26667 [1,0,0,0,1,0|1,0,1]=4 644 B8R1.8 COC[C@H]1CCNC1 M41581 [1,0,0,0,1,0|1,0,1]=4 645 B8R1.38 COC(=O)C1CNC1 M5857 [0,0,0,0,2,0|1,0,0]=3 646 B8R1.38 COC(=O)C1COC1 M15764 [0,0,0,0,2,0|1,0,0]=3 647 B8R1.38 COC(=O)[C@@H]1CCN1 M11233 [0,0,0,0,2,0|1,0,0]=3 648 B8R1.38 COC(=O)[C@@H]1CCN1 M11611 [0,0,0,0,2,0|1,0,0]=3 649 B8R1.38 COC(=O)[C@H]1CCN1 M11612 [0,0,0,0,2,0|1,0,0]=3 650 B8R1.38 NNC(=O)C1CCC1 C12362 [0,0,0,0,2,0|2,0,0]=4 651 B10R1.348 CC(=O)N1CCCNCC1 D43875 [1,0,0,0,0,1|1,0,0]=3 652 B10R1.348 NC(=O)C1CCCCCC1 C47114 [1,0,0,0,0,1|1,0,0]=3 653 B10R1.348 O=C(O)C1CCC=CCC1 C47016 [1,0,0,0,0,1|0,0,1]=3 654 B10R1.348 O=C(O)[C@H]1CCCNCC1 H1656 [1,0,0,0,0,1|0,0,0]=2 655 B12R1.27 COC(=O)CO[C@@H]1CCCCO1 M47106 [0,0,0,0,0,2|1,0,0]=3