0 B11R0.148 C#CCCCCCCCC(=O)O MCULE-1292545040 [0,0,0,0,0,0|0,0,4]=4 1 B11R0.148 C=C(Br)CCCCCCCCC MCULE-3332268450 [0,0,0,0,0,0|2,0,2]=4 2 B11R0.148 C=C(C)CCCCCCCCC MCULE-1709497926 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.148 C=C(Cl)CCCCCCCCC MCULE-9304719526 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.148 C=CCCCCCCCC(=O)O MCULE-3892173219 [0,0,0,0,0,0|0,0,4]=4 5 B11R0.148 CC(=O)CCCCCCCCBr MCULE-8502798206 [0,0,0,0,0,0|2,0,2]=4 6 B11R0.148 CCC=CCC=CCCC(=O)O MCULE-4088771773 [0,0,0,0,0,0|0,0,2]=2 7 B11R0.148 CCCC/C=C\CCOC(=O)C MCULE-5044870920 [0,0,0,0,0,0|2,0,2]=4 8 B11R0.148 CCCCC/C=C/CCC(=O)O MCULE-1356880290 [0,0,0,0,0,0|0,0,0]=0 9 B11R0.148 CCCCC=CCCOC(=O)C MCULE-8921990055 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.148 CCCCCC/C=C/CC(=O)O MCULE-1834860815 [0,0,0,0,0,0|0,0,2]=2 11 B11R0.148 CCCCCC=CCCC(=O)O MCULE-1637451620 [0,0,0,0,0,0|0,0,0]=0 12 B11R0.148 CCCCCCC/C=C/C(=O)O MCULE-3189731619 [0,0,0,0,0,0|0,0,4]=4 13 B11R0.148 CCCCCCC/C=C\C(=O)O MCULE-5508964733 [0,0,0,0,0,0|0,0,4]=4 14 B11R0.148 CCCCCCC=CCC(=O)O MCULE-5816262119 [0,0,0,0,0,0|0,0,2]=2 15 B11R0.148 CCCCCCCC=CC(=O)O MCULE-9648702049 [0,0,0,0,0,0|0,0,4]=4 16 B11R0.148 CCCCCCCCCC(=N)N MCULE-6113298447 [0,0,0,0,0,0|2,0,2]=4 17 B11R0.148 CCCCCCCCCC(=N)N MCULE-7599360964 [0,0,0,0,0,0|2,0,2]=4 18 B11R0.148 CCCCCCCCCC(=O)C MCULE-6858373499 [0,0,0,0,0,0|1,0,2]=3 19 B11R0.148 CCCCCCCCCC(=O)Cl MCULE-4226412977 [0,0,0,0,0,0|1,0,2]=3 20 B11R0.148 CCCCCCCCCC(=O)F MCULE-1839398331 [0,0,0,0,0,0|1,0,2]=3 21 B11R0.148 CCCCCCCCCC(=O)N MCULE-1159230758 [0,0,0,0,0,0|1,0,2]=3 22 B11R0.148 CCCCCCCCCC(=O)O MCULE-3914949169 [0,0,0,0,0,0|0,0,2]=2 23 B11R0.148 CCCCCCCCCC(=O)O MCULE-7204730113 [0,0,0,0,0,0|0,0,2]=2 24 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-2720595773 [0,0,0,0,0,0|0,0,3]=3 25 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-7398604282 [0,0,0,0,0,0|0,0,3]=3 26 B11R0.148 CCCCCCCCCC(C)O MCULE-8628471202 [0,0,0,0,0,0|1,0,3]=4 27 B11R0.148 CCCCCCCCCN(=O)=O MCULE-5909474153 [0,0,0,0,0,0|1,0,3]=4 28 B11R0.148 CCCCCCCCNC(=O)N MCULE-1005292011 [0,0,0,0,0,0|2,0,2]=4 29 B11R0.148 CCCCCCCCOC(=O)C MCULE-8590238161 [0,0,0,0,0,0|2,0,2]=4 30 B11R0.148 CCCCCCCCOC(=O)Cl MCULE-2623966790 [0,0,0,0,0,0|2,0,2]=4 31 B11R0.148 CCCCCCCNCC(=O)O MCULE-2155508761 [0,0,0,0,0,0|1,0,2]=3 32 B11R0.148 CCCCCCCNCC(=O)O MCULE-8805007132 [0,0,0,0,0,0|1,0,2]=3 33 B11R0.148 CCCCCCCSCC(=O)O MCULE-7218313490 [0,0,0,0,0,0|1,0,2]=3 34 B11R0.148 CCCCOCCOCC(=O)O MCULE-3118678736 [0,0,0,0,0,0|2,0,2]=4 35 B11R0.148 CCCCSCCCCC(=O)O MCULE-1665011362 [0,0,0,0,0,0|1,0,2]=3 36 B11R0.148 CCOCCOCCCC(=O)O MCULE-5210306588 [0,0,0,0,0,0|2,0,1]=3 37 B11R0.148 NC(=O)CCCCCCCCCl MCULE-4533445908 [0,0,0,0,0,0|2,0,2]=4 38 B11R0.148 NCCCCCCCCC(=O)O MCULE-9064856591 [0,0,0,0,0,0|1,0,2]=3 39 B11R0.148 NCCOCCOCCC(=O)O MCULE-7286284064 [0,0,0,0,0,0|3,0,1]=4 40 B11R0.148 NCCOCCOCCC(=O)O MCULE-8782232340 [0,0,0,0,0,0|3,0,1]=4 41 B11R0.148 O=C(O)CCCCCCCCBr MCULE-2459167157 [0,0,0,0,0,0|1,0,2]=3 42 B11R0.148 O=C(O)CCCCCCCCCl MCULE-9010808862 [0,0,0,0,0,0|1,0,2]=3 43 B11R0.148 O=C(O)CCCCCCCCO MCULE-6121514710 [0,0,0,0,0,0|1,0,2]=3 44 B11R0.148 O=C(O)CCOCCOCCBr MCULE-3253906029 [0,0,0,0,0,0|3,0,1]=4 45 B11R0.148 O=C(O)CCOCCOCCO MCULE-9797832183 [0,0,0,0,0,0|3,0,1]=4 46 B11R0.148 O=C(O)CCOCCOCCS MCULE-1627429574 [0,0,0,0,0,0|3,0,1]=4 47 B11R0.148 O=CCCCCCCCC(=O)O MCULE-8345312745 [0,0,0,0,0,0|1,0,3]=4 48 B10R0.4 C#CCCCCCCC(=O)O MCULE-9844370313 [1,0,0,0,0,0|0,0,3]=4 49 B10R0.4 C(=CC(=O)O)CCCCCC MCULE-5063564829 [1,0,0,0,0,0|0,0,2]=3 50 B10R0.4 C=C(Br)CCCCCCCC MCULE-6632348327 [1,0,0,0,0,0|2,0,1]=4 51 B10R0.4 C=C(C)CCCCCCCC MCULE-2486247417 [1,0,0,0,0,0|2,0,1]=4 52 B10R0.4 C=C(Cl)CCCCCCCC MCULE-5745154351 [1,0,0,0,0,0|2,0,1]=4 53 B10R0.4 C=CCCCCCCC(=O)O MCULE-3663585072 [1,0,0,0,0,0|0,0,3]=4 54 B10R0.4 CC(=O)CCCCCCCO MCULE-6975960500 [1,0,0,0,0,0|2,0,1]=4 55 B10R0.4 CCCC/C=C/COC(=O)C MCULE-5121036018 [1,0,0,0,0,0|2,0,0]=3 56 B10R0.4 CCCCC/C=C/CC(=O)O MCULE-1378284129 [1,0,0,0,0,0|0,0,0]=1 57 B10R0.4 CCCCC=CCOC(=O)C MCULE-9678532361 [1,0,0,0,0,0|2,0,0]=3 58 B10R0.4 CCCCCC/C=C/C(=O)O MCULE-8167234483 [1,0,0,0,0,0|0,0,2]=3 59 B10R0.4 CCCCCC=CCC(=O)O MCULE-5507503933 [1,0,0,0,0,0|0,0,0]=1 60 B10R0.4 CCCCCCC=CC(=O)C MCULE-7025674174 [1,0,0,0,0,0|1,0,2]=4 61 B10R0.4 CCCCCCCCB(O)O MCULE-9483383226 [1,0,0,0,0,0|1,0,2]=4 62 B10R0.4 CCCCCCCCC(=N)N MCULE-1846296312 [1,0,0,0,0,0|2,0,1]=4 63 B10R0.4 CCCCCCCCC(=O)C MCULE-6168357226 [1,0,0,0,0,0|1,0,1]=3 64 B10R0.4 CCCCCCCCC(=O)Cl MCULE-7596715750 [1,0,0,0,0,0|1,0,1]=3 65 B10R0.4 CCCCCCCCC(=O)N MCULE-6415702858 [1,0,0,0,0,0|1,0,1]=3 66 B10R0.4 CCCCCCCCC(=O)O MCULE-4736597375 [1,0,0,0,0,0|0,0,1]=2 67 B10R0.4 CCCCCCCCC(=O)[O-] MCULE-1077439841 [1,0,0,0,0,0|0,0,2]=3 68 B10R0.4 CCCCCCCCC(C)O MCULE-3577613701 [1,0,0,0,0,0|1,0,2]=4 69 B10R0.4 CCCCCCCCN(=O)=O MCULE-2507397154 [1,0,0,0,0,0|1,0,2]=4 70 B10R0.4 CCCCCCCC[C@@H](C)O MCULE-6511994487 [1,0,0,0,0,0|1,0,2]=4 71 B10R0.4 CCCCCCCC[C@H](C)O MCULE-7200709868 [1,0,0,0,0,0|1,0,2]=4 72 B10R0.4 CCCCCCCNC(=O)C MCULE-3916780915 [1,0,0,0,0,0|2,0,1]=4 73 B10R0.4 CCCCCCCOC(=O)C MCULE-7061891812 [1,0,0,0,0,0|2,0,1]=4 74 B10R0.4 CCCCCCCOC(=O)Cl MCULE-9018506867 [1,0,0,0,0,0|2,0,1]=4 75 B10R0.4 CCCCCCNCC(=O)O MCULE-3361498309 [1,0,0,0,0,0|1,0,1]=3 76 B10R0.4 CCCCCCOCC(=O)O MCULE-6951993364 [1,0,0,0,0,0|1,0,1]=3 77 B10R0.4 CCCCCCSCC(=O)O MCULE-5086023021 [1,0,0,0,0,0|1,0,1]=3 78 B10R0.4 CCCCSCCCC(=O)O MCULE-5928316679 [1,0,0,0,0,0|1,0,1]=3 79 B10R0.4 CCOCCCCCC(=O)O MCULE-9514442276 [1,0,0,0,0,0|1,0,1]=3 80 B10R0.4 CCOCCOCCC(=O)O MCULE-7483626719 [1,0,0,0,0,0|2,0,0]=3 81 B10R0.4 COCCCNCCC(=O)N MCULE-2468408250 [1,0,0,0,0,0|3,0,0]=4 82 B10R0.4 COCCCOCCC(=O)O MCULE-5178930362 [1,0,0,0,0,0|2,0,0]=3 83 B10R0.4 CSCCCCCCC(=O)O MCULE-9976800222 [1,0,0,0,0,0|1,0,1]=3 84 B10R0.4 NC(=O)CCCCCCCBr MCULE-4427479699 [1,0,0,0,0,0|2,0,1]=4 85 B10R0.4 NCCCCCCCC(=O)O MCULE-2737882810 [1,0,0,0,0,0|1,0,1]=3 86 B10R0.4 NCCCCCCCC(=O)O MCULE-4269382976 [1,0,0,0,0,0|1,0,1]=3 87 B10R0.4 NCCCCCCNC(=O)O MCULE-3865214371 [1,0,0,0,0,0|2,0,1]=4 88 B10R0.4 NCCCNCCCC(=O)O MCULE-2780784491 [1,0,0,0,0,0|2,0,1]=4 89 B10R0.4 NCCCNCCCC(=O)O MCULE-8488597292 [1,0,0,0,0,0|2,0,1]=4 90 B10R0.4 O=C(Cl)CCCCCCCBr MCULE-5775098735 [1,0,0,0,0,0|2,0,1]=4 91 B10R0.4 O=C(O)CCCCCCCBr MCULE-6425557416 [1,0,0,0,0,0|1,0,1]=3 92 B10R0.4 O=C(O)CCCCCCCO MCULE-1839591073 [1,0,0,0,0,0|1,0,1]=3 93 B10R0.4 O=C(O)CCCCCCCS MCULE-6555950664 [1,0,0,0,0,0|1,0,1]=3 94 B10R0.4 O=CCCCCCCC(=O)O MCULE-3146118588 [1,0,0,0,0,0|1,0,2]=4 95 B10R0.4 [C@H](C)(O)CCCCCCCC MCULE-7849954701 [1,0,0,0,0,0|1,0,2]=4 96 B10R0.71 C(=CCCCCO)CCCC MCULE-5192933185 [1,0,0,0,0,0|0,0,3]=4 97 B10R0.71 C=CC=CC=CCCCCC MCULE-9947050551 [1,0,0,0,0,0|1,0,2]=4 98 B10R0.71 C=CCCCCCCCCC MCULE-8437878932 [1,0,0,0,0,0|1,0,2]=4 99 B10R0.71 CC/C=C\C/C=C\CCCO MCULE-1130402964 [1,0,0,0,0,0|0,0,3]=4 100 B10R0.71 CCC=CCC=CCCCO MCULE-2677869651 [1,0,0,0,0,0|0,0,3]=4 101 B10R0.71 CCCC/C=C/CCCCO MCULE-8537897542 [1,0,0,0,0,0|0,0,3]=4 102 B10R0.71 CCCC/C=C\CCCCO MCULE-8382129018 [1,0,0,0,0,0|0,0,3]=4 103 B10R0.71 CCCCC/C=C/C=C/C=O MCULE-8478423084 [1,0,0,0,0,0|0,0,2]=3 104 B10R0.71 CCCCC/C=C/CCC=O MCULE-6310350913 [1,0,0,0,0,0|0,0,0]=1 105 B10R0.71 CCCCC/C=C\CCC=O MCULE-2454675705 [1,0,0,0,0,0|0,0,0]=1 106 B10R0.71 CCCCC/C=C\CCCO MCULE-5673742797 [1,0,0,0,0,0|0,0,1]=2 107 B10R0.71 CCCCCC=CC=CC=O MCULE-9055179345 [1,0,0,0,0,0|0,0,2]=3 108 B10R0.71 CCCCCC=CCCC=O MCULE-4591548304 [1,0,0,0,0,0|0,0,0]=1 109 B10R0.71 CCCCCC=CCCCO MCULE-4774794120 [1,0,0,0,0,0|0,0,1]=2 110 B10R0.71 CCCCCCC=CCCO MCULE-7637000822 [1,0,0,0,0,0|0,0,3]=4 111 B10R0.71 CCCCCCCCCC=O MCULE-1782320282 [1,0,0,0,0,0|0,0,2]=3 112 B10R0.71 CCCCCCCCCCO MCULE-7579570663 [1,0,0,0,0,0|0,0,3]=4 113 B10R0.71 CCCCCCCCNC=O MCULE-5327203150 [1,0,0,0,0,0|1,0,2]=4 114 B10R0.71 CCCCCCCCOC=O MCULE-6865253802 [1,0,0,0,0,0|1,0,2]=4 115 B10R0.71 O=CCCCCCCCCBr MCULE-7863300341 [1,0,0,0,0,0|1,0,2]=4 116 B12R0.4 CCCCCCCC(C)CC(=O)O MCULE-8785424338 [0,1,0,0,0,0|0,0,2]=3 117 B12R0.4 CCCCCCCC(N)CC(=O)O MCULE-6703111524 [0,1,0,0,0,0|0,0,2]=3 118 B12R0.4 CCCCCCCC(N)CC(=O)O MCULE-7291666407 [0,1,0,0,0,0|0,0,2]=3 119 B12R0.4 CCCCCCCC(O)CC(=O)O MCULE-4360629497 [0,1,0,0,0,0|0,0,2]=3 120 B12R0.4 CCCCCCC[C@@H](O)CC(=O)O MCULE-9404172021 [0,1,0,0,0,0|0,0,2]=3 121 B12R0.4 CCCCCCC[C@H](O)CC(=O)O MCULE-4030960180 [0,1,0,0,0,0|0,0,2]=3 122 B12R0.95 CCCCC(=O)CCCCC(=O)O MCULE-6207970958 [0,1,0,0,0,0|0,0,3]=4 123 B12R0.119 CCCCCCCCCP(=O)(O)O MCULE-4052139199 [0,1,0,0,0,0|1,0,2]=4 124 B12R0.184 CCC(=O)CCCCCCC(=O)O MCULE-4717498477 [0,1,0,0,0,0|0,0,3]=4 125 B12R0.184 CCC(C)CCCCCCC(=O)O MCULE-2900681210 [0,1,0,0,0,0|0,0,2]=3 126 B12R0.233 CCCCCC(=O)CCCC(=O)O MCULE-7183792222 [0,1,0,0,0,0|0,0,1]=2 127 B12R0.233 CCCCCC(=O)NCCC(=O)O MCULE-7265291580 [0,1,0,0,0,0|1,0,0]=2 128 B12R0.233 CCCCCC(O)CCCC(=O)O MCULE-2335278488 [0,1,0,0,0,0|0,0,2]=3 129 B12R0.233 CCCCCC(O)CCCC(=O)[O-] MCULE-7035156488 [0,1,0,0,0,0|0,0,3]=4 130 B12R0.233 CCCCNC(=O)CCCC(=O)O MCULE-9110065966 [0,1,0,0,0,0|1,0,1]=3 131 B12R0.233 CCCCNC(=O)COCC(=O)O MCULE-2161293982 [0,1,0,0,0,0|2,0,1]=4 132 B12R0.233 COCCNC(=O)CCCC(=O)O MCULE-3432547059 [0,1,0,0,0,0|2,0,1]=4 133 B12R0.234 C#CCCCCCCCCC(=O)O MCULE-2483655428 [0,1,0,0,0,0|0,0,3]=4 134 B12R0.234 C=CCCCCCCCCC(=O)O MCULE-7928135942 [0,1,0,0,0,0|0,0,3]=4 135 B12R0.234 CC#CCCCCCCCC(=O)O MCULE-8975663292 [0,1,0,0,0,0|0,0,3]=4 136 B12R0.234 CCCCCCC/C=C/CC(=O)C MCULE-6992455059 [0,1,0,0,0,0|1,0,2]=4 137 B12R0.234 CCCCCCCC/C=C/C(=O)O MCULE-6786701242 [0,1,0,0,0,0|0,0,3]=4 138 B12R0.234 CCCCCCCCC=CC(=O)O MCULE-7750983255 [0,1,0,0,0,0|0,0,3]=4 139 B12R0.234 CCCCCCCCCCC(=O)C MCULE-3936750617 [0,1,0,0,0,0|1,0,2]=4 140 B12R0.234 CCCCCCCCCCC(=O)Cl MCULE-1131766423 [0,1,0,0,0,0|1,0,2]=4 141 B12R0.234 CCCCCCCCCCC(=O)N MCULE-7086521203 [0,1,0,0,0,0|1,0,2]=4 142 B12R0.234 CCCCCCCCCCC(=O)O MCULE-5110587542 [0,1,0,0,0,0|0,0,2]=3 143 B12R0.234 CCCCCCCCCOC(=O)C MCULE-7712513310 [0,1,0,0,0,0|1,0,2]=4 144 B12R0.234 CCCCCCCCCOC(=O)Cl MCULE-4937657236 [0,1,0,0,0,0|1,0,2]=4 145 B12R0.234 CCCCCCCCOCC(=O)O MCULE-8710960938 [0,1,0,0,0,0|0,0,2]=3 146 B12R0.234 CCCCCCCCSCC(=O)N MCULE-3095528852 [0,1,0,0,0,0|1,0,2]=4 147 B12R0.234 CCCCCCCCSCC(=O)O MCULE-8082253480 [0,1,0,0,0,0|0,0,2]=3 148 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-1736831432 [0,1,0,0,0,0|0,0,2]=3 149 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-8284012398 [0,1,0,0,0,0|0,0,2]=3 150 B12R0.234 CCCCCCCNCCC(=O)N MCULE-9973742738 [0,1,0,0,0,0|1,0,2]=4 151 B12R0.234 CCOCCCCCCCC(=O)O MCULE-4393917993 [0,1,0,0,0,0|0,0,2]=3 152 B12R0.234 CNCCOCCOCCC(=O)O MCULE-5859151176 [0,1,0,0,0,0|2,0,1]=4 153 B12R0.234 COCCOCCOCCC(=O)O MCULE-3073877899 [0,1,0,0,0,0|2,0,1]=4 154 B12R0.234 N#CCCCCCCCCC(=O)O MCULE-1219422242 [0,1,0,0,0,0|0,0,3]=4 155 B12R0.234 NCCCCCCCCCC(=O)O MCULE-1324986945 [0,1,0,0,0,0|0,0,2]=3 156 B12R0.234 NCCOCCOCCCC(=O)O MCULE-2525701431 [0,1,0,0,0,0|2,0,1]=4 157 B12R0.234 O=C(O)CCCCCCCCCBr MCULE-5728710095 [0,1,0,0,0,0|0,0,2]=3 158 B12R0.234 O=C(O)CCCCCCCCCF MCULE-1907577974 [0,1,0,0,0,0|0,0,2]=3 159 B12R0.234 O=C(O)CCCCCCCCCO MCULE-3771681317 [0,1,0,0,0,0|0,0,2]=3 160 B12R0.248 CCCCCCCCC/C(=N\O)/N MCULE-5582103663 [0,1,0,0,0,0|1,0,2]=4 161 B12R0.248 CCCCCCCCCC(=O)CC MCULE-8070056231 [0,1,0,0,0,0|1,0,2]=4 162 B12R0.248 CCCCCCCCCC(=O)NC MCULE-5903490737 [0,1,0,0,0,0|1,0,2]=4 163 B12R0.248 CCCCCCCCCC(=O)NN MCULE-5225093755 [0,1,0,0,0,0|1,0,2]=4 164 B12R0.248 CCCCCCCCCC(=O)NO MCULE-3922115888 [0,1,0,0,0,0|0,0,2]=3 165 B12R0.248 CCCCCCCCCC(=O)OC MCULE-3080392178 [0,1,0,0,0,0|0,0,2]=3 166 B12R0.248 CCCCCCCSCC(=O)OC MCULE-8419218207 [0,1,0,0,0,0|1,0,2]=4 167 B12R0.248 CNCCCCCCCC(=O)OC MCULE-2073535841 [0,1,0,0,0,0|1,0,2]=4 168 B12R0.248 COC(=O)CCCCCCCCBr MCULE-8360143365 [0,1,0,0,0,0|1,0,2]=4 169 B12R0.248 COC(=O)CCCCCCCCO MCULE-5867988584 [0,1,0,0,0,0|1,0,2]=4 170 B12R0.251 CCCCCCCCC(Br)C(=O)O MCULE-2249695757 [0,1,0,0,0,0|0,0,2]=3 171 B12R0.251 CCCCCCCCC(C)C(=O)O MCULE-5055484783 [0,1,0,0,0,0|0,0,2]=3 172 B12R0.251 CCCCCCCCC(N)C(=O)O MCULE-5147614071 [0,1,0,0,0,0|0,0,2]=3 173 B12R0.251 CCCCCCCCC(O)C(=O)O MCULE-8352063977 [0,1,0,0,0,0|0,0,2]=3 174 B12R0.251 CCCCCCCC[C@@H](C)C(=O)O MCULE-7683022827 [0,1,0,0,0,0|0,0,2]=3 175 B12R0.251 CCCCCCCC[C@@H](N)C(=O)O MCULE-7339170439 [0,1,0,0,0,0|0,0,2]=3 176 B12R0.251 CCCCCCCC[C@H](N)C(=O)O MCULE-4486967061 [0,1,0,0,0,0|0,0,2]=3 177 B12R0.251 CCCCCCCC[C@H](N)C(=O)O MCULE-5097554565 [0,1,0,0,0,0|0,0,2]=3 178 B12R0.251 CCCCCCCC[C@H](O)C(=O)O MCULE-8055488376 [0,1,0,0,0,0|0,0,2]=3 179 B12R0.251 CCCCCCCC[C@H](O)C(=O)O MCULE-9794122537 [0,1,0,0,0,0|0,0,2]=3 180 B12R0.251 CCCCCCCOC(C)C(=O)O MCULE-7189109747 [0,1,0,0,0,0|1,0,2]=4 181 B12R0.251 [C@@H](N)(CCCCCCCC)C(=O)O MCULE-7027186088 [0,1,0,0,0,0|0,0,2]=3 182 B12R0.255 CCCCCCC(=O)CCC(=O)O MCULE-1506437124 [0,1,0,0,0,0|0,0,1]=2 183 B12R0.255 CCCCCCC(O)CCC(=O)O MCULE-5591309975 [0,1,0,0,0,0|0,0,2]=3 184 B12R0.255 CCCCCCC(O)CCC(=O)[O-] MCULE-4395510611 [0,1,0,0,0,0|0,0,3]=4 185 B12R0.255 CCCCCCS(=O)CCC(=O)[O-] MCULE-1159145242 [0,1,0,0,0,0|1,0,2]=4 186 B12R0.255 CCCCCCS(=O)CCC(=O)[O-] MCULE-6759587023 [0,1,0,0,0,0|1,0,2]=4 187 B12R0.255 CCCCCOC(=S)SCC(=O)O MCULE-6182340488 [0,1,0,0,0,0|2,0,0]=3 188 B12R0.255 COCCCNC(=O)CCC(=O)O MCULE-2235611201 [0,1,0,0,0,0|2,0,0]=3 189 B12R0.255 O=C(O)CCC(=O)OCCCCO MCULE-6404727181 [0,1,0,0,0,0|2,0,0]=3 190 B12R0.268 CC(=O)CCCCCCCC(=O)O MCULE-5299092348 [0,1,0,0,0,0|0,0,3]=4 191 B12R0.268 CC(C)CCCCCCCC(=O)O MCULE-5820446421 [0,1,0,0,0,0|0,0,2]=3 192 B12R0.268 CC(C)SCCCCCCC(=O)O MCULE-2523005761 [0,1,0,0,0,0|1,0,2]=4 193 B12R0.268 CC(O)CCCCCCCC(=O)O MCULE-2753582455 [0,1,0,0,0,0|0,0,2]=3 194 B12R0.277 CCCC(=O)CCCCCC(=O)O MCULE-2592304646 [0,1,0,0,0,0|0,0,3]=4 195 B12R0.277 CCCC(C)CCCCCC(=O)O MCULE-8094468025 [0,1,0,0,0,0|0,0,2]=3 196 B12R0.277 CCCC(N)CCCCCC(=O)O MCULE-6921348147 [0,1,0,0,0,0|0,0,2]=3 197 B12R1.7 CCCCCCC1CCC(=O)O1 MCULE-8274362783 [0,0,0,1,0,0|0,0,2]=3 198 B12R1.28 CCCCCC1=CC=CC(=C1)O MCULE-1153309638 [0,0,0,1,0,0|1,0,2]=4 199 B12R1.28 CCCCCC1=CC=CC(=O)O1 MCULE-5618749422 [0,0,0,1,0,0|0,0,2]=3 200 B12R1.28 CCCCCC1CCCC(=O)O1 MCULE-2527242599 [0,0,0,1,0,0|0,0,2]=3 201 B12R1.28 CCCCOC1=CC(=O)CCC1 MCULE-4416106131 [0,0,0,1,0,0|2,0,1]=4 202 B12R1.75 CCC1CCCCN1CC(=O)O MCULE-1466936975 [0,0,0,1,0,0|1,0,2]=4 203 B12R1.75 CCC1CCCCN1CC(=O)O MCULE-4786692834 [0,0,0,1,0,0|1,0,2]=4 204 B12R1.81 CCN1N=CC=C1CCC(=O)O MCULE-4222567161 [0,0,0,1,0,0|2,0,1]=4 205 B12R1.125 CC1CCCCC1OCC(=O)O MCULE-2149192016 [0,0,0,1,0,0|1,0,2]=4 206 B12R1.125 CC1CCCCN1CCC(=O)O MCULE-2264327508 [0,0,0,1,0,0|1,0,1]=3 207 B12R1.125 CC1CCCCN1CCC(=O)O MCULE-6515087928 [0,0,0,1,0,0|1,0,1]=3 208 B12R1.125 CC1CNCCC1CCC(=O)O MCULE-8609285846 [0,0,0,1,0,0|1,0,2]=4 209 B12R1.125 CN1CCCCC1CCC(=O)O MCULE-7324723252 [0,0,0,1,0,0|1,0,2]=4 210 B12R1.125 CN1CCCCC1CCC(=O)O MCULE-8814910063 [0,0,0,1,0,0|1,0,2]=4 211 B12R1.125 CN1CCCN=C1SCC(=O)O MCULE-4125873620 [0,0,0,1,0,0|3,0,0]=4 212 B12R1.125 CN1CCCN=C1SCC(=O)O MCULE-8261397979 [0,0,0,1,0,0|3,0,0]=4 213 B12R1.125 NC1CCCCC1CCC(=O)O MCULE-6538296828 [0,0,0,1,0,0|1,0,2]=4 214 B12R1.125 NC1CCCCC1CCC(=O)O MCULE-9802411985 [0,0,0,1,0,0|1,0,2]=4 215 B12R1.125 O=C(O)CCC1=CCCCC1=O MCULE-7543238538 [0,0,0,1,0,0|1,0,1]=3 216 B12R1.212 CC1CCC=CCCC1C(=O)O MCULE-6485603876 [0,0,0,1,0,0|0,0,2]=3 217 B12R1.212 NC1CCC=CCCC1C(=O)O MCULE-1180368495 [0,0,0,1,0,0|1,0,2]=4 218 B12R1.212 NC1CCC=CCCC1C(=O)O MCULE-3657089764 [0,0,0,1,0,0|1,0,2]=4 219 B12R1.212 NC1CCCCCCC1C(=O)O MCULE-2303513219 [0,0,0,1,0,0|1,0,2]=4 220 B12R1.212 NC1CCCCCCC1C(=O)O MCULE-5336927273 [0,0,0,1,0,0|1,0,2]=4 221 B12R1.212 N[C@@H]1CCC=CCC[C@@H]1C(=O)O MCULE-7804346033 [0,0,0,1,0,0|1,0,2]=4 222 B12R1.212 N[C@H]1CCC=CCC[C@H]1C(=O)O MCULE-1347595708 [0,0,0,1,0,0|1,0,2]=4 223 B12R1.212 N[C@H]1CCC=CCC[C@H]1C(=O)O MCULE-5235638295 [0,0,0,1,0,0|1,0,2]=4 224 B12R1.215 O=C1CCNCCCCCCN1 MCULE-1263100451 [0,0,0,1,0,0|2,0,1]=4 225 B12R1.252 CC(=O)CCC=C1CCCCC1 MCULE-1076445196 [0,0,0,1,0,0|1,0,0]=2 226 B12R1.252 CC(=O)CCCC1CCCCC1 MCULE-5187598883 [0,0,0,1,0,0|1,0,2]=4 227 B12R1.252 CC(=O)OCC=C1CCCCC1 MCULE-5438727226 [0,0,0,1,0,0|2,0,0]=3 228 B12R1.252 NC(=O)CCNC1CCCCC1 MCULE-6961669869 [0,0,0,1,0,0|2,0,1]=4 229 B12R1.252 O=C(Cl)CCCC1CCCCC1 MCULE-6685434994 [0,0,0,1,0,0|1,0,2]=4 230 B12R1.252 O=C(O)CCCC1CCCCC1 MCULE-8249292238 [0,0,0,1,0,0|0,0,2]=3 231 B12R1.252 O=C(O)CCCC1CCCCN1 MCULE-6744436702 [0,0,0,1,0,0|1,0,2]=4 232 B12R1.252 O=C(O)CCCC1CCCCN1 MCULE-6927833795 [0,0,0,1,0,0|1,0,2]=4 233 B12R1.252 O=C(O)CCCC1CCNCC1 MCULE-1999021566 [0,0,0,1,0,0|1,0,2]=4 234 B12R1.252 O=C(O)CCCC1CCNCC1 MCULE-5061937452 [0,0,0,1,0,0|1,0,2]=4 235 B12R1.252 O=C(O)CCCC1CCOCC1 MCULE-3067113283 [0,0,0,1,0,0|1,0,2]=4 236 B12R1.252 O=C(O)CCCN1CCCCC1 MCULE-2691750895 [0,0,0,1,0,0|1,0,1]=3 237 B12R1.252 O=C(O)CCCN1CCCCC1 MCULE-7693123644 [0,0,0,1,0,0|1,0,1]=3 238 B12R1.252 O=C(O)CCCN1CCOCC1 MCULE-3808061194 [0,0,0,1,0,0|2,0,1]=4 239 B12R1.252 O=C(O)CCCN1CCOCC1 MCULE-6111321827 [0,0,0,1,0,0|2,0,1]=4 240 B12R1.252 O=C(O)CCNC1=NCCCC1 MCULE-7368604852 [0,0,0,1,0,0|2,0,0]=3 241 B12R1.252 O=C(O)CCNC1CCCCC1 MCULE-9246786190 [0,0,0,1,0,0|1,0,1]=3 242 B12R1.252 O=C(O)CCOC1CCCCO1 MCULE-1716928477 [0,0,0,1,0,0|2,0,1]=4 243 B12R1.252 O=C(O)CCOC1CCOCC1 MCULE-9390535734 [0,0,0,1,0,0|2,0,1]=4 244 B12R1.252 O=C(O)CNCC1CCCCC1 MCULE-8613545922 [0,0,0,1,0,0|1,0,2]=4 245 B12R1.252 O=C(O)CNCC1CCCCC1 MCULE-8778334854 [0,0,0,1,0,0|1,0,2]=4 246 B12R1.252 O=C([O-])CCCC1CCCCC1 MCULE-8598802518 [0,0,0,1,0,0|0,0,3]=4 247 B12R1.255 O=C(O)CCCCN1CCCC1 MCULE-4626905282 [0,0,0,1,0,0|1,0,2]=4 248 B12R1.255 O=C(O)CCCCN1CCCC1 MCULE-9805744856 [0,0,0,1,0,0|1,0,2]=4 249 B12R1.255 O=C(O)CCOCC1CCCO1 MCULE-6575689085 [0,0,0,1,0,0|2,0,1]=4 250 B12R1.283 CCCN1CCCCC1C(=O)O MCULE-1283308328 [0,0,0,1,0,0|1,0,2]=4 251 B12R1.283 CCCN1CCCCC1C(=O)O MCULE-5666620583 [0,0,0,1,0,0|1,0,2]=4 252 B12R1.283 CCCN1CCNCC1C(=O)O MCULE-8138651228 [0,0,0,1,0,0|2,0,1]=4 253 B12R1.405 CCN1CCCCCC1C(=O)O MCULE-2326419949 [0,0,0,1,0,0|1,0,2]=4 254 B12R1.1343 CC(=O)CCC1CCCCCC1 MCULE-1678869086 [0,0,0,1,0,0|1,0,2]=4 255 B12R1.1343 O=C(O)CCC1CCCCCC1 MCULE-3221739644 [0,0,0,1,0,0|0,0,2]=3 256 B12R1.1343 O=C(O)CCN1CCCCCC1 MCULE-6902441701 [0,0,0,1,0,0|1,0,1]=3 257 B12R1.1343 O=C(O)CCN1CCCCCC1 MCULE-8652213601 [0,0,0,1,0,0|1,0,1]=3 258 B12R1.1343 O=C(O)CNC1=NCCCCC1 MCULE-2991973710 [0,0,0,1,0,0|2,0,0]=3 259 B12R1.1343 O=C(O)CNC1CCCCCC1 MCULE-3407473628 [0,0,0,1,0,0|1,0,2]=4 260 B12R1.1343 O=C(O)COC1CCCCCC1 MCULE-7705697205 [0,0,0,1,0,0|1,0,2]=4 261 B12R1.1392 O=C(O)CN1CCCCCCC1 MCULE-5706680135 [0,0,0,1,0,0|1,0,2]=4 262 B9R0.2 C#CCCCCCC(=O)O MCULE-4594227399 [2,0,0,0,0,0|0,0,2]=4 263 B9R0.2 C(=C/COC(=O)C)\CCC MCULE-6477561163 [2,0,0,0,0,0|2,0,0]=4 264 B9R0.2 C=C(Br)CCCCCCC MCULE-7091252982 [2,0,0,0,0,0|2,0,0]=4 265 B9R0.2 C=C(C)CCCCCCC MCULE-6074571960 [2,0,0,0,0,0|2,0,0]=4 266 B9R0.2 C=C(Cl)CCCCCCC MCULE-4513303196 [2,0,0,0,0,0|2,0,0]=4 267 B9R0.2 C=CCCCCCC(=O)O MCULE-6571932731 [2,0,0,0,0,0|0,0,2]=4 268 B9R0.2 CC(=O)CCCCCCN MCULE-5842243037 [2,0,0,0,0,0|2,0,0]=4 269 B9R0.2 CC(=O)CCCCCCN MCULE-6017408205 [2,0,0,0,0,0|2,0,0]=4 270 B9R0.2 CCC/C=C/C=C/C(=O)O MCULE-7747589239 [2,0,0,0,0,0|0,0,2]=4 271 B9R0.2 CCCC/C=C/CC(=O)O MCULE-3008379579 [2,0,0,0,0,0|0,0,0]=2 272 B9R0.2 CCCC=CC=CC(=O)O MCULE-5198543935 [2,0,0,0,0,0|0,0,2]=4 273 B9R0.2 CCCC=CCCC(=O)O MCULE-8091554117 [2,0,0,0,0,0|0,0,0]=2 274 B9R0.2 CCCC=CCOC(=O)C MCULE-1950142599 [2,0,0,0,0,0|2,0,0]=4 275 B9R0.2 CCCCC#CCC(=O)O MCULE-2685341100 [2,0,0,0,0,0|0,0,2]=4 276 B9R0.2 CCCCC/C=C/B(O)O MCULE-4174871813 [2,0,0,0,0,0|1,0,1]=4 277 B9R0.2 CCCCC/C=C/C(=O)C MCULE-4810438787 [2,0,0,0,0,0|1,0,0]=3 278 B9R0.2 CCCCC/C=C/C(=O)O MCULE-5661205729 [2,0,0,0,0,0|0,0,0]=2 279 B9R0.2 CCCCC=CCC(=O)N MCULE-7054762763 [2,0,0,0,0,0|1,0,0]=3 280 B9R0.2 CCCCC=CCC(=O)O MCULE-1531958630 [2,0,0,0,0,0|0,0,0]=2 281 B9R0.2 CCCCCC#CC(=O)O MCULE-1860076106 [2,0,0,0,0,0|0,0,2]=4 282 B9R0.2 CCCCCC=CB(O)O MCULE-8986052883 [2,0,0,0,0,0|1,0,1]=4 283 B9R0.2 CCCCCC=CC(=O)C MCULE-2447853309 [2,0,0,0,0,0|1,0,0]=3 284 B9R0.2 CCCCCC=CC(=O)O MCULE-6969617806 [2,0,0,0,0,0|0,0,0]=2 285 B9R0.2 CCCCCCCB(O)O MCULE-2487835239 [2,0,0,0,0,0|1,0,1]=4 286 B9R0.2 CCCCCCCC(=N)N MCULE-8703701987 [2,0,0,0,0,0|2,0,0]=4 287 B9R0.2 CCCCCCCC(=O)C MCULE-9635928766 [2,0,0,0,0,0|1,0,0]=3 288 B9R0.2 CCCCCCCC(=O)Cl MCULE-9979489292 [2,0,0,0,0,0|1,0,0]=3 289 B9R0.2 CCCCCCCC(=O)N MCULE-8774193381 [2,0,0,0,0,0|1,0,0]=3 290 B9R0.2 CCCCCCCC(=O)O MCULE-5193957469 [2,0,0,0,0,0|0,0,0]=2 291 B9R0.2 CCCCCCCC(=O)[O-] MCULE-3608650495 [2,0,0,0,0,0|0,0,1]=3 292 B9R0.2 CCCCCCCC(=O)[O-] MCULE-8227046407 [2,0,0,0,0,0|0,0,1]=3 293 B9R0.2 CCCCCCCC(C)O MCULE-5218382339 [2,0,0,0,0,0|1,0,1]=4 294 B9R0.2 CCCCCCCN(=O)=O MCULE-3345030651 [2,0,0,0,0,0|1,0,1]=4 295 B9R0.2 CCCCCCC[C@H](C)O MCULE-6211597611 [2,0,0,0,0,0|1,0,1]=4 296 B9R0.2 CCCCCCNC(=O)N MCULE-4236638652 [2,0,0,0,0,0|2,0,0]=4 297 B9R0.2 CCCCCCOC(=O)C MCULE-7353613022 [2,0,0,0,0,0|2,0,0]=4 298 B9R0.2 CCCCCCOC(=O)Cl MCULE-3135055168 [2,0,0,0,0,0|2,0,0]=4 299 B9R0.2 CCCCCCOC(=O)N MCULE-3909923308 [2,0,0,0,0,0|2,0,0]=4 300 B9R0.2 CCCCCNCC(=O)N MCULE-1817354788 [2,0,0,0,0,0|2,0,0]=4 301 B9R0.2 CCCCCNCC(=O)N MCULE-5558188497 [2,0,0,0,0,0|2,0,0]=4 302 B9R0.2 CCCCCOCC(=O)O MCULE-8190672624 [2,0,0,0,0,0|1,0,0]=3 303 B9R0.2 CCCCOCCC(=O)O MCULE-3735085695 [2,0,0,0,0,0|1,0,0]=3 304 B9R0.2 CCCCSCCC(=O)O MCULE-7414288717 [2,0,0,0,0,0|1,0,0]=3 305 B9R0.2 CCCOCCCC(=O)O MCULE-8829980105 [2,0,0,0,0,0|1,0,0]=3 306 B9R0.2 CCCSCCCC(=O)O MCULE-9850452520 [2,0,0,0,0,0|1,0,0]=3 307 B9R0.2 CCNCCCCC(=O)O MCULE-1386195341 [2,0,0,0,0,0|1,0,0]=3 308 B9R0.2 CCNCCCCC(=O)O MCULE-1922836400 [2,0,0,0,0,0|1,0,0]=3 309 B9R0.2 CCOCCCCC(=O)O MCULE-8522289104 [2,0,0,0,0,0|1,0,0]=3 310 B9R0.2 CCOCCOCC(=O)O MCULE-2273372397 [2,0,0,0,0,0|2,0,0]=4 311 B9R0.2 CNCCCCCC(=O)O MCULE-8016435275 [2,0,0,0,0,0|1,0,0]=3 312 B9R0.2 CNCCOCCC(=O)O MCULE-6581967922 [2,0,0,0,0,0|2,0,0]=4 313 B9R0.2 COCCCCCC(=O)O MCULE-1769987918 [2,0,0,0,0,0|1,0,0]=3 314 B9R0.2 COCCCOCC(=O)O MCULE-7774967166 [2,0,0,0,0,0|2,0,0]=4 315 B9R0.2 COCCNCCC(=O)O MCULE-3571993123 [2,0,0,0,0,0|2,0,0]=4 316 B9R0.2 COCCOCCC(=O)O MCULE-5125891492 [2,0,0,0,0,0|2,0,0]=4 317 B9R0.2 CSCCCCCC(=O)O MCULE-9069370044 [2,0,0,0,0,0|1,0,0]=3 318 B9R0.2 C[NH2+]CCCCCC(=O)O MCULE-8971339830 [2,0,0,0,0,0|1,0,0]=3 319 B9R0.2 N#CCCCCCC(=O)O MCULE-6510846674 [2,0,0,0,0,0|1,0,1]=4 320 B9R0.2 NC(=O)CCCCCCO MCULE-7432797193 [2,0,0,0,0,0|2,0,0]=4 321 B9R0.2 NCCCCCCC(=O)N MCULE-9587339996 [2,0,0,0,0,0|2,0,0]=4 322 B9R0.2 NCCCCCCC(=O)O MCULE-6089872609 [2,0,0,0,0,0|1,0,0]=3 323 B9R0.2 NCCCCCCC(=O)O MCULE-7769232328 [2,0,0,0,0,0|1,0,0]=3 324 B9R0.2 NOCCCCCC(=O)O MCULE-3221083368 [2,0,0,0,0,0|2,0,0]=4 325 B9R0.2 NOCCCCCC(=O)O MCULE-6721085396 [2,0,0,0,0,0|2,0,0]=4 326 B9R0.2 NOCCCCCC(=O)O MCULE-7170875932 [2,0,0,0,0,0|2,0,0]=4 327 B9R0.2 O=C(O)CCCCCCBr MCULE-3980379488 [2,0,0,0,0,0|1,0,0]=3 328 B9R0.2 O=C(O)CCCCCCF MCULE-7539264820 [2,0,0,0,0,0|1,0,0]=3 329 B9R0.2 O=C(O)CCCCCCO MCULE-7270362706 [2,0,0,0,0,0|1,0,0]=3 330 B9R0.2 O=C(O)CCCCCCS MCULE-5659986053 [2,0,0,0,0,0|1,0,0]=3 331 B9R0.2 O=C(O)CCCNCCO MCULE-8202070706 [2,0,0,0,0,0|2,0,0]=4 332 B9R0.2 O=C(O)CNCCCCO MCULE-6377863888 [2,0,0,0,0,0|2,0,0]=4 333 B9R0.2 O=CCCCCCC(=O)O MCULE-1442157793 [2,0,0,0,0,0|1,0,1]=4 334 B9R0.45 C=CCCCCCCCC MCULE-1391753135 [2,0,0,0,0,0|1,0,1]=4 335 B9R0.45 CCC=CCC=CCCO MCULE-8061689428 [2,0,0,0,0,0|0,0,2]=4 336 B9R0.45 CCCC/C=C/C=C/C=O MCULE-8109760299 [2,0,0,0,0,0|0,0,2]=4 337 B9R0.45 CCCC/C=C/CCCC MCULE-5215613168 [2,0,0,0,0,0|1,0,1]=4 338 B9R0.45 CCCC/C=C\CCCC MCULE-7961413462 [2,0,0,0,0,0|1,0,1]=4 339 B9R0.45 CCCCC/C=C\CCO MCULE-4434068395 [2,0,0,0,0,0|0,0,0]=2 340 B9R0.45 CCCCC=CC=CC=O MCULE-6291163980 [2,0,0,0,0,0|0,0,2]=4 341 B9R0.45 CCCCC=CCCCC MCULE-4261429100 [2,0,0,0,0,0|1,0,1]=4 342 B9R0.45 CCCCCC#CCCO MCULE-7189083538 [2,0,0,0,0,0|0,0,2]=4 343 B9R0.45 CCCCCC/C=C/C=O MCULE-5281758989 [2,0,0,0,0,0|0,0,2]=4 344 B9R0.45 CCCCCC/C=C/CO MCULE-1969100525 [2,0,0,0,0,0|0,0,2]=4 345 B9R0.45 CCCCCC/C=C\CO MCULE-4688229291 [2,0,0,0,0,0|0,0,2]=4 346 B9R0.45 CCCCCC=CCCO MCULE-4969061256 [2,0,0,0,0,0|0,0,0]=2 347 B9R0.45 CCCCCCC=CC=O MCULE-8114348514 [2,0,0,0,0,0|0,0,2]=4 348 B9R0.45 CCCCCCC=CCO MCULE-8666977236 [2,0,0,0,0,0|0,0,2]=4 349 B9R0.45 CCCCCCCCC=O MCULE-9888879952 [2,0,0,0,0,0|0,0,1]=3 350 B9R0.45 CCCCCCCCCO MCULE-4020281400 [2,0,0,0,0,0|0,0,2]=4 351 B9R0.45 CCCCCCCNC=O MCULE-7638122818 [2,0,0,0,0,0|1,0,1]=4 352 B9R0.45 CCCCCCCOC=O MCULE-6396391540 [2,0,0,0,0,0|1,0,1]=4 353 B9R0.45 CCCCCCNCCO MCULE-6828996225 [2,0,0,0,0,0|1,0,1]=4 354 B9R0.45 CCCCCCOCCO MCULE-1339769602 [2,0,0,0,0,0|1,0,1]=4 355 B9R0.45 CCCCCCSCCO MCULE-3331753796 [2,0,0,0,0,0|1,0,1]=4 356 B9R0.45 CCCCCOCCCO MCULE-3048029561 [2,0,0,0,0,0|1,0,1]=4 357 B11R0.2 CCC/C=C\CC(N)CC(=O)O MCULE-9494795833 [1,1,0,0,0,0|0,0,2]=4 358 B11R0.2 CCCCCCC(=O)CC(=O)C MCULE-1947947048 [1,1,0,0,0,0|1,0,1]=4 359 B11R0.2 CCCCCCC(=O)CC(=O)O MCULE-9513160139 [1,1,0,0,0,0|0,0,1]=3 360 B11R0.2 CCCCCCC(C)CC(=O)O MCULE-4777686649 [1,1,0,0,0,0|0,0,1]=3 361 B11R0.2 CCCCCCC(N)CC(=O)O MCULE-6987665804 [1,1,0,0,0,0|0,0,1]=3 362 B11R0.2 CCCCCCC(N)CC(=O)O MCULE-8299240038 [1,1,0,0,0,0|0,0,1]=3 363 B11R0.2 CCCCCCC(O)CC(=O)O MCULE-8278468713 [1,1,0,0,0,0|0,0,1]=3 364 B11R0.2 CCCCCCN(C)CC(=O)O MCULE-5638671142 [1,1,0,0,0,0|1,0,1]=4 365 B11R0.2 CCCCCCN(C)CC(=O)O MCULE-6664823722 [1,1,0,0,0,0|1,0,1]=4 366 B11R0.2 CCCCCOC(=O)CC(=O)C MCULE-7604289070 [1,1,0,0,0,0|2,0,0]=4 367 B11R0.30 C=C(C)CCCCCCC(=O)O MCULE-4818988928 [1,1,0,0,0,0|0,0,2]=4 368 B11R0.30 CC(=O)CCCCCCC(=O)O MCULE-6390414263 [1,1,0,0,0,0|0,0,2]=4 369 B11R0.30 CC(C)CCCCCCC(=O)O MCULE-7144406547 [1,1,0,0,0,0|0,0,1]=3 370 B11R0.30 CC(O)CCCCCCC(=O)O MCULE-7012579621 [1,1,0,0,0,0|0,0,1]=3 371 B11R0.30 CN(C)CCCCCCC(=O)O MCULE-5163840640 [1,1,0,0,0,0|1,0,1]=4 372 B11R0.30 CN(C)CCCCCCC(=O)O MCULE-5248234243 [1,1,0,0,0,0|1,0,1]=4 373 B11R0.30 O=C(O)CC/C=C/CCC(=O)O MCULE-1948311077 [1,1,0,0,0,0|1,0,1]=4 374 B11R0.30 O=C(O)CCC=CCCC(=O)O MCULE-2875946233 [1,1,0,0,0,0|1,0,1]=4 375 B11R0.40 C=C(C=O)CCCCCCCC MCULE-1736101056 [1,1,0,0,0,0|1,0,1]=4 376 B11R0.40 CCCCC/C=C/CC(=O)OC MCULE-2579151246 [1,1,0,0,0,0|0,0,0]=2 377 B11R0.40 CCCCCCC=CC(=O)OC MCULE-3102057992 [1,1,0,0,0,0|0,0,2]=4 378 B11R0.40 CCCCCCCCC(=O)C=O MCULE-2896760493 [1,1,0,0,0,0|0,0,2]=4 379 B11R0.40 CCCCCCCCC(=O)CC MCULE-9958837588 [1,1,0,0,0,0|1,0,1]=4 380 B11R0.40 CCCCCCCCC(=O)NN MCULE-6560373796 [1,1,0,0,0,0|1,0,1]=4 381 B11R0.40 CCCCCCCCC(=O)NO MCULE-7098688577 [1,1,0,0,0,0|0,0,1]=3 382 B11R0.40 CCCCCCCCC(=O)OC MCULE-4760106079 [1,1,0,0,0,0|0,0,1]=3 383 B11R0.40 COC(=O)CCCCCCCBr MCULE-5537473467 [1,1,0,0,0,0|1,0,1]=4 384 B11R0.40 COC(=O)CCCCCCCCl MCULE-1981178961 [1,1,0,0,0,0|1,0,1]=4 385 B11R0.40 COC(=O)CCCCCCCN MCULE-3361449332 [1,1,0,0,0,0|1,0,1]=4 386 B11R0.40 COC(=O)CCCCCCCN MCULE-5266446188 [1,1,0,0,0,0|1,0,1]=4 387 B11R0.40 COC(=O)CCCCCCCO MCULE-4577508073 [1,1,0,0,0,0|1,0,1]=4 388 B11R0.40 COCCCNCCC(=O)OC MCULE-4020268298 [1,1,0,0,0,0|2,0,0]=4 389 B11R0.42 CCCCCCCC(C)C(=O)C MCULE-1764436007 [1,1,0,0,0,0|1,0,1]=4 390 B11R0.42 CCCCCCCC(C)C(=O)O MCULE-1400601550 [1,1,0,0,0,0|0,0,1]=3 391 B11R0.42 CCCCCCCC(N)C(=O)O MCULE-4518631723 [1,1,0,0,0,0|0,0,1]=3 392 B11R0.42 CCCCCCC[C@@H](N)C(=O)O MCULE-7367412741 [1,1,0,0,0,0|0,0,1]=3 393 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4025079053 [1,1,0,0,0,0|0,0,1]=3 394 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4061410149 [1,1,0,0,0,0|0,0,1]=3 395 B11R0.42 CCCCCCOC(C)C(=O)O MCULE-5771954047 [1,1,0,0,0,0|1,0,1]=4 396 B11R0.42 CCCCSCCC(N)C(=O)O MCULE-9943276345 [1,1,0,0,0,0|1,0,1]=4 397 B11R0.42 CCCCSCC[C@@H](N)C(=O)O MCULE-5947369888 [1,1,0,0,0,0|1,0,1]=4 398 B11R0.42 CCCCSCC[C@H](N)C(=O)O MCULE-6636715475 [1,1,0,0,0,0|1,0,1]=4 399 B11R0.42 CCOCCNCC(C)C(=O)O MCULE-1411337428 [1,1,0,0,0,0|2,0,0]=4 400 B11R0.42 CCOCCNCC(C)C(=O)O MCULE-9110675077 [1,1,0,0,0,0|2,0,0]=4 401 B11R0.46 CCCCCC(=O)CCC(=O)O MCULE-5964650416 [1,1,0,0,0,0|0,0,0]=2 402 B11R0.46 CCCCCC(=O)NCC(=O)O MCULE-3960557642 [1,1,0,0,0,0|1,0,0]=3 403 B11R0.46 CCCCCC(C)CCC(=O)O MCULE-3703948906 [1,1,0,0,0,0|0,0,1]=3 404 B11R0.46 CCCCCC(O)/C=C/C(=O)O MCULE-9091234698 [1,1,0,0,0,0|0,0,2]=4 405 B11R0.46 CCCCCC(O)C=CC(=O)O MCULE-5393476184 [1,1,0,0,0,0|0,0,2]=4 406 B11R0.46 CCCCCC(O)CCC(=O)N MCULE-6288630989 [1,1,0,0,0,0|1,0,1]=4 407 B11R0.46 CCCCCN(C)CCC(=O)O MCULE-4617741875 [1,1,0,0,0,0|1,0,0]=3 408 B11R0.46 CCCCCN(C)CCC(=O)O MCULE-9023573702 [1,1,0,0,0,0|1,0,0]=3 409 B11R0.46 CCCCNC(=O)C=CC(=O)O MCULE-6680900047 [1,1,0,0,0,0|1,0,1]=4 410 B11R0.46 CCCCNC(=O)CCC(=O)O MCULE-8929331080 [1,1,0,0,0,0|1,0,0]=3 411 B11R0.46 CCCCOC(=O)CCC(=O)C MCULE-7095079350 [1,1,0,0,0,0|2,0,0]=4 412 B11R0.46 COCCNC(=O)CCC(=O)O MCULE-5237282596 [1,1,0,0,0,0|2,0,0]=4 413 B11R0.46 COCCOC(=O)CCC(=O)O MCULE-8329962069 [1,1,0,0,0,0|2,0,0]=4 414 B11R0.46 NCCCNC(=O)CCC(=O)O MCULE-6552625300 [1,1,0,0,0,0|2,0,0]=4 415 B11R0.111 CCC(=O)CCCCCC(=O)O MCULE-8603570043 [1,1,0,0,0,0|0,0,2]=4 416 B11R0.111 CCC(C)CCCCCC(=O)O MCULE-5195758876 [1,1,0,0,0,0|0,0,1]=3 417 B11R0.147 CCCCC(=O)CCCC(=O)O MCULE-4828153043 [1,1,0,0,0,0|0,0,1]=3 418 B11R0.147 CCCCC(C)CCCC(=O)O MCULE-8642965123 [1,1,0,0,0,0|0,0,1]=3 419 B11R0.147 CCCNC(=O)CCCC(=O)O MCULE-5121990390 [1,1,0,0,0,0|1,0,1]=4 420 B11R0.159 CCCCCCCCP(=O)(O)O MCULE-2397771742 [1,1,0,0,0,0|1,0,1]=4 421 B11R0.159 CCCCCCCCS(=O)(=O)O MCULE-2083628454 [1,1,0,0,0,0|1,0,1]=4 422 B11R0.176 CCCC(=O)CCCCC(=O)O MCULE-8623857142 [1,1,0,0,0,0|0,0,2]=4 423 B11R0.176 O=C(O)CCCCC(Cl)CCCl MCULE-3578422199 [1,1,0,0,0,0|1,0,1]=4 424 B11R0.176 O=C(O)CCCCC(O)CCO MCULE-6457534836 [1,1,0,0,0,0|1,0,1]=4 425 B11R0.176 O=C(O)CCCCC(S)CCS MCULE-3176735035 [1,1,0,0,0,0|1,0,1]=4 426 B11R0.176 O=C(O)CCCC[C@@H](S)CCS MCULE-1048565718 [1,1,0,0,0,0|1,0,1]=4 427 B11R0.3 C=CCCCC=CCNCCC MCULE-7102803637 [1,1,0,0,0,0|2,0,0]=4 428 B11R0.3 CCCC/C=C\CCCCCC MCULE-3573509087 [1,1,0,0,0,0|1,0,1]=4 429 B11R0.3 CCCCC=CCCCCCC MCULE-5218594928 [1,1,0,0,0,0|1,0,1]=4 430 B11R0.3 CCCCCC/C=C/C=C/C=O MCULE-7651195452 [1,1,0,0,0,0|0,0,2]=4 431 B11R0.3 CCCCCCC=CC=CC=O MCULE-3891394680 [1,1,0,0,0,0|0,0,2]=4 432 B11R0.3 CCCCCCC=CCCC=O MCULE-4819548256 [1,1,0,0,0,0|0,0,0]=2 433 B11R0.3 CCCCCCCCCCC=O MCULE-2842613213 [1,1,0,0,0,0|0,0,2]=4 434 B11R0.3 CCCCCCCCCOC=O MCULE-1616501735 [1,1,0,0,0,0|0,0,2]=4 435 B11R0.3 COCCCCCCCCC=O MCULE-4530790122 [1,1,0,0,0,0|0,0,2]=4 436 B11R0.3 O=CCCCCCCCCCBr MCULE-3317881097 [1,1,0,0,0,0|0,0,2]=4 437 B13R0.62 CCCCCCCC(CC)CC(=O)O MCULE-4822120730 [0,2,0,0,0,0|0,0,2]=4 438 B13R0.274 CCCCCCCC(O)CC(=O)OC MCULE-2537921032 [0,2,0,0,0,0|0,0,2]=4 439 B13R0.274 CCCCCCC[C@@H](O)CC(=O)OC MCULE-4586199421 [0,2,0,0,0,0|0,0,2]=4 440 B13R0.274 CCCCCCC[C@@H](O)CC(=O)OC MCULE-7045432024 [0,2,0,0,0,0|0,0,2]=4 441 B13R0.274 CCCCCCNC(C)CC(=O)OC MCULE-2373355014 [0,2,0,0,0,0|1,0,1]=4 442 B13R0.333 CCCCCC(O)CC(O)CC(=O)O MCULE-5571258641 [0,2,0,0,0,0|0,0,2]=4 443 B13R0.333 CCCCC[C@@H](O)C[C@@H](O)CC(=O)O MCULE-9093008429 [0,2,0,0,0,0|0,0,2]=4 444 B13R0.335 CC(CCCCCCCN)CC(=O)O MCULE-2748735108 [0,2,0,0,0,0|0,0,2]=4 445 B13R0.335 CC(CCCCCCCN)CC(=O)O MCULE-8926877324 [0,2,0,0,0,0|0,0,2]=4 446 B13R0.335 CCCCCCCCC(C)CC(=O)O MCULE-1071013190 [0,2,0,0,0,0|0,0,2]=4 447 B13R0.335 CCCCCCCCC(O)CC(=O)O MCULE-3464929288 [0,2,0,0,0,0|0,0,2]=4 448 B13R0.188 CCCCCC(=O)CCCCC(=O)O MCULE-9827668199 [0,2,0,0,0,0|0,0,1]=3 449 B13R0.188 CCCCCC(=O)SCCNC(=O)C MCULE-2038157928 [0,2,0,0,0,0|2,0,0]=4 450 B13R0.196 CCCCCC(=O)NCCS(=O)(=O)O MCULE-9008979390 [0,2,0,0,0,0|2,0,0]=4 451 B13R0.88 CCCC(=O)CCCCCCC(=O)O MCULE-7655272143 [0,2,0,0,0,0|0,0,2]=4 452 B13R0.201 CCC(C)CCCCCCC(=O)OC MCULE-5985049144 [0,2,0,0,0,0|0,0,2]=4 453 B13R0.1 CCCCCCC(=O)CCCC(=O)O MCULE-4056750992 [0,2,0,0,0,0|0,0,1]=3 454 B13R0.1 CCCCCCC(O)CCCC(=O)O MCULE-1012275180 [0,2,0,0,0,0|0,0,2]=4 455 B13R0.339 CCCCNC(=O)CCC(N)C(=O)O MCULE-5070977776 [0,2,0,0,0,0|1,0,1]=4 456 B13R0.1398 CC(C)CCCC(C)CCCC(=O)O MCULE-2954801094 [0,2,0,0,0,0|0,0,2]=4 457 B13R0.1398 CC(C)CCNC(=O)CCCC(=O)O MCULE-2318057712 [0,2,0,0,0,0|1,0,1]=4 458 B13R0.54 C#CCCCCCCCCCC(=O)O MCULE-3493346393 [0,2,0,0,0,0|0,0,2]=4 459 B13R0.54 C=CCCCCCCCCCC(=O)O MCULE-6330367894 [0,2,0,0,0,0|0,0,2]=4 460 B13R0.54 CCCCCC/C=C\CCCC(=O)O MCULE-9454929405 [0,2,0,0,0,0|0,0,0]=2 461 B13R0.54 CCCCCCC=CCCCC(=O)O MCULE-1299148519 [0,2,0,0,0,0|0,0,0]=2 462 B13R0.54 CCCCCCCC=CCOC(=O)C MCULE-7547263092 [0,2,0,0,0,0|2,0,0]=4 463 B13R0.54 CCCCCCCCC/C=C/C(=O)O MCULE-8068052432 [0,2,0,0,0,0|0,0,2]=4 464 B13R0.54 CCCCCCCCCC=CC(=O)O MCULE-5397880976 [0,2,0,0,0,0|0,0,2]=4 465 B13R0.54 CCCCCCCCCCCC(=O)O MCULE-2795129925 [0,2,0,0,0,0|0,0,2]=4 466 B13R0.54 CCCCCCCCOCCC(=O)O MCULE-1079344518 [0,2,0,0,0,0|0,0,2]=4 467 B13R0.54 CCCCCCCCSCCC(=O)O MCULE-4405987007 [0,2,0,0,0,0|0,0,2]=4 468 B13R0.54 CCCCCNCCCCCC(=O)O MCULE-7344928222 [0,2,0,0,0,0|0,0,2]=4 469 B13R0.54 CCCCSCCCCCCC(=O)O MCULE-8131072528 [0,2,0,0,0,0|0,0,2]=4 470 B13R0.54 COCCOCCOCCCC(=O)O MCULE-5833620933 [0,2,0,0,0,0|1,0,1]=4 471 B13R0.54 NCCCCCCCCCCC(=O)O MCULE-1751028538 [0,2,0,0,0,0|0,0,2]=4 472 B13R0.54 O=C(O)CCCCCCCCCCBr MCULE-9911407009 [0,2,0,0,0,0|0,0,2]=4 473 B13R0.54 O=C(O)CCCCCCCCCCCl MCULE-7412307649 [0,2,0,0,0,0|0,0,2]=4 474 B13R0.54 O=C(O)CCCCCCCCCCO MCULE-8232897652 [0,2,0,0,0,0|0,0,2]=4 475 B13R0.54 O=C(O)CCCCCCCCCCS MCULE-9528951895 [0,2,0,0,0,0|0,0,2]=4 476 B13R0.54 O=C(O)CCCCCCCCCOO MCULE-9572784167 [0,2,0,0,0,0|0,0,2]=4 477 B13R0.119 CCCCC(=O)CCCCCC(=O)O MCULE-7182880008 [0,2,0,0,0,0|0,0,2]=4 478 B13R0.147 CCCCCCCCCCC(=O)OC MCULE-4524637821 [0,2,0,0,0,0|0,0,2]=4 479 B13R0.147 CCCCCCCNCCC(=O)OC MCULE-4012206227 [0,2,0,0,0,0|0,0,2]=4 480 B13R0.147 COC(=O)CCCCCCCCCBr MCULE-4125973468 [0,2,0,0,0,0|0,0,2]=4 481 B13R0.147 COC(=O)CCCCCCCCCN MCULE-2996113147 [0,2,0,0,0,0|0,0,2]=4 482 B13R0.147 COC(=O)CCCCCCCCCN MCULE-5692626711 [0,2,0,0,0,0|0,0,2]=4 483 B13R0.147 COC(=O)CCCCCCCCCO MCULE-2254055588 [0,2,0,0,0,0|0,0,2]=4 484 B13R0.150 CCCCCCCCCC(C)C(=O)O MCULE-6924124828 [0,2,0,0,0,0|0,0,2]=4 485 B13R0.150 CCCCCCCCCC(N)C(=O)O MCULE-2123708638 [0,2,0,0,0,0|0,0,2]=4 486 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O MCULE-7136532768 [0,2,0,0,0,0|0,0,2]=4 487 B13R0.150 [C@H](N)(CCCCCCCCC)C(=O)O MCULE-9801560462 [0,2,0,0,0,0|0,0,2]=4 488 B13R0.154 CCCCCCCC(=O)CCC(=O)O MCULE-3369465256 [0,2,0,0,0,0|0,0,1]=3 489 B13R0.154 CCCCCCCC(=O)NCC(=O)O MCULE-7832794516 [0,2,0,0,0,0|1,0,1]=4 490 B13R0.154 CCCCCCNC(=O)CCC(=O)O MCULE-4928328474 [0,2,0,0,0,0|0,0,1]=3 491 B13R0.179 CC(=O)CCCCCCCCC(=O)O MCULE-3207729356 [0,2,0,0,0,0|0,0,2]=4 492 B13R0.179 CC(C)CCCCCCCCC(=O)O MCULE-3966843726 [0,2,0,0,0,0|0,0,2]=4 493 B13R0.179 CC(N)CCCCCCCCC(=O)O MCULE-2236874517 [0,2,0,0,0,0|0,0,2]=4 494 B13R0.179 CC(O)CCCC/C=C/CCC(=O)O MCULE-4184050410 [0,2,0,0,0,0|0,0,0]=2 495 B13R0.179 O=C(O)CCCC=CCCCC(=O)O MCULE-1881964892 [0,2,0,0,0,0|1,0,1]=4 496 B13R0.202 CCC(C)CCCCCCCC(=O)O MCULE-1986520602 [0,2,0,0,0,0|0,0,2]=4 497 B13R0.202 COC(=O)CCCCCCCC(C)C MCULE-3325371997 [0,2,0,0,0,0|0,0,2]=4 498 B13R0.2 C(=CCCC(=O)OCC)CCCCC MCULE-7720982156 [0,2,0,0,0,0|0,0,0]=2 499 B13R0.2 C=COC(=O)CCCCCCCCC MCULE-6857715884 [0,2,0,0,0,0|0,0,2]=4 500 B13R0.2 CCCCC/C=C/CCC(=O)OCC MCULE-2528964118 [0,2,0,0,0,0|0,0,0]=2 501 B13R0.2 CCCCC/C=C\C=C\C(=O)OCC MCULE-3578089676 [0,2,0,0,0,0|0,0,2]=4 502 B13R0.2 CCCCCC=CC=CC(=O)OCC MCULE-6246344331 [0,2,0,0,0,0|0,0,2]=4 503 B13R0.2 CCCCCCCCCC(=O)OCC MCULE-9201389917 [0,2,0,0,0,0|0,0,2]=4 504 B13R0.2 CCCCCCCCCC(=O)OCCl MCULE-4204116817 [0,2,0,0,0,0|0,0,2]=4 505 B13R0.2 CCCCCCCCCC(=O)OCI MCULE-3516770567 [0,2,0,0,0,0|0,0,2]=4 506 B13R0.2 CCCCCCNCCC(=O)OCC MCULE-8059203538 [0,2,0,0,0,0|1,0,1]=4 507 B13R0.340 CCCCCCCCC(O)C(=O)OC MCULE-6749847751 [0,2,0,0,0,0|0,0,2]=4 508 B13R0.340 CCCCCCNCC(C)C(=O)OC MCULE-5057262725 [0,2,0,0,0,0|1,0,1]=4 509 B13R0.1170 CCCCCCC(O)CCC(=O)OC MCULE-3812992050 [0,2,0,0,0,0|0,0,2]=4 510 B13R0.61 CCCCCCCCC(CC)C(=O)O MCULE-6163755618 [0,2,0,0,0,0|0,0,2]=4 511 B11R1.24 CCCCC1=CC(=O)CCC1 MCULE-9500356684 [1,0,0,1,0,0|1,0,1]=4 512 B11R1.24 CCCCC1CC(=O)CCN1 MCULE-2065402619 [1,0,0,1,0,0|2,0,0]=4 513 B11R1.24 CCCCC1CC(=O)CCN1 MCULE-4896789576 [1,0,0,1,0,0|2,0,0]=4 514 B11R1.24 CCCCC1CCCC(=O)O1 MCULE-5855223168 [1,0,0,1,0,0|0,0,1]=3 515 B11R1.27 CCCCCC1C=CC(=O)O1 MCULE-7215901584 [1,0,0,1,0,0|0,0,2]=4 516 B11R1.27 CCCCCC1CCC(=O)O1 MCULE-8658118167 [1,0,0,1,0,0|0,0,1]=3 517 B11R1.27 CCCCC[C@H]1CCC(=O)O1 MCULE-5773106371 [1,0,0,1,0,0|0,0,1]=3 518 B11R1.27 O=C1CCC(O1)CCCCCl MCULE-9831879802 [1,0,0,1,0,0|1,0,1]=4 519 B11R1.53 CCC1CCCCC1C(=O)O MCULE-7668550184 [1,0,0,1,0,0|0,0,1]=3 520 B11R1.53 CCN1CCCCC1C(=O)O MCULE-4498923070 [1,0,0,1,0,0|1,0,1]=4 521 B11R1.53 CCN1CCCCC1C(=O)O MCULE-7899898030 [1,0,0,1,0,0|1,0,1]=4 522 B11R1.53 CCN1CCOCC1C(=O)O MCULE-5700522196 [1,0,0,1,0,0|2,0,0]=4 523 B11R1.53 COC1CCCCC1C(=O)O MCULE-6019948868 [1,0,0,1,0,0|1,0,1]=4 524 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O MCULE-1165595049 [1,0,0,1,0,0|1,0,1]=4 525 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O MCULE-4991619146 [1,0,0,1,0,0|1,0,1]=4 526 B11R1.86 CC1CCCCC1CC(=O)N MCULE-3919731608 [1,0,0,1,0,0|1,0,1]=4 527 B11R1.86 CC1CCCCC1CC(=O)O MCULE-8512937446 [1,0,0,1,0,0|0,0,1]=3 528 B11R1.86 CC1CCCCN1CC(=O)O MCULE-6978091572 [1,0,0,1,0,0|1,0,1]=4 529 B11R1.86 CC1CCCCN1CC(=O)O MCULE-8958981548 [1,0,0,1,0,0|1,0,1]=4 530 B11R1.86 CC1CCNCC1CC(=O)O MCULE-2573262395 [1,0,0,1,0,0|1,0,1]=4 531 B11R1.86 CC1CCNCC1CC(=O)O MCULE-6926994477 [1,0,0,1,0,0|1,0,1]=4 532 B11R1.86 CC1CNCCC1CC(=O)O MCULE-7212738787 [1,0,0,1,0,0|1,0,1]=4 533 B11R1.86 CN1CCCCC1CC(=O)O MCULE-3316980419 [1,0,0,1,0,0|1,0,1]=4 534 B11R1.86 CN1CCCCC1CC(=O)O MCULE-8860551772 [1,0,0,1,0,0|1,0,1]=4 535 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1O MCULE-4350134748 [1,0,0,1,0,0|1,0,1]=4 536 B11R1.86 O=C(O)C[C@H]1CCCC[C@@H]1O MCULE-6436496571 [1,0,0,1,0,0|1,0,1]=4 537 B11R1.90 CN1CCCC1CCC(=O)O MCULE-2208326711 [1,0,0,1,0,0|1,0,1]=4 538 B11R1.90 CN1CCCC1CCC(=O)O MCULE-5781640008 [1,0,0,1,0,0|1,0,1]=4 539 B11R1.91 CC(=O)CCC1CCCCC1 MCULE-1125647515 [1,0,0,1,0,0|1,0,1]=4 540 B11R1.91 CC(=O)CCN1CCCCC1 MCULE-4455809617 [1,0,0,1,0,0|2,0,0]=4 541 B11R1.91 CC(=O)CCN1CCCCC1 MCULE-7961876637 [1,0,0,1,0,0|2,0,0]=4 542 B11R1.91 NC(=O)CCC1CCCCC1 MCULE-7177254920 [1,0,0,1,0,0|1,0,1]=4 543 B11R1.91 O=C(Cl)CCC1CCCCC1 MCULE-7905035887 [1,0,0,1,0,0|1,0,1]=4 544 B11R1.91 O=C(O)/C=C/C1=CCCCC1 MCULE-1174819409 [1,0,0,1,0,0|0,0,2]=4 545 B11R1.91 O=C(O)/C=C/C1CCCCC1 MCULE-3408838682 [1,0,0,1,0,0|0,0,2]=4 546 B11R1.91 O=C(O)C=CC1=CCCCC1 MCULE-5190014235 [1,0,0,1,0,0|0,0,2]=4 547 B11R1.91 O=C(O)C=CC1CCCCC1 MCULE-4284204201 [1,0,0,1,0,0|0,0,2]=4 548 B11R1.91 O=C(O)CCC1=CCCCC1 MCULE-1237781222 [1,0,0,1,0,0|0,0,0]=2 549 B11R1.91 O=C(O)CCC1CCCCC1 MCULE-6857024600 [1,0,0,1,0,0|0,0,1]=3 550 B11R1.91 O=C(O)CCC1CCCCN1 MCULE-9745963762 [1,0,0,1,0,0|1,0,1]=4 551 B11R1.91 O=C(O)CCC1CCCCN1 MCULE-9799515880 [1,0,0,1,0,0|1,0,1]=4 552 B11R1.91 O=C(O)CCC1CCCCO1 MCULE-7131400209 [1,0,0,1,0,0|1,0,1]=4 553 B11R1.91 O=C(O)CCC1CCCNC1 MCULE-7924528861 [1,0,0,1,0,0|1,0,1]=4 554 B11R1.91 O=C(O)CCC1CCCNC1 MCULE-8138582183 [1,0,0,1,0,0|1,0,1]=4 555 B11R1.91 O=C(O)CCC1CCCOC1 MCULE-2925847386 [1,0,0,1,0,0|1,0,1]=4 556 B11R1.91 O=C(O)CCC1CCNCC1 MCULE-2827451677 [1,0,0,1,0,0|1,0,1]=4 557 B11R1.91 O=C(O)CCC1CCNCC1 MCULE-4045148324 [1,0,0,1,0,0|1,0,1]=4 558 B11R1.91 O=C(O)CCC1CCOCC1 MCULE-6529848078 [1,0,0,1,0,0|1,0,1]=4 559 B11R1.91 O=C(O)CCN1CCCCC1 MCULE-4134014685 [1,0,0,1,0,0|1,0,0]=3 560 B11R1.91 O=C(O)CCN1CCCCC1 MCULE-8800912377 [1,0,0,1,0,0|1,0,0]=3 561 B11R1.91 O=C(O)CCN1CCCCO1 MCULE-2996089701 [1,0,0,1,0,0|2,0,0]=4 562 B11R1.91 O=C(O)CCN1CCCCO1 MCULE-3766668240 [1,0,0,1,0,0|2,0,0]=4 563 B11R1.91 O=C(O)CCN1CCNCC1 MCULE-2278927702 [1,0,0,1,0,0|2,0,0]=4 564 B11R1.91 O=C(O)CCN1CCNCC1 MCULE-7245019533 [1,0,0,1,0,0|2,0,0]=4 565 B11R1.91 O=C(O)CCN1CCOCC1 MCULE-1023466735 [1,0,0,1,0,0|2,0,0]=4 566 B11R1.91 O=C(O)CCN1CCOCC1 MCULE-7724278716 [1,0,0,1,0,0|2,0,0]=4 567 B11R1.91 O=C(O)CCN1CCOCC1 MCULE-8465184362 [1,0,0,1,0,0|2,0,0]=4 568 B11R1.91 O=C(O)CCN1CCSCC1 MCULE-5978659919 [1,0,0,1,0,0|2,0,0]=4 569 B11R1.91 O=C(O)CCN1CCSCC1 MCULE-8911727730 [1,0,0,1,0,0|2,0,0]=4 570 B11R1.91 O=C(O)CNC1=NCCCC1 MCULE-3814369220 [1,0,0,1,0,0|2,0,0]=4 571 B11R1.91 O=C(O)CNC1CCCCC1 MCULE-5220210342 [1,0,0,1,0,0|1,0,1]=4 572 B11R1.91 O=C(O)CNC1CCCCC1 MCULE-9313520636 [1,0,0,1,0,0|1,0,1]=4 573 B11R1.91 O=C(O)COC1CCCCC1 MCULE-9015047559 [1,0,0,1,0,0|1,0,1]=4 574 B11R1.91 O=C(O)CSC1CCCCC1 MCULE-2242180425 [1,0,0,1,0,0|1,0,1]=4 575 B11R1.101 O=C1CCCCCCCCC1 MCULE-7431354983 [1,0,0,1,0,0|1,0,1]=4 576 B11R1.101 O=C1CCCCCCCCN1 MCULE-4805310836 [1,0,0,1,0,0|1,0,1]=4 577 B11R1.101 O=C1CCNCCCCCN1 MCULE-1892904766 [1,0,0,1,0,0|2,0,0]=4 578 B11R1.143 CN1CCCCCC1C(=O)O MCULE-2653542021 [1,0,0,1,0,0|1,0,1]=4 579 B11R1.143 CN1CCCCCC1C(=O)O MCULE-3417099605 [1,0,0,1,0,0|1,0,1]=4 580 B11R1.143 NC1CCCCCC1C(=O)O MCULE-8944650297 [1,0,0,1,0,0|1,0,1]=4 581 B11R1.143 NC1CCCCCC1C(=O)O MCULE-9787960494 [1,0,0,1,0,0|1,0,1]=4 582 B11R1.172 NC(=O)CCNC1CCCC1 MCULE-2584575010 [1,0,0,1,0,0|2,0,0]=4 583 B11R1.172 O=C(O)CCCC1CCCC1 MCULE-5735094397 [1,0,0,1,0,0|0,0,1]=3 584 B11R1.172 O=C(O)CCCN1CCCC1 MCULE-7995654522 [1,0,0,1,0,0|1,0,1]=4 585 B11R1.172 O=C(O)CCCN1CCCC1 MCULE-9746290578 [1,0,0,1,0,0|1,0,1]=4 586 B11R1.172 O=C(O)CCNC1=NCCC1 MCULE-2370524888 [1,0,0,1,0,0|2,0,0]=4 587 B11R1.172 O=C(O)CCNC1CCCC1 MCULE-1657479625 [1,0,0,1,0,0|1,0,0]=3 588 B11R1.172 O=C(O)CCNC1CCCC1 MCULE-3083688470 [1,0,0,1,0,0|1,0,0]=3 589 B11R1.172 O=C(O)CCSC1CCCC1 MCULE-1998655965 [1,0,0,1,0,0|1,0,0]=3 590 B11R1.172 O=C(O)COCC1CCCC1 MCULE-5915220179 [1,0,0,1,0,0|1,0,1]=4 591 B11R1.193 CCCC1CCCC1C(=O)O MCULE-1492543766 [1,0,0,1,0,0|0,0,1]=3 592 B11R1.193 CCCC1CCNC1C(=O)O MCULE-3288508053 [1,0,0,1,0,0|1,0,1]=4 593 B11R1.193 CCCC1CCNC1C(=O)O MCULE-8057933085 [1,0,0,1,0,0|1,0,1]=4 594 B11R1.193 CCCN1CCCC1C(=O)O MCULE-8751998851 [1,0,0,1,0,0|1,0,1]=4 595 B11R1.193 CCCN1CCC[C@H]1C(=O)O MCULE-2240941812 [1,0,0,1,0,0|1,0,1]=4 596 B11R1.193 CCCN1CCC[C@H]1C(=O)O MCULE-4921696951 [1,0,0,1,0,0|1,0,1]=4 597 B11R1.193 O=C(O)C1CNCC1CCO MCULE-3831742896 [1,0,0,1,0,0|2,0,0]=4 598 B11R1.706 CC(=O)C1CCCCCCC1 MCULE-7453374150 [1,0,0,1,0,0|1,0,1]=4 599 B11R1.706 O=C(O)C1CCC=CCCC1 MCULE-1202438669 [1,0,0,1,0,0|0,0,2]=4 600 B11R1.706 O=C(O)C1CCCCCCC1 MCULE-7220278799 [1,0,0,1,0,0|0,0,1]=3 601 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2852082428 [1,0,0,1,0,0|1,0,1]=4 602 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2931630393 [1,0,0,1,0,0|1,0,1]=4 603 B11R1.742 CC(=O)CC1CCCCCN1 MCULE-2355996760 [1,0,0,1,0,0|2,0,0]=4 604 B11R1.742 O=C(O)C=C1CCCCCC1 MCULE-5228387881 [1,0,0,1,0,0|0,0,2]=4 605 B11R1.742 O=C(O)CC1CCCCCC1 MCULE-3247091796 [1,0,0,1,0,0|0,0,1]=3 606 B11R1.742 O=C(O)CC1CCCNCC1 MCULE-1259156999 [1,0,0,1,0,0|1,0,1]=4 607 B11R1.742 O=C(O)CC1CCCNCC1 MCULE-8862658650 [1,0,0,1,0,0|1,0,1]=4 608 B11R1.742 O=C(O)CC1CCCOCC1 MCULE-7663320476 [1,0,0,1,0,0|1,0,1]=4 609 B11R1.742 O=C(O)CN1CCCCCC1 MCULE-1178025352 [1,0,0,1,0,0|1,0,1]=4 610 B11R1.742 O=C(O)CN1CCCCCC1 MCULE-1252489424 [1,0,0,1,0,0|1,0,1]=4 611 B11R1.28 O=CCCCC1CCCCC1 MCULE-8571570461 [1,0,0,1,0,0|0,0,2]=4 612 B11R1.28 O=CCCOC1CCCCC1 MCULE-4673250182 [1,0,0,1,0,0|1,0,1]=4 613 B11R1.180 CCCCC=C1CCCC1=O MCULE-3061361246 [1,0,0,1,0,0|0,0,2]=4 614 B11R1.180 CCCCCC1=CCCC1=O MCULE-2643922279 [1,0,0,1,0,0|0,0,0]=2 615 B11R1.180 CCCCCC1CCCC1=O MCULE-7048040111 [1,0,0,1,0,0|0,0,2]=4 616 B11R1.180 CCCCCN1CCCC1=O MCULE-7791437264 [1,0,0,1,0,0|1,0,1]=4 617 B11R1.203 O=CCCC1CCCCCC1 MCULE-5898493972 [1,0,0,1,0,0|0,0,2]=4 618 B13R1.27 CCCCCCCC1CCC(=O)O1 MCULE-9018416843 [0,1,0,1,0,0|0,0,2]=4 619 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 MCULE-5815442718 [0,1,0,1,0,0|0,0,2]=4 620 B13R1.55 CCCCCC1CC(CC(=O)O1)O MCULE-6406474540 [0,1,0,1,0,0|0,0,2]=4 621 B13R1.190 CCCCCCC1OC(=O)CC1C MCULE-7996140068 [0,1,0,1,0,0|0,0,2]=4 622 B13R1.201 CC1CCCCN1C(C)CC(=O)O MCULE-4261639890 [0,1,0,1,0,0|1,0,1]=4 623 B13R1.348 N[C@H](CC(=O)O)CC1CCCCC1 MCULE-1712654425 [0,1,0,1,0,0|0,0,2]=4 624 B13R1.348 N[C@H](CC(=O)O)CC1CCCCC1 MCULE-1997434967 [0,1,0,1,0,0|0,0,2]=4 625 B13R1.2020 NC1(CCCCCCC1)CC(=O)O MCULE-8477320042 [0,1,0,1,0,0|0,0,2]=4 626 B13R1.2020 NC1(CCCCCCC1)CC(=O)O MCULE-8870084219 [0,1,0,1,0,0|0,0,2]=4 627 B13R1.7456 CC(CC(=O)O)N1CCCCCC1 MCULE-5038914756 [0,1,0,1,0,0|1,0,1]=4 628 B13R1.7456 CC(CC(=O)O)N1CCCCCC1 MCULE-7916192547 [0,1,0,1,0,0|1,0,1]=4 629 B13R1.7456 NC(CC(=O)O)C1CCCCCC1 MCULE-3511349491 [0,1,0,1,0,0|0,0,2]=4 630 B13R1.7456 NC(CC(=O)O)C1CCCCCC1 MCULE-5875335902 [0,1,0,1,0,0|0,0,2]=4 631 B13R1.158 CC1CCCCN1CCCC(=O)O MCULE-2658022342 [0,1,0,1,0,0|0,0,2]=4 632 B13R1.158 CC1CCCCN1CCCC(=O)O MCULE-3288150889 [0,1,0,1,0,0|0,0,2]=4 633 B13R1.337 O=C(O)CCCCC1CCCCC1 MCULE-8624525968 [0,1,0,1,0,0|0,0,2]=4 634 B13R1.337 O=C(O)CCCCC1CCNCC1 MCULE-9807076317 [0,1,0,1,0,0|0,0,2]=4 635 B13R1.337 O=C(O)CCCCN1CCCCC1 MCULE-1700384136 [0,1,0,1,0,0|0,0,2]=4 636 B13R1.337 O=C(O)CCCCN1CCCCC1 MCULE-3436222840 [0,1,0,1,0,0|0,0,2]=4 637 B13R1.337 O=C(O)CCCOC1CCCCO1 MCULE-8336941826 [0,1,0,1,0,0|1,0,1]=4 638 B13R1.337 O=C(O)CCCOC1CCOCC1 MCULE-9068336054 [0,1,0,1,0,0|1,0,1]=4 639 B13R1.337 O=C(O)CCCSC1CCCCC1 MCULE-1908047550 [0,1,0,1,0,0|0,0,2]=4 640 B13R1.337 O=C(O)CCNCC1CCCCC1 MCULE-3522959414 [0,1,0,1,0,0|0,0,2]=4 641 B13R1.337 O=C(O)CCNCC1CCCCC1 MCULE-9583021057 [0,1,0,1,0,0|0,0,2]=4 642 B13R1.337 O=C(O)CCOCC1CCCCC1 MCULE-1183191547 [0,1,0,1,0,0|0,0,2]=4 643 B13R1.337 O=C(O)CCSCC1CCCCC1 MCULE-3460268969 [0,1,0,1,0,0|0,0,2]=4 644 B13R1.513 CC1CCN(CC1)CCCC(=O)O MCULE-2940405828 [0,1,0,1,0,0|1,0,1]=4 645 B13R1.513 CC1CCN(CC1)CCCC(=O)O MCULE-5196067702 [0,1,0,1,0,0|1,0,1]=4 646 B13R1.513 NC1CCN(CC1)CCCC(=O)O MCULE-1372379400 [0,1,0,1,0,0|1,0,1]=4 647 B13R1.513 NC1CCN(CC1)CCCC(=O)O MCULE-2641271687 [0,1,0,1,0,0|1,0,1]=4 648 B13R1.547 COC(=O)C1CC=CCC1C(=O)O MCULE-8590044340 [0,1,0,1,0,0|1,0,1]=4 649 B13R1.547 COC(=O)[C@@H]1CC=CC[C@H]1C(=O)O MCULE-4219960237 [0,1,0,1,0,0|1,0,1]=4 650 B13R1.547 COC(=O)[C@@H]1CC=CC[C@H]1C(=O)O MCULE-4860470388 [0,1,0,1,0,0|1,0,1]=4 651 B13R1.547 COC(=O)[C@H]1CC=CC[C@H]1C(=O)O MCULE-2147439417 [0,1,0,1,0,0|1,0,1]=4 652 B13R1.547 COC(=O)[C@H]1CC=CC[C@H]1C(=O)O MCULE-7179291516 [0,1,0,1,0,0|1,0,1]=4 653 B13R1.547 COC(=O)[C@H]1CC=CC[C@H]1C(=O)O MCULE-7398953430 [0,1,0,1,0,0|1,0,1]=4 654 B13R1.547 [C@H]1(CC=CC[C@H]1C(=O)OC)C(=O)O MCULE-4660002495 [0,1,0,1,0,0|1,0,1]=4 655 B13R1.280 O=C(O)CCN1CCCCCC1=O MCULE-5062326708 [0,1,0,1,0,0|1,0,0]=3 656 B13R1.342 O=C(O)CCCC(=O)C1CCCC1 MCULE-7756025033 [0,1,0,1,0,0|0,0,1]=3 657 B13R1.342 O=C(O)CCCC(=O)N1CCCC1 MCULE-9469748428 [0,1,0,1,0,0|1,0,1]=4 658 B13R1.342 O=C(O)CCNC(=O)C1CCCC1 MCULE-7417577519 [0,1,0,1,0,0|1,0,0]=3 659 B13R1.342 O=C(O)CCNC(=O)C1CCCO1 MCULE-7346852366 [0,1,0,1,0,0|2,0,0]=4 660 B13R1.342 O=C(O)CCSC(=S)N1CCCC1 MCULE-2422543961 [0,1,0,1,0,0|2,0,0]=4 661 B13R1.658 CCCCCC1NC(CS1)C(=O)O MCULE-4690525097 [0,1,0,1,0,0|1,0,1]=4 662 B13R1.1988 O=C(O)CCCN1CCCCCC1 MCULE-5500239831 [0,1,0,1,0,0|0,0,2]=4 663 B13R1.1988 O=C(O)CCCN1CCCCCC1 MCULE-9998662967 [0,1,0,1,0,0|0,0,2]=4 664 B13R1.1988 O=C(O)CCNC1=NCCCCC1 MCULE-9127655169 [0,1,0,1,0,0|1,0,0]=3 665 B13R1.1988 O=C(O)CON=C1CCCCCC1 MCULE-4174439671 [0,1,0,1,0,0|1,0,1]=4 666 B13R1.2744 CCCCOC(=O)C1CC1C(=O)O MCULE-4981135146 [0,1,0,1,0,0|1,0,1]=4 667 B13R1.2744 CCCCOC(=O)[C@H]1C[C@H]1C(=O)O MCULE-2074539735 [0,1,0,1,0,0|1,0,1]=4 668 B13R1.2744 CCCCOC(=O)[C@H]1C[C@H]1C(=O)O MCULE-6495733804 [0,1,0,1,0,0|1,0,1]=4 669 B13R1.3787 CC1CCCC(N1CCC(=O)O)C MCULE-5437713528 [0,1,0,1,0,0|1,0,1]=4 670 B13R1.3787 CC1CCCC(N1CCC(=O)O)C MCULE-5754159196 [0,1,0,1,0,0|1,0,1]=4 671 B13R1.3787 C[C@H]1CCC[C@H](N1CCC(=O)O)C MCULE-3280034150 [0,1,0,1,0,0|1,0,1]=4 672 B13R1.3787 C[C@H]1CCC[C@H](N1CCC(=O)O)C MCULE-6064144876 [0,1,0,1,0,0|1,0,1]=4 673 B13R1.6 CCCCCCC1CCCC(=O)O1 MCULE-7844383556 [0,1,0,1,0,0|0,0,2]=4 674 B13R1.90 CCC1CCCCC1OCC(=O)O MCULE-4174544329 [0,1,0,1,0,0|0,0,2]=4 675 B13R1.90 CCC1CCCCN1CCC(=O)O MCULE-7797119414 [0,1,0,1,0,0|0,0,2]=4 676 B13R1.90 CCC1CCCCN1CCC(=O)O MCULE-8806588553 [0,1,0,1,0,0|0,0,2]=4 677 B13R1.279 O=C1CCCCCCCCCCO1 MCULE-5646678690 [0,1,0,1,0,0|0,0,2]=4 678 B13R1.283 O=C(O)CN1CCCCCCC1=O MCULE-5316467172 [0,1,0,1,0,0|1,0,1]=4 679 B13R1.392 CCCN1N=CC=C1CCC(=O)O MCULE-1577366796 [0,1,0,1,0,0|1,0,1]=4 680 B13R1.1022 O=C(O)CCN1CCCCCCC1 MCULE-3702984614 [0,1,0,1,0,0|0,0,2]=4 681 B13R1.1022 O=C(O)CCN1CCCCCCC1 MCULE-4571415668 [0,1,0,1,0,0|0,0,2]=4 682 B13R1.1022 O=C(O)COC1C#CCCCCC1 MCULE-9286758727 [0,1,0,1,0,0|0,0,2]=4 683 B13R1.528 COC(=O)CCN1CCCCC1C MCULE-8929818560 [0,1,0,1,0,0|1,0,1]=4 684 B13R1.536 COC(=O)CCNCC1CCCC1 MCULE-8692054082 [0,1,0,1,0,0|1,0,1]=4 685 B13R1.718 COC(=O)CCCN1CCCCC1 MCULE-6840007912 [0,1,0,1,0,0|1,0,1]=4 686 B13R1.718 COC(=O)CCCN1CCCCC1 MCULE-9231421014 [0,1,0,1,0,0|1,0,1]=4 687 B13R1.718 COC(=O)CCNC1CCCCC1 MCULE-2199390487 [0,1,0,1,0,0|1,0,1]=4 688 B13R1.1711 COC(=O)CCN1CCCCCC1 MCULE-1344291062 [0,1,0,1,0,0|1,0,1]=4 689 B13R1.1711 COC(=O)CCN1CCCCCC1 MCULE-4180090952 [0,1,0,1,0,0|1,0,1]=4 690 B13R1.1711 COC(=O)CNC1=NCCCCC1 MCULE-8999789931 [0,1,0,1,0,0|2,0,0]=4 691 B13R1.1711 COC(=O)CNC1=NCCCCC1 MCULE-9756239163 [0,1,0,1,0,0|2,0,0]=4 692 B13R1.202 CC(CN1CCCCC1C)C(=O)O MCULE-1081042616 [0,1,0,1,0,0|1,0,1]=4 693 B13R1.202 CC(CN1CCCCC1C)C(=O)O MCULE-6361210183 [0,1,0,1,0,0|1,0,1]=4 694 B13R1.351 NC(CCC1CCCCC1)C(=O)O MCULE-6773728629 [0,1,0,1,0,0|0,0,2]=4 695 B13R1.351 NC(CCC1CCCCC1)C(=O)O MCULE-9939535450 [0,1,0,1,0,0|0,0,2]=4 696 B13R1.351 NC(CCN1CCCCC1)C(=O)O MCULE-5079669712 [0,1,0,1,0,0|1,0,1]=4 697 B13R1.351 N[C@@H](CCC1CCCCC1)C(=O)O MCULE-9655484954 [0,1,0,1,0,0|0,0,2]=4 698 B13R1.351 N[C@H](CCC1CCCCC1)C(=O)O MCULE-4334214625 [0,1,0,1,0,0|0,0,2]=4 699 B13R1.1110 NC(CCCC1CCCC1)C(=O)O MCULE-5570934377 [0,1,0,1,0,0|0,0,2]=4 700 B13R1.6161 O=C(O)C(O)C1CCCCCCC1 MCULE-5412766893 [0,1,0,1,0,0|0,0,2]=4 701 B13R1.6192 CC(CC1CCCCCC1)C(=O)O MCULE-1246118295 [0,1,0,1,0,0|0,0,2]=4 702 B13R1.6192 CC(CN1CCCCCC1)C(=O)O MCULE-3834677932 [0,1,0,1,0,0|1,0,1]=4 703 B13R1.6192 CC(CN1CCCCCC1)C(=O)O MCULE-4875026121 [0,1,0,1,0,0|1,0,1]=4 704 B13R1.6192 NC(CC1CCCCCC1)C(=O)O MCULE-4714040866 [0,1,0,1,0,0|0,0,2]=4 705 B13R1.6192 NC(CC1CCCCCC1)C(=O)O MCULE-7833248184 [0,1,0,1,0,0|0,0,2]=4 706 B13R1.6192 N[C@@H](CC1CCCCCC1)C(=O)O MCULE-5047268774 [0,1,0,1,0,0|0,0,2]=4 707 B13R1.6192 N[C@@H](CC1CCCCCC1)C(=O)O MCULE-5328740745 [0,1,0,1,0,0|0,0,2]=4 708 B13R1.45 CC(CCC(=O)O)N1CCCCC1 MCULE-8452909293 [0,1,0,1,0,0|1,0,1]=4 709 B13R1.45 CC(CCC(=O)O)N1CCCCC1 MCULE-9886218531 [0,1,0,1,0,0|1,0,1]=4 710 B13R1.45 CN(CCC(=O)O)C1CCCCC1 MCULE-7260474012 [0,1,0,1,0,0|1,0,1]=4 711 B13R1.45 CN(CCC(=O)O)C1CCCCC1 MCULE-9762479840 [0,1,0,1,0,0|1,0,1]=4 712 B13R1.45 O=C(O)CCC(=O)C1CCCCC1 MCULE-1493453185 [0,1,0,1,0,0|0,0,1]=3 713 B13R1.45 O=C(O)CCC(=O)N1CCCCC1 MCULE-1511480493 [0,1,0,1,0,0|1,0,0]=3 714 B13R1.45 O=C(O)CCC(=O)N1CCNCC1 MCULE-4688056261 [0,1,0,1,0,0|2,0,0]=4 715 B13R1.45 O=C(O)CCC(=O)N1CCOCC1 MCULE-3686251218 [0,1,0,1,0,0|2,0,0]=4 716 B13R1.45 O=C(O)CNC(=O)C1CCCCC1 MCULE-3210620044 [0,1,0,1,0,0|1,0,1]=4 717 B13R1.45 O=C(O)COC(=O)C1CCCCC1 MCULE-8130083457 [0,1,0,1,0,0|1,0,1]=4 718 B13R1.45 O=C(O)CSC(=S)N1CCCCC1 MCULE-7751287725 [0,1,0,1,0,0|2,0,0]=4 719 B13R1.240 CCCN1C=C(C=N1)CCC(=O)O MCULE-9181391119 [0,1,0,1,0,0|2,0,0]=4 720 B13R1.344 O=C(O)CCC(=O)NC1CCCC1 MCULE-8430801996 [0,1,0,1,0,0|1,0,0]=3 721 B13R1.344 O=C(O)CCC(=O)NC1CCOC1 MCULE-9473141706 [0,1,0,1,0,0|2,0,0]=4 722 B13R1.344 O=C(O)CNC(=O)CC1CCCC1 MCULE-1168001743 [0,1,0,1,0,0|1,0,1]=4 723 B13R1.344 O=C(O)CSC(=S)NC1CCCC1 MCULE-3928513614 [0,1,0,1,0,0|2,0,0]=4 724 B13R1.2135 CCN1CCNC(=O)C1CC(=O)O MCULE-2817605998 [0,1,0,1,0,0|2,0,0]=4 725 B13R1.3688 CCCCCCC1(CCC(=O)O1)C MCULE-5079376729 [0,1,0,1,0,0|0,0,2]=4 726 B13R2.72 O=C(O)C1COC2C1CCCC2 MCULE-8553023240 [0,0,0,2,0,0|1,0,1]=4 727 B13R2.1287 O=C(O)CC1CN2CCC1CC2 MCULE-2186174933 [0,0,0,2,0,0|1,0,1]=4 728 B13R2.1287 O=C(O)CC1CN2CCC1CC2 MCULE-8087514480 [0,0,0,2,0,0|1,0,1]=4 729 B13R2.1287 O=C(O)C[C@H]1CN2CCC1CC2 MCULE-4997766259 [0,0,0,2,0,0|1,0,1]=4 730 B13R2.1287 O=C(O)C[C@H]1CN2CCC1CC2 MCULE-5057533567 [0,0,0,2,0,0|1,0,1]=4 731 B13R2.430 O=C(O)C1CCC2CCNC2C1 MCULE-8290700817 [0,0,0,2,0,0|1,0,1]=4 732 B13R2.1264 O=C(O)CCN1C2CCC1CC2 MCULE-4772261835 [0,0,0,2,0,0|1,0,1]=4 733 B13R2.5551 O=C(O)CCC1CC2CCC1C2 MCULE-4286233335 [0,0,0,2,0,0|0,0,2]=4 734 B13R2.5551 O=C(O)CCN1CC2CCC1C2 MCULE-3732906303 [0,0,0,2,0,0|1,0,1]=4 735 B13R2.5551 O=C(O)CCN1CC2CCC1C2 MCULE-4468193962 [0,0,0,2,0,0|1,0,1]=4 736 B13R2.435 O=C(O)C1CC2CCCCC2C1 MCULE-6091123641 [0,0,0,2,0,0|0,0,2]=4 737 B13R2.435 O=C(O)C1CC2CCCCN2C1 MCULE-4918778870 [0,0,0,2,0,0|1,0,1]=4 738 B13R2.435 O=C(O)C1CC2CCCCN2C1 MCULE-9726686116 [0,0,0,2,0,0|1,0,1]=4 739 B13R2.423 O=C(O)C1CC1C2CCCCC2 MCULE-5173796359 [0,0,0,2,0,0|0,0,2]=4 740 B13R2.35 O=C(O)C1CNCC12CCCC2 MCULE-4815726842 [0,0,0,2,0,0|1,0,1]=4 741 B13R2.35 O=C(O)C1CNCC12CCCC2 MCULE-5146730782 [0,0,0,2,0,0|1,0,1]=4 742 B13R2.432 O=C(O)C1CCN1C2CCCC2 MCULE-2301245966 [0,0,0,2,0,0|1,0,1]=4 743 B13R2.5514 O=C(O)C1CCCCC1C2CC2 MCULE-3389562573 [0,0,0,2,0,0|0,0,2]=4 744 B13R2.13663 O=C(O)C12CCCCC1CNC2 MCULE-5397839077 [0,0,0,2,0,0|1,0,1]=4 745 B13R2.13663 O=C(O)C12CCCCC1OCC2 MCULE-2319230396 [0,0,0,2,0,0|1,0,1]=4 746 B13R2.13779 O=C(O)C1C2CCCC1CNC2 MCULE-7788313787 [0,0,0,2,0,0|1,0,1]=4 747 B13R2.13779 O=C(O)C1C2CCCC1CNC2 MCULE-7964508526 [0,0,0,2,0,0|1,0,1]=4 748 B13R2.13776 O=C(O)C1C2C1CCCCCC2 MCULE-8380174359 [0,0,0,2,0,0|0,0,2]=4 749 B8R0.4 C=CCCCCCCC MCULE-8103203416 [3,0,0,0,0,0|1,0,0]=4 750 B8R0.4 CCC/C=C\CCCC MCULE-1534641855 [3,0,0,0,0,0|0,0,1]=4 751 B8R0.4 CCC=CCCCCO MCULE-2496486842 [3,0,0,0,0,0|1,0,0]=4 752 B8R0.4 CCCC/C=C\CCO MCULE-5021089657 [3,0,0,0,0,0|0,0,0]=3 753 B8R0.4 CCCC=CCCCC MCULE-6609949802 [3,0,0,0,0,0|0,0,1]=4 754 B8R0.4 CCCCC/C=C/C=O MCULE-9410244042 [3,0,0,0,0,0|0,0,0]=3 755 B8R0.4 CCCCC/C=C/CO MCULE-2538979274 [3,0,0,0,0,0|0,0,0]=3 756 B8R0.4 CCCCC=CCCO MCULE-5187523035 [3,0,0,0,0,0|0,0,0]=3 757 B8R0.4 CCCCCC=CC=O MCULE-7640230490 [3,0,0,0,0,0|0,0,0]=3 758 B8R0.4 CCCCCC=CCO MCULE-7026544339 [3,0,0,0,0,0|0,0,0]=3 759 B8R0.4 CCCCCCCC=O MCULE-7111365457 [3,0,0,0,0,0|0,0,0]=3 760 B8R0.4 CCCCCCCCO MCULE-2656577895 [3,0,0,0,0,0|0,0,1]=4 761 B8R0.4 CCCCCCNC=O MCULE-3719637754 [3,0,0,0,0,0|1,0,0]=4 762 B8R0.4 CCCCCCOC=O MCULE-1329787181 [3,0,0,0,0,0|1,0,0]=4 763 B8R0.4 CCCCCNCCO MCULE-7662965930 [3,0,0,0,0,0|1,0,0]=4 764 B8R0.4 CCCCCOCCO MCULE-3393695257 [3,0,0,0,0,0|1,0,0]=4 765 B8R0.4 CCCCCSCCO MCULE-1239137782 [3,0,0,0,0,0|1,0,0]=4 766 B8R0.4 O=CCCCCCCBr MCULE-3046622133 [3,0,0,0,0,0|1,0,0]=4 767 B8R0.7 CCCC/C=C/C(=O)C MCULE-1532446839 [3,0,0,0,0,0|1,0,0]=4 768 B8R0.7 CCCC/C=C/C(=O)O MCULE-6916224344 [3,0,0,0,0,0|0,0,0]=3 769 B8R0.7 CCCC=CCC(=O)O MCULE-3879649411 [3,0,0,0,0,0|0,0,0]=3 770 B8R0.7 CCCCC=CC(=O)C MCULE-6026245958 [3,0,0,0,0,0|1,0,0]=4 771 B8R0.7 CCCCC=CC(=O)Cl MCULE-3883159938 [3,0,0,0,0,0|1,0,0]=4 772 B8R0.7 CCCCC=CC(=O)O MCULE-6837768730 [3,0,0,0,0,0|0,0,0]=3 773 B8R0.7 CCCCCCC(=O)C MCULE-1152821440 [3,0,0,0,0,0|1,0,0]=4 774 B8R0.7 CCCCCCC(=O)Cl MCULE-8559884798 [3,0,0,0,0,0|1,0,0]=4 775 B8R0.7 CCCCCCC(=O)N MCULE-1210996881 [3,0,0,0,0,0|1,0,0]=4 776 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [3,0,0,0,0,0|0,0,0]=3 777 B8R0.7 CCCCCCC(=O)[O-] MCULE-1711655800 [3,0,0,0,0,0|0,0,1]=4 778 B8R0.7 CCCCNCC(=O)O MCULE-4725221957 [3,0,0,0,0,0|1,0,0]=4 779 B8R0.7 CCCCOCC(=O)O MCULE-9634255761 [3,0,0,0,0,0|1,0,0]=4 780 B8R0.7 CCCCSCC(=O)O MCULE-3580384865 [3,0,0,0,0,0|1,0,0]=4 781 B8R0.7 CCCNCCC(=O)O MCULE-3144740259 [3,0,0,0,0,0|1,0,0]=4 782 B8R0.7 CCCNCCC(=O)O MCULE-3866165037 [3,0,0,0,0,0|1,0,0]=4 783 B8R0.7 CCCOCCC(=O)O MCULE-1927238608 [3,0,0,0,0,0|1,0,0]=4 784 B8R0.7 CCCSC=CC(=O)O MCULE-3074287995 [3,0,0,0,0,0|1,0,0]=4 785 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [3,0,0,0,0,0|1,0,0]=4 786 B8R0.7 CCNCCCC(=O)O MCULE-7019386199 [3,0,0,0,0,0|1,0,0]=4 787 B8R0.7 CCNCCCC(=O)O MCULE-8568253592 [3,0,0,0,0,0|1,0,0]=4 788 B8R0.7 CCOCCCC(=O)O MCULE-9064011886 [3,0,0,0,0,0|1,0,0]=4 789 B8R0.7 CNCCCCC(=O)O MCULE-4298567521 [3,0,0,0,0,0|1,0,0]=4 790 B8R0.7 CNCCCCC(=O)O MCULE-5688320983 [3,0,0,0,0,0|1,0,0]=4 791 B8R0.7 COCCCCC(=O)O MCULE-1268596288 [3,0,0,0,0,0|1,0,0]=4 792 B8R0.7 CSCCCCC(=O)O MCULE-4498129620 [3,0,0,0,0,0|1,0,0]=4 793 B8R0.7 NCCCCCC(=O)O MCULE-3640363033 [3,0,0,0,0,0|1,0,0]=4 794 B8R0.7 NCCCCCC(=O)O MCULE-6389520144 [3,0,0,0,0,0|1,0,0]=4 795 B8R0.7 O=C(O)CCCCCBr MCULE-2086088700 [3,0,0,0,0,0|1,0,0]=4 796 B8R0.7 O=C(O)CCCCCCl MCULE-3419329115 [3,0,0,0,0,0|1,0,0]=4 797 B8R0.7 O=C(O)CCCCCF MCULE-6736431365 [3,0,0,0,0,0|1,0,0]=4 798 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [3,0,0,0,0,0|1,0,0]=4 799 B8R0.7 O=C(O)CCCCCS MCULE-1414350107 [3,0,0,0,0,0|1,0,0]=4 800 B10R0.3 CCCC(=O)CCCC(=O)O MCULE-5554652459 [2,1,0,0,0,0|0,0,1]=4 801 B10R0.3 CCCC(=O)NCCC(=O)O MCULE-9942655490 [2,1,0,0,0,0|1,0,0]=4 802 B10R0.3 CCCC(C)CCCC(=O)C MCULE-6836595014 [2,1,0,0,0,0|1,0,0]=4 803 B10R0.3 CCCC(C)CCCC(=O)O MCULE-9813732292 [2,1,0,0,0,0|0,0,0]=3 804 B10R0.3 CCCC(O)CCCC(=O)O MCULE-6567242953 [2,1,0,0,0,0|0,0,0]=3 805 B10R0.6 CCCCCC(=O)CC(=O)C MCULE-8236892696 [2,1,0,0,0,0|1,0,0]=4 806 B10R0.6 CCCCCC(C)CC(=O)C MCULE-9366517192 [2,1,0,0,0,0|1,0,0]=4 807 B10R0.6 CCCCCC(C)CC(=O)O MCULE-2066533125 [2,1,0,0,0,0|0,0,0]=3 808 B10R0.6 CCCCCC(N)CC(=O)O MCULE-1332766356 [2,1,0,0,0,0|0,0,0]=3 809 B10R0.6 CCCCCC(N)CC(=O)O MCULE-6217126659 [2,1,0,0,0,0|0,0,0]=3 810 B10R0.6 CCCCCC(O)CC(=O)O MCULE-4825961688 [2,1,0,0,0,0|0,0,0]=3 811 B10R0.6 CCCCC[C@@H](O)CC(=O)O MCULE-2570880673 [2,1,0,0,0,0|0,0,0]=3 812 B10R0.6 CCCCC[C@H](O)CC(=O)O MCULE-3222730819 [2,1,0,0,0,0|0,0,0]=3 813 B10R0.6 CCCCC[C@H](O)CC(=O)O MCULE-6407518730 [2,1,0,0,0,0|0,0,0]=3 814 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-4895569973 [2,1,0,0,0,0|1,0,0]=4 815 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-7821167225 [2,1,0,0,0,0|1,0,0]=4 816 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-8763571530 [2,1,0,0,0,0|1,0,0]=4 817 B10R0.6 NCCCC[C@H](N)CC(=O)O MCULE-9870503005 [2,1,0,0,0,0|1,0,0]=4 818 B10R0.22 CCCCCCCP(=O)(O)O MCULE-4624203907 [2,1,0,0,0,0|1,0,0]=4 819 B10R0.55 CCC(=O)CCCCC(=O)O MCULE-8497826453 [2,1,0,0,0,0|0,0,1]=4 820 B10R0.55 CCC(C)CCCCC(=O)O MCULE-5735580085 [2,1,0,0,0,0|0,0,0]=3 821 B10R0.74 CCCCC/C=C/C(=O)OC MCULE-1812424019 [2,1,0,0,0,0|0,0,0]=3 822 B10R0.74 CCCCCC=CC(=O)OC MCULE-3787684558 [2,1,0,0,0,0|0,0,0]=3 823 B10R0.74 CCCCCCCC(=O)CC MCULE-3418685291 [2,1,0,0,0,0|1,0,0]=4 824 B10R0.74 CCCCCCCC(=O)NN MCULE-6629350924 [2,1,0,0,0,0|1,0,0]=4 825 B10R0.74 CCCCCCCC(=O)NO MCULE-2604662374 [2,1,0,0,0,0|0,0,0]=3 826 B10R0.74 CCCCCCCC(=O)N[O-] MCULE-1745709791 [2,1,0,0,0,0|0,0,1]=4 827 B10R0.74 CCCCCCCC(=O)N[O-] MCULE-4610313780 [2,1,0,0,0,0|0,0,1]=4 828 B10R0.74 CCCCCCCC(=O)OC MCULE-9368782203 [2,1,0,0,0,0|0,0,0]=3 829 B10R0.74 COC(=O)CCCCCCBr MCULE-5801566678 [2,1,0,0,0,0|1,0,0]=4 830 B10R0.74 COC(=O)CCCCCCI MCULE-5629338002 [2,1,0,0,0,0|1,0,0]=4 831 B10R0.74 COC(=O)CCCCCCN MCULE-3174162228 [2,1,0,0,0,0|1,0,0]=4 832 B10R0.74 COC(=O)CCCCCCN MCULE-7552954472 [2,1,0,0,0,0|1,0,0]=4 833 B10R0.74 COC(=O)CCCCCCO MCULE-1234987175 [2,1,0,0,0,0|1,0,0]=4 834 B10R0.75 CCCCCCC(Br)C(=O)Br MCULE-8391154868 [2,1,0,0,0,0|1,0,0]=4 835 B10R0.75 CCCCCCC(Br)C(=O)O MCULE-3532642872 [2,1,0,0,0,0|0,0,0]=3 836 B10R0.75 CCCCCCC(C)C(=O)C MCULE-2296587993 [2,1,0,0,0,0|1,0,0]=4 837 B10R0.75 CCCCCCC(C)C(=O)Cl MCULE-4801747974 [2,1,0,0,0,0|1,0,0]=4 838 B10R0.75 CCCCCCC(C)C(=O)O MCULE-6664640382 [2,1,0,0,0,0|0,0,0]=3 839 B10R0.75 CCCCCCC(F)C(=O)O MCULE-3865739259 [2,1,0,0,0,0|0,0,0]=3 840 B10R0.75 CCCCCCC(N)C(=O)O MCULE-2527731470 [2,1,0,0,0,0|0,0,0]=3 841 B10R0.75 CCCCCCC(N)C(=O)O MCULE-5498377990 [2,1,0,0,0,0|0,0,0]=3 842 B10R0.75 CCCCCCC(O)C(=O)O MCULE-1679305682 [2,1,0,0,0,0|0,0,0]=3 843 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9163680563 [2,1,0,0,0,0|0,0,0]=3 844 B10R0.75 CCCCCC[C@@H](N)C(=O)O MCULE-9959237270 [2,1,0,0,0,0|0,0,0]=3 845 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-6660531044 [2,1,0,0,0,0|0,0,0]=3 846 B10R0.75 CCCCCC[C@H](N)C(=O)O MCULE-7151037911 [2,1,0,0,0,0|0,0,0]=3 847 B10R0.75 CCCCSC[C@@H](N)C(=O)O MCULE-8737283640 [2,1,0,0,0,0|1,0,0]=4 848 B10R0.75 CCCCSC[C@H](N)C(=O)O MCULE-5383064231 [2,1,0,0,0,0|1,0,0]=4 849 B10R0.75 CNCCCCC(N)C(=O)O MCULE-5703952072 [2,1,0,0,0,0|1,0,0]=4 850 B10R0.75 CNCCCCC(N)C(=O)O MCULE-8267439974 [2,1,0,0,0,0|1,0,0]=4 851 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-4130643324 [2,1,0,0,0,0|1,0,0]=4 852 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-5394599260 [2,1,0,0,0,0|1,0,0]=4 853 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6328038825 [2,1,0,0,0,0|1,0,0]=4 854 B10R0.75 CNCCCC[C@H](N)C(=O)O MCULE-6736060504 [2,1,0,0,0,0|1,0,0]=4 855 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-7846811170 [2,1,0,0,0,0|1,0,0]=4 856 B10R0.75 NCCCCC[C@@H](N)C(=O)O MCULE-8562914837 [2,1,0,0,0,0|1,0,0]=4 857 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-4522889843 [2,1,0,0,0,0|1,0,0]=4 858 B10R0.75 NCCCCC[C@H](N)C(=O)O MCULE-9026496023 [2,1,0,0,0,0|1,0,0]=4 859 B10R0.78 CCCCC(=O)CCC(=O)O MCULE-7337930692 [2,1,0,0,0,0|0,0,0]=3 860 B10R0.78 CCCCC(=O)NCC(=O)O MCULE-9839707919 [2,1,0,0,0,0|1,0,0]=4 861 B10R0.78 CCCCC(C)CCC(=O)O MCULE-2454273176 [2,1,0,0,0,0|0,0,0]=3 862 B10R0.78 CCCCC(N)CCC(=O)O MCULE-2622598542 [2,1,0,0,0,0|0,0,0]=3 863 B10R0.78 CCCCC(N)CCC(=O)O MCULE-5683869807 [2,1,0,0,0,0|0,0,0]=3 864 B10R0.78 CCCCC(O)CCC(=O)O MCULE-6806538778 [2,1,0,0,0,0|0,0,0]=3 865 B10R0.78 CCCCC(O)CCC(=O)[O-] MCULE-9148086354 [2,1,0,0,0,0|0,0,1]=4 866 B10R0.78 CCCCN(C)CCC(=O)O MCULE-3286714152 [2,1,0,0,0,0|1,0,0]=4 867 B10R0.78 CCCCS(=O)CCC(=O)O MCULE-7420971633 [2,1,0,0,0,0|1,0,0]=4 868 B10R0.78 CCCC[C@H](C)CCC(=O)O MCULE-4790339661 [2,1,0,0,0,0|0,0,0]=3 869 B10R0.78 CCCNC(=O)CCC(=O)O MCULE-3093591706 [2,1,0,0,0,0|1,0,0]=4 870 B10R0.97 C=C(C)CCCCCC(=O)O MCULE-6091105789 [2,1,0,0,0,0|0,0,1]=4 871 B10R0.97 CC(=O)CCCCCC(=O)O MCULE-4488400468 [2,1,0,0,0,0|0,0,1]=4 872 B10R0.97 CC(C)CCCCCC(=O)O MCULE-6934503036 [2,1,0,0,0,0|0,0,0]=3 873 B10R0.97 CC(C)CCCOCC(=O)O MCULE-7389478050 [2,1,0,0,0,0|1,0,0]=4 874 B10R0.97 CC(O)CCCCCC(=O)O MCULE-8533691013 [2,1,0,0,0,0|0,0,0]=3 875 B10R0.97 CN(C)CCCCCC(=O)O MCULE-1002014230 [2,1,0,0,0,0|1,0,0]=4 876 B10R0.97 CN(C)CCCCCC(=O)O MCULE-2670396647 [2,1,0,0,0,0|1,0,0]=4 877 B10R0.97 O=C(O)CCCCCC(F)F MCULE-9302536317 [2,1,0,0,0,0|1,0,0]=4 878 B10R0.91 CCCCCC(=O)C=CC=O MCULE-7288937112 [2,1,0,0,0,0|0,0,1]=4 879 B10R0.91 CCCCCC(C)CCC=O MCULE-9659356194 [2,1,0,0,0,0|0,0,1]=4 880 B12R0.46 CCCCCCC(O)C(N)C(=O)O MCULE-6650393951 [1,2,0,0,0,0|0,0,1]=4 881 B12R0.113 CCCCCCC(O)CC(=O)OC MCULE-8995113646 [1,2,0,0,0,0|0,0,1]=4 882 B12R0.113 CCCCCNC(C)CC(=O)OC MCULE-2558037544 [1,2,0,0,0,0|1,0,0]=4 883 B12R0.202 CCCCCCC(CC)CC(=O)O MCULE-4987267160 [1,2,0,0,0,0|0,0,1]=4 884 B12R0.272 CCCC(C)CCC(C)CC(=O)O MCULE-2907102374 [1,2,0,0,0,0|0,0,1]=4 885 B12R0.44 CC(C)CCCC(C)CCC(=O)O MCULE-4060617838 [1,2,0,0,0,0|0,0,1]=4 886 B12R0.44 CC(C)CCNC(=O)CCC(=O)O MCULE-8549397879 [1,2,0,0,0,0|1,0,0]=4 887 B12R0.1 CCCCCC=CCC(=O)OCC MCULE-2452505052 [1,2,0,0,0,0|0,0,0]=3 888 B12R0.1 CCCCCCCCC(=O)NCO MCULE-9330858839 [1,2,0,0,0,0|0,0,1]=4 889 B12R0.1 CCCCCCCCC(=O)OCC MCULE-5309868306 [1,2,0,0,0,0|0,0,1]=4 890 B12R0.1 CCCCCCCCC(=O)OCCl MCULE-7482672748 [1,2,0,0,0,0|0,0,1]=4 891 B12R0.1 CCCCCNCCC(=O)OCC MCULE-6006388312 [1,2,0,0,0,0|1,0,0]=4 892 B12R0.49 CCCCCNCC(C)C(=O)OC MCULE-7883564580 [1,2,0,0,0,0|1,0,0]=4 893 B12R0.142 CCCCCN(C)CCC(=O)OC MCULE-2291452390 [1,2,0,0,0,0|1,0,0]=4 894 B12R0.58 CCCCCCCC(C)(C)C(=O)O MCULE-5703679612 [1,2,0,0,0,0|0,0,1]=4 895 B12R0.123 CCCCCC(=O)NC(C)C(=O)O MCULE-5820006482 [1,2,0,0,0,0|1,0,0]=4 896 B12R0.123 CCCCOC(=O)CC(N)C(=O)O MCULE-6916489846 [1,2,0,0,0,0|1,0,0]=4 897 B12R0.201 CCCCCCCC(CC)C(=O)O MCULE-8987975802 [1,2,0,0,0,0|0,0,1]=4 898 B12R0.5 C=CCCCC=CCNCCCC MCULE-3142484929 [1,2,0,0,0,0|1,0,0]=4 899 B14R0.398 CC(O)CCC(O)/C=C/C(O)CC(=O)N MCULE-7401837268 [0,3,0,0,0,0|1,0,0]=4 900 B14R0.391 CCCCCC/C=C\CC(O)CC(=O)O MCULE-2404322318 [0,3,0,0,0,0|0,0,0]=3 901 B14R0.229 CCCCCC(=O)NCC[C@H](N)C(=O)O MCULE-2780685849 [0,3,0,0,0,0|0,0,1]=4 902 B14R0.2430 CCCCCC(C)NC(=O)CCC(=O)O MCULE-7476768945 [0,3,0,0,0,0|0,0,1]=4 903 B14R0.2 CCCCCCCC(=O)CCCC(=O)O MCULE-7869619246 [0,3,0,0,0,0|0,0,1]=4 904 B14R0.2 CCCCCCCC(=O)NCCC(=O)O MCULE-8282090533 [0,3,0,0,0,0|0,0,1]=4 905 B14R0.2 CCCCCCNC(=O)NCCC(=O)O MCULE-1746164538 [0,3,0,0,0,0|0,0,1]=4 906 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC MCULE-5103251138 [0,3,0,0,0,0|0,0,1]=4 907 B14R0.231 CCCCCC(=O)CCCCCC(=O)O MCULE-3463709825 [0,3,0,0,0,0|0,0,1]=4 908 B14R0.231 CCCCCC(=O)NCCCCC(=O)O MCULE-9650195842 [0,3,0,0,0,0|0,0,1]=4 909 B14R0.337 CCCCCC=CCCC=CC(=O)OC MCULE-5740536964 [0,3,0,0,0,0|0,0,0]=3 910 B14R0.344 CCCCCCCCC(=O)CCC(=O)O MCULE-8037408561 [0,3,0,0,0,0|0,0,1]=4 911 B14R0.344 CCCCCCCNC(=O)CCC(=O)O MCULE-7895735111 [0,3,0,0,0,0|0,0,1]=4 912 B14R0.344 O=C(O)CCC(=O)OCCCCCCO MCULE-8699860817 [0,3,0,0,0,0|0,0,1]=4 913 B14R0.199 CCCCCCC(=O)CCC(=O)OCC MCULE-8046058651 [0,3,0,0,0,0|0,0,1]=4 914 B10R1.10 CCCC1CCCC(=O)C1 MCULE-7668769463 [2,0,0,1,0,0|1,0,0]=4 915 B10R1.10 CCCC1CCCC(=O)O1 MCULE-9181432444 [2,0,0,1,0,0|0,0,0]=3 916 B10R1.10 O=C1CCCC(O1)CCBr MCULE-4728327671 [2,0,0,1,0,0|1,0,0]=4 917 B10R1.16 CCCCC1CCC(=O)O1 MCULE-2172174471 [2,0,0,1,0,0|0,0,0]=3 918 B10R1.18 CC(=O)C=C1CCCCC1 MCULE-8551739363 [2,0,0,1,0,0|1,0,0]=4 919 B10R1.18 CC(=O)CC1=CCCCC1 MCULE-7211325077 [2,0,0,1,0,0|1,0,0]=4 920 B10R1.18 CC(=O)CC1CCCCC1 MCULE-4557008527 [2,0,0,1,0,0|1,0,0]=4 921 B10R1.18 NC(=O)CC1CCCCC1 MCULE-4951525688 [2,0,0,1,0,0|1,0,0]=4 922 B10R1.18 O=C(Cl)C=C1CCCCC1 MCULE-2919809771 [2,0,0,1,0,0|1,0,0]=4 923 B10R1.18 O=C(Cl)CC1CCCCC1 MCULE-2220383860 [2,0,0,1,0,0|1,0,0]=4 924 B10R1.18 O=C(O)C=C1CCCCC1 MCULE-2830279446 [2,0,0,1,0,0|0,0,0]=3 925 B10R1.18 O=C(O)C=C1CCNCC1 MCULE-2946232230 [2,0,0,1,0,0|1,0,0]=4 926 B10R1.18 O=C(O)C=C1CCNCC1 MCULE-9183556093 [2,0,0,1,0,0|1,0,0]=4 927 B10R1.18 O=C(O)C=C1CCOCC1 MCULE-2596143817 [2,0,0,1,0,0|1,0,0]=4 928 B10R1.18 O=C(O)C=C1CCSCC1 MCULE-3222993494 [2,0,0,1,0,0|1,0,0]=4 929 B10R1.18 O=C(O)CC1=CCCCC1 MCULE-9909477927 [2,0,0,1,0,0|0,0,0]=3 930 B10R1.18 O=C(O)CC1=CCOCC1 MCULE-9800538477 [2,0,0,1,0,0|1,0,0]=4 931 B10R1.18 O=C(O)CC1C=CCCC1 MCULE-3207533436 [2,0,0,1,0,0|0,0,0]=3 932 B10R1.18 O=C(O)CC1CCCCC1 MCULE-3370925166 [2,0,0,1,0,0|0,0,0]=3 933 B10R1.18 O=C(O)CC1CCCCN1 MCULE-7593127940 [2,0,0,1,0,0|1,0,0]=4 934 B10R1.18 O=C(O)CC1CCCCN1 MCULE-7653711252 [2,0,0,1,0,0|1,0,0]=4 935 B10R1.18 O=C(O)CC1CCCCO1 MCULE-2711682647 [2,0,0,1,0,0|1,0,0]=4 936 B10R1.18 O=C(O)CC1CCCNC1 MCULE-3254470591 [2,0,0,1,0,0|1,0,0]=4 937 B10R1.18 O=C(O)CC1CCCNC1 MCULE-7958803985 [2,0,0,1,0,0|1,0,0]=4 938 B10R1.18 O=C(O)CC1CCCOC1 MCULE-5877605158 [2,0,0,1,0,0|1,0,0]=4 939 B10R1.18 O=C(O)CC1CCNCC1 MCULE-1130327966 [2,0,0,1,0,0|1,0,0]=4 940 B10R1.18 O=C(O)CC1CCNCC1 MCULE-2100213856 [2,0,0,1,0,0|1,0,0]=4 941 B10R1.18 O=C(O)CC1CCOCC1 MCULE-7878329119 [2,0,0,1,0,0|1,0,0]=4 942 B10R1.18 O=C(O)CC1CCSCC1 MCULE-3567762107 [2,0,0,1,0,0|1,0,0]=4 943 B10R1.18 O=C(O)CN1CCCCC1 MCULE-9137136186 [2,0,0,1,0,0|1,0,0]=4 944 B10R1.18 O=C(O)CN1CCCCC1 MCULE-9769416161 [2,0,0,1,0,0|1,0,0]=4 945 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-3905830299 [2,0,0,1,0,0|1,0,0]=4 946 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-5277218457 [2,0,0,1,0,0|1,0,0]=4 947 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-7510387772 [2,0,0,1,0,0|1,0,0]=4 948 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-5325818659 [2,0,0,1,0,0|1,0,0]=4 949 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-7001078313 [2,0,0,1,0,0|1,0,0]=4 950 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-8120215253 [2,0,0,1,0,0|1,0,0]=4 951 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-9602652995 [2,0,0,1,0,0|1,0,0]=4 952 B10R1.18 O=C(O)C[C@H]1CCCCN1 MCULE-3680996115 [2,0,0,1,0,0|1,0,0]=4 953 B10R1.18 O=C(O)C[C@H]1CCCCN1 MCULE-4674662417 [2,0,0,1,0,0|1,0,0]=4 954 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-1302740697 [2,0,0,1,0,0|1,0,0]=4 955 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-2509529219 [2,0,0,1,0,0|1,0,0]=4 956 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-3753473259 [2,0,0,1,0,0|1,0,0]=4 957 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-9619904988 [2,0,0,1,0,0|1,0,0]=4 958 B10R1.18 O=C(O)NC1CCCCC1 MCULE-5645794848 [2,0,0,1,0,0|1,0,0]=4 959 B10R1.24 CCCCCC1CC(=O)C1 MCULE-5494050284 [2,0,0,1,0,0|1,0,0]=4 960 B10R1.39 CCC1CCCC1C(=O)O MCULE-2134315765 [2,0,0,1,0,0|0,0,0]=3 961 B10R1.39 CCC1CCNC1C(=O)O MCULE-1392850907 [2,0,0,1,0,0|1,0,0]=4 962 B10R1.39 CCC1CCNC1C(=O)O MCULE-2618729884 [2,0,0,1,0,0|1,0,0]=4 963 B10R1.39 CCC1NCCC1C(=O)O MCULE-6308897662 [2,0,0,1,0,0|1,0,0]=4 964 B10R1.39 CCC1NCCC1C(=O)O MCULE-6989316364 [2,0,0,1,0,0|1,0,0]=4 965 B10R1.39 CCC1OCCC1C(=O)O MCULE-3029813377 [2,0,0,1,0,0|1,0,0]=4 966 B10R1.39 CCN1CCCC1C(=O)O MCULE-9170639085 [2,0,0,1,0,0|1,0,0]=4 967 B10R1.39 CCN1CCC[C@@H]1C(=O)O MCULE-6272401541 [2,0,0,1,0,0|1,0,0]=4 968 B10R1.39 CCN1CCC[C@H]1C(=O)O MCULE-4672768595 [2,0,0,1,0,0|1,0,0]=4 969 B10R1.39 CCN1CCC[C@H]1C(=O)O MCULE-5066096497 [2,0,0,1,0,0|1,0,0]=4 970 B10R1.39 CC[C@@H]1CNC[C@@H]1C(=O)O MCULE-8464460557 [2,0,0,1,0,0|1,0,0]=4 971 B10R1.39 CC[C@H]1CNC[C@H]1C(=O)O MCULE-2742804200 [2,0,0,1,0,0|1,0,0]=4 972 B10R1.39 COC1CCCC1C(=O)O MCULE-6165424004 [2,0,0,1,0,0|1,0,0]=4 973 B10R1.39 CSC1CCCC1C(=O)O MCULE-7830513386 [2,0,0,1,0,0|1,0,0]=4 974 B10R1.39 NCC1CCCC1C(=O)O MCULE-5775773821 [2,0,0,1,0,0|1,0,0]=4 975 B10R1.39 NCC1CCCC1C(=O)O MCULE-6872336527 [2,0,0,1,0,0|1,0,0]=4 976 B10R1.61 CC(=O)C1CCCCC1C MCULE-9283684652 [2,0,0,1,0,0|1,0,0]=4 977 B10R1.61 CC1CC=CCC1C(=O)O MCULE-9141456284 [2,0,0,1,0,0|0,0,0]=3 978 B10R1.61 CC1CCCC=C1C(=O)O MCULE-2002913109 [2,0,0,1,0,0|0,0,0]=3 979 B10R1.61 CC1CCCCC1C(=O)Cl MCULE-7597713129 [2,0,0,1,0,0|1,0,0]=4 980 B10R1.61 CC1CCCCC1C(=O)O MCULE-3305682191 [2,0,0,1,0,0|0,0,0]=3 981 B10R1.61 CC1CCNCC1C(=O)O MCULE-8748624987 [2,0,0,1,0,0|1,0,0]=4 982 B10R1.61 CC1CCNCC1C(=O)O MCULE-9934986088 [2,0,0,1,0,0|1,0,0]=4 983 B10R1.61 CC1CNCCC1C(=O)O MCULE-4662714630 [2,0,0,1,0,0|1,0,0]=4 984 B10R1.61 CC1CNCCC1C(=O)O MCULE-7019458300 [2,0,0,1,0,0|1,0,0]=4 985 B10R1.61 CC1COCCC1C(=O)O MCULE-3541844170 [2,0,0,1,0,0|1,0,0]=4 986 B10R1.61 CC1NCCCC1C(=O)O MCULE-1657397096 [2,0,0,1,0,0|1,0,0]=4 987 B10R1.61 CC1NCCCC1C(=O)O MCULE-3297923255 [2,0,0,1,0,0|1,0,0]=4 988 B10R1.61 CC1OCCCC1C(=O)O MCULE-1412449239 [2,0,0,1,0,0|1,0,0]=4 989 B10R1.61 CN1CCCCC1C(=O)O MCULE-3456275150 [2,0,0,1,0,0|1,0,0]=4 990 B10R1.61 CN1CCCCC1C(=O)O MCULE-6372652181 [2,0,0,1,0,0|1,0,0]=4 991 B10R1.61 CN1CCCCC1C(=O)O MCULE-7834522939 [2,0,0,1,0,0|1,0,0]=4 992 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-2245294368 [2,0,0,1,0,0|1,0,0]=4 993 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-2258119449 [2,0,0,1,0,0|1,0,0]=4 994 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-4757725445 [2,0,0,1,0,0|1,0,0]=4 995 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-9648696079 [2,0,0,1,0,0|1,0,0]=4 996 B10R1.61 CN1CCCC[C@H]1C(=O)O MCULE-5396822712 [2,0,0,1,0,0|1,0,0]=4 997 B10R1.61 CN1CCCC[C@H]1C(=O)O MCULE-5529863786 [2,0,0,1,0,0|1,0,0]=4 998 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O MCULE-5453839569 [2,0,0,1,0,0|1,0,0]=4 999 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O MCULE-8712948607 [2,0,0,1,0,0|1,0,0]=4 1000 B10R1.61 C[C@@H]1NCCC[C@H]1C(=O)O MCULE-4097586923 [2,0,0,1,0,0|1,0,0]=4 1001 B10R1.61 C[C@H]1NCCC[C@@H]1C(=O)O MCULE-1705027594 [2,0,0,1,0,0|1,0,0]=4 1002 B10R1.61 C[C@H]1NCCC[C@H]1C(=O)O MCULE-8221283836 [2,0,0,1,0,0|1,0,0]=4 1003 B10R1.61 C[C@H]1NCCC[C@H]1C(=O)O MCULE-8542699735 [2,0,0,1,0,0|1,0,0]=4 1004 B10R1.61 C[C@H]1OCCC[C@H]1C(=O)O MCULE-9860065784 [2,0,0,1,0,0|1,0,0]=4 1005 B10R1.61 NC1CC=CCC1C(=O)O MCULE-1611474561 [2,0,0,1,0,0|1,0,0]=4 1006 B10R1.61 NC1CC=CCC1C(=O)O MCULE-7218542670 [2,0,0,1,0,0|1,0,0]=4 1007 B10R1.61 NC1CCCCC1C(=O)O MCULE-4736252154 [2,0,0,1,0,0|1,0,0]=4 1008 B10R1.61 NC1CCCCC1C(=O)O MCULE-6203238767 [2,0,0,1,0,0|1,0,0]=4 1009 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O MCULE-2340179433 [2,0,0,1,0,0|1,0,0]=4 1010 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O MCULE-5382709957 [2,0,0,1,0,0|1,0,0]=4 1011 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O MCULE-5760660665 [2,0,0,1,0,0|1,0,0]=4 1012 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O MCULE-7312327841 [2,0,0,1,0,0|1,0,0]=4 1013 B10R1.61 N[C@@H]1CC=CC[C@H]1C(=O)O MCULE-6730051789 [2,0,0,1,0,0|1,0,0]=4 1014 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-1790728170 [2,0,0,1,0,0|1,0,0]=4 1015 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-3150171920 [2,0,0,1,0,0|1,0,0]=4 1016 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-4600025587 [2,0,0,1,0,0|1,0,0]=4 1017 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-9708582870 [2,0,0,1,0,0|1,0,0]=4 1018 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-3088249896 [2,0,0,1,0,0|1,0,0]=4 1019 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-4663931442 [2,0,0,1,0,0|1,0,0]=4 1020 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-6017464144 [2,0,0,1,0,0|1,0,0]=4 1021 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-9507759371 [2,0,0,1,0,0|1,0,0]=4 1022 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O MCULE-2088008231 [2,0,0,1,0,0|1,0,0]=4 1023 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O MCULE-2783014205 [2,0,0,1,0,0|1,0,0]=4 1024 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O MCULE-4211428411 [2,0,0,1,0,0|1,0,0]=4 1025 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O MCULE-6091505598 [2,0,0,1,0,0|1,0,0]=4 1026 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-2040720562 [2,0,0,1,0,0|1,0,0]=4 1027 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-5411687824 [2,0,0,1,0,0|1,0,0]=4 1028 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-6353451287 [2,0,0,1,0,0|1,0,0]=4 1029 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-9744443114 [2,0,0,1,0,0|1,0,0]=4 1030 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-1070315128 [2,0,0,1,0,0|1,0,0]=4 1031 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-2665445473 [2,0,0,1,0,0|1,0,0]=4 1032 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-5776301031 [2,0,0,1,0,0|1,0,0]=4 1033 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-7183400727 [2,0,0,1,0,0|1,0,0]=4 1034 B10R1.61 O=C(O)C1CCCCC1F MCULE-9495362772 [2,0,0,1,0,0|1,0,0]=4 1035 B10R1.61 O=C(O)C1CCCCC1O MCULE-4502285714 [2,0,0,1,0,0|1,0,0]=4 1036 B10R1.64 CC1CCCC1CC(=O)O MCULE-1034129697 [2,0,0,1,0,0|0,0,0]=3 1037 B10R1.64 CC1CCCN1CC(=O)O MCULE-5477147476 [2,0,0,1,0,0|1,0,0]=4 1038 B10R1.64 CC1CCCN1CC(=O)O MCULE-7787437864 [2,0,0,1,0,0|1,0,0]=4 1039 B10R1.64 CC1OCCC1CC(=O)O MCULE-3630286814 [2,0,0,1,0,0|1,0,0]=4 1040 B10R1.64 CN1CCCC1CC(=O)O MCULE-1900515698 [2,0,0,1,0,0|1,0,0]=4 1041 B10R1.64 CN1CCCC1CC(=O)O MCULE-4392051296 [2,0,0,1,0,0|1,0,0]=4 1042 B10R1.64 CN1CCC[C@H]1CC(=O)O MCULE-2926738632 [2,0,0,1,0,0|1,0,0]=4 1043 B10R1.64 NC1CCCC1CC(=O)O MCULE-7275948763 [2,0,0,1,0,0|1,0,0]=4 1044 B10R1.64 NC1CCCC1CC(=O)O MCULE-7852876693 [2,0,0,1,0,0|1,0,0]=4 1045 B10R1.66 CC(=O)CCC1CCCC1 MCULE-9602514524 [2,0,0,1,0,0|1,0,0]=4 1046 B10R1.66 NC(=O)CCC1CCCC1 MCULE-6308384459 [2,0,0,1,0,0|1,0,0]=4 1047 B10R1.66 O=C(Cl)C=CC1CCCC1 MCULE-3150169908 [2,0,0,1,0,0|1,0,0]=4 1048 B10R1.66 O=C(Cl)CCC1CCCC1 MCULE-6098498258 [2,0,0,1,0,0|1,0,0]=4 1049 B10R1.66 O=C(O)/C=C/C1CCCC1 MCULE-5196632480 [2,0,0,1,0,0|0,0,0]=3 1050 B10R1.66 O=C(O)C=CC1CCCC1 MCULE-4492328269 [2,0,0,1,0,0|0,0,0]=3 1051 B10R1.66 O=C(O)C=CC1CCCO1 MCULE-7330043473 [2,0,0,1,0,0|1,0,0]=4 1052 B10R1.66 O=C(O)C=CC1CCOC1 MCULE-5170193830 [2,0,0,1,0,0|1,0,0]=4 1053 B10R1.66 O=C(O)CCC1CCCC1 MCULE-4583118303 [2,0,0,1,0,0|0,0,0]=3 1054 B10R1.66 O=C(O)CCC1CCCN1 MCULE-2613608732 [2,0,0,1,0,0|1,0,0]=4 1055 B10R1.66 O=C(O)CCC1CCCN1 MCULE-8814917549 [2,0,0,1,0,0|1,0,0]=4 1056 B10R1.66 O=C(O)CCC1CCCO1 MCULE-4111498968 [2,0,0,1,0,0|1,0,0]=4 1057 B10R1.66 O=C(O)CCC1CCNC1 MCULE-8082069026 [2,0,0,1,0,0|1,0,0]=4 1058 B10R1.66 O=C(O)CCC1CCNC1 MCULE-8359539011 [2,0,0,1,0,0|1,0,0]=4 1059 B10R1.66 O=C(O)CCC1CCOC1 MCULE-9339795680 [2,0,0,1,0,0|1,0,0]=4 1060 B10R1.66 O=C(O)CCN1CCCC1 MCULE-4735526690 [2,0,0,1,0,0|1,0,0]=4 1061 B10R1.66 O=C(O)CCN1CCCC1 MCULE-6724732496 [2,0,0,1,0,0|1,0,0]=4 1062 B10R1.66 O=C(O)CC[C@@H]1CCCN1 MCULE-9918992229 [2,0,0,1,0,0|1,0,0]=4 1063 B10R1.66 O=C(O)CC[C@@H]1CCCO1 MCULE-8942407071 [2,0,0,1,0,0|1,0,0]=4 1064 B10R1.66 O=C(O)CC[C@H]1CCCO1 MCULE-8877470669 [2,0,0,1,0,0|1,0,0]=4 1065 B10R1.66 O=C(O)CNC1CCCC1 MCULE-2656159228 [2,0,0,1,0,0|1,0,0]=4 1066 B10R1.66 O=C(O)CNC1CCCC1 MCULE-9561013929 [2,0,0,1,0,0|1,0,0]=4 1067 B10R1.66 O=C(O)COC1CCCC1 MCULE-2079008170 [2,0,0,1,0,0|1,0,0]=4 1068 B10R1.66 O=C(O)CSC1CCCC1 MCULE-7601914378 [2,0,0,1,0,0|1,0,0]=4 1069 B10R1.78 O=C1CCCCCCCC1 MCULE-1205201333 [2,0,0,1,0,0|1,0,0]=4 1070 B10R1.78 O=C1CCCCCCCN1 MCULE-2754830482 [2,0,0,1,0,0|1,0,0]=4 1071 B10R1.78 O=C1CCCCCCCO1 MCULE-8839309567 [2,0,0,1,0,0|0,0,0]=3 1072 B10R1.86 C1(CCN1CCC)C(=O)O MCULE-6068820697 [2,0,0,1,0,0|1,0,0]=4 1073 B10R1.86 CCCN1CCC1C(=O)O MCULE-3134623791 [2,0,0,1,0,0|1,0,0]=4 1074 B10R1.86 CCCN1CC[C@H]1C(=O)O MCULE-3091851598 [2,0,0,1,0,0|1,0,0]=4 1075 B10R1.86 CCCN1CC[C@H]1C(=O)O MCULE-5611349990 [2,0,0,1,0,0|1,0,0]=4 1076 B10R1.126 O=C(O)CCCCC1CC1 MCULE-2606424315 [2,0,0,1,0,0|0,0,0]=3 1077 B10R1.126 O=C(O)CCNCC1CC1 MCULE-5098818326 [2,0,0,1,0,0|1,0,0]=4 1078 B10R1.126 O=C(O)CCOCC1CC1 MCULE-4509324999 [2,0,0,1,0,0|1,0,0]=4 1079 B10R1.126 O=C(O)CCSCC1CC1 MCULE-6245691771 [2,0,0,1,0,0|1,0,0]=4 1080 B10R1.127 O=C(O)CCCC1CCC1 MCULE-4719788416 [2,0,0,1,0,0|0,0,0]=3 1081 B10R1.127 O=C(O)COCC1CCC1 MCULE-7673852901 [2,0,0,1,0,0|1,0,0]=4 1082 B10R1.144 CCCCC1CC1C(=O)O MCULE-5737299312 [2,0,0,1,0,0|0,0,0]=3 1083 B10R1.348 CC(=O)C1CCCCCC1 MCULE-9324503120 [2,0,0,1,0,0|1,0,0]=4 1084 B10R1.348 NC(=O)C1CCCCCC1 MCULE-2005648941 [2,0,0,1,0,0|1,0,0]=4 1085 B10R1.348 O=C(Cl)C1CCCCCC1 MCULE-4659434885 [2,0,0,1,0,0|1,0,0]=4 1086 B10R1.348 O=C(O)C1=CCCCCC1 MCULE-5438079704 [2,0,0,1,0,0|0,0,0]=3 1087 B10R1.348 O=C(O)C1=CCCOCC1 MCULE-6315041103 [2,0,0,1,0,0|1,0,0]=4 1088 B10R1.348 O=C(O)C1CCCCCC1 MCULE-7903672891 [2,0,0,1,0,0|0,0,0]=3 1089 B10R1.348 O=C(O)C1CCCCCN1 MCULE-2741684183 [2,0,0,1,0,0|1,0,0]=4 1090 B10R1.348 O=C(O)C1CCCCCN1 MCULE-7374703751 [2,0,0,1,0,0|1,0,0]=4 1091 B10R1.348 O=C(O)C1CCCCNC1 MCULE-3392190626 [2,0,0,1,0,0|1,0,0]=4 1092 B10R1.348 O=C(O)C1CCCCNC1 MCULE-7795043703 [2,0,0,1,0,0|1,0,0]=4 1093 B10R1.348 O=C(O)C1CCCNCC1 MCULE-7690110773 [2,0,0,1,0,0|1,0,0]=4 1094 B10R1.348 O=C(O)C1CCCNCC1 MCULE-9766781803 [2,0,0,1,0,0|1,0,0]=4 1095 B10R1.348 O=C(O)C1CCCOCC1 MCULE-9318516869 [2,0,0,1,0,0|1,0,0]=4 1096 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-2016813857 [2,0,0,1,0,0|1,0,0]=4 1097 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-2504826586 [2,0,0,1,0,0|1,0,0]=4 1098 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-4939523441 [2,0,0,1,0,0|1,0,0]=4 1099 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-8497154031 [2,0,0,1,0,0|1,0,0]=4 1100 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-1709248067 [2,0,0,1,0,0|1,0,0]=4 1101 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-4607599990 [2,0,0,1,0,0|1,0,0]=4 1102 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-4947785395 [2,0,0,1,0,0|1,0,0]=4 1103 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-8502245212 [2,0,0,1,0,0|1,0,0]=4 1104 B10R1.348 O=C(O)[C@H]1CCCNCC1 MCULE-2658567129 [2,0,0,1,0,0|1,0,0]=4 1105 B10R1.4 CCCC1CCCCC1=O MCULE-3320705054 [2,0,0,1,0,0|0,0,1]=4 1106 B10R1.7 CC1CCCCCCC1=O MCULE-5002473983 [2,0,0,1,0,0|0,0,1]=4 1107 B10R1.17 O=CCCC1CCCCC1 MCULE-7542460978 [2,0,0,1,0,0|0,0,1]=4 1108 B10R1.17 O=CCCN1CCCCC1 MCULE-1060522965 [2,0,0,1,0,0|1,0,0]=4 1109 B10R1.19 CCC1CCCCCC1=O MCULE-8032779658 [2,0,0,1,0,0|0,0,1]=4 1110 B10R1.20 CCC1CCCCC1C=O MCULE-1484578990 [2,0,0,1,0,0|0,0,1]=4 1111 B10R1.21 CCCCCC1=CC=CO1 MCULE-7495475438 [2,0,0,1,0,0|0,0,1]=4 1112 B10R1.21 O=CCCOC1CCCC1 MCULE-7685598743 [2,0,0,1,0,0|1,0,0]=4 1113 B10R1.29 CCCCC1=CCCC1=O MCULE-3298793962 [2,0,0,1,0,0|0,0,0]=3 1114 B10R1.29 CCCCC1CCCC1=O MCULE-7853231747 [2,0,0,1,0,0|0,0,1]=4 1115 B10R1.85 NCCC1=CCCCCC1 MCULE-4125734570 [2,0,0,1,0,0|1,0,0]=4 1116 B10R1.85 NCCC1=CCCCCC1 MCULE-6059430273 [2,0,0,1,0,0|1,0,0]=4 1117 B10R1.85 O=CCC1CCCCCC1 MCULE-6382907203 [2,0,0,1,0,0|0,0,1]=4 1118 B10R1.161 O=CC1CCCCCCC1 MCULE-6277104874 [2,0,0,1,0,0|0,0,1]=4 1119 B12R1.107 CC(CC(=O)O)C1CCCCC1 MCULE-5146752612 [1,1,0,1,0,0|0,0,1]=4 1120 B12R1.107 CC(CC(=O)O)N1CCCCC1 MCULE-5546995806 [1,1,0,1,0,0|1,0,0]=4 1121 B12R1.107 CC(CC(=O)O)N1CCCCC1 MCULE-8811572713 [1,1,0,1,0,0|1,0,0]=4 1122 B12R1.107 NC(CC(=O)O)C1CCCCC1 MCULE-3734527997 [1,1,0,1,0,0|0,0,1]=4 1123 B12R1.107 NC(CC(=O)O)C1CCCCC1 MCULE-8095164306 [1,1,0,1,0,0|0,0,1]=4 1124 B12R1.107 N[C@@H](CC(=O)O)C1CCCCC1 MCULE-1722747072 [1,1,0,1,0,0|0,0,1]=4 1125 B12R1.107 N[C@@H](CC(=O)O)C1CCCCC1 MCULE-4345050528 [1,1,0,1,0,0|0,0,1]=4 1126 B12R1.107 N[C@@H](CC(=O)O)C1CCCCC1 MCULE-6774023632 [1,1,0,1,0,0|0,0,1]=4 1127 B12R1.107 N[C@H](CC(=O)O)C1CCCCC1 MCULE-5426257730 [1,1,0,1,0,0|0,0,1]=4 1128 B12R1.107 N[C@H](CC(=O)O)C1CCCCC1 MCULE-6223565506 [1,1,0,1,0,0|0,0,1]=4 1129 B12R1.107 N[C@H](CC(=O)O)C1CCCCC1 MCULE-8271946680 [1,1,0,1,0,0|0,0,1]=4 1130 B12R1.107 N[C@H](CC(=O)O)C1CCCCC1 MCULE-9947760299 [1,1,0,1,0,0|0,0,1]=4 1131 B12R1.874 O=C(O)CC1CCCCC(=O)N1 MCULE-9763824152 [1,1,0,1,0,0|1,0,0]=4 1132 B12R1.1829 NC1(CCCCCC1)CC(=O)O MCULE-6494985992 [1,1,0,1,0,0|0,0,1]=4 1133 B12R1.1829 NC1(CCCCCC1)CC(=O)O MCULE-6930845885 [1,1,0,1,0,0|0,0,1]=4 1134 B12R1.1829 O=C(O)CC1(CCCCCC1)O MCULE-4067052677 [1,1,0,1,0,0|0,0,1]=4 1135 B12R1.226 CC1CCCN(C1)CCC(=O)O MCULE-1932078578 [1,1,0,1,0,0|1,0,0]=4 1136 B12R1.226 CC1CCCN(C1)CCC(=O)O MCULE-5507374908 [1,1,0,1,0,0|1,0,0]=4 1137 B12R1.226 NC1CCCC(C1)CCC(=O)O MCULE-1427868111 [1,1,0,1,0,0|0,0,1]=4 1138 B12R1.391 CC1(CCCCC1CC(=O)O)C MCULE-6771932074 [1,1,0,1,0,0|0,0,1]=4 1139 B12R1.1011 O=C1CCCCCC(C1)C(=O)O MCULE-3072060660 [1,1,0,1,0,0|0,0,0]=3 1140 B12R1.27 COC(=O)CCC1CCCCC1 MCULE-4982130149 [1,1,0,1,0,0|0,0,1]=4 1141 B12R1.27 COC(=O)CCN1CCCCC1 MCULE-8363403616 [1,1,0,1,0,0|1,0,0]=4 1142 B12R1.27 COC(=O)CCN1CCCCC1 MCULE-9158799668 [1,1,0,1,0,0|1,0,0]=4 1143 B12R1.27 O=C(CCC1CCCCC1)NO MCULE-7475709240 [1,1,0,1,0,0|0,0,1]=4 1144 B12R1.477 COC(=O)CCNC1CCCC1 MCULE-8194716372 [1,1,0,1,0,0|1,0,0]=4 1145 B12R1.1659 COC(=O)C1CCCCCCC1 MCULE-8407585180 [1,1,0,1,0,0|0,0,1]=4 1146 B12R1.1748 COC(=O)CC1CCCCCC1 MCULE-5471448909 [1,1,0,1,0,0|0,0,1]=4 1147 B12R1.43 CC(CC1CCCCC1)C(=O)O MCULE-5593770209 [1,1,0,1,0,0|0,0,1]=4 1148 B12R1.43 CC(CN1CCCCC1)C(=O)O MCULE-1034953096 [1,1,0,1,0,0|1,0,0]=4 1149 B12R1.43 CC(CN1CCCCC1)C(=O)O MCULE-2445155741 [1,1,0,1,0,0|1,0,0]=4 1150 B12R1.43 C[C@H](CC1CCCCC1)C(=O)O MCULE-1498161955 [1,1,0,1,0,0|0,0,1]=4 1151 B12R1.43 NC(CC1CCCCC1)C(=O)O MCULE-4231962732 [1,1,0,1,0,0|0,0,1]=4 1152 B12R1.43 NC(CC1CCCCC1)C(=O)O MCULE-5441238803 [1,1,0,1,0,0|0,0,1]=4 1153 B12R1.43 NC(CC1CCCCC1)C(=O)O MCULE-5559107138 [1,1,0,1,0,0|0,0,1]=4 1154 B12R1.43 NC(CC1CCCCC1)C(=O)O MCULE-9351196605 [1,1,0,1,0,0|0,0,1]=4 1155 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O MCULE-1782298917 [1,1,0,1,0,0|0,0,1]=4 1156 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O MCULE-1829182577 [1,1,0,1,0,0|0,0,1]=4 1157 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O MCULE-2645618623 [1,1,0,1,0,0|0,0,1]=4 1158 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O MCULE-8551085565 [1,1,0,1,0,0|0,0,1]=4 1159 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O MCULE-3421636940 [1,1,0,1,0,0|0,0,1]=4 1160 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O MCULE-4892184412 [1,1,0,1,0,0|0,0,1]=4 1161 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O MCULE-5098090144 [1,1,0,1,0,0|0,0,1]=4 1162 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O MCULE-8153309063 [1,1,0,1,0,0|0,0,1]=4 1163 B12R1.43 O=C(O)C(F)CC1CCCCC1 MCULE-7464253405 [1,1,0,1,0,0|0,0,1]=4 1164 B12R1.43 O=C(O)C(O)CC1CCCCC1 MCULE-9641279057 [1,1,0,1,0,0|0,0,1]=4 1165 B12R1.43 O=C(O)[C@@H](O)CC1CCCCC1 MCULE-2560030099 [1,1,0,1,0,0|0,0,1]=4 1166 B12R1.43 O=C(O)[C@H](O)CC1CCCCC1 MCULE-1111579897 [1,1,0,1,0,0|0,0,1]=4 1167 B12R1.43 O=C(O)[C@H](O)CC1CCCCC1 MCULE-1257034455 [1,1,0,1,0,0|0,0,1]=4 1168 B12R1.337 CCCCC1NC(CS1)C(=O)O MCULE-3670233740 [1,1,0,1,0,0|1,0,0]=4 1169 B12R1.1385 NC1(CCCCCCC1)C(=O)O MCULE-6266027658 [1,1,0,1,0,0|0,0,1]=4 1170 B12R1.2197 C(N)(C(=O)O)C1CCCCCC1 MCULE-6964253676 [1,1,0,1,0,0|0,0,1]=4 1171 B12R1.2197 NC(C(=O)O)C1CCCCCC1 MCULE-6624049364 [1,1,0,1,0,0|0,0,1]=4 1172 B12R1.2197 NC(C(=O)O)C1CCCCCC1 MCULE-8004618459 [1,1,0,1,0,0|0,0,1]=4 1173 B12R1.2197 N[C@@H](C(=O)O)C1CCCCCC1 MCULE-1678135453 [1,1,0,1,0,0|0,0,1]=4 1174 B12R1.2197 N[C@@H](C(=O)O)C1CCCCCC1 MCULE-4899000866 [1,1,0,1,0,0|0,0,1]=4 1175 B12R1.2197 N[C@H](C(=O)O)C1CCCCCC1 MCULE-4407848265 [1,1,0,1,0,0|0,0,1]=4 1176 B12R1.2197 N[C@H](C(=O)O)C1CCCCCC1 MCULE-5410436039 [1,1,0,1,0,0|0,0,1]=4 1177 B12R1.2197 O=C(O)C(O)C1CCCCCC1 MCULE-8206008473 [1,1,0,1,0,0|0,0,1]=4 1178 B12R1.54 O=C(O)CCC(=O)C1CCCC1 MCULE-4029687060 [1,1,0,1,0,0|0,0,0]=3 1179 B12R1.54 O=C(O)CCC(=O)N1CCCC1 MCULE-5028290066 [1,1,0,1,0,0|1,0,0]=4 1180 B12R1.54 O=C(O)CNC(=O)C1CCCC1 MCULE-5901743102 [1,1,0,1,0,0|1,0,0]=4 1181 B12R1.59 CCC1CCC(C1)CCC(=O)O MCULE-7730890965 [1,1,0,1,0,0|0,0,1]=4 1182 B12R1.552 O=C(O)CCC(=O)NCC1CC1 MCULE-3412392311 [1,1,0,1,0,0|1,0,0]=4 1183 B12R1.3110 CC1(CCCCC1)CCC(=O)O MCULE-4030655928 [1,1,0,1,0,0|0,0,1]=4 1184 B12R1.3110 NC1(CCCCC1)CCC(=O)O MCULE-7944829065 [1,1,0,1,0,0|0,0,1]=4 1185 B12R1.3110 NC1(CCCCC1)CCC(=O)O MCULE-8909515747 [1,1,0,1,0,0|0,0,1]=4 1186 B12R1.21 CC1CCN(CC1)CCC(=O)O MCULE-2878454112 [1,1,0,1,0,0|1,0,0]=4 1187 B12R1.21 CC1CC[NH+](CC1)CCC(=O)O MCULE-8844394642 [1,1,0,1,0,0|1,0,0]=4 1188 B12R1.21 C[C@H]1CC[C@@H](CC1)CCC(=O)O MCULE-7082492863 [1,1,0,1,0,0|0,0,1]=4 1189 B12R1.21 NC1CCC(CC1)CCC(=O)O MCULE-3578215541 [1,1,0,1,0,0|0,0,1]=4 1190 B12R1.21 O=C(O)CCN1CCC(CC1)O MCULE-9235280130 [1,1,0,1,0,0|1,0,0]=4 1191 B12R1.21 O=C(O)CCN1CCC(CC1)O MCULE-9990533659 [1,1,0,1,0,0|1,0,0]=4 1192 B12R1.1238 CC1CC1C(=O)NCCC(=O)O MCULE-4926198449 [1,1,0,1,0,0|1,0,0]=4 1193 B12R1.1357 O=C(O)CCCC(=O)C1CCC1 MCULE-4094454547 [1,1,0,1,0,0|0,0,1]=4 1194 B12R1.1357 O=C(O)CCNC(=O)C1CCC1 MCULE-2845215122 [1,1,0,1,0,0|1,0,0]=4 1195 B12R1.372 CCCCCCC1=CCCC1=O MCULE-1287633510 [1,1,0,1,0,0|0,0,0]=3 1196 B12R1.567 CCCCCC1=C(CCC1=O)C MCULE-6930955162 [1,1,0,1,0,0|0,0,0]=3 1197 B12R2.24 O=C1CCC2=C(N1)CCCC2 MCULE-7408822423 [1,0,0,2,0,0|1,0,0]=4 1198 B12R2.24 O=C1CCC2=C(O1)CCCC2 MCULE-3616070284 [1,0,0,2,0,0|0,0,0]=3 1199 B12R2.24 O=C1CCC2CCCCC2O1 MCULE-8264574980 [1,0,0,2,0,0|0,0,1]=4 1200 B12R2.1081 O=C1CCCC2C1CC=CC2 MCULE-1897949638 [1,0,0,2,0,0|1,0,0]=4 1201 B12R2.2918 O=C1CCC2(O1)CCCCC2 MCULE-2524698119 [1,0,0,2,0,0|0,0,1]=4 1202 B12R2.1392 O=C(O)C1CC2CCC1CC2 MCULE-2962671213 [1,0,0,2,0,0|0,0,1]=4 1203 B12R2.1392 O=C(O)C1CC2CCC1CC2 MCULE-3818372379 [1,0,0,2,0,0|0,0,1]=4 1204 B12R2.1392 O=C(O)C1CN2CCC1CC2 MCULE-4064016827 [1,0,0,2,0,0|1,0,0]=4 1205 B12R2.1392 O=C(O)C1CN2CCC1CC2 MCULE-6075389298 [1,0,0,2,0,0|1,0,0]=4 1206 B12R2.1392 O=C(O)[C@@H]1CC2CCC1CC2 MCULE-1144961730 [1,0,0,2,0,0|0,0,1]=4 1207 B12R2.1392 O=C(O)[C@H]1CC2CCC1CC2 MCULE-5079027279 [1,0,0,2,0,0|0,0,1]=4 1208 B12R2.1392 O=C(O)[C@H]1CC2CCC1CC2 MCULE-9891734674 [1,0,0,2,0,0|0,0,1]=4 1209 B12R2.1362 O=C(O)[C@H]1CC[C@H]2[C@@H]1CCC2 MCULE-1396695643 [1,0,0,2,0,0|0,0,1]=4 1210 B12R2.1661 O=C(O)CC1CC2CCC1C2 MCULE-5339221610 [1,0,0,2,0,0|0,0,1]=4 1211 B12R2.1661 [C@@H]12CC[C@@H](C1)C(C2)CC(=O)O MCULE-3421570833 [1,0,0,2,0,0|0,0,1]=4 1212 B12R2.1661 [C@@H]12CC[C@@H](C1)C(C2)CC(=O)O MCULE-7337271479 [1,0,0,2,0,0|0,0,1]=4 1213 B12R2.1067 O=C1NC2C1CCCCC=C2 MCULE-1040768888 [1,0,0,2,0,0|1,0,0]=4 1214 B12R2.250 O=C(O)C1CC12CCCCC2 MCULE-2503310018 [1,0,0,2,0,0|0,0,1]=4 1215 B12R2.1655 O=C(O)CC1CCC2CC2C1 MCULE-6785284610 [1,0,0,2,0,0|0,0,1]=4 1216 B12R2.1123 CC1CC2CC2CC1C(=O)O MCULE-3032434503 [1,0,0,2,0,0|0,0,1]=4 1217 B12R2.1354 O=C(O)C1CC1C2CCCC2 MCULE-3947048694 [1,0,0,2,0,0|0,0,1]=4 1218 B12R2.1410 O=C(O)C1CNCC12CCC2 MCULE-1324368905 [1,0,0,2,0,0|1,0,0]=4 1219 B12R2.1410 O=C(O)C1CNCC12CCC2 MCULE-1600694277 [1,0,0,2,0,0|1,0,0]=4 1220 B12R2.3066 O=C(O)C12CCCC1CNC2 MCULE-5852776318 [1,0,0,2,0,0|1,0,0]=4 1221 B12R2.3066 O=C(O)C12CCCC1CNC2 MCULE-6709184550 [1,0,0,2,0,0|1,0,0]=4 1222 B12R2.3066 O=C(O)[C@]12CCC[C@H]1CNC2 MCULE-1797980809 [1,0,0,2,0,0|1,0,0]=4 1223 B12R2.3066 [C@@H]12CCC[C@@]1(CNC2)C(=O)O MCULE-1745522148 [1,0,0,2,0,0|1,0,0]=4 1224 B12R2.1385 O=C(O)C1CCC2CC2CC1 MCULE-2590977388 [1,0,0,2,0,0|0,0,1]=4 1225 B14R1.807 CC(CC(=O)O)NC(=O)C1CCCC1 MCULE-1091538315 [0,2,0,1,0,0|1,0,0]=4 1226 B14R1.423 O=C(O)CCC(=O)NC1CCCCC1 MCULE-5245682994 [0,2,0,1,0,0|0,0,1]=4 1227 B14R1.423 O=C(O)CCC(=O)NC1CCOCC1 MCULE-6043752545 [0,2,0,1,0,0|1,0,0]=4 1228 B14R1.423 O=C(O)CCC(=O)OC1CCCCC1 MCULE-3232226766 [0,2,0,1,0,0|0,0,1]=4 1229 B14R1.667 CCCCN1C=C(C=N1)CCC(=O)O MCULE-7843136526 [0,2,0,1,0,0|1,0,0]=4 1230 B14R1.418 O=C(O)CCCCC(=O)C1CCCC1 MCULE-3005745030 [0,2,0,1,0,0|0,0,1]=4 1231 B14R1.420 O=C(O)CCCC(=O)C1CCCCC1 MCULE-2351809970 [0,2,0,1,0,0|0,0,1]=4 1232 B14R1.420 O=C(O)CCCC(=O)N1CCCCC1 MCULE-3828471263 [0,2,0,1,0,0|0,0,1]=4 1233 B14R1.420 O=C(O)CCNC(=O)C1CCCCC1 MCULE-6454839495 [0,2,0,1,0,0|0,0,1]=4 1234 B14R1.420 O=C(O)CCNC(=O)C1CCOCC1 MCULE-4192648222 [0,2,0,1,0,0|1,0,0]=4 1235 B14R1.420 O=C(O)COCC(=O)N1CCCCC1 MCULE-9575939475 [0,2,0,1,0,0|1,0,0]=4 1236 B14R1.420 O=C(O)CSCC(=O)N1CCCCC1 MCULE-2625108216 [0,2,0,1,0,0|1,0,0]=4 1237 B14R1.678 CC1CCN(CC1)C(=O)CCC(=O)O MCULE-5044073310 [0,2,0,1,0,0|1,0,0]=4 1238 B14R1.678 O=C(O)CCC(=O)N1CCC(CC1)O MCULE-3542946750 [0,2,0,1,0,0|1,0,0]=4 1239 B14R1.770 CCCCC1CC(=O)CC1CC(=O)O MCULE-1504120970 [0,2,0,1,0,0|0,0,1]=4 1240 B14R1.810 O=C(O)CCCC(=O)NC1CCCC1 MCULE-1782839231 [0,2,0,1,0,0|0,0,1]=4 1241 B14R1.893 CCCCCN1CC(CC1=O)C(=O)O MCULE-3306517102 [0,2,0,1,0,0|1,0,0]=4 1242 B14R1.10371 O=C(O)CCC(=O)N1CCCCCC1 MCULE-5724348119 [0,2,0,1,0,0|0,0,1]=4 1243 B14R1.5977 CC(=O)CCC1=C(CCCC1(C)C)C MCULE-9484165226 [0,2,0,1,0,0|1,0,0]=4 1244 B14R1.4526 O=C(O)CCC(=O)NCC1CCCO1 MCULE-4594785694 [0,2,0,1,0,0|1,0,0]=4 1245 B14R1.4526 O=C(O)CCC(=O)OCC1CCCO1 MCULE-2948733692 [0,2,0,1,0,0|1,0,0]=4 1246 B14R1.5098 CCCN1CCNC(=O)C1CC(=O)O MCULE-9179205097 [0,2,0,1,0,0|1,0,0]=4 1247 B14R2.8548 O=C1CCC2(CCCC2C1)C(=O)O MCULE-5215672177 [0,1,0,2,0,0|0,0,1]=4 1248 B14R2.24358 C12CCC(=O)N1CC(CC2)C(=O)O MCULE-5545883106 [0,1,0,2,0,0|1,0,0]=4 1249 B14R2.24358 O=C(O)[C@H]1CC[C@@H]2CCC(=O)N2C1 MCULE-4733116955 [0,1,0,2,0,0|1,0,0]=4 1250 B14R2.24358 [C@@H]12CCC(=O)N1C[C@H](CC2)C(=O)O MCULE-5786040812 [0,1,0,2,0,0|1,0,0]=4 1251 B14R2.24358 [C@@H]12CCC(=O)N1C[C@H](CC2)C(=O)O MCULE-5817953800 [0,1,0,2,0,0|1,0,0]=4 1252 B14R2.40991 O=C1CC2(CCC2)C(CN1)C(=O)O MCULE-4852044238 [0,1,0,2,0,0|1,0,0]=4 1253 B14R2.25704 O=C1CC(C2(O1)CCCC2)C(=O)O MCULE-5151845779 [0,1,0,2,0,0|1,0,0]=4