0 B11R0.40 CCCCC/C=C/CC(=O)OC MCULE-2579151246 [0,0,0,0,0,0|0,0,3]=3 1 B11R0.40 CCCCCCC#CC(=O)OC MCULE-7877194626 [0,0,0,0,0,0|0,0,0]=0 2 B11R0.40 CCCCCCC=CC(=O)OC MCULE-3102057992 [0,0,0,0,0,0|0,0,2]=2 3 B11R0.40 CCCCCCCCC(=O)C=O MCULE-2896760493 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.40 CCCCCCCCC(=O)CC MCULE-9958837588 [0,0,0,0,0,0|1,0,2]=3 5 B11R0.40 CCCCCCCCC(=O)NN MCULE-6560373796 [0,0,0,0,0,0|2,0,2]=4 6 B11R0.40 CCCCCCCCC(=O)NO MCULE-7098688577 [0,0,0,0,0,0|2,0,2]=4 7 B11R0.40 CCCCCCCCC(=O)OC MCULE-4760106079 [0,0,0,0,0,0|0,0,2]=2 8 B11R0.40 CCCCCCCNC(=O)CBr MCULE-3010395952 [0,0,0,0,0,0|3,0,1]=4 9 B11R0.40 CCCCCCCOC(=O)CC MCULE-6239287032 [0,0,0,0,0,0|2,0,1]=3 10 B11R0.40 CCCCCCCOC(=O)CCl MCULE-6089837080 [0,0,0,0,0,0|3,0,1]=4 11 B11R0.40 CCCCCCCOC(=O)CS MCULE-3304894936 [0,0,0,0,0,0|3,0,1]=4 12 B11R0.40 CCCCOCCOC(=O)NC MCULE-3584012789 [0,0,0,0,0,0|3,0,1]=4 13 B11R0.40 COC(=O)CCCCCCC#N MCULE-5476473532 [0,0,0,0,0,0|1,0,3]=4 14 B11R0.40 COC(=O)CCCCCCC=O MCULE-8693929860 [0,0,0,0,0,0|1,0,3]=4 15 B11R0.40 COC(=O)CCCCCCCBr MCULE-5537473467 [0,0,0,0,0,0|1,0,2]=3 16 B11R0.40 COC(=O)CCCCCCCCl MCULE-1981178961 [0,0,0,0,0,0|1,0,2]=3 17 B11R0.40 COC(=O)CCCCCCCN MCULE-3361449332 [0,0,0,0,0,0|1,0,2]=3 18 B11R0.40 COC(=O)CCCCCCCN MCULE-5266446188 [0,0,0,0,0,0|1,0,2]=3 19 B11R0.40 COC(=O)CCCCCCCO MCULE-4577508073 [0,0,0,0,0,0|1,0,2]=3 20 B11R0.40 COCCCNCCC(=O)OC MCULE-4020268298 [0,0,0,0,0,0|2,0,2]=4 21 B10R0.4 C(=CC(=O)O)CCCCCC MCULE-5063564829 [1,0,0,0,0,0|0,0,2]=3 22 B10R0.4 C=C(C)CCCCCCCC MCULE-2486247417 [1,0,0,0,0,0|1,0,2]=4 23 B10R0.4 CC(=O)CCCCCCCO MCULE-6975960500 [1,0,0,0,0,0|1,0,2]=4 24 B10R0.4 CC(=O)NCCCCCCN MCULE-6988947031 [1,0,0,0,0,0|2,0,1]=4 25 B10R0.4 CC(=O)OCCCCCCBr MCULE-9658847674 [1,0,0,0,0,0|2,0,1]=4 26 B10R0.4 CC(=O)OCCCCCCCl MCULE-2777138332 [1,0,0,0,0,0|2,0,1]=4 27 B10R0.4 CC(=O)SCCCCCCN MCULE-6118060031 [1,0,0,0,0,0|2,0,1]=4 28 B10R0.4 CC(=O)SCCCCCCN MCULE-7116355086 [1,0,0,0,0,0|2,0,1]=4 29 B10R0.4 CCCCC/C=C/CC(=O)O MCULE-1378284129 [1,0,0,0,0,0|0,0,3]=4 30 B10R0.4 CCCCCC/C=C/C(=O)O MCULE-8167234483 [1,0,0,0,0,0|0,0,2]=3 31 B10R0.4 CCCCCC=CCC(=O)O MCULE-5507503933 [1,0,0,0,0,0|0,0,3]=4 32 B10R0.4 CCCCCCC=CC(=O)C MCULE-7025674174 [1,0,0,0,0,0|0,0,2]=3 33 B10R0.4 CCCCCCCCC(=O)C MCULE-6168357226 [1,0,0,0,0,0|0,0,2]=3 34 B10R0.4 CCCCCCCCC(=O)Cl MCULE-7596715750 [1,0,0,0,0,0|1,0,2]=4 35 B10R0.4 CCCCCCCCC(=O)N MCULE-6415702858 [1,0,0,0,0,0|1,0,2]=4 36 B10R0.4 CCCCCCCCC(=O)O MCULE-4736597375 [1,0,0,0,0,0|0,0,2]=3 37 B10R0.4 CCCCCCCCC(=O)[O-] MCULE-1077439841 [1,0,0,0,0,0|0,0,3]=4 38 B10R0.4 CCCCCCCNC(=O)C MCULE-3916780915 [1,0,0,0,0,0|1,0,1]=3 39 B10R0.4 CCCCCCCOC(=O)C MCULE-7061891812 [1,0,0,0,0,0|1,0,1]=3 40 B10R0.4 CCCCCCCOC(=O)Cl MCULE-9018506867 [1,0,0,0,0,0|2,0,1]=4 41 B10R0.4 CCCCCCNCC(=O)O MCULE-3361498309 [1,0,0,0,0,0|1,0,1]=3 42 B10R0.4 CCCCCCOCC(=O)O MCULE-6951993364 [1,0,0,0,0,0|1,0,1]=3 43 B10R0.4 CCCCCCSCC(=O)O MCULE-5086023021 [1,0,0,0,0,0|1,0,1]=3 44 B10R0.4 CCCCOCCOC(=O)C MCULE-4906127008 [1,0,0,0,0,0|2,0,1]=4 45 B10R0.4 CCCCSCCCC(=O)O MCULE-5928316679 [1,0,0,0,0,0|1,0,2]=4 46 B10R0.4 CCOCCCCCC(=O)O MCULE-9514442276 [1,0,0,0,0,0|1,0,2]=4 47 B10R0.4 CSCCCCCCC(=O)O MCULE-9976800222 [1,0,0,0,0,0|1,0,2]=4 48 B10R0.4 NCCCCCCCC(=O)O MCULE-2737882810 [1,0,0,0,0,0|1,0,2]=4 49 B10R0.4 NCCCCCCCC(=O)O MCULE-4269382976 [1,0,0,0,0,0|1,0,2]=4 50 B10R0.4 NCCCCCCNC(=O)O MCULE-3865214371 [1,0,0,0,0,0|2,0,1]=4 51 B10R0.4 O=C(O)CCCCCCCBr MCULE-6425557416 [1,0,0,0,0,0|1,0,2]=4 52 B10R0.4 O=C(O)CCCCCCCO MCULE-1839591073 [1,0,0,0,0,0|1,0,2]=4 53 B10R0.4 O=C(O)CCCCCCCS MCULE-6555950664 [1,0,0,0,0,0|1,0,2]=4 54 B10R0.71 CCC#CCCCCCCC MCULE-4172735383 [1,0,0,0,0,0|1,0,2]=4 55 B10R0.71 CCCCCCC#CCCO MCULE-5377358049 [1,0,0,0,0,0|2,0,1]=4 56 B10R0.71 CCCCCCCCCOC MCULE-3906263885 [1,0,0,0,0,0|0,0,3]=4 57 B10R0.74 C#CCCCCCC(=O)OC MCULE-3816855542 [1,0,0,0,0,0|0,0,3]=4 58 B10R0.74 C=CC(=O)OCCCCCC MCULE-5221212930 [1,0,0,0,0,0|2,0,1]=4 59 B10R0.74 CC/C=C\CCOC(=O)OC MCULE-7384996356 [1,0,0,0,0,0|1,0,2]=4 60 B10R0.74 CCC=CCCOC(=O)OC MCULE-9789450516 [1,0,0,0,0,0|1,0,2]=4 61 B10R0.74 CCCCC/C=C/C(=O)OC MCULE-1812424019 [1,0,0,0,0,0|0,0,2]=3 62 B10R0.74 CCCCCC#CC(=O)OC MCULE-8436103758 [1,0,0,0,0,0|0,0,0]=1 63 B10R0.74 CCCCCC=CC(=O)OC MCULE-3787684558 [1,0,0,0,0,0|0,0,2]=3 64 B10R0.74 CCCCCCCC(=O)CC MCULE-3418685291 [1,0,0,0,0,0|1,0,1]=3 65 B10R0.74 CCCCCCCC(=O)NN MCULE-6629350924 [1,0,0,0,0,0|2,0,1]=4 66 B10R0.74 CCCCCCCC(=O)NO MCULE-2604662374 [1,0,0,0,0,0|2,0,1]=4 67 B10R0.74 CCCCCCCC(=O)N[O-] MCULE-1745709791 [1,0,0,0,0,0|2,0,1]=4 68 B10R0.74 CCCCCCCC(=O)N[O-] MCULE-4610313780 [1,0,0,0,0,0|2,0,1]=4 69 B10R0.74 CCCCCCCC(=O)OC MCULE-9368782203 [1,0,0,0,0,0|0,0,1]=2 70 B10R0.74 CCCCCCNC(=O)CCl MCULE-9418401258 [1,0,0,0,0,0|3,0,0]=4 71 B10R0.74 CCCCCCOC(=O)CC MCULE-7750085667 [1,0,0,0,0,0|2,0,0]=3 72 B10R0.74 CCCCCCOC(=O)CCl MCULE-7320709801 [1,0,0,0,0,0|3,0,0]=4 73 B10R0.74 CCCCCCOC(=O)CN MCULE-5357348178 [1,0,0,0,0,0|3,0,0]=4 74 B10R0.74 CCCCCCOC(=O)CS MCULE-4845823799 [1,0,0,0,0,0|3,0,0]=4 75 B10R0.74 CCCCCCOC(=O)C[NH3+] MCULE-4114261473 [1,0,0,0,0,0|3,0,0]=4 76 B10R0.74 CCOCCSCC(=O)OC MCULE-6906722616 [1,0,0,0,0,0|2,0,1]=4 77 B10R0.74 COC(=O)CCCCCC=O MCULE-1071696685 [1,0,0,0,0,0|1,0,2]=4 78 B10R0.74 COC(=O)CCCCCCBr MCULE-5801566678 [1,0,0,0,0,0|1,0,1]=3 79 B10R0.74 COC(=O)CCCCCCI MCULE-5629338002 [1,0,0,0,0,0|1,0,1]=3 80 B10R0.74 COC(=O)CCCCCCN MCULE-3174162228 [1,0,0,0,0,0|1,0,1]=3 81 B10R0.74 COC(=O)CCCCCCN MCULE-7552954472 [1,0,0,0,0,0|1,0,1]=3 82 B10R0.74 COC(=O)CCCCCCO MCULE-1234987175 [1,0,0,0,0,0|1,0,1]=3 83 B10R0.74 COC(=O)CCNCCCO MCULE-4138256366 [1,0,0,0,0,0|2,0,1]=4 84 B10R0.74 COC(=O)CCOCCCO MCULE-5017264772 [1,0,0,0,0,0|2,0,1]=4 85 B10R0.74 COCCNCCC(=O)OC MCULE-2355570615 [1,0,0,0,0,0|2,0,1]=4 86 B10R0.74 COCCOCCC(=O)OC MCULE-5131212223 [1,0,0,0,0,0|2,0,1]=4 87 B12R0.1 CCCCCC=CCC(=O)OCC MCULE-2452505052 [0,1,0,0,0,0|0,0,3]=4 88 B12R0.1 CCCCCCC#CC(=O)OCC MCULE-9938881189 [0,1,0,0,0,0|0,0,0]=1 89 B12R0.1 CCCCCCC=CC(=O)OCC MCULE-4260025223 [0,1,0,0,0,0|0,0,2]=3 90 B12R0.1 CCCCCCCCC(=O)NCO MCULE-9330858839 [0,1,0,0,0,0|1,0,2]=4 91 B12R0.1 CCCCCCCCC(=O)OCC MCULE-5309868306 [0,1,0,0,0,0|0,0,2]=3 92 B12R0.1 CCCCCCCCC(=O)OCCl MCULE-7482672748 [0,1,0,0,0,0|0,0,2]=3 93 B12R0.1 CCCCCCCOC(=O)CCC MCULE-5390225657 [0,1,0,0,0,0|2,0,1]=4 94 B12R0.1 CCCCCNCCC(=O)OCC MCULE-6006388312 [0,1,0,0,0,0|1,0,2]=4 95 B12R0.1 CCOC(=O)CCCCCCCBr MCULE-8678920768 [0,1,0,0,0,0|1,0,2]=4 96 B12R0.1 CCOC(=O)CCCCCCCCl MCULE-8377860069 [0,1,0,0,0,0|1,0,2]=4 97 B12R0.1 CCOC(=O)CCCCCCCI MCULE-5677306490 [0,1,0,0,0,0|1,0,2]=4 98 B12R0.1 CCOC(=O)CCCCCCCN MCULE-2162819446 [0,1,0,0,0,0|1,0,2]=4 99 B12R0.1 CCOC(=O)CCCCCCCN MCULE-4046698936 [0,1,0,0,0,0|1,0,2]=4 100 B12R0.1 CCOC(=O)CCCCCCCO MCULE-3311157136 [0,1,0,0,0,0|1,0,2]=4 101 B12R0.49 CCCCCCC=C(C)C(=O)OC MCULE-9746455818 [0,1,0,0,0,0|0,0,2]=3 102 B12R0.49 CCCCCNCC(C)C(=O)OC MCULE-7883564580 [0,1,0,0,0,0|1,0,2]=4 103 B12R0.57 CCCCCCC#CC(OC)OC MCULE-8529098671 [0,1,0,0,0,0|0,0,2]=3 104 B12R0.113 CCCCCCC(O)CC(=O)OC MCULE-8995113646 [0,1,0,0,0,0|0,0,2]=3 105 B12R0.113 CCCCCNC(C)CC(=O)OC MCULE-2558037544 [0,1,0,0,0,0|1,0,2]=4 106 B12R0.142 CCCCCC(O)CCC(=O)NC MCULE-6293429988 [0,1,0,0,0,0|1,0,2]=4 107 B12R0.142 CCCCCN(C)CCC(=O)OC MCULE-2291452390 [0,1,0,0,0,0|1,0,2]=4 108 B12R0.184 COC(=O)CCCCCCC(C)C MCULE-3897074156 [0,1,0,0,0,0|0,0,2]=3 109 B12R0.248 C=CCCCCCCCC(=O)OC MCULE-1843303649 [0,1,0,0,0,0|0,0,3]=4 110 B12R0.248 CCCCCCCCCC(=O)CC MCULE-8070056231 [0,1,0,0,0,0|1,0,2]=4 111 B12R0.248 CCCCCCCCCC(=O)NC MCULE-5903490737 [0,1,0,0,0,0|1,0,2]=4 112 B12R0.248 CCCCCCCCCC(=O)OC MCULE-3080392178 [0,1,0,0,0,0|0,0,2]=3 113 B12R0.248 CCCCCCCCOC(=O)CC MCULE-3871560069 [0,1,0,0,0,0|1,0,2]=4 114 B12R0.248 CCCCCCCSCC(=O)OC MCULE-8419218207 [0,1,0,0,0,0|0,0,2]=3 115 B12R0.248 CNCCCCCCCC(=O)OC MCULE-2073535841 [0,1,0,0,0,0|0,0,2]=3 116 B12R0.248 COC(=O)CCCCCCCC=O MCULE-8962678443 [0,1,0,0,0,0|0,0,3]=4 117 B12R0.248 COC(=O)CCCCCCCCBr MCULE-8360143365 [0,1,0,0,0,0|0,0,2]=3 118 B12R0.248 COC(=O)CCCCCCCCO MCULE-5867988584 [0,1,0,0,0,0|0,0,2]=3 119 B12R1.1 CCCCCC1CCC(=O)CC1 MCULE-1865638063 [0,0,0,1,0,0|1,0,2]=4 120 B12R1.7 CCCCCCC1CCC(=O)O1 MCULE-8274362783 [0,0,0,1,0,0|2,0,1]=4 121 B12R1.27 CNC(=O)CCC1CCCCC1 MCULE-4673526571 [0,0,0,1,0,0|1,0,2]=4 122 B12R1.27 COC(=O)C#CC1=CCCCC1 MCULE-4944660809 [0,0,0,1,0,0|0,0,2]=3 123 B12R1.27 COC(=O)CCC1CCCCC1 MCULE-4982130149 [0,0,0,1,0,0|0,0,2]=3 124 B12R1.27 COC(=O)CCC1CCCCN1 MCULE-5430155727 [0,0,0,1,0,0|1,0,2]=4 125 B12R1.27 COC(=O)CCC1CCCCN1 MCULE-8425873185 [0,0,0,1,0,0|1,0,2]=4 126 B12R1.27 COC(=O)CCC1CCCNC1 MCULE-3207892462 [0,0,0,1,0,0|1,0,2]=4 127 B12R1.27 COC(=O)CCC1CCCNC1 MCULE-4998474197 [0,0,0,1,0,0|1,0,2]=4 128 B12R1.27 COC(=O)CCC1CCNCC1 MCULE-4070291371 [0,0,0,1,0,0|1,0,2]=4 129 B12R1.27 COC(=O)CCC1CCNCC1 MCULE-9899833979 [0,0,0,1,0,0|1,0,2]=4 130 B12R1.27 COC(=O)CCN1CCCCC1 MCULE-8363403616 [0,0,0,1,0,0|1,0,2]=4 131 B12R1.27 COC(=O)CCN1CCCCC1 MCULE-9158799668 [0,0,0,1,0,0|1,0,2]=4 132 B12R1.27 COC(=O)CNC1CCCCC1 MCULE-3628546494 [0,0,0,1,0,0|1,0,1]=3 133 B12R1.27 COC(=O)CNC1CCCCC1 MCULE-8461156941 [0,0,0,1,0,0|1,0,1]=3 134 B12R1.27 COC(=O)CNC1CCOCC1 MCULE-2414362668 [0,0,0,1,0,0|2,0,1]=4 135 B12R1.27 COC(=O)CNC1CCOCC1 MCULE-9240609938 [0,0,0,1,0,0|2,0,1]=4 136 B12R1.27 COC(=O)COC1CCCCC1 MCULE-2770584925 [0,0,0,1,0,0|1,0,1]=3 137 B12R1.27 COC(=O)COC1CCCCO1 MCULE-9132561989 [0,0,0,1,0,0|2,0,1]=4 138 B12R1.27 COC(=O)COC1CCNCC1 MCULE-1515730437 [0,0,0,1,0,0|2,0,1]=4 139 B12R1.27 COC(=O)COC1CCNCC1 MCULE-4644132320 [0,0,0,1,0,0|2,0,1]=4 140 B12R1.27 COC(=O)CSC1CCCCC1 MCULE-3029014522 [0,0,0,1,0,0|1,0,1]=3 141 B12R1.77 COC(=O)C1CCCCC1CCl MCULE-1382388531 [0,0,0,1,0,0|1,0,2]=4 142 B12R1.77 COC(=O)C1CCCCC1CN MCULE-6303964876 [0,0,0,1,0,0|1,0,2]=4 143 B12R1.77 COC(=O)C1CCCCC1CN MCULE-9790305648 [0,0,0,1,0,0|1,0,2]=4 144 B12R1.77 COC(=O)C1CCCCC1CO MCULE-9026826219 [0,0,0,1,0,0|1,0,2]=4 145 B12R1.77 COC(=O)[C@@H]1CCCC[C@H]1CO MCULE-9762653277 [0,0,0,1,0,0|1,0,2]=4 146 B12R1.77 COC(=O)[C@H]1CCCC[C@@H]1CO MCULE-9302510534 [0,0,0,1,0,0|1,0,2]=4 147 B12R1.365 COC(=O)C1CCCCCC1N MCULE-2985536871 [0,0,0,1,0,0|1,0,2]=4 148 B12R1.365 COC(=O)C1CCCCCC1N MCULE-7391362167 [0,0,0,1,0,0|1,0,2]=4 149 B12R1.371 COC(=O)CC1CCCNC1C MCULE-5727809126 [0,0,0,1,0,0|1,0,2]=4 150 B12R1.371 COC(=O)CC1CNCCC1C MCULE-4797744674 [0,0,0,1,0,0|1,0,2]=4 151 B12R1.371 COC(=O)CC1CNCCC1C MCULE-6244671024 [0,0,0,1,0,0|1,0,2]=4 152 B12R1.371 COC(=O)N[C@@H]1CNCC[C@@H]1C MCULE-3868741323 [0,0,0,1,0,0|2,0,1]=4 153 B12R1.371 COC(=O)N[C@@H]1CNCC[C@@H]1C MCULE-4196602758 [0,0,0,1,0,0|2,0,1]=4 154 B12R1.477 COC(=O)CCNC1CCCC1 MCULE-8194716372 [0,0,0,1,0,0|1,0,2]=4 155 B12R1.1659 COC(=O)C1CCCCCCC1 MCULE-8407585180 [0,0,0,1,0,0|0,0,2]=3 156 B12R1.1748 COC(=O)C=C1CCCCCC1 MCULE-2954267118 [0,0,0,1,0,0|0,0,2]=3 157 B12R1.1748 COC(=O)C=C1CCCCCN1 MCULE-7640918520 [0,0,0,1,0,0|1,0,2]=4 158 B12R1.1748 COC(=O)CC1CCCCCC1 MCULE-5471448909 [0,0,0,1,0,0|0,0,2]=3 159 B12R1.1748 COC(=O)CC1CCCNCC1 MCULE-8246652599 [0,0,0,1,0,0|1,0,2]=4 160 B12R1.1748 COC(=O)CC1CCCNCC1 MCULE-8769597228 [0,0,0,1,0,0|1,0,2]=4 161 B12R1.1748 COC(=O)CN1CCCNCC1 MCULE-2302704687 [0,0,0,1,0,0|2,0,1]=4 162 B12R1.1748 COC(=O)CN1CCCNCC1 MCULE-2502781833 [0,0,0,1,0,0|2,0,1]=4 163 B9R0.2 C=C(C)CCCCCCC MCULE-6074571960 [2,0,0,0,0,0|1,0,1]=4 164 B9R0.2 CC(=O)CCCCCCN MCULE-5842243037 [2,0,0,0,0,0|1,0,1]=4 165 B9R0.2 CC(=O)CCCCCCN MCULE-6017408205 [2,0,0,0,0,0|1,0,1]=4 166 B9R0.2 CC(=O)NCCCCCCl MCULE-9253955715 [2,0,0,0,0,0|2,0,0]=4 167 B9R0.2 CC(=O)NCCCCCN MCULE-6340089295 [2,0,0,0,0,0|2,0,0]=4 168 B9R0.2 CC(=O)NCCCCCN MCULE-9533682248 [2,0,0,0,0,0|2,0,0]=4 169 B9R0.2 CC(=O)OCCCCCBr MCULE-2710815321 [2,0,0,0,0,0|2,0,0]=4 170 B9R0.2 CC(=O)OCCCCCCl MCULE-4259346820 [2,0,0,0,0,0|2,0,0]=4 171 B9R0.2 CC(=O)SCCCCCBr MCULE-3706830993 [2,0,0,0,0,0|2,0,0]=4 172 B9R0.2 CCCCC#CCC(=O)O MCULE-2685341100 [2,0,0,0,0,0|0,0,2]=4 173 B9R0.2 CCCCC/C=C/C(=O)C MCULE-4810438787 [2,0,0,0,0,0|0,0,2]=4 174 B9R0.2 CCCCC/C=C/C(=O)O MCULE-5661205729 [2,0,0,0,0,0|0,0,2]=4 175 B9R0.2 CCCCCC#CC(=O)O MCULE-1860076106 [2,0,0,0,0,0|0,0,0]=2 176 B9R0.2 CCCCCC=CC(=O)C MCULE-2447853309 [2,0,0,0,0,0|0,0,2]=4 177 B9R0.2 CCCCCC=CC(=O)O MCULE-6969617806 [2,0,0,0,0,0|0,0,2]=4 178 B9R0.2 CCCCCCCC(=O)C MCULE-9635928766 [2,0,0,0,0,0|0,0,1]=3 179 B9R0.2 CCCCCCCC(=O)Cl MCULE-9979489292 [2,0,0,0,0,0|1,0,1]=4 180 B9R0.2 CCCCCCCC(=O)N MCULE-8774193381 [2,0,0,0,0,0|1,0,1]=4 181 B9R0.2 CCCCCCCC(=O)O MCULE-5193957469 [2,0,0,0,0,0|0,0,1]=3 182 B9R0.2 CCCCCCCC(=O)[O-] MCULE-3608650495 [2,0,0,0,0,0|0,0,2]=4 183 B9R0.2 CCCCCCCC(=O)[O-] MCULE-8227046407 [2,0,0,0,0,0|0,0,2]=4 184 B9R0.2 CCCCCCNC(=O)N MCULE-4236638652 [2,0,0,0,0,0|2,0,0]=4 185 B9R0.2 CCCCCCOC(=O)C MCULE-7353613022 [2,0,0,0,0,0|1,0,0]=3 186 B9R0.2 CCCCCCOC(=O)Cl MCULE-3135055168 [2,0,0,0,0,0|2,0,0]=4 187 B9R0.2 CCCCCCOC(=O)N MCULE-3909923308 [2,0,0,0,0,0|2,0,0]=4 188 B9R0.2 CCCCCOCC(=O)O MCULE-8190672624 [2,0,0,0,0,0|1,0,1]=4 189 B9R0.2 CCCCOCCC(=O)O MCULE-3735085695 [2,0,0,0,0,0|1,0,1]=4 190 B9R0.2 CCCCSCCC(=O)O MCULE-7414288717 [2,0,0,0,0,0|1,0,1]=4 191 B9R0.2 CCCOCCCC(=O)O MCULE-8829980105 [2,0,0,0,0,0|1,0,1]=4 192 B9R0.2 CCCSCCCC(=O)O MCULE-9850452520 [2,0,0,0,0,0|1,0,1]=4 193 B9R0.2 CCNCCCCC(=O)O MCULE-1386195341 [2,0,0,0,0,0|1,0,1]=4 194 B9R0.2 CCNCCCCC(=O)O MCULE-1922836400 [2,0,0,0,0,0|1,0,1]=4 195 B9R0.2 CCOCCCCC(=O)O MCULE-8522289104 [2,0,0,0,0,0|1,0,1]=4 196 B9R0.2 CNCCCCCC(=O)O MCULE-8016435275 [2,0,0,0,0,0|1,0,1]=4 197 B9R0.2 COCCCCCC(=O)O MCULE-1769987918 [2,0,0,0,0,0|1,0,1]=4 198 B9R0.2 COCCCCOC(=O)C MCULE-4352807618 [2,0,0,0,0,0|2,0,0]=4 199 B9R0.2 CSCCCCCC(=O)O MCULE-9069370044 [2,0,0,0,0,0|1,0,1]=4 200 B9R0.2 C[NH2+]CCCCCC(=O)O MCULE-8971339830 [2,0,0,0,0,0|1,0,1]=4 201 B9R0.2 NCCCCCCC(=O)O MCULE-6089872609 [2,0,0,0,0,0|1,0,1]=4 202 B9R0.2 NCCCCCCC(=O)O MCULE-7769232328 [2,0,0,0,0,0|1,0,1]=4 203 B9R0.2 O=C(O)CCCCCCBr MCULE-3980379488 [2,0,0,0,0,0|1,0,1]=4 204 B9R0.2 O=C(O)CCCCCCF MCULE-7539264820 [2,0,0,0,0,0|1,0,1]=4 205 B9R0.2 O=C(O)CCCCCCO MCULE-7270362706 [2,0,0,0,0,0|1,0,1]=4 206 B9R0.2 O=C(O)CCCCCCS MCULE-5659986053 [2,0,0,0,0,0|1,0,1]=4 207 B9R0.45 CC#CCCCCCCC MCULE-9888604196 [2,0,0,0,0,0|0,0,2]=4 208 B9R0.45 CC=CCCCCCCC MCULE-6461098537 [2,0,0,0,0,0|0,0,2]=4 209 B9R0.45 CCC#CCCCCCC MCULE-2394718279 [2,0,0,0,0,0|0,0,1]=3 210 B9R0.45 CCCC#CCCCCC MCULE-7200051907 [2,0,0,0,0,0|1,0,1]=4 211 B9R0.45 CCCCCC/C=C/C=O MCULE-5281758989 [2,0,0,0,0,0|0,0,2]=4 212 B9R0.45 CCCCCCC#CCO MCULE-7144291083 [2,0,0,0,0,0|0,0,1]=3 213 B9R0.45 CCCCCCC=CC=O MCULE-8114348514 [2,0,0,0,0,0|0,0,2]=4 214 B9R0.45 CCCCCCCCC=O MCULE-9888879952 [2,0,0,0,0,0|0,0,2]=4 215 B9R0.45 CCCCCCCCOC MCULE-4646070035 [2,0,0,0,0,0|0,0,2]=4 216 B9R0.45 CCCCCCCNC=O MCULE-7638122818 [2,0,0,0,0,0|1,0,1]=4 217 B9R0.45 CCCCCCCOC=O MCULE-6396391540 [2,0,0,0,0,0|1,0,1]=4 218 B9R0.46 C#CCCCCC(=O)OC MCULE-4261649689 [2,0,0,0,0,0|0,0,2]=4 219 B9R0.46 C=CC(=O)CCCCCC MCULE-4486396694 [2,0,0,0,0,0|1,0,1]=4 220 B9R0.46 C=CCCCCC(=O)OC MCULE-7317556908 [2,0,0,0,0,0|0,0,2]=4 221 B9R0.46 CCCCC#CC(=O)OC MCULE-6610188635 [2,0,0,0,0,0|0,0,0]=2 222 B9R0.46 CCCCC=CC(=O)OC MCULE-3507079471 [2,0,0,0,0,0|0,0,2]=4 223 B9R0.46 CCCCCCC(=O)CBr MCULE-5041636942 [2,0,0,0,0,0|2,0,0]=4 224 B9R0.46 CCCCCCC(=O)CC MCULE-6606139631 [2,0,0,0,0,0|1,0,0]=3 225 B9R0.46 CCCCCCC(=O)NN MCULE-6491418749 [2,0,0,0,0,0|2,0,0]=4 226 B9R0.46 CCCCCCC(=O)NO MCULE-7308576516 [2,0,0,0,0,0|2,0,0]=4 227 B9R0.46 CCCCCCC(=O)OC MCULE-7883111323 [2,0,0,0,0,0|0,0,0]=2 228 B9R0.46 CCCCCOC(=O)CC MCULE-6912037911 [2,0,0,0,0,0|2,0,0]=4 229 B9R0.46 CCCCSCC(=O)OC MCULE-1208944064 [2,0,0,0,0,0|1,0,0]=3 230 B9R0.46 CCCNCCC(=O)NC MCULE-7368054577 [2,0,0,0,0,0|2,0,0]=4 231 B9R0.46 CCCNCCC(=O)OC MCULE-4786941347 [2,0,0,0,0,0|1,0,0]=3 232 B9R0.46 CCNCCCC(=O)OC MCULE-1330024068 [2,0,0,0,0,0|1,0,0]=3 233 B9R0.46 CCNCCCC(=O)OC MCULE-1608160566 [2,0,0,0,0,0|1,0,0]=3 234 B9R0.46 CNCCCCC(=O)OC MCULE-3479794664 [2,0,0,0,0,0|1,0,0]=3 235 B9R0.46 CNCCCCC(=O)OC MCULE-3875784281 [2,0,0,0,0,0|1,0,0]=3 236 B9R0.46 COC(=O)CCCCC=O MCULE-6810055406 [2,0,0,0,0,0|1,0,1]=4 237 B9R0.46 COC(=O)CCCCCBr MCULE-5661009403 [2,0,0,0,0,0|1,0,0]=3 238 B9R0.46 COC(=O)CCCCCCl MCULE-2967199349 [2,0,0,0,0,0|1,0,0]=3 239 B9R0.46 COC(=O)CCCCCI MCULE-6638103547 [2,0,0,0,0,0|1,0,0]=3 240 B9R0.46 COC(=O)CCCCCN MCULE-9013585398 [2,0,0,0,0,0|1,0,0]=3 241 B9R0.46 COC(=O)CCCCCN MCULE-9184696999 [2,0,0,0,0,0|1,0,0]=3 242 B9R0.46 COC(=O)CCCCCO MCULE-6405405706 [2,0,0,0,0,0|1,0,0]=3 243 B9R0.46 COC(=O)CCCCCS MCULE-3886120866 [2,0,0,0,0,0|1,0,0]=3 244 B9R0.46 COC(=O)CCNCCO MCULE-8673898296 [2,0,0,0,0,0|2,0,0]=4 245 B9R0.46 COC(=O)CCNCCO MCULE-9372452891 [2,0,0,0,0,0|2,0,0]=4 246 B9R0.46 COC(=O)CCOCCO MCULE-2103874995 [2,0,0,0,0,0|2,0,0]=4 247 B9R0.46 COC(=O)CCSCCBr MCULE-9094494560 [2,0,0,0,0,0|2,0,0]=4 248 B9R0.46 COC(=O)COCCCBr MCULE-4809392864 [2,0,0,0,0,0|2,0,0]=4 249 B9R0.46 COC(=O)CSCCCCl MCULE-4673663390 [2,0,0,0,0,0|2,0,0]=4 250 B9R0.46 COCCCCC(=O)OC MCULE-9886328481 [2,0,0,0,0,0|1,0,0]=3 251 B9R0.46 COCCNCC(=O)OC MCULE-2601282680 [2,0,0,0,0,0|2,0,0]=4 252 B9R0.46 COCCOCC(=O)OC MCULE-4614657424 [2,0,0,0,0,0|2,0,0]=4 253 B9R0.46 COCCSCC(=O)OC MCULE-2376910054 [2,0,0,0,0,0|2,0,0]=4 254 B11R0.2 CCCCCCC(=O)CC(=O)C MCULE-1947947048 [1,1,0,0,0,0|0,0,2]=4 255 B11R0.2 CCCCCCC(=O)CC(=O)O MCULE-9513160139 [1,1,0,0,0,0|0,0,2]=4 256 B11R0.2 CCCCCCC(C)CC(=O)O MCULE-4777686649 [1,1,0,0,0,0|0,0,2]=4 257 B11R0.2 CCCCCCC(C)OC(=O)C MCULE-6230359539 [1,1,0,0,0,0|1,0,1]=4 258 B11R0.2 CCCCCCC(N)CC(=O)O MCULE-6987665804 [1,1,0,0,0,0|0,0,2]=4 259 B11R0.2 CCCCCCC(N)CC(=O)O MCULE-8299240038 [1,1,0,0,0,0|0,0,2]=4 260 B11R0.2 CCCCCCC(O)CC(=O)O MCULE-8278468713 [1,1,0,0,0,0|0,0,2]=4 261 B11R0.2 CCCCCCN(C)CC(=O)O MCULE-5638671142 [1,1,0,0,0,0|1,0,1]=4 262 B11R0.2 CCCCCCN(C)CC(=O)O MCULE-6664823722 [1,1,0,0,0,0|1,0,1]=4 263 B11R0.30 CC(C)CCCCCCC(=O)O MCULE-7144406547 [1,1,0,0,0,0|0,0,2]=4 264 B11R0.30 CC(O)CCCCCCC(=O)O MCULE-7012579621 [1,1,0,0,0,0|0,0,2]=4 265 B11R0.42 CCCCCCCC(C)C(=O)C MCULE-1764436007 [1,1,0,0,0,0|0,0,2]=4 266 B11R0.42 CCCCCCCC(C)C(=O)O MCULE-1400601550 [1,1,0,0,0,0|0,0,2]=4 267 B11R0.42 CCCCCCCC(N)C(=O)O MCULE-4518631723 [1,1,0,0,0,0|0,0,2]=4 268 B11R0.42 CCCCCCC[C@@H](N)C(=O)O MCULE-7367412741 [1,1,0,0,0,0|0,0,2]=4 269 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4025079053 [1,1,0,0,0,0|0,0,2]=4 270 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4061410149 [1,1,0,0,0,0|0,0,2]=4 271 B11R0.42 CCCCCCOC(C)C(=O)O MCULE-5771954047 [1,1,0,0,0,0|1,0,1]=4 272 B11R0.46 CCCCCC(C)CCC(=O)O MCULE-3703948906 [1,1,0,0,0,0|0,0,2]=4 273 B11R0.46 CCCCCC(O)/C=C/C(=O)O MCULE-9091234698 [1,1,0,0,0,0|0,0,2]=4 274 B11R0.46 CCCCCC(O)C=CC(=O)O MCULE-5393476184 [1,1,0,0,0,0|0,0,2]=4 275 B11R0.111 CCC(C)CCCCCC(=O)O MCULE-5195758876 [1,1,0,0,0,0|0,0,2]=4 276 B11R0.147 CCCCC(C)CCCC(=O)O MCULE-8642965123 [1,1,0,0,0,0|0,0,2]=4 277 B11R0.148 CC(=O)CCCCCCCCBr MCULE-8502798206 [1,1,0,0,0,0|0,0,2]=4 278 B11R0.148 CCCCCC/C=C/CC(=O)O MCULE-1834860815 [1,1,0,0,0,0|0,0,2]=4 279 B11R0.148 CCCCCCC/C=C/C(=O)O MCULE-3189731619 [1,1,0,0,0,0|0,0,2]=4 280 B11R0.148 CCCCCCC/C=C\C(=O)O MCULE-5508964733 [1,1,0,0,0,0|0,0,2]=4 281 B11R0.148 CCCCCCC=CCC(=O)O MCULE-5816262119 [1,1,0,0,0,0|0,0,2]=4 282 B11R0.148 CCCCCCCC=CC(=O)O MCULE-9648702049 [1,1,0,0,0,0|0,0,2]=4 283 B11R0.148 CCCCCCCCCC(=O)C MCULE-6858373499 [1,1,0,0,0,0|0,0,2]=4 284 B11R0.148 CCCCCCCCCC(=O)O MCULE-3914949169 [1,1,0,0,0,0|0,0,2]=4 285 B11R0.148 CCCCCCCCCC(=O)O MCULE-7204730113 [1,1,0,0,0,0|0,0,2]=4 286 B11R0.148 CCCCCCCCOC(=O)C MCULE-8590238161 [1,1,0,0,0,0|0,0,2]=4 287 B11R0.148 CCCCCCCNCC(=O)O MCULE-2155508761 [1,1,0,0,0,0|0,0,2]=4 288 B11R0.148 CCCCCCCNCC(=O)O MCULE-8805007132 [1,1,0,0,0,0|0,0,2]=4 289 B11R0.148 CCCCCCCSCC(=O)O MCULE-7218313490 [1,1,0,0,0,0|0,0,2]=4 290 B11R0.148 CCCCOCCOCC(=O)O MCULE-3118678736 [1,1,0,0,0,0|1,0,1]=4 291 B11R0.148 CCCCSCCCCC(=O)O MCULE-1665011362 [1,1,0,0,0,0|0,0,2]=4 292 B11R0.148 NCCCCCCCCC(=O)O MCULE-9064856591 [1,1,0,0,0,0|0,0,2]=4 293 B11R0.148 O=C(O)CCCCCCCCBr MCULE-2459167157 [1,1,0,0,0,0|0,0,2]=4 294 B11R0.148 O=C(O)CCCCCCCCCl MCULE-9010808862 [1,1,0,0,0,0|0,0,2]=4 295 B11R0.148 O=C(O)CCCCCCCCO MCULE-6121514710 [1,1,0,0,0,0|0,0,2]=4 296 B11R0.3 CCCCC#CCCCCCC MCULE-8000000275 [1,1,0,0,0,0|1,0,1]=4 297 B11R0.70 COC(=O)NCC(O)CCSC MCULE-5675788618 [1,1,0,0,0,0|2,0,0]=4 298 B11R0.142 CCCCCCC(Br)C(=O)OC MCULE-3994207813 [1,1,0,0,0,0|0,0,1]=3 299 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-1398170037 [1,1,0,0,0,0|0,0,1]=3 300 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-3295480977 [1,1,0,0,0,0|0,0,1]=3 301 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-5212970889 [1,1,0,0,0,0|0,0,1]=3 302 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-7851215638 [1,1,0,0,0,0|0,0,1]=3 303 B11R0.142 CCCCNCC(C)C(=O)OC MCULE-9643286363 [1,1,0,0,0,0|1,0,1]=4 304 B11R0.154 CCCCCC(=O)CC(=O)OC MCULE-9153189731 [1,1,0,0,0,0|0,0,2]=4 305 B11R0.154 CCCCCC(C)NC(=O)CC MCULE-5203796337 [1,1,0,0,0,0|2,0,0]=4 306 B11R0.154 CCCCCC(C)NC(=O)OC MCULE-7863422076 [1,1,0,0,0,0|1,0,0]=3 307 B11R0.154 CCCCCC(O)CC(=O)OC MCULE-9477041708 [1,1,0,0,0,0|0,0,1]=3 308 B11R0.154 CCCCC[C@H](O)CC(=O)OC MCULE-4127190955 [1,1,0,0,0,0|0,0,1]=3 309 B11R0.154 CCCCNC(C)CC(=O)OC MCULE-5927405723 [1,1,0,0,0,0|1,0,1]=4 310 B13R0.2 CCCCCCC/C=C/C(=O)OCC MCULE-9821388261 [0,2,0,0,0,0|0,0,2]=4 311 B13R0.2 CCCCCCCC=CC(=O)OCC MCULE-8496462023 [0,2,0,0,0,0|0,0,2]=4 312 B13R0.2 CCCCCCCCCC(=O)OCC MCULE-9201389917 [0,2,0,0,0,0|0,0,2]=4 313 B13R0.2 CCCCCCCCCC(=O)OCCl MCULE-4204116817 [0,2,0,0,0,0|0,0,2]=4 314 B13R0.2 CCCCCCCCCC(=O)OCI MCULE-3516770567 [0,2,0,0,0,0|0,0,2]=4 315 B13R0.2 CCCCCCNCCC(=O)OCC MCULE-8059203538 [0,2,0,0,0,0|0,0,2]=4 316 B13R0.2 CCOC(=O)CCCCCCCCBr MCULE-7199679649 [0,2,0,0,0,0|0,0,2]=4 317 B13R0.66 C=CCOC(=O)CCCCCCCC MCULE-4814095857 [0,2,0,0,0,0|0,0,2]=4 318 B13R0.193 CCCCCC(O)C=CC(=O)OCC MCULE-6682483213 [0,2,0,0,0,0|0,0,2]=4 319 B13R0.275 CCCCCCCC(C)C(=O)OCC MCULE-3939081286 [0,2,0,0,0,0|0,0,2]=4 320 B13R0.330 CCCCCCC(=O)CC(=O)OCC MCULE-7009669263 [0,2,0,0,0,0|0,0,2]=4 321 B13R0.330 CCCCCCC(O)CC(=O)OCC MCULE-1322338775 [0,2,0,0,0,0|0,0,2]=4 322 B13R0.335 CCCCCCCCC(=O)OC(C)C MCULE-6579125494 [0,2,0,0,0,0|0,0,2]=4 323 B13R0.340 CCCCCCCCC(O)C(=O)OC MCULE-6749847751 [0,2,0,0,0,0|0,0,2]=4 324 B13R0.340 CCCCCCCOC(C)C(=O)OC MCULE-7571050565 [0,2,0,0,0,0|0,0,2]=4 325 B13R0.340 CCCCCCNCC(C)C(=O)OC MCULE-5057262725 [0,2,0,0,0,0|0,0,2]=4 326 B13R0.274 CCCCCCCC(O)CC(=O)OC MCULE-2537921032 [0,2,0,0,0,0|0,0,2]=4 327 B13R0.274 CCCCCCC[C@@H](O)CC(=O)OC MCULE-4586199421 [0,2,0,0,0,0|0,0,2]=4 328 B13R0.274 CCCCCCC[C@@H](O)CC(=O)OC MCULE-7045432024 [0,2,0,0,0,0|0,0,2]=4 329 B13R0.274 CCCCCCNC(C)CC(=O)OC MCULE-2373355014 [0,2,0,0,0,0|0,0,2]=4 330 B13R0.1170 CCCCCCC(O)CCC(=O)OC MCULE-3812992050 [0,2,0,0,0,0|0,0,2]=4 331 B13R0.201 CCC(C)CCCCCCC(=O)OC MCULE-5985049144 [0,2,0,0,0,0|0,0,2]=4 332 B13R0.147 C#CCCCCCCCCC(=O)OC MCULE-3643245325 [0,2,0,0,0,0|0,0,2]=4 333 B13R0.147 C=CCCCCCCCCC(=O)OC MCULE-5551120975 [0,2,0,0,0,0|0,0,2]=4 334 B13R0.147 CCCCCCCCC#CC(=O)OC MCULE-6573014150 [0,2,0,0,0,0|0,0,0]=2 335 B13R0.147 CCCCCCCCCCC(=O)OC MCULE-4524637821 [0,2,0,0,0,0|0,0,2]=4 336 B13R0.147 CCCCCCCNCCC(=O)OC MCULE-4012206227 [0,2,0,0,0,0|0,0,2]=4 337 B13R0.147 COC(=O)CCCCCCCCC=O MCULE-9755822433 [0,2,0,0,0,0|0,0,2]=4 338 B13R0.147 COC(=O)CCCCCCCCCBr MCULE-4125973468 [0,2,0,0,0,0|0,0,2]=4 339 B13R0.147 COC(=O)CCCCCCCCCN MCULE-2996113147 [0,2,0,0,0,0|0,0,2]=4 340 B13R0.147 COC(=O)CCCCCCCCCN MCULE-5692626711 [0,2,0,0,0,0|0,0,2]=4 341 B13R0.147 COC(=O)CCCCCCCCCO MCULE-2254055588 [0,2,0,0,0,0|0,0,2]=4 342 B13R0.202 COC(=O)CCCCCCCC(C)C MCULE-3325371997 [0,2,0,0,0,0|0,0,2]=4 343 B11R1.24 CCCCC1CCCC(=O)O1 MCULE-5855223168 [1,0,0,1,0,0|0,0,2]=4 344 B11R1.27 CCCCCC1C=CC(=O)O1 MCULE-7215901584 [1,0,0,1,0,0|0,0,2]=4 345 B11R1.27 CCCCCC1CCC(=O)O1 MCULE-8658118167 [1,0,0,1,0,0|0,0,2]=4 346 B11R1.27 CCCCC[C@H]1CCC(=O)O1 MCULE-5773106371 [1,0,0,1,0,0|0,0,2]=4 347 B11R1.53 CCC1CCCCC1C(=O)O MCULE-7668550184 [1,0,0,1,0,0|0,0,2]=4 348 B11R1.86 CC(=O)CN1CCCCC1C MCULE-6918556290 [1,0,0,1,0,0|1,0,1]=4 349 B11R1.86 CC(=O)OC1CCCCC1C MCULE-6335382849 [1,0,0,1,0,0|1,0,1]=4 350 B11R1.86 CC1CCCCC1CC(=O)O MCULE-8512937446 [1,0,0,1,0,0|0,0,2]=4 351 B11R1.86 CC1CCCCN1CC(=O)O MCULE-6978091572 [1,0,0,1,0,0|1,0,1]=4 352 B11R1.86 CC1CCCCN1CC(=O)O MCULE-8958981548 [1,0,0,1,0,0|1,0,1]=4 353 B11R1.91 CC(=O)CCC1CCCCC1 MCULE-1125647515 [1,0,0,1,0,0|0,0,2]=4 354 B11R1.91 CC(=O)OCC1CCCCC1 MCULE-4442955915 [1,0,0,1,0,0|1,0,1]=4 355 B11R1.91 O=C(O)/C=C/C1CCCCC1 MCULE-3408838682 [1,0,0,1,0,0|0,0,2]=4 356 B11R1.91 O=C(O)C#CC1CCCCC1 MCULE-5082053122 [1,0,0,1,0,0|0,0,0]=2 357 B11R1.91 O=C(O)C#CC1CCCNC1 MCULE-1364265807 [1,0,0,1,0,0|1,0,0]=3 358 B11R1.91 O=C(O)C#CC1CCCNC1 MCULE-8856789307 [1,0,0,1,0,0|1,0,0]=3 359 B11R1.91 O=C(O)C#CC1CCCOC1 MCULE-2694768491 [1,0,0,1,0,0|1,0,0]=3 360 B11R1.91 O=C(O)C#CC1CCNCC1 MCULE-8935690041 [1,0,0,1,0,0|1,0,0]=3 361 B11R1.91 O=C(O)C#CC1CCNCC1 MCULE-9868136962 [1,0,0,1,0,0|1,0,0]=3 362 B11R1.91 O=C(O)C#CC1CCOCC1 MCULE-8516095327 [1,0,0,1,0,0|1,0,0]=3 363 B11R1.91 O=C(O)C=CC1CCCCC1 MCULE-4284204201 [1,0,0,1,0,0|0,0,2]=4 364 B11R1.91 O=C(O)CCC1CCCCC1 MCULE-6857024600 [1,0,0,1,0,0|0,0,2]=4 365 B11R1.91 O=C(O)CNC1CCCCC1 MCULE-5220210342 [1,0,0,1,0,0|1,0,1]=4 366 B11R1.91 O=C(O)CNC1CCCCC1 MCULE-9313520636 [1,0,0,1,0,0|1,0,1]=4 367 B11R1.91 O=C(O)COC1CCCCC1 MCULE-9015047559 [1,0,0,1,0,0|1,0,1]=4 368 B11R1.91 O=C(O)CSC1CCCCC1 MCULE-2242180425 [1,0,0,1,0,0|1,0,1]=4 369 B11R1.101 O=C1CCCCCCCCC1 MCULE-7431354983 [1,0,0,1,0,0|0,0,2]=4 370 B11R1.101 O=C1CCCCCCCCN1 MCULE-4805310836 [1,0,0,1,0,0|1,0,1]=4 371 B11R1.172 O=C(O)CCCC1CCCC1 MCULE-5735094397 [1,0,0,1,0,0|0,0,2]=4 372 B11R1.172 O=C(O)COCC1CCCC1 MCULE-5915220179 [1,0,0,1,0,0|1,0,1]=4 373 B11R1.193 CCCC1CCCC1C(=O)O MCULE-1492543766 [1,0,0,1,0,0|0,0,2]=4 374 B11R1.193 CCCC1CCNC1C(=O)O MCULE-3288508053 [1,0,0,1,0,0|1,0,1]=4 375 B11R1.193 CCCC1CCNC1C(=O)O MCULE-8057933085 [1,0,0,1,0,0|1,0,1]=4 376 B11R1.706 CC(=O)C1CCCCCCC1 MCULE-7453374150 [1,0,0,1,0,0|0,0,2]=4 377 B11R1.706 O=C(O)C1CCCCCCC1 MCULE-7220278799 [1,0,0,1,0,0|0,0,2]=4 378 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2852082428 [1,0,0,1,0,0|1,0,1]=4 379 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2931630393 [1,0,0,1,0,0|1,0,1]=4 380 B11R1.742 CC(=O)CN1CCCCCC1 MCULE-5319693118 [1,0,0,1,0,0|1,0,1]=4 381 B11R1.742 CC(=O)CN1CCCCCC1 MCULE-8763178253 [1,0,0,1,0,0|1,0,1]=4 382 B11R1.742 CC(=O)NC1CCCCCC1 MCULE-3697459369 [1,0,0,1,0,0|1,0,1]=4 383 B11R1.742 O=C(O)C=C1CCCCCC1 MCULE-5228387881 [1,0,0,1,0,0|0,0,2]=4 384 B11R1.742 O=C(O)CC1CCCCCC1 MCULE-3247091796 [1,0,0,1,0,0|0,0,2]=4 385 B11R1.742 O=C(O)CN1CCCCCC1 MCULE-1178025352 [1,0,0,1,0,0|1,0,1]=4 386 B11R1.742 O=C(O)CN1CCCCCC1 MCULE-1252489424 [1,0,0,1,0,0|1,0,1]=4 387 B11R1.1 CCCCC1CCC(=O)CC1 MCULE-3632759144 [1,0,0,1,0,0|1,0,1]=4 388 B11R1.25 CNC(=O)CCC1CCCC1 MCULE-3928070553 [1,0,0,1,0,0|1,0,1]=4 389 B11R1.25 COC(=O)/C=C/C1CCCC1 MCULE-1352596380 [1,0,0,1,0,0|0,0,2]=4 390 B11R1.25 COC(=O)C=CC1CCCC1 MCULE-8918279747 [1,0,0,1,0,0|0,0,2]=4 391 B11R1.25 COC(=O)CCC1CCCC1 MCULE-5184172905 [1,0,0,1,0,0|0,0,1]=3 392 B11R1.25 COC(=O)CCC1CCCO1 MCULE-6365564482 [1,0,0,1,0,0|1,0,1]=4 393 B11R1.25 COC(=O)CCC1CCNC1 MCULE-2733017217 [1,0,0,1,0,0|1,0,1]=4 394 B11R1.25 COC(=O)CCC1CCNC1 MCULE-4098395130 [1,0,0,1,0,0|1,0,1]=4 395 B11R1.25 COC(=O)CCN1CCCC1 MCULE-9621646936 [1,0,0,1,0,0|1,0,1]=4 396 B11R1.25 COC(=O)CNC1CCCC1 MCULE-1776376918 [1,0,0,1,0,0|1,0,1]=4 397 B11R1.25 COC(=O)CNC1CCCC1 MCULE-2460300969 [1,0,0,1,0,0|1,0,1]=4 398 B11R1.40 CCC(=O)CC1CCCCC1 MCULE-4548371264 [1,0,0,1,0,0|1,0,1]=4 399 B11R1.40 CCC(=O)NC1CCCCC1 MCULE-3419977107 [1,0,0,1,0,0|2,0,0]=4 400 B11R1.40 CCC(=O)OC1CCCCC1 MCULE-4878482925 [1,0,0,1,0,0|2,0,0]=4 401 B11R1.40 CNC(=O)CC1CCCCC1 MCULE-6265234454 [1,0,0,1,0,0|1,0,1]=4 402 B11R1.40 CNC(=O)NC1CCCCC1 MCULE-1669953265 [1,0,0,1,0,0|2,0,0]=4 403 B11R1.40 COC(=O)C=C1CCCCC1 MCULE-4895716264 [1,0,0,1,0,0|0,0,2]=4 404 B11R1.40 COC(=O)CC1CCCCC1 MCULE-4749534991 [1,0,0,1,0,0|0,0,1]=3 405 B11R1.40 COC(=O)CC1CCCCN1 MCULE-1659624694 [1,0,0,1,0,0|1,0,1]=4 406 B11R1.40 COC(=O)CC1CCCCN1 MCULE-5592891926 [1,0,0,1,0,0|1,0,1]=4 407 B11R1.40 COC(=O)CC1CCCNC1 MCULE-2894207855 [1,0,0,1,0,0|1,0,1]=4 408 B11R1.40 COC(=O)CC1CCCNC1 MCULE-8539590471 [1,0,0,1,0,0|1,0,1]=4 409 B11R1.40 COC(=O)CC1CCNCC1 MCULE-4818273917 [1,0,0,1,0,0|1,0,1]=4 410 B11R1.40 COC(=O)CC1CCNCC1 MCULE-6454857791 [1,0,0,1,0,0|1,0,1]=4 411 B11R1.40 COC(=O)CC1CCOCC1 MCULE-8506370541 [1,0,0,1,0,0|1,0,1]=4 412 B11R1.40 COC(=O)CC1CCSCC1 MCULE-2405303650 [1,0,0,1,0,0|1,0,1]=4 413 B11R1.40 COC(=O)C[C@@H]1CCCNC1 MCULE-3033016054 [1,0,0,1,0,0|1,0,1]=4 414 B11R1.40 COC(=O)C[C@@H]1CCCNC1 MCULE-3350930478 [1,0,0,1,0,0|1,0,1]=4 415 B11R1.40 COC(=O)C[C@@H]1CCCNC1 MCULE-8139225473 [1,0,0,1,0,0|1,0,1]=4 416 B11R1.40 COC(=O)C[C@@H]1CCCNC1 MCULE-8627301252 [1,0,0,1,0,0|1,0,1]=4 417 B11R1.40 COC(=O)C[C@H]1CCCCN1 MCULE-4319190168 [1,0,0,1,0,0|1,0,1]=4 418 B11R1.40 COC(=O)C[C@H]1CCCCN1 MCULE-9265663838 [1,0,0,1,0,0|1,0,1]=4 419 B11R1.40 COC(=O)C[C@H]1CCCNC1 MCULE-1720030033 [1,0,0,1,0,0|1,0,1]=4 420 B11R1.40 COC(=O)C[C@H]1CCCNC1 MCULE-6508778923 [1,0,0,1,0,0|1,0,1]=4 421 B11R1.40 COC(=O)C[C@H]1CCCNC1 MCULE-8131066241 [1,0,0,1,0,0|1,0,1]=4 422 B11R1.40 COC(=O)C[C@H]1CCCNC1 MCULE-8434859537 [1,0,0,1,0,0|1,0,1]=4 423 B11R1.40 COC(=O)NC1CCCCC1 MCULE-4935299070 [1,0,0,1,0,0|1,0,0]=3 424 B11R1.40 COC(=O)NC1CCCNC1 MCULE-9996682353 [1,0,0,1,0,0|2,0,0]=4 425 B11R1.40 COC(=O)NC1CCNCC1 MCULE-8108415339 [1,0,0,1,0,0|2,0,0]=4 426 B11R1.40 COC(=O)NC1CCNCC1 MCULE-8590745688 [1,0,0,1,0,0|2,0,0]=4 427 B11R1.40 CSC(=O)NC1CCCCC1 MCULE-8779554641 [1,0,0,1,0,0|1,1,0]=4 428 B11R1.59 CCN1CCCC1C(=O)OC MCULE-2111423873 [1,0,0,1,0,0|1,0,1]=4 429 B11R1.59 COC(=O)C1CCCC1CO MCULE-5803357761 [1,0,0,1,0,0|1,0,1]=4 430 B11R1.59 COC(=O)N1CCCC1OC MCULE-4556392766 [1,0,0,1,0,0|2,0,0]=4 431 B11R1.59 COC(=O)[C@@H]1CCC[C@H]1CO MCULE-4195422588 [1,0,0,1,0,0|1,0,1]=4 432 B11R1.59 COC(=O)[C@H]1CCC[C@@H]1CO MCULE-1028620967 [1,0,0,1,0,0|1,0,1]=4 433 B11R1.135 CCCC1CCNC(=O)CC1 MCULE-3101429191 [1,0,0,1,0,0|2,0,0]=4 434 B11R1.222 COC(=O)C1CCCCC1N MCULE-1825299804 [1,0,0,1,0,0|1,0,1]=4 435 B11R1.222 COC(=O)C1CCCCC1N MCULE-4137070739 [1,0,0,1,0,0|1,0,1]=4 436 B11R1.222 COC(=O)C1CCCCC1O MCULE-5625433366 [1,0,0,1,0,0|1,0,1]=4 437 B11R1.222 COC(=O)C1CCCCN1C MCULE-8053559173 [1,0,0,1,0,0|1,0,1]=4 438 B11R1.222 COC(=O)C1CCCNC1C MCULE-4090993645 [1,0,0,1,0,0|1,0,1]=4 439 B11R1.222 COC(=O)C1CCCNC1C MCULE-4200305359 [1,0,0,1,0,0|1,0,1]=4 440 B11R1.222 COC(=O)C1CCNCC1C MCULE-7624789928 [1,0,0,1,0,0|1,0,1]=4 441 B11R1.222 COC(=O)C1CCNCC1C MCULE-8344260310 [1,0,0,1,0,0|1,0,1]=4 442 B11R1.222 COC(=O)C1CNCCC1C MCULE-3273710064 [1,0,0,1,0,0|1,0,1]=4 443 B11R1.222 COC(=O)C1CNCCC1C MCULE-9474733870 [1,0,0,1,0,0|1,0,1]=4 444 B11R1.222 COC(=O)C1NCCCC1C MCULE-4240891821 [1,0,0,1,0,0|1,0,1]=4 445 B11R1.222 COC(=O)C1NCCCC1C MCULE-4887956825 [1,0,0,1,0,0|1,0,1]=4 446 B11R1.222 COC(=O)N1CCNC[C@@H]1C MCULE-8978482948 [1,0,0,1,0,0|2,0,0]=4 447 B11R1.222 COC(=O)N1CCNC[C@@H]1C MCULE-9419640595 [1,0,0,1,0,0|2,0,0]=4 448 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1N MCULE-3760129587 [1,0,0,1,0,0|1,0,1]=4 449 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1N MCULE-7526276286 [1,0,0,1,0,0|1,0,1]=4 450 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1O MCULE-2744100865 [1,0,0,1,0,0|1,0,1]=4 451 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1O MCULE-4997449445 [1,0,0,1,0,0|1,0,1]=4 452 B11R1.222 COC(=O)[C@@H]1CCCC[C@H]1N MCULE-2322146114 [1,0,0,1,0,0|1,0,1]=4 453 B11R1.222 COC(=O)[C@@H]1CCCC[C@H]1N MCULE-2671634853 [1,0,0,1,0,0|1,0,1]=4 454 B11R1.222 COC(=O)[C@@H]1CCCC[C@H]1N MCULE-8874981464 [1,0,0,1,0,0|1,0,1]=4 455 B11R1.222 COC(=O)[C@@H]1CCCC[C@H]1N MCULE-8895226982 [1,0,0,1,0,0|1,0,1]=4 456 B11R1.222 COC(=O)[C@@H]1CCCC[C@H]1N MCULE-9015389744 [1,0,0,1,0,0|1,0,1]=4 457 B11R1.222 COC(=O)[C@@H]1CCCC[C@H]1N MCULE-9606268315 [1,0,0,1,0,0|1,0,1]=4 458 B11R1.222 COC(=O)[C@@H]1CCCN[C@@H]1C MCULE-4860895329 [1,0,0,1,0,0|1,0,1]=4 459 B11R1.222 COC(=O)[C@@H]1CCCN[C@@H]1C MCULE-8654537084 [1,0,0,1,0,0|1,0,1]=4 460 B11R1.222 COC(=O)[C@@H]1CCCN[C@H]1C MCULE-7498048591 [1,0,0,1,0,0|1,0,1]=4 461 B11R1.222 COC(=O)[C@@H]1CCNC[C@@H]1C MCULE-4676728316 [1,0,0,1,0,0|1,0,1]=4 462 B11R1.222 COC(=O)[C@@H]1CCNC[C@@H]1C MCULE-4693869526 [1,0,0,1,0,0|1,0,1]=4 463 B11R1.222 COC(=O)[C@@H]1CCNC[C@@H]1C MCULE-6672831529 [1,0,0,1,0,0|1,0,1]=4 464 B11R1.222 COC(=O)[C@@H]1CCNC[C@@H]1C MCULE-8735606409 [1,0,0,1,0,0|1,0,1]=4 465 B11R1.222 COC(=O)[C@@H]1CNCC[C@@H]1C MCULE-4956578565 [1,0,0,1,0,0|1,0,1]=4 466 B11R1.222 COC(=O)[C@@H]1CNCC[C@@H]1C MCULE-6306125390 [1,0,0,1,0,0|1,0,1]=4 467 B11R1.222 COC(=O)[C@@H]1CNCC[C@H]1C MCULE-1098365784 [1,0,0,1,0,0|1,0,1]=4 468 B11R1.222 COC(=O)[C@@H]1CNCC[C@H]1C MCULE-6581985698 [1,0,0,1,0,0|1,0,1]=4 469 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N MCULE-3421501449 [1,0,0,1,0,0|1,0,1]=4 470 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N MCULE-4527749095 [1,0,0,1,0,0|1,0,1]=4 471 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N MCULE-5241465045 [1,0,0,1,0,0|1,0,1]=4 472 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N MCULE-9223863052 [1,0,0,1,0,0|1,0,1]=4 473 B11R1.222 COC(=O)[C@H]1CCCN[C@@H]1C MCULE-2757355307 [1,0,0,1,0,0|1,0,1]=4 474 B11R1.222 COC(=O)[C@H]1CCCN[C@H]1C MCULE-3385138275 [1,0,0,1,0,0|1,0,1]=4 475 B11R1.222 COC(=O)[C@H]1CCCN[C@H]1C MCULE-4359847105 [1,0,0,1,0,0|1,0,1]=4 476 B11R1.222 COC(=O)[C@H]1CCCN[C@H]1C MCULE-7058619393 [1,0,0,1,0,0|1,0,1]=4 477 B11R1.222 COC(=O)[C@H]1CNCC[C@@H]1C MCULE-7100934081 [1,0,0,1,0,0|1,0,1]=4 478 B11R1.222 COC(=O)[C@H]1CNCC[C@@H]1C MCULE-9285767505 [1,0,0,1,0,0|1,0,1]=4 479 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C MCULE-2607251792 [1,0,0,1,0,0|1,0,1]=4 480 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C MCULE-3363958778 [1,0,0,1,0,0|1,0,1]=4 481 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C MCULE-3805360011 [1,0,0,1,0,0|1,0,1]=4 482 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C MCULE-7618725820 [1,0,0,1,0,0|1,0,1]=4 483 B11R1.222 COC(=O)[C@H]1NCCC[C@H]1C MCULE-3063776541 [1,0,0,1,0,0|1,0,1]=4 484 B11R1.222 COC(=O)[C@H]1NCCC[C@H]1C MCULE-5946883789 [1,0,0,1,0,0|1,0,1]=4 485 B11R1.222 COC(=O)[C@H]1NCCC[C@H]1C MCULE-6952115958 [1,0,0,1,0,0|1,0,1]=4 486 B11R1.222 COC(=O)[C@H]1NCCC[C@H]1C MCULE-7399475599 [1,0,0,1,0,0|1,0,1]=4 487 B11R1.237 COC(=O)CCNCC1CC1 MCULE-5813060615 [1,0,0,1,0,0|1,0,1]=4 488 B11R1.381 CCC1CCCCC(=O)N1C MCULE-7428713358 [1,0,0,1,0,0|1,0,1]=4 489 B11R1.852 CCC(=O)C1CCCCCC1 MCULE-7443621337 [1,0,0,1,0,0|1,0,1]=4 490 B11R1.852 CNC(=O)C1CCCCCC1 MCULE-8197745195 [1,0,0,1,0,0|1,0,1]=4 491 B11R1.852 COC(=O)C1CCCCCC1 MCULE-8003000735 [1,0,0,1,0,0|0,0,1]=3 492 B11R1.852 COC(=O)C1CCCCCN1 MCULE-8548406183 [1,0,0,1,0,0|1,0,1]=4 493 B11R1.852 COC(=O)C1CCCCCN1 MCULE-9755218906 [1,0,0,1,0,0|1,0,1]=4 494 B11R1.852 COC(=O)C1CCCCNC1 MCULE-5033307999 [1,0,0,1,0,0|1,0,1]=4 495 B11R1.852 COC(=O)C1CCCCNC1 MCULE-5999850816 [1,0,0,1,0,0|1,0,1]=4 496 B11R1.852 COC(=O)C1CCCNCC1 MCULE-3407559638 [1,0,0,1,0,0|1,0,1]=4 497 B11R1.852 COC(=O)C1CCCNCC1 MCULE-7978075592 [1,0,0,1,0,0|1,0,1]=4 498 B11R1.852 COC(=O)N1CCCNCC1 MCULE-2036464472 [1,0,0,1,0,0|2,0,0]=4 499 B11R1.852 COC(=O)N1CCCNCC1 MCULE-5917538833 [1,0,0,1,0,0|2,0,0]=4 500 B11R1.852 COC(=O)[C@@H]1CCCCCN1 MCULE-2832726026 [1,0,0,1,0,0|1,0,1]=4 501 B11R1.852 COC(=O)[C@@H]1CCCCCN1 MCULE-6917033588 [1,0,0,1,0,0|1,0,1]=4 502 B11R1.852 COC(=O)[C@H]1CCCCCN1 MCULE-1594353042 [1,0,0,1,0,0|1,0,1]=4 503 B11R1.852 COC(=O)[C@H]1CCCCCN1 MCULE-7957773860 [1,0,0,1,0,0|1,0,1]=4 504 B13R1.42 CCOC(=O)/C=C/C1CCCCC1 MCULE-1457900968 [0,1,0,1,0,0|0,0,2]=4 505 B13R1.42 CCOC(=O)C=CC1CCCCC1 MCULE-5687333040 [0,1,0,1,0,0|0,0,2]=4 506 B13R1.42 CCOC(=O)CCC1CCCCC1 MCULE-3795646947 [0,1,0,1,0,0|0,0,2]=4 507 B13R1.42 CCOC(=O)CNC1CCCCC1 MCULE-1722006916 [0,1,0,1,0,0|1,0,1]=4 508 B13R1.42 CCOC(=O)CNC1CCCCC1 MCULE-4764520099 [0,1,0,1,0,0|1,0,1]=4 509 B13R1.279 O=C1CCCCCCCCCCO1 MCULE-5646678690 [0,1,0,1,0,0|0,0,2]=4 510 B13R1.470 CCOC(=O)CC1CCCCC1C MCULE-2556210216 [0,1,0,1,0,0|0,0,2]=4 511 B13R1.470 CCOC(=O)CN1CCCCC1C MCULE-7049686856 [0,1,0,1,0,0|1,0,1]=4 512 B13R1.1464 CCOC(=O)C1CCCCCCC1 MCULE-7547074128 [0,1,0,1,0,0|0,0,2]=4 513 B13R1.1575 CCOC(=O)C=C1CCCCCC1 MCULE-9731133687 [0,1,0,1,0,0|0,0,2]=4 514 B13R1.1575 CCOC(=O)CC1CCCCCC1 MCULE-3082077758 [0,1,0,1,0,0|0,0,2]=4 515 B13R1.1575 CCOC(=O)CN1CCCCCC1 MCULE-5110746682 [0,1,0,1,0,0|1,0,1]=4 516 B13R1.1575 CCOC(=O)NC1CCCCCC1 MCULE-5320832869 [0,1,0,1,0,0|1,0,1]=4 517 B13R1.1575 COCC(=O)NC1CCCCCC1 MCULE-2405001825 [0,1,0,1,0,0|1,0,1]=4 518 B13R1.135 COC(=O)C(N)CC1CCCCC1 MCULE-2510942472 [0,1,0,1,0,0|0,0,2]=4 519 B13R1.135 COC(=O)C(N)CC1CCCCC1 MCULE-4033613776 [0,1,0,1,0,0|0,0,2]=4 520 B13R1.135 COC(=O)C(N)CC1CCCCC1 MCULE-8516612163 [0,1,0,1,0,0|0,0,2]=4 521 B13R1.135 COC(=O)C(O)CC1CCCCC1 MCULE-5392320369 [0,1,0,1,0,0|0,0,2]=4 522 B13R1.135 COC(=O)C([NH3+])CC1CCCCC1 MCULE-7882303427 [0,1,0,1,0,0|0,0,2]=4 523 B13R1.135 COC(=O)[C@@H](N)CC1CCCCC1 MCULE-4477542346 [0,1,0,1,0,0|0,0,2]=4 524 B13R1.135 COC(=O)[C@@H](N)CC1CCCCC1 MCULE-7319974393 [0,1,0,1,0,0|0,0,2]=4 525 B13R1.135 COC(=O)[C@@H](N)CC1CCCCC1 MCULE-8414305169 [0,1,0,1,0,0|0,0,2]=4 526 B13R1.135 COC(=O)[C@@H](N)CC1CCCCC1 MCULE-8597194587 [0,1,0,1,0,0|0,0,2]=4 527 B13R1.135 COC(=O)[C@H](N)CC1CCCCC1 MCULE-1785615651 [0,1,0,1,0,0|0,0,2]=4 528 B13R1.135 COC(=O)[C@H](N)CC1CCCCC1 MCULE-2749145426 [0,1,0,1,0,0|0,0,2]=4 529 B13R1.135 COC(=O)[C@H](N)CC1CCCCC1 MCULE-5156588254 [0,1,0,1,0,0|0,0,2]=4 530 B13R1.135 COC(=O)[C@H](N)CC1CCCCC1 MCULE-8167140931 [0,1,0,1,0,0|0,0,2]=4 531 B13R1.135 [C@@H](C)(NC1CCCCC1)C(=O)OC MCULE-4598545139 [0,1,0,1,0,0|1,0,1]=4 532 B13R1.135 [C@@H](C)(NC1CCCCC1)C(=O)OC MCULE-7965867722 [0,1,0,1,0,0|1,0,1]=4 533 B13R1.1688 COC(=O)C1CCCCCC(C1)O MCULE-8398930130 [0,1,0,1,0,0|0,0,2]=4 534 B13R1.1843 COC(=O)C1(CCCCCCC1)N MCULE-2824322353 [0,1,0,1,0,0|0,0,2]=4 535 B13R1.528 COC(=O)CCN1CCCCC1C MCULE-8929818560 [0,1,0,1,0,0|0,0,2]=4 536 B13R1.718 COC(=O)CCCC1CCNCC1 MCULE-7580366096 [0,1,0,1,0,0|0,0,2]=4 537 B13R1.718 COC(=O)CCCC1CCNCC1 MCULE-9217647970 [0,1,0,1,0,0|0,0,2]=4 538 B13R1.718 COC(=O)CCCN1CCCCC1 MCULE-6840007912 [0,1,0,1,0,0|0,0,2]=4 539 B13R1.718 COC(=O)CCCN1CCCCC1 MCULE-9231421014 [0,1,0,1,0,0|0,0,2]=4 540 B13R1.718 COC(=O)CCNC1CCCCC1 MCULE-2199390487 [0,1,0,1,0,0|0,0,2]=4 541 B13R1.718 COC(=O)NCCC1CCCCN1 MCULE-8941703851 [0,1,0,1,0,0|1,0,1]=4 542 B13R1.11 COC(=O)CC(=O)C1CCCCC1 MCULE-3017627155 [0,1,0,1,0,0|0,0,2]=4 543 B13R1.11 COC(=O)CC(N)C1CCCCC1 MCULE-1800765089 [0,1,0,1,0,0|0,0,2]=4 544 B13R1.11 COC(=O)CC(N)C1CCCCC1 MCULE-2309042924 [0,1,0,1,0,0|0,0,2]=4 545 B13R1.11 COC(=O)CN(C)C1CCCCC1 MCULE-4829095543 [0,1,0,1,0,0|1,0,1]=4 546 B13R1.546 COC(=O)C1CCCCCCC1=O MCULE-2058547373 [0,1,0,1,0,0|0,0,2]=4 547 B13R1.1711 COC(=O)CCN1CCCCCC1 MCULE-1344291062 [0,1,0,1,0,0|0,0,2]=4 548 B13R1.1711 COC(=O)CCN1CCCCCC1 MCULE-4180090952 [0,1,0,1,0,0|0,0,2]=4 549 B13R1.2045 COC(=O)C#CC1(CCCCC1)O MCULE-3051363624 [0,1,0,1,0,0|0,0,0]=2 550 B13R1.2045 COC(=O)CCC1(CCCCC1)N MCULE-1224408794 [0,1,0,1,0,0|0,0,2]=4 551 B13R1.2045 COC(=O)CCC1(CCCCC1)N MCULE-3418473431 [0,1,0,1,0,0|0,0,2]=4 552 B13R1.14 COC(=O)CO[C@H]1CC[C@@H](CC1)N MCULE-9985979018 [0,1,0,1,0,0|1,0,1]=4 553 B13R1.536 COC(=O)CCNCC1CCCC1 MCULE-8692054082 [0,1,0,1,0,0|0,0,2]=4 554 B13R2.10 O=C1NC(CO1)C2CCCCC2 MCULE-5694957688 [0,0,0,2,0,0|1,0,1]=4 555 B13R2.142 O=C1NC(CO1)CC2CCCC2 MCULE-4963170434 [0,0,0,2,0,0|1,0,1]=4 556 B13R2.528 COC(=O)C1OC12CCCCC2 MCULE-6605255919 [0,0,0,2,0,0|1,0,1]=4 557 B13R2.15272 COC(=O)C1NC2C1CCCC2 MCULE-7675509631 [0,0,0,2,0,0|1,0,1]=4 558 B13R2.533 COC(=O)C1NCC12CCCC2 MCULE-2083682040 [0,0,0,2,0,0|1,0,1]=4 559 B13R2.533 COC(=O)C1NCC12CCCC2 MCULE-6209167801 [0,0,0,2,0,0|1,0,1]=4