0 B13R0.280 CCCCCCCCCCP(=O)(C)C MCULE-7993897252 [0,0,0,0,0,0|0,1,1]=2 1 B13R0.280 CCCCCCCCCCP(=O)(O)O MCULE-1652235001 [0,0,0,0,0,0|2,1,1]=4 2 B13R0.280 CCCCCCCCCCS(=O)(=O)Cl MCULE-6241290151 [0,0,0,0,0,0|3,0,1]=4 3 B13R0.280 CCCCCCCCCCS(=O)(=O)N MCULE-9253411450 [0,0,0,0,0,0|3,0,1]=4 4 B13R0.280 CCCCCCCCCCS(=O)(=O)O MCULE-1242262217 [0,0,0,0,0,0|3,0,1]=4 5 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] MCULE-7783749388 [0,0,0,0,0,0|3,0,0]=3 6 B13R0.280 CCCCCCCCCC[N+](C)(C)C MCULE-3384760582 [0,0,0,0,0,0|1,0,0]=1 7 B13R0.280 CCCCCCCCCC[N+](C)(C)C MCULE-7441976704 [0,0,0,0,0,0|1,0,0]=1 8 B13R0.280 CCCCCCCCCC[N+](C)(C)C MCULE-9457271107 [0,0,0,0,0,0|1,0,0]=1 9 B13R0.280 CCCCCCCCCC[N+](C)(C)[O-] MCULE-9878706939 [0,0,0,0,0,0|0,0,0]=0 10 B13R0.280 CCCCCCCCCC[Si](C)(C)Cl MCULE-6793568340 [0,0,0,0,0,0|2,0,0]=2 11 B13R0.280 CCCCCCCCCC[Si](C)(Cl)Cl MCULE-9569407905 [0,0,0,0,0,0|3,0,0]=3 12 B13R0.280 CCCCCCCCCC[Si](Cl)(Cl)Cl MCULE-2592527518 [0,0,0,0,0,0|4,0,0]=4 13 B12R0.119 CCCCCCCCCC(C)(C)S MCULE-3176642019 [1,0,0,0,0,0|1,1,0]=3 14 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] MCULE-1927567552 [1,0,0,0,0,0|3,0,0]=4 15 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] MCULE-3281419364 [1,0,0,0,0,0|3,0,0]=4 16 B12R0.119 CCCCCCCCC[N+](C)(C)C MCULE-4520557522 [1,0,0,0,0,0|1,0,0]=2 17 B12R0.119 CCCCCCCCC[N+](C)(C)C MCULE-7843133892 [1,0,0,0,0,0|1,0,0]=2 18 B12R0.119 CCCCCCCCOC(C)(C)C MCULE-3872927041 [1,0,0,0,0,0|3,0,0]=4 19 B12R0.119 CCCCCCCCOP(=O)(C)C MCULE-5071482809 [1,0,0,0,0,0|1,1,1]=4 20 B12R0.234 C=C(Br)CCCCCCCCCC MCULE-6429692740 [1,0,0,0,0,0|2,0,1]=4 21 B12R0.234 C=C(C)CCCCCCCCCC MCULE-5430192671 [1,0,0,0,0,0|1,0,1]=3 22 B12R0.234 C=C(Cl)CCCCCCCCCC MCULE-5277185113 [1,0,0,0,0,0|2,0,1]=4 23 B12R0.234 CCCCCCCCCCB(O)O MCULE-6277841305 [1,0,0,0,0,0|2,0,1]=4 24 B12R0.234 CCCCCCCCCCC(=O)C MCULE-3936750617 [1,0,0,0,0,0|1,0,1]=3 25 B12R0.234 CCCCCCCCCCC(=O)Cl MCULE-1131766423 [1,0,0,0,0,0|2,0,1]=4 26 B12R0.234 CCCCCCCCCCC(=O)N MCULE-7086521203 [1,0,0,0,0,0|2,0,1]=4 27 B12R0.234 CCCCCCCCCCC(=O)O MCULE-5110587542 [1,0,0,0,0,0|2,0,1]=4 28 B12R0.234 CCCCCCCCCCC(C)N MCULE-6206499625 [1,0,0,0,0,0|2,0,0]=3 29 B12R0.234 CCCCCCCCCCC(C)O MCULE-9407036721 [1,0,0,0,0,0|1,0,1]=3 30 B12R0.234 CCCCCCCCCCN(=O)=O MCULE-9525688454 [1,0,0,0,0,0|1,0,2]=4 31 B12R0.234 CCCCCCCCCCN(C)C MCULE-5051937267 [1,0,0,0,0,0|0,0,1]=2 32 B12R0.234 CCCCCCCCCCS(=O)C MCULE-1607212944 [1,0,0,0,0,0|1,0,1]=3 33 B12R0.234 CCCCCCCCCOC(=O)C MCULE-7712513310 [1,0,0,0,0,0|2,0,1]=4 34 B12R0.234 CCCCCCCCNCC(C)O MCULE-9293787711 [1,0,0,0,0,0|2,0,1]=4 35 B12R0.234 CCCCCCCCOCC(C)O MCULE-7262368590 [1,0,0,0,0,0|2,0,1]=4 36 B12R0.234 CCCCOCCOCCN(C)C MCULE-8139043410 [1,0,0,0,0,0|2,0,1]=4 37 B14R0.88 CC(C)(C)CCCCCCCCCCS MCULE-7614280801 [0,1,0,0,0,0|2,0,0]=3 38 B14R0.88 CCCCCCCCCCCC(C)(C)S MCULE-9956928254 [0,1,0,0,0,0|1,1,0]=3 39 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] MCULE-3066318526 [0,1,0,0,0,0|3,0,0]=4 40 B14R0.88 CCCCCCCCCCCS(=O)(=O)[O-] MCULE-7737058858 [0,1,0,0,0,0|3,0,0]=4 41 B14R0.88 CCCCCCCCCCC[N+](C)(C)[O-] MCULE-7281407013 [0,1,0,0,0,0|0,0,0]=1 42 B14R0.88 CCCCCCCCCCNC(C)(C)C MCULE-3212441646 [0,1,0,0,0,0|2,0,0]=3 43 B14R0.88 CCCCCCCCCCNC(C)(C)C MCULE-7219499518 [0,1,0,0,0,0|2,0,0]=3 44 B14R0.88 CCCCCCCCCCOP(=O)([O-])O MCULE-7698287185 [0,1,0,0,0,0|2,1,0]=4 45 B14R0.88 CCCCCCCCCCOS(=O)(=O)[O-] MCULE-7216166437 [0,1,0,0,0,0|3,0,0]=4 46 B14R0.2056 CCCCCCCCCC[Si](C)(C)OC MCULE-9665173477 [0,1,0,0,0,0|1,0,1]=3 47 B14R1.4972 CC1(CCCCCCCCCCC1)O MCULE-6571841065 [0,0,0,1,0,0|1,0,1]=3 48 B11R0.148 C=C(C)CCCCCCCCC MCULE-1709497926 [2,0,0,0,0,0|1,0,1]=4 49 B11R0.148 CC(C)CCCCCCCCO MCULE-9926933955 [2,0,0,0,0,0|2,0,0]=4 50 B11R0.148 CCCCCCCCCC(=O)C MCULE-6858373499 [2,0,0,0,0,0|1,0,1]=4 51 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-2720595773 [2,0,0,0,0,0|2,0,0]=4 52 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-7398604282 [2,0,0,0,0,0|2,0,0]=4 53 B11R0.148 CCCCCCCCCC(C)C MCULE-1079534714 [2,0,0,0,0,0|1,0,0]=3 54 B11R0.148 CCCCCCCCCC(C)N MCULE-8277808063 [2,0,0,0,0,0|2,0,0]=4 55 B11R0.148 CCCCCCCCCC(C)O MCULE-8628471202 [2,0,0,0,0,0|1,0,1]=4 56 B11R0.148 CN(C)CCCCCCCCN MCULE-6651981566 [2,0,0,0,0,0|1,0,1]=4 57 B11R0.148 CN(C)CCCCCCCCO MCULE-5273481320 [2,0,0,0,0,0|1,0,1]=4 58 B11R0.159 CCCCCCCCC(C)(C)C MCULE-9346167511 [2,0,0,0,0,0|2,0,0]=4 59 B11R0.159 CCCCCCCC[N+](C)(C)C MCULE-8224932542 [2,0,0,0,0,0|1,0,0]=3 60 B11R0.159 CCCCCCCC[N+](C)(C)C MCULE-8271976836 [2,0,0,0,0,0|1,0,0]=3 61 B11R0.159 CCCCCCCC[N+](C)(C)C MCULE-9239605360 [2,0,0,0,0,0|1,0,0]=3 62 B11R0.159 CCCCCCCC[Si](C)(C)Cl MCULE-8932096350 [2,0,0,0,0,0|2,0,0]=4 63 B11R0.159 C[N+](C)(C)CCCCCCCBr MCULE-7277093189 [2,0,0,0,0,0|2,0,0]=4 64 B11R0.159 C[N+](C)(C)CCCCCCCBr MCULE-9862560854 [2,0,0,0,0,0|2,0,0]=4 65 B11R0.3 C#CCCCCCCCCCC MCULE-8413126831 [2,0,0,0,0,0|1,0,1]=4 66 B11R0.3 C=CCCCCCCCCCC MCULE-4843306057 [2,0,0,0,0,0|1,0,1]=4 67 B11R0.3 CCCCCCCCCCC#N MCULE-7957242645 [2,0,0,0,0,0|2,0,0]=4 68 B11R0.3 CCCCCCCCCCC=O MCULE-2842613213 [2,0,0,0,0,0|1,0,1]=4 69 B11R0.3 CCCCCCCCCCCBr MCULE-1007413186 [2,0,0,0,0,0|2,0,0]=4 70 B11R0.3 CCCCCCCCCCCC MCULE-3947157412 [2,0,0,0,0,0|1,0,0]=3 71 B11R0.3 CCCCCCCCCCCCl MCULE-9378407763 [2,0,0,0,0,0|2,0,0]=4 72 B11R0.3 CCCCCCCCCCCI MCULE-2947342202 [2,0,0,0,0,0|2,0,0]=4 73 B11R0.3 CCCCCCCCCCCN MCULE-7249870518 [2,0,0,0,0,0|2,0,0]=4 74 B11R0.3 CCCCCCCCCCCO MCULE-9897986150 [2,0,0,0,0,0|1,0,1]=4 75 B11R0.3 CCCCCCCCCCCS MCULE-6868324316 [2,0,0,0,0,0|1,1,0]=4 76 B11R0.3 CCCCCCCCCCNC MCULE-1416369118 [2,0,0,0,0,0|0,0,1]=3 77 B11R0.3 CCCCCCCCCCNC MCULE-6168905746 [2,0,0,0,0,0|0,0,1]=3 78 B11R0.3 CCCCCCCCCCOC MCULE-1264379510 [2,0,0,0,0,0|1,0,0]=3 79 B11R0.3 CCCCCCCCCCON MCULE-2069797576 [2,0,0,0,0,0|2,0,0]=4 80 B11R0.3 CCCCCCCCCCON MCULE-7830749583 [2,0,0,0,0,0|2,0,0]=4 81 B11R0.3 CCCCCCCCCCSC MCULE-7334657081 [2,0,0,0,0,0|1,0,0]=3 82 B11R0.3 CCCCCCCCCNCC MCULE-2932168769 [2,0,0,0,0,0|2,0,0]=4 83 B11R0.3 CCCCCCCCCSCC MCULE-6635551100 [2,0,0,0,0,0|2,0,0]=4 84 B11R0.3 CCCCCCCCNCCC MCULE-8531662839 [2,0,0,0,0,0|2,0,0]=4 85 B11R0.3 CCCCCCCNCCCC MCULE-4951242533 [2,0,0,0,0,0|2,0,0]=4 86 B11R0.3 CCCCCCNCCCOC MCULE-6742672078 [2,0,0,0,0,0|2,0,0]=4 87 B11R0.3 CNCCCCCCCCNC MCULE-2607021323 [2,0,0,0,0,0|1,0,1]=4 88 B11R0.3 COCCCCCCCCCBr MCULE-8740247574 [2,0,0,0,0,0|2,0,0]=4 89 B11R0.3 COCCCCCCCCCN MCULE-5428647902 [2,0,0,0,0,0|2,0,0]=4 90 B11R0.3 COCCCCCCCCCO MCULE-5483027656 [2,0,0,0,0,0|2,0,0]=4 91 B11R0.3 COCCCCCCCCOC MCULE-6292448161 [2,0,0,0,0,0|2,0,0]=4 92 B11R0.3 [NH2+](CCCC)CCCCCCC MCULE-5696674484 [2,0,0,0,0,0|2,0,0]=4 93 B13R0.54 C=C(C)CCCCCCCCCCC MCULE-6486590493 [1,1,0,0,0,0|1,0,1]=4 94 B13R0.54 CC(C)CCCCCCCCCCO MCULE-3770739954 [1,1,0,0,0,0|1,0,0]=3 95 B13R0.54 CCCCCCCCCCCC(=O)C MCULE-9311016763 [1,1,0,0,0,0|1,0,1]=4 96 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-4306276668 [1,1,0,0,0,0|2,0,0]=4 97 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-5989799433 [1,1,0,0,0,0|2,0,0]=4 98 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-7873290711 [1,1,0,0,0,0|2,0,0]=4 99 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-8752609733 [1,1,0,0,0,0|2,0,0]=4 100 B13R0.54 CCCCCCCCCCCC(C)N MCULE-3980418920 [1,1,0,0,0,0|2,0,0]=4 101 B13R0.54 CCCCCCCCCCCC(C)O MCULE-3181779723 [1,1,0,0,0,0|1,0,1]=4 102 B13R0.54 CCCCCCCCCCCN(C)C MCULE-5478138058 [1,1,0,0,0,0|0,0,1]=3 103 B13R0.54 CCCCCCCCCCOC(=O)C MCULE-7452399897 [1,1,0,0,0,0|1,0,1]=4 104 B13R0.54 CCCCCCCCSCCC(=O)[O-] MCULE-2242790491 [1,1,0,0,0,0|2,0,0]=4 105 B13R0.54 NCCCCCCCCCCC(=O)[O-] MCULE-8171823933 [1,1,0,0,0,0|2,0,0]=4 106 B13R0.147 CCCCCCCCCCC(=O)OC MCULE-4524637821 [1,1,0,0,0,0|1,0,1]=4 107 B13R0.147 CCCCCCCCCCC(Br)CBr MCULE-9794028276 [1,1,0,0,0,0|2,0,0]=4 108 B13R0.147 CCCCCCCCCCC(C)C=O MCULE-1597303567 [1,1,0,0,0,0|1,0,1]=4 109 B13R0.147 CCCCCCCCCCC(C)CO MCULE-5502474074 [1,1,0,0,0,0|1,0,0]=3 110 B13R0.147 CCCCCCCCCCC(Cl)CCl MCULE-2606330649 [1,1,0,0,0,0|2,0,0]=4 111 B13R0.147 CCCCCCCCCCC(O)CN MCULE-5193471557 [1,1,0,0,0,0|1,0,1]=4 112 B13R0.147 CCCCCCCCCCC(O)CO MCULE-2615675340 [1,1,0,0,0,0|1,0,1]=4 113 B13R0.147 CCCCCCCCCCC([NH3+])CO MCULE-5249425084 [1,1,0,0,0,0|2,0,0]=4 114 B13R0.147 CCCCCCCCCCC([NH3+])CO MCULE-6389413958 [1,1,0,0,0,0|2,0,0]=4 115 B13R0.147 CCCCCCCCCC[C@@H](O)CO MCULE-6042369532 [1,1,0,0,0,0|1,0,1]=4 116 B13R0.147 CCCCCCCCCC[C@H](O)CO MCULE-1604714068 [1,1,0,0,0,0|1,0,1]=4 117 B13R0.150 CCCCCCCCCC(=O)N(C)C MCULE-9601486105 [1,1,0,0,0,0|0,0,2]=4 118 B13R0.154 CCCCCCCC(=O)CCN(C)C MCULE-7231680801 [1,1,0,0,0,0|0,0,2]=4 119 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] MCULE-5105119706 [1,1,0,0,0,0|2,0,0]=4 120 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] MCULE-6637797878 [1,1,0,0,0,0|2,0,0]=4 121 B13R0.335 C=C(C)CC(C)CCCCCCCC MCULE-5619106321 [1,1,0,0,0,0|1,0,1]=4 122 B15R0.252 CCCCCCCCCCCCN(=O)(C)C MCULE-8984989718 [0,2,0,0,0,0|0,0,2]=4 123 B15R0.252 CCCCCCCCCCCCP(=O)(C)C MCULE-6635022490 [0,2,0,0,0,0|0,1,1]=4 124 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C MCULE-1017733573 [0,2,0,0,0,0|1,0,0]=3 125 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C MCULE-2462414224 [0,2,0,0,0,0|1,0,0]=3 126 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C MCULE-5700666885 [0,2,0,0,0,0|1,0,0]=3 127 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C MCULE-6889026617 [0,2,0,0,0,0|1,0,0]=3 128 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C MCULE-8009726786 [0,2,0,0,0,0|1,0,0]=3 129 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C MCULE-8554349544 [0,2,0,0,0,0|1,0,0]=3 130 B15R0.252 CCCCCCCCCCCC[N+](C)(C)N MCULE-4643283157 [0,2,0,0,0,0|1,0,0]=3 131 B15R0.252 CCCCCCCCCCCC[N+](C)(C)N MCULE-7699019277 [0,2,0,0,0,0|1,0,0]=3 132 B15R0.252 CCCCCCCCCCCC[Si](C)(C)Cl MCULE-9581783990 [0,2,0,0,0,0|2,0,0]=4 133 B15R0.252 C[N+](C)(C)CCCCCCCCCCCS MCULE-4087137218 [0,2,0,0,0,0|1,0,0]=3 134 B15R0.252 C[N+](C)(C)CCCCCCCCCCCS MCULE-5504881571 [0,2,0,0,0,0|1,0,0]=3 135 B15R0.252 C[Si](C)(Cl)CCCCCCCCCCCBr MCULE-2187087709 [0,2,0,0,0,0|2,0,0]=4 136 B15R0.3232 CCCCCCCCOC(=O)C[N+](C)(C)C MCULE-4203413931 [0,2,0,0,0,0|1,0,1]=4 137 B15R0.3232 CCCCCCCCOC(=O)C[N+](C)(C)C MCULE-5659105368 [0,2,0,0,0,0|1,0,1]=4 138 B15R0.1157 C#CC[N+](C)(C)CCCCCCCCCC MCULE-1539188762 [0,2,0,0,0,0|1,0,0]=3 139 B15R0.1157 C#CC[N+](C)(C)CCCCCCCCCC MCULE-7146956257 [0,2,0,0,0,0|1,0,0]=3 140 B15R0.1626 CCCCCCCCCCC(C)(C)C(=O)O MCULE-7436631442 [0,2,0,0,0,0|1,0,1]=4 141 B13R1.279 C=C1CCCCCCCCCCC1 MCULE-1393925319 [1,0,0,1,0,0|1,0,1]=4 142 B13R1.279 NC1CCCCCCCCCCC1 MCULE-2290888255 [1,0,0,1,0,0|2,0,0]=4 143 B13R1.279 NC1CCCCCCCCCCC1 MCULE-4286699290 [1,0,0,1,0,0|2,0,0]=4 144 B13R1.279 O=C1CCCCCCCCCCC1 MCULE-8431279332 [1,0,0,1,0,0|1,0,1]=4 145 B13R1.279 OC1CCCCCCCCCCC1 MCULE-4246723921 [1,0,0,1,0,0|1,0,1]=4 146 B13R1.279 SC1CCCCCCCCCCC1 MCULE-1071128546 [1,0,0,1,0,0|1,1,0]=4 147 B13R1.337 C=C(C)CCCCC1CCCCC1 MCULE-8165088148 [1,0,0,1,0,0|1,0,1]=4 148 B13R1.337 CN(C)CCNCC1CCCCC1 MCULE-1862771214 [1,0,0,1,0,0|1,0,1]=4 149 B13R1.337 CN(C)CCNCC1CCCCC1 MCULE-3531196170 [1,0,0,1,0,0|1,0,1]=4 150 B13R1.337 CN(C)CCNCC1CCCCC1 MCULE-9858423886 [1,0,0,1,0,0|1,0,1]=4 151 B13R1.659 BrCCCCCCCCCC1CC1 MCULE-7543642317 [1,0,0,1,0,0|2,0,0]=4 152 B13R1.659 CCCCCCCCCCC1CO1 MCULE-4819613479 [1,0,0,1,0,0|1,0,1]=4 153 B13R1.659 CCCCCCCCCC[C@@H]1CO1 MCULE-4884564986 [1,0,0,1,0,0|1,0,1]=4 154 B13R1.1988 C=C(C)CCCC1CCCCCC1 MCULE-6488235518 [1,0,0,1,0,0|1,0,1]=4 155 B15R1.3465 C[N+](C)(C)CC(O)COC1CCCCC1 MCULE-6692405897 [0,1,0,1,0,0|2,0,0]=4 156 B15R1.3465 C[N+](C)(C)CC(O)COC1CCCCC1 MCULE-7894518242 [0,1,0,1,0,0|2,0,0]=4 157 B15R1.25786 C[N+](C)(C)CCCCC[N+]1(CCCC1)C MCULE-5172794048 [0,1,0,1,0,0|2,0,0]=4 158 B15R1.25786 C[N+](C)(C)CCCCC[N+]1(CCCC1)C MCULE-8941884030 [0,1,0,1,0,0|2,0,0]=4 159 B15R1.25839 C[N+](C)(C)CCCC[N+]1(CCCCC1)C MCULE-1716761998 [0,1,0,1,0,0|2,0,0]=4 160 B15R1.25839 C[N+](C)(C)CCCC[N+]1(CCCCC1)C MCULE-9171317970 [0,1,0,1,0,0|2,0,0]=4