0 B12R0.234 C#CCCCCCCCCC(=O)O MCULE-2483655428 [0,0,0,0,0,0|0,0,4]=4 1 B12R0.234 C=C(Br)CCCCCCCCCC MCULE-6429692740 [0,0,0,0,0,0|2,0,2]=4 2 B12R0.234 C=C(C)CCCCCCCCCC MCULE-5430192671 [0,0,0,0,0,0|2,0,2]=4 3 B12R0.234 C=C(Cl)CCCCCCCCCC MCULE-5277185113 [0,0,0,0,0,0|2,0,2]=4 4 B12R0.234 C=CCCCCCCCCC(=O)O MCULE-7928135942 [0,0,0,0,0,0|0,0,4]=4 5 B12R0.234 CC#CCCCCCCCC(=O)O MCULE-8975663292 [0,0,0,0,0,0|0,0,4]=4 6 B12R0.234 CC(=O)OCCCCCCCCBr MCULE-4728650316 [0,0,0,0,0,0|3,0,1]=4 7 B12R0.234 CCCCCCC/C=C/CC(=O)C MCULE-6992455059 [0,0,0,0,0,0|1,0,2]=3 8 B12R0.234 CCCCCCCC/C=C/C(=O)O MCULE-6786701242 [0,0,0,0,0,0|0,0,0]=0 9 B12R0.234 CCCCCCCCC=CC(=O)O MCULE-7750983255 [0,0,0,0,0,0|0,0,0]=0 10 B12R0.234 CCCCCCCCCCB(O)O MCULE-6277841305 [0,0,0,0,0,0|1,0,3]=4 11 B12R0.234 CCCCCCCCCCC(=O)C MCULE-3936750617 [0,0,0,0,0,0|1,0,2]=3 12 B12R0.234 CCCCCCCCCCC(=O)Cl MCULE-1131766423 [0,0,0,0,0,0|1,0,2]=3 13 B12R0.234 CCCCCCCCCCC(=O)N MCULE-7086521203 [0,0,0,0,0,0|1,0,2]=3 14 B12R0.234 CCCCCCCCCCC(=O)O MCULE-5110587542 [0,0,0,0,0,0|0,0,2]=2 15 B12R0.234 CCCCCCCCCCC(C)O MCULE-9407036721 [0,0,0,0,0,0|1,0,3]=4 16 B12R0.234 CCCCCCCCCCN(=O)=O MCULE-9525688454 [0,0,0,0,0,0|1,0,3]=4 17 B12R0.234 CCCCCCCCCCS(=O)C MCULE-1607212944 [0,0,0,0,0,0|2,0,2]=4 18 B12R0.234 CCCCCCCCCOC(=O)C MCULE-7712513310 [0,0,0,0,0,0|2,0,1]=3 19 B12R0.234 CCCCCCCCCOC(=O)Cl MCULE-4937657236 [0,0,0,0,0,0|2,0,1]=3 20 B12R0.234 CCCCCCCCCOC(=S)[S-] MCULE-1048722427 [0,0,0,0,0,0|1,2,1]=4 21 B12R0.234 CCCCCCCCCOC(=S)[S-] MCULE-2082950273 [0,0,0,0,0,0|1,2,1]=4 22 B12R0.234 CCCCCCCCCSC(=N)N MCULE-2574065227 [0,0,0,0,0,0|3,0,1]=4 23 B12R0.234 CCCCCCCCCSC(=N)N MCULE-7175152082 [0,0,0,0,0,0|3,0,1]=4 24 B12R0.234 CCCCCCCCNCC(C)O MCULE-9293787711 [0,0,0,0,0,0|2,0,2]=4 25 B12R0.234 CCCCCCCCOCC(=O)O MCULE-8710960938 [0,0,0,0,0,0|1,0,1]=2 26 B12R0.234 CCCCCCCCOCC(C)O MCULE-7262368590 [0,0,0,0,0,0|2,0,2]=4 27 B12R0.234 CCCCCCCCSCC(=O)N MCULE-3095528852 [0,0,0,0,0,0|2,0,1]=3 28 B12R0.234 CCCCCCCCSCC(=O)O MCULE-8082253480 [0,0,0,0,0,0|1,0,1]=2 29 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-1736831432 [0,0,0,0,0,0|1,0,1]=2 30 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-8284012398 [0,0,0,0,0,0|1,0,1]=2 31 B12R0.234 CCCCCCCNCCC(=O)N MCULE-9973742738 [0,0,0,0,0,0|2,0,2]=4 32 B12R0.234 CCOCCCCCCCC(=O)O MCULE-4393917993 [0,0,0,0,0,0|1,0,2]=3 33 B12R0.234 N#CCCCCCCCCC(=O)O MCULE-1219422242 [0,0,0,0,0,0|1,0,3]=4 34 B12R0.234 NCCCCCCCCCC(=O)O MCULE-1324986945 [0,0,0,0,0,0|1,0,2]=3 35 B12R0.234 O=C(O)/C=C/CCCCCCCO MCULE-7936793574 [0,0,0,0,0,0|1,0,0]=1 36 B12R0.234 O=C(O)C=CCCCCCCCO MCULE-6067845776 [0,0,0,0,0,0|1,0,0]=1 37 B12R0.234 O=C(O)CCCCCCCCCBr MCULE-5728710095 [0,0,0,0,0,0|1,0,2]=3 38 B12R0.234 O=C(O)CCCCCCCCCF MCULE-1907577974 [0,0,0,0,0,0|1,0,2]=3 39 B12R0.234 O=C(O)CCCCCCCCCO MCULE-3771681317 [0,0,0,0,0,0|1,0,2]=3 40 B11R0.3 C=CCCCCCCCCCC MCULE-4843306057 [1,0,0,0,0,0|1,0,2]=4 41 B11R0.3 C=CCOCCCCCCCC MCULE-6446691340 [1,0,0,0,0,0|2,0,1]=4 42 B11R0.3 CCCCCC/C=C/C=C/C=O MCULE-7651195452 [1,0,0,0,0,0|0,0,2]=3 43 B11R0.3 CCCCCC/C=C/C=C/CO MCULE-8951938021 [1,0,0,0,0,0|0,0,3]=4 44 B11R0.3 CCCCCCC=CC=CC=O MCULE-3891394680 [1,0,0,0,0,0|0,0,2]=3 45 B11R0.3 CCCCCCC=CC=CCO MCULE-5798292331 [1,0,0,0,0,0|0,0,3]=4 46 B11R0.3 CCCCCCCCC=CC=O MCULE-3569381965 [1,0,0,0,0,0|0,0,0]=1 47 B11R0.3 CCCCCCCCC=CCO MCULE-3768375215 [1,0,0,0,0,0|0,0,1]=2 48 B11R0.3 CCCCCCCCCCC=O MCULE-2842613213 [1,0,0,0,0,0|0,0,2]=3 49 B11R0.3 CCCCCCCCCCCO MCULE-9897986150 [1,0,0,0,0,0|0,0,3]=4 50 B11R0.3 CCCCCCCCCOC=O MCULE-1616501735 [1,0,0,0,0,0|1,0,1]=3 51 B11R0.3 CCCCCCCCNCCO MCULE-7874582103 [1,0,0,0,0,0|1,0,2]=4 52 B11R0.3 CCCCCCCCOCCO MCULE-9752110999 [1,0,0,0,0,0|1,0,2]=4 53 B11R0.3 CCCCCCCCSCCO MCULE-6587527936 [1,0,0,0,0,0|1,0,2]=4 54 B11R0.3 COCCCCCCCCC=O MCULE-4530790122 [1,0,0,0,0,0|1,0,2]=4 55 B11R0.3 O=CCCCCCCCCCBr MCULE-3317881097 [1,0,0,0,0,0|1,0,2]=4 56 B11R0.148 C#CCCCCCC=CC(=O)O MCULE-2997617474 [1,0,0,0,0,0|0,0,2]=3 57 B11R0.148 C#CCCCCCCCC(=O)O MCULE-1292545040 [1,0,0,0,0,0|0,0,3]=4 58 B11R0.148 C=C(Br)CCCCCCCCC MCULE-3332268450 [1,0,0,0,0,0|2,0,1]=4 59 B11R0.148 C=C(C)CCCCCCCCC MCULE-1709497926 [1,0,0,0,0,0|2,0,1]=4 60 B11R0.148 C=C(Cl)CCCCCCCCC MCULE-9304719526 [1,0,0,0,0,0|2,0,1]=4 61 B11R0.148 C=CCCCCCCCC(=O)O MCULE-3892173219 [1,0,0,0,0,0|0,0,3]=4 62 B11R0.148 CC(=O)CCCCCCCCBr MCULE-8502798206 [1,0,0,0,0,0|2,0,1]=4 63 B11R0.148 CCCCC/C=C/CCC(=O)O MCULE-1356880290 [1,0,0,0,0,0|0,0,3]=4 64 B11R0.148 CCCCCC/C=C/CC(=O)O MCULE-1834860815 [1,0,0,0,0,0|0,0,2]=3 65 B11R0.148 CCCCCC=CCCC(=O)O MCULE-1637451620 [1,0,0,0,0,0|0,0,3]=4 66 B11R0.148 CCCCCCC/C=C/B(O)O MCULE-2344159611 [1,0,0,0,0,0|1,0,1]=3 67 B11R0.148 CCCCCCC/C=C/C(=O)O MCULE-3189731619 [1,0,0,0,0,0|0,0,0]=1 68 B11R0.148 CCCCCCC/C=C\C(=O)O MCULE-5508964733 [1,0,0,0,0,0|0,0,0]=1 69 B11R0.148 CCCCCCC=CCC(=O)O MCULE-5816262119 [1,0,0,0,0,0|0,0,2]=3 70 B11R0.148 CCCCCCCC=CB(O)O MCULE-8165065119 [1,0,0,0,0,0|1,0,1]=3 71 B11R0.148 CCCCCCCC=CC(=O)O MCULE-9648702049 [1,0,0,0,0,0|0,0,0]=1 72 B11R0.148 CCCCCCCCCC(=N)N MCULE-6113298447 [1,0,0,0,0,0|2,0,1]=4 73 B11R0.148 CCCCCCCCCC(=N)N MCULE-7599360964 [1,0,0,0,0,0|2,0,1]=4 74 B11R0.148 CCCCCCCCCC(=O)C MCULE-6858373499 [1,0,0,0,0,0|1,0,1]=3 75 B11R0.148 CCCCCCCCCC(=O)Cl MCULE-4226412977 [1,0,0,0,0,0|1,0,1]=3 76 B11R0.148 CCCCCCCCCC(=O)F MCULE-1839398331 [1,0,0,0,0,0|1,0,1]=3 77 B11R0.148 CCCCCCCCCC(=O)N MCULE-1159230758 [1,0,0,0,0,0|1,0,1]=3 78 B11R0.148 CCCCCCCCCC(=O)O MCULE-3914949169 [1,0,0,0,0,0|0,0,1]=2 79 B11R0.148 CCCCCCCCCC(=O)O MCULE-7204730113 [1,0,0,0,0,0|0,0,1]=2 80 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-2720595773 [1,0,0,0,0,0|0,0,2]=3 81 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-7398604282 [1,0,0,0,0,0|0,0,2]=3 82 B11R0.148 CCCCCCCCCC(C)O MCULE-8628471202 [1,0,0,0,0,0|1,0,2]=4 83 B11R0.148 CCCCCCCCCN(=O)=O MCULE-5909474153 [1,0,0,0,0,0|1,0,2]=4 84 B11R0.148 CCCCCCCCN=C(N)N MCULE-8281267777 [1,0,0,0,0,0|3,0,0]=4 85 B11R0.148 CCCCCCCCN=C(N)N MCULE-9658902055 [1,0,0,0,0,0|3,0,0]=4 86 B11R0.148 CCCCCCCCNC(=O)N MCULE-1005292011 [1,0,0,0,0,0|2,0,0]=3 87 B11R0.148 CCCCCCCCNC(=S)N MCULE-3981792857 [1,0,0,0,0,0|2,1,0]=4 88 B11R0.148 CCCCCCCCOC(=O)C MCULE-8590238161 [1,0,0,0,0,0|2,0,0]=3 89 B11R0.148 CCCCCCCCOC(=O)Cl MCULE-2623966790 [1,0,0,0,0,0|2,0,0]=3 90 B11R0.148 CCCCCCCCOC(=S)[S-] MCULE-4226166972 [1,0,0,0,0,0|1,2,0]=4 91 B11R0.148 CCCCCCCCOC(=S)[S-] MCULE-7459596444 [1,0,0,0,0,0|1,2,0]=4 92 B11R0.148 CCCCCCCNCC(=O)O MCULE-2155508761 [1,0,0,0,0,0|1,0,1]=3 93 B11R0.148 CCCCCCCNCC(=O)O MCULE-8805007132 [1,0,0,0,0,0|1,0,1]=3 94 B11R0.148 CCCCCCCSCC(=O)O MCULE-7218313490 [1,0,0,0,0,0|1,0,1]=3 95 B11R0.148 CCCCOCCOCC(=O)O MCULE-3118678736 [1,0,0,0,0,0|2,0,1]=4 96 B11R0.148 CCCCSCCCCC(=O)O MCULE-1665011362 [1,0,0,0,0,0|1,0,1]=3 97 B11R0.148 CCOCCOCCCC(=O)O MCULE-5210306588 [1,0,0,0,0,0|2,0,1]=4 98 B11R0.148 NC(=O)CCCCCCCCCl MCULE-4533445908 [1,0,0,0,0,0|2,0,1]=4 99 B11R0.148 NCCCCCCCCC(=O)O MCULE-9064856591 [1,0,0,0,0,0|1,0,1]=3 100 B11R0.148 O=C(O)CCCCCCCCBr MCULE-2459167157 [1,0,0,0,0,0|1,0,1]=3 101 B11R0.148 O=C(O)CCCCCCCCCl MCULE-9010808862 [1,0,0,0,0,0|1,0,1]=3 102 B11R0.148 O=C(O)CCCCCCCCO MCULE-6121514710 [1,0,0,0,0,0|1,0,1]=3 103 B11R0.148 O=CCCCCCCCC(=O)O MCULE-8345312745 [1,0,0,0,0,0|1,0,2]=4 104 B13R0.1 CCCCCCC(=O)CCCC(=O)O MCULE-4056750992 [0,1,0,0,0,0|0,0,3]=4 105 B13R0.1 CCCCCCC(=O)NN=CC(=O)O MCULE-6039545417 [0,1,0,0,0,0|2,0,1]=4 106 B13R0.1 CCCCCCC(O)CCCC(=O)O MCULE-1012275180 [0,1,0,0,0,0|0,0,2]=3 107 B13R0.54 C#CCCCCCCCCCC(=O)O MCULE-3493346393 [0,1,0,0,0,0|0,0,3]=4 108 B13R0.54 C=CCCCCCCCCCC(=O)O MCULE-6330367894 [0,1,0,0,0,0|0,0,3]=4 109 B13R0.54 CCCCCC/C=C\CCCC(=O)O MCULE-9454929405 [0,1,0,0,0,0|0,0,3]=4 110 B13R0.54 CCCCCCC=CCCCC(=O)O MCULE-1299148519 [0,1,0,0,0,0|0,0,3]=4 111 B13R0.54 CCCCCCCC=CCOC(=O)C MCULE-7547263092 [0,1,0,0,0,0|1,0,2]=4 112 B13R0.54 CCCCCCCCC/C=C/C(=O)O MCULE-8068052432 [0,1,0,0,0,0|0,0,0]=1 113 B13R0.54 CCCCCCCCCC=CC(=O)O MCULE-5397880976 [0,1,0,0,0,0|0,0,0]=1 114 B13R0.54 CCCCCCCCCCCC(=O)C MCULE-9311016763 [0,1,0,0,0,0|1,0,2]=4 115 B13R0.54 CCCCCCCCCCCC(=O)Cl MCULE-9866142193 [0,1,0,0,0,0|1,0,2]=4 116 B13R0.54 CCCCCCCCCCCC(=O)N MCULE-2324074583 [0,1,0,0,0,0|1,0,2]=4 117 B13R0.54 CCCCCCCCCCCC(=O)O MCULE-2795129925 [0,1,0,0,0,0|0,0,2]=3 118 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-4306276668 [0,1,0,0,0,0|0,0,3]=4 119 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-5989799433 [0,1,0,0,0,0|0,0,3]=4 120 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-7873290711 [0,1,0,0,0,0|0,0,3]=4 121 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-8752609733 [0,1,0,0,0,0|0,0,3]=4 122 B13R0.54 CCCCCCCCCCNC(=O)N MCULE-8422314743 [0,1,0,0,0,0|1,0,2]=4 123 B13R0.54 CCCCCCCCCCOC(=O)C MCULE-7452399897 [0,1,0,0,0,0|1,0,2]=4 124 B13R0.54 CCCCCCCCCCOC(=O)Cl MCULE-8601514194 [0,1,0,0,0,0|1,0,2]=4 125 B13R0.54 CCCCCCCCOCCC(=O)O MCULE-1079344518 [0,1,0,0,0,0|0,0,2]=3 126 B13R0.54 CCCCCCCCSCCC(=O)N MCULE-3514095129 [0,1,0,0,0,0|1,0,2]=4 127 B13R0.54 CCCCCCCCSCCC(=O)O MCULE-4405987007 [0,1,0,0,0,0|0,0,2]=3 128 B13R0.54 CCCCCCCCSCCC(=O)[O-] MCULE-2242790491 [0,1,0,0,0,0|0,0,3]=4 129 B13R0.54 CCCCCNCCCCCC(=O)O MCULE-7344928222 [0,1,0,0,0,0|0,0,2]=3 130 B13R0.54 CCCCSCCCCCCC(=O)O MCULE-8131072528 [0,1,0,0,0,0|0,0,2]=3 131 B13R0.54 NC(=O)CCCCCCCCCCBr MCULE-6636357331 [0,1,0,0,0,0|1,0,2]=4 132 B13R0.54 NCCCCCCCCCCC(=O)O MCULE-1751028538 [0,1,0,0,0,0|0,0,2]=3 133 B13R0.54 NCCCCCCCCCCC(=O)[O-] MCULE-8171823933 [0,1,0,0,0,0|0,0,3]=4 134 B13R0.54 O=C(Cl)CCCCCCCCCCBr MCULE-9607447068 [0,1,0,0,0,0|1,0,2]=4 135 B13R0.54 O=C(O)CCCCCCCCCCBr MCULE-9911407009 [0,1,0,0,0,0|0,0,2]=3 136 B13R0.54 O=C(O)CCCCCCCCCCCl MCULE-7412307649 [0,1,0,0,0,0|0,0,2]=3 137 B13R0.54 O=C(O)CCCCCCCCCCO MCULE-8232897652 [0,1,0,0,0,0|0,0,2]=3 138 B13R0.54 O=C(O)CCCCCCCCCCS MCULE-9528951895 [0,1,0,0,0,0|0,0,2]=3 139 B13R0.54 O=C(O)CCCCCCCCCOO MCULE-9572784167 [0,1,0,0,0,0|1,0,2]=4 140 B13R0.88 CCCC(=O)CCCCCCC(=O)O MCULE-7655272143 [0,1,0,0,0,0|0,0,3]=4 141 B13R0.119 CCCCC(=O)CCCCCC(=O)O MCULE-7182880008 [0,1,0,0,0,0|0,0,3]=4 142 B13R0.147 C=CC(=O)OCCCCCCCCC MCULE-7661811427 [0,1,0,0,0,0|2,0,1]=4 143 B13R0.147 CCCCCCC/C=C/CC(=O)CC MCULE-1079348180 [0,1,0,0,0,0|1,0,2]=4 144 B13R0.147 CCCCCCCCC#CC(=O)OC MCULE-6573014150 [0,1,0,0,0,0|0,0,2]=3 145 B13R0.147 CCCCCCCCCCC(=N)NO MCULE-8351830126 [0,1,0,0,0,0|1,0,2]=4 146 B13R0.147 CCCCCCCCCCC(=O)NN MCULE-5566881162 [0,1,0,0,0,0|1,0,2]=4 147 B13R0.147 CCCCCCCCCCC(=O)OC MCULE-4524637821 [0,1,0,0,0,0|0,0,2]=3 148 B13R0.147 CCCCCCCCCNC(=O)CCl MCULE-5058546046 [0,1,0,0,0,0|2,0,1]=4 149 B13R0.147 CCCCCCCNCCC(=O)OC MCULE-4012206227 [0,1,0,0,0,0|1,0,2]=4 150 B13R0.147 COC(=O)CCCCCCCCCBr MCULE-4125973468 [0,1,0,0,0,0|1,0,2]=4 151 B13R0.147 COC(=O)CCCCCCCCCN MCULE-2996113147 [0,1,0,0,0,0|1,0,2]=4 152 B13R0.147 COC(=O)CCCCCCCCCN MCULE-5692626711 [0,1,0,0,0,0|1,0,2]=4 153 B13R0.147 COC(=O)CCCCCCCCCO MCULE-2254055588 [0,1,0,0,0,0|1,0,2]=4 154 B13R0.150 C=C(C)C(=O)OCCCCCCCC MCULE-8155490272 [0,1,0,0,0,0|3,0,0]=4 155 B13R0.150 CCCCCCCCCC(C)C(=O)O MCULE-6924124828 [0,1,0,0,0,0|0,0,2]=3 156 B13R0.150 CCCCCCCCCC(N)C(=O)O MCULE-2123708638 [0,1,0,0,0,0|0,0,2]=3 157 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O MCULE-7136532768 [0,1,0,0,0,0|0,0,2]=3 158 B13R0.150 [C@H](N)(CCCCCCCCC)C(=O)O MCULE-9801560462 [0,1,0,0,0,0|0,0,2]=3 159 B13R0.154 CCCCCCCC(=O)CCC(=O)O MCULE-3369465256 [0,1,0,0,0,0|0,0,3]=4 160 B13R0.154 CCCCCCCC(=O)NCC(=O)O MCULE-7832794516 [0,1,0,0,0,0|1,0,2]=4 161 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] MCULE-5105119706 [0,1,0,0,0,0|0,0,3]=4 162 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] MCULE-6637797878 [0,1,0,0,0,0|0,0,3]=4 163 B13R0.154 CCCCCCNC(=O)C=CC(=O)O MCULE-3827684137 [0,1,0,0,0,0|1,0,1]=3 164 B13R0.179 CC(=O)CCCCCCCCC(=O)O MCULE-3207729356 [0,1,0,0,0,0|0,0,3]=4 165 B13R0.179 CC(C)CCCCCCCCC(=O)O MCULE-3966843726 [0,1,0,0,0,0|0,0,2]=3 166 B13R0.179 CC(N)CCCCCCCCC(=O)O MCULE-2236874517 [0,1,0,0,0,0|0,0,2]=3 167 B13R0.179 O=C(O)/C=C/CCCCCCC(=O)O MCULE-6446076002 [0,1,0,0,0,0|1,0,1]=3 168 B13R0.179 O=C(O)C=CCCCCCCC(=O)O MCULE-3337053306 [0,1,0,0,0,0|1,0,1]=3 169 B13R0.188 CCCCCC(=O)CCCCC(=O)O MCULE-9827668199 [0,1,0,0,0,0|0,0,3]=4 170 B13R0.202 CCC(C)CCCCCCCC(=O)O MCULE-1986520602 [0,1,0,0,0,0|0,0,2]=3 171 B13R0.280 CCCCCCCCCCP(=O)(O)O MCULE-1652235001 [0,1,0,0,0,0|1,0,2]=4 172 B13R0.280 CCCCCCCCCCS(=O)(=O)O MCULE-1242262217 [0,1,0,0,0,0|1,0,2]=4 173 B13R0.335 CC(CCCCCCCN)CC(=O)O MCULE-2748735108 [0,1,0,0,0,0|1,0,2]=4 174 B13R0.335 CC(CCCCCCCN)CC(=O)O MCULE-8926877324 [0,1,0,0,0,0|1,0,2]=4 175 B13R0.335 CCCCCCCCC(C)CC(=O)O MCULE-1071013190 [0,1,0,0,0,0|0,0,2]=3 176 B13R0.335 CCCCCCCCC(O)CC(=O)O MCULE-3464929288 [0,1,0,0,0,0|0,0,2]=3 177 B13R0.335 CCCCCCCOC(=O)CC(=O)C MCULE-3029543829 [0,1,0,0,0,0|2,0,1]=4 178 B13R1.6 CCCCCCC1CCCC(=O)O1 MCULE-7844383556 [0,0,0,1,0,0|0,0,2]=3 179 B13R1.27 CCCCCCCC1CCC(=O)O1 MCULE-9018416843 [0,0,0,1,0,0|0,0,2]=3 180 B13R1.27 CCCCCCCN1C=CC(=N1)N MCULE-1200994119 [0,0,0,1,0,0|3,0,0]=4 181 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 MCULE-5815442718 [0,0,0,1,0,0|0,0,2]=3 182 B13R1.90 CCC1CCCCC1OCC(=O)O MCULE-4174544329 [0,0,0,1,0,0|1,0,1]=3 183 B13R1.90 CCC1CCCCN1CCC(=O)O MCULE-7797119414 [0,0,0,1,0,0|1,0,2]=4 184 B13R1.90 CCC1CCCCN1CCC(=O)O MCULE-8806588553 [0,0,0,1,0,0|1,0,2]=4 185 B13R1.90 COC1CCCCC1NCC(=O)O MCULE-8478049629 [0,0,0,1,0,0|2,0,1]=4 186 B13R1.158 CC1CCCCN1CCCC(=O)O MCULE-2658022342 [0,0,0,1,0,0|1,0,2]=4 187 B13R1.158 CC1CCCCN1CCCC(=O)O MCULE-3288150889 [0,0,0,1,0,0|1,0,2]=4 188 B13R1.158 CN1CCCCC1CNCC(=O)O MCULE-2171668896 [0,0,0,1,0,0|2,0,1]=4 189 B13R1.158 CN1CCCCC1COCC(=O)O MCULE-3673631668 [0,0,0,1,0,0|2,0,1]=4 190 B13R1.279 O=C1CCCCCCCCCCC1 MCULE-8431279332 [0,0,0,1,0,0|1,0,2]=4 191 B13R1.279 O=C1CCCCCCCCCCN1 MCULE-7739147292 [0,0,0,1,0,0|1,0,2]=4 192 B13R1.279 O=C1CCCCCCCCCCO1 MCULE-5646678690 [0,0,0,1,0,0|0,0,2]=3 193 B13R1.337 NC(=O)CNCCC1CCCCC1 MCULE-1811204198 [0,0,0,1,0,0|2,0,1]=4 194 B13R1.337 O=C(O)CCCCC1CCCCC1 MCULE-8624525968 [0,0,0,1,0,0|0,0,2]=3 195 B13R1.337 O=C(O)CCCCC1CCNCC1 MCULE-9807076317 [0,0,0,1,0,0|1,0,2]=4 196 B13R1.337 O=C(O)CCCCN1CCCCC1 MCULE-1700384136 [0,0,0,1,0,0|1,0,2]=4 197 B13R1.337 O=C(O)CCCCN1CCCCC1 MCULE-3436222840 [0,0,0,1,0,0|1,0,2]=4 198 B13R1.337 O=C(O)CCCSC1CCCCC1 MCULE-1908047550 [0,0,0,1,0,0|1,0,2]=4 199 B13R1.337 O=C(O)CCNCC1CCCCC1 MCULE-3522959414 [0,0,0,1,0,0|1,0,2]=4 200 B13R1.337 O=C(O)CCNCC1CCCCC1 MCULE-9583021057 [0,0,0,1,0,0|1,0,2]=4 201 B13R1.337 O=C(O)CCOCC1CCCCC1 MCULE-1183191547 [0,0,0,1,0,0|1,0,2]=4 202 B13R1.337 O=C(O)CCSCC1CCCCC1 MCULE-3460268969 [0,0,0,1,0,0|1,0,2]=4 203 B13R1.380 COCC1CCCCN1CC(=O)O MCULE-9363416940 [0,0,0,1,0,0|2,0,1]=4 204 B13R1.610 CCC1CCCCCC1NC(=O)C MCULE-1382386726 [0,0,0,1,0,0|2,0,1]=4 205 B13R1.1022 O=C(O)CCN1CCCCCCC1 MCULE-3702984614 [0,0,0,1,0,0|1,0,2]=4 206 B13R1.1022 O=C(O)CCN1CCCCCCC1 MCULE-4571415668 [0,0,0,1,0,0|1,0,2]=4 207 B13R1.1988 O=C(O)/C=C/CN1CCCCCC1 MCULE-8860812117 [0,0,0,1,0,0|1,0,0]=2 208 B13R1.1988 O=C(O)CCCN1CCCCCC1 MCULE-5500239831 [0,0,0,1,0,0|1,0,2]=4 209 B13R1.1988 O=C(O)CCCN1CCCCCC1 MCULE-9998662967 [0,0,0,1,0,0|1,0,2]=4 210 B10R0.71 C=CCCCCCCCCBr MCULE-9645873151 [2,0,0,0,0,0|1,0,1]=4 211 B10R0.71 C=CCCCCCCCCC MCULE-8437878932 [2,0,0,0,0,0|0,0,1]=3 212 B10R0.71 C=CCCCCCCCCI MCULE-5534023915 [2,0,0,0,0,0|1,0,1]=4 213 B10R0.71 C=CCCCCCCCCN MCULE-2867070960 [2,0,0,0,0,0|1,0,1]=4 214 B10R0.71 C=CCCCCCCCCN MCULE-6734552056 [2,0,0,0,0,0|1,0,1]=4 215 B10R0.71 C=CCCCCCCCCO MCULE-1808688008 [2,0,0,0,0,0|1,0,1]=4 216 B10R0.71 C=CCCCCSCCCC MCULE-9557499584 [2,0,0,0,0,0|1,0,1]=4 217 B10R0.71 C=COCCCCCCCC MCULE-9207967577 [2,0,0,0,0,0|1,0,0]=3 218 B10R0.71 CCCCC/C=C/C=C/C=O MCULE-8478423084 [2,0,0,0,0,0|0,0,2]=4 219 B10R0.71 CCCCCC=CC=CC=O MCULE-9055179345 [2,0,0,0,0,0|0,0,2]=4 220 B10R0.71 CCCCCCCC=CC=O MCULE-8898697953 [2,0,0,0,0,0|0,0,0]=2 221 B10R0.71 CCCCCCCC=CCO MCULE-3462895858 [2,0,0,0,0,0|0,0,1]=3 222 B10R0.71 CCCCCCCCC#CO MCULE-7543737628 [2,0,0,0,0,0|0,0,2]=4 223 B10R0.71 CCCCCCCCCC=O MCULE-1782320282 [2,0,0,0,0,0|0,0,1]=3 224 B10R0.71 CCCCCCCCCCO MCULE-7579570663 [2,0,0,0,0,0|0,0,2]=4 225 B10R0.71 CCCCCCCCN=C=O MCULE-8555471006 [2,0,0,0,0,0|1,0,1]=4 226 B10R0.71 CCCCCCCCNC=O MCULE-5327203150 [2,0,0,0,0,0|1,0,0]=3 227 B10R0.71 CCCCCCCCOC=O MCULE-6865253802 [2,0,0,0,0,0|1,0,0]=3 228 B10R0.71 O=CCCCCCCCCBr MCULE-7863300341 [2,0,0,0,0,0|1,0,1]=4 229 B10R0.4 C#CCCCCCCC(=O)O MCULE-9844370313 [2,0,0,0,0,0|0,0,2]=4 230 B10R0.4 C(=CC(=O)O)CCCCCC MCULE-5063564829 [2,0,0,0,0,0|0,0,0]=2 231 B10R0.4 C=C(Br)CCCCCCCC MCULE-6632348327 [2,0,0,0,0,0|2,0,0]=4 232 B10R0.4 C=C(C)CCCCCCCC MCULE-2486247417 [2,0,0,0,0,0|2,0,0]=4 233 B10R0.4 C=C(Cl)CCCCCCCC MCULE-5745154351 [2,0,0,0,0,0|2,0,0]=4 234 B10R0.4 C=CCCCCCCC(=O)O MCULE-3663585072 [2,0,0,0,0,0|0,0,2]=4 235 B10R0.4 CC(=O)CCCCCCCO MCULE-6975960500 [2,0,0,0,0,0|2,0,0]=4 236 B10R0.4 CCCCC/C=C/CC(=O)O MCULE-1378284129 [2,0,0,0,0,0|0,0,2]=4 237 B10R0.4 CCCCCC/C=C/B(O)O MCULE-2505509869 [2,0,0,0,0,0|1,0,1]=4 238 B10R0.4 CCCCCC/C=C/C(=O)O MCULE-8167234483 [2,0,0,0,0,0|0,0,0]=2 239 B10R0.4 CCCCCC=CCC(=O)O MCULE-5507503933 [2,0,0,0,0,0|0,0,2]=4 240 B10R0.4 CCCCCCC=CB(O)O MCULE-9573755662 [2,0,0,0,0,0|1,0,1]=4 241 B10R0.4 CCCCCCC=CC(=O)C MCULE-7025674174 [2,0,0,0,0,0|1,0,0]=3 242 B10R0.4 CCCCCCCCB(O)O MCULE-9483383226 [2,0,0,0,0,0|1,0,1]=4 243 B10R0.4 CCCCCCCCC(=N)N MCULE-1846296312 [2,0,0,0,0,0|2,0,0]=4 244 B10R0.4 CCCCCCCCC(=O)C MCULE-6168357226 [2,0,0,0,0,0|1,0,0]=3 245 B10R0.4 CCCCCCCCC(=O)Cl MCULE-7596715750 [2,0,0,0,0,0|1,0,0]=3 246 B10R0.4 CCCCCCCCC(=O)N MCULE-6415702858 [2,0,0,0,0,0|1,0,0]=3 247 B10R0.4 CCCCCCCCC(=O)O MCULE-4736597375 [2,0,0,0,0,0|0,0,0]=2 248 B10R0.4 CCCCCCCCC(=O)[O-] MCULE-1077439841 [2,0,0,0,0,0|0,0,1]=3 249 B10R0.4 CCCCCCCCC(C)O MCULE-3577613701 [2,0,0,0,0,0|1,0,1]=4 250 B10R0.4 CCCCCCCCN(=O)=O MCULE-2507397154 [2,0,0,0,0,0|1,0,1]=4 251 B10R0.4 CCCCCCCC[C@@H](C)O MCULE-6511994487 [2,0,0,0,0,0|1,0,1]=4 252 B10R0.4 CCCCCCCC[C@H](C)O MCULE-7200709868 [2,0,0,0,0,0|1,0,1]=4 253 B10R0.4 CCCCCCCNC(=O)C MCULE-3916780915 [2,0,0,0,0,0|2,0,0]=4 254 B10R0.4 CCCCCCCOC(=O)C MCULE-7061891812 [2,0,0,0,0,0|2,0,0]=4 255 B10R0.4 CCCCCCCOC(=O)Cl MCULE-9018506867 [2,0,0,0,0,0|2,0,0]=4 256 B10R0.4 CCCCCCNCC(=O)O MCULE-3361498309 [2,0,0,0,0,0|1,0,0]=3 257 B10R0.4 CCCCCCOCC(=O)O MCULE-6951993364 [2,0,0,0,0,0|1,0,0]=3 258 B10R0.4 CCCCCCSCC(=O)O MCULE-5086023021 [2,0,0,0,0,0|1,0,0]=3 259 B10R0.4 CCCCSCCCC(=O)O MCULE-5928316679 [2,0,0,0,0,0|1,0,0]=3 260 B10R0.4 CCOCCCCCC(=O)O MCULE-9514442276 [2,0,0,0,0,0|1,0,0]=3 261 B10R0.4 CCOCCOCCC(=O)O MCULE-7483626719 [2,0,0,0,0,0|2,0,0]=4 262 B10R0.4 COCCCOCCC(=O)O MCULE-5178930362 [2,0,0,0,0,0|2,0,0]=4 263 B10R0.4 CSCCCCCCC(=O)O MCULE-9976800222 [2,0,0,0,0,0|1,0,0]=3 264 B10R0.4 NC(=O)CCCCCCCBr MCULE-4427479699 [2,0,0,0,0,0|2,0,0]=4 265 B10R0.4 NCCCCCCCC(=O)O MCULE-2737882810 [2,0,0,0,0,0|1,0,0]=3 266 B10R0.4 NCCCCCCCC(=O)O MCULE-4269382976 [2,0,0,0,0,0|1,0,0]=3 267 B10R0.4 NCCCCCCNC(=O)O MCULE-3865214371 [2,0,0,0,0,0|2,0,0]=4 268 B10R0.4 NCCCNCCCC(=O)O MCULE-2780784491 [2,0,0,0,0,0|2,0,0]=4 269 B10R0.4 NCCCNCCCC(=O)O MCULE-8488597292 [2,0,0,0,0,0|2,0,0]=4 270 B10R0.4 O=C(Cl)CCCCCCCBr MCULE-5775098735 [2,0,0,0,0,0|2,0,0]=4 271 B10R0.4 O=C(O)CCCCCCCBr MCULE-6425557416 [2,0,0,0,0,0|1,0,0]=3 272 B10R0.4 O=C(O)CCCCCCCO MCULE-1839591073 [2,0,0,0,0,0|1,0,0]=3 273 B10R0.4 O=C(O)CCCCCCCS MCULE-6555950664 [2,0,0,0,0,0|1,0,0]=3 274 B10R0.4 O=CCCCCCCC(=O)O MCULE-3146118588 [2,0,0,0,0,0|1,0,1]=4 275 B10R0.4 [C@H](C)(O)CCCCCCCC MCULE-7849954701 [2,0,0,0,0,0|1,0,1]=4 276 B12R0.1 CCCCCCCCC(=O)NCO MCULE-9330858839 [1,1,0,0,0,0|1,0,1]=4 277 B12R0.5 C/C=C/C=C/CCCCCCCO MCULE-8128170987 [1,1,0,0,0,0|1,0,1]=4 278 B12R0.5 CC/C=C\CCCCCCCCO MCULE-3025560116 [1,1,0,0,0,0|1,0,1]=4 279 B12R0.5 CC=CC=CCCCCCCCO MCULE-5968711412 [1,1,0,0,0,0|1,0,1]=4 280 B12R0.5 CCC=CCCCCCCCCO MCULE-1639369196 [1,1,0,0,0,0|1,0,1]=4 281 B12R0.5 CCCCCCC/C=C/C=C/C=O MCULE-2842287177 [1,1,0,0,0,0|0,0,1]=3 282 B12R0.5 CCCCCCC/C=C/C=C/CO MCULE-9041067013 [1,1,0,0,0,0|0,0,1]=3 283 B12R0.5 CCCCCCCC=CC=CC=O MCULE-2297529084 [1,1,0,0,0,0|0,0,1]=3 284 B12R0.5 CCCCCCCC=CC=CCO MCULE-1058062663 [1,1,0,0,0,0|0,0,1]=3 285 B12R0.5 CCCCCCCCC/C=C/C=O MCULE-3924650225 [1,1,0,0,0,0|0,0,0]=2 286 B12R0.5 CCCCCCCCC/C=C/CO MCULE-8437286382 [1,1,0,0,0,0|0,0,1]=3 287 B12R0.5 CCCCCCCCC=CCCO MCULE-1965044026 [1,1,0,0,0,0|0,0,1]=3 288 B12R0.5 CCCCCCCCCC/C=C/I MCULE-7924200766 [1,1,0,0,0,0|1,0,1]=4 289 B12R0.5 CCCCCCCCCC=CC=O MCULE-6984246846 [1,1,0,0,0,0|0,0,0]=2 290 B12R0.5 CCCCCCCCCC=CCO MCULE-9263380318 [1,1,0,0,0,0|0,0,1]=3 291 B12R0.5 CCCCCCCCCCCC=O MCULE-3814557174 [1,1,0,0,0,0|0,0,2]=4 292 B12R0.5 CCCCCCCCCCNC=O MCULE-2199641461 [1,1,0,0,0,0|0,0,2]=4 293 B12R0.5 CCCCCCCOCCCC=O MCULE-7580382219 [1,1,0,0,0,0|0,0,2]=4 294 B12R0.5 O=CCCCCCCCCCCBr MCULE-8057974781 [1,1,0,0,0,0|0,0,2]=4 295 B12R0.248 C=CC(=O)NCCCCCCCC MCULE-9686941876 [1,1,0,0,0,0|2,0,0]=4 296 B12R0.248 C=CC(=O)OCCCCCCCC MCULE-8708207271 [1,1,0,0,0,0|2,0,0]=4 297 B12R0.248 CCCCCCCCC/C(=N\O)/N MCULE-5582103663 [1,1,0,0,0,0|1,0,1]=4 298 B12R0.248 CCCCCCCCCC(=O)NO MCULE-3922115888 [1,1,0,0,0,0|1,0,1]=4 299 B12R0.248 CCCCCCCCCC(C)C=O MCULE-7485962352 [1,1,0,0,0,0|0,0,2]=4 300 B12R0.4 CCCCCCCC(C)CC(=O)O MCULE-8785424338 [1,1,0,0,0,0|0,0,1]=3 301 B12R0.4 CCCCCCCC(C)OC(=O)C MCULE-5744025046 [1,1,0,0,0,0|2,0,0]=4 302 B12R0.4 CCCCCCCC(N)CC(=O)O MCULE-6703111524 [1,1,0,0,0,0|0,0,1]=3 303 B12R0.4 CCCCCCCC(N)CC(=O)O MCULE-7291666407 [1,1,0,0,0,0|0,0,1]=3 304 B12R0.4 CCCCCCCC(O)CC(=O)O MCULE-4360629497 [1,1,0,0,0,0|0,0,1]=3 305 B12R0.4 CCCCCCC[C@@H](O)CC(=O)O MCULE-9404172021 [1,1,0,0,0,0|0,0,1]=3 306 B12R0.4 CCCCCCC[C@H](O)CC(=O)O MCULE-4030960180 [1,1,0,0,0,0|0,0,1]=3 307 B12R0.95 CCCCC(=O)CCCCC(=O)O MCULE-6207970958 [1,1,0,0,0,0|0,0,2]=4 308 B12R0.119 CCCCCCCCCP(=O)(O)O MCULE-4052139199 [1,1,0,0,0,0|1,0,1]=4 309 B12R0.119 CCCCCCCCOP(=O)(O)O MCULE-5203489281 [1,1,0,0,0,0|2,0,0]=4 310 B12R0.184 CCC(=O)CCCCCCC(=O)O MCULE-4717498477 [1,1,0,0,0,0|0,0,2]=4 311 B12R0.184 CCC(C)CCCCCCC(=O)O MCULE-2900681210 [1,1,0,0,0,0|0,0,1]=3 312 B12R0.233 CCCCCC(=O)CCCC(=O)O MCULE-7183792222 [1,1,0,0,0,0|0,0,2]=4 313 B12R0.233 CCCCCC(O)CCCC(=O)O MCULE-2335278488 [1,1,0,0,0,0|0,0,1]=3 314 B12R0.233 CCCCCC(O)CCCC(=O)[O-] MCULE-7035156488 [1,1,0,0,0,0|0,0,2]=4 315 B12R0.251 CCCCCCCCC(=C(F)F)F MCULE-6308736081 [1,1,0,0,0,0|2,0,0]=4 316 B12R0.251 CCCCCCCCC(Br)C(=O)O MCULE-2249695757 [1,1,0,0,0,0|0,0,1]=3 317 B12R0.251 CCCCCCCCC(C)C(=O)O MCULE-5055484783 [1,1,0,0,0,0|0,0,1]=3 318 B12R0.251 CCCCCCCCC(N)C(=O)O MCULE-5147614071 [1,1,0,0,0,0|0,0,1]=3 319 B12R0.251 CCCCCCCCC(O)C(=O)O MCULE-8352063977 [1,1,0,0,0,0|0,0,1]=3 320 B12R0.251 CCCCCCCC[C@@H](C)C(=O)O MCULE-7683022827 [1,1,0,0,0,0|0,0,1]=3 321 B12R0.251 CCCCCCCC[C@@H](N)C(=O)O MCULE-7339170439 [1,1,0,0,0,0|0,0,1]=3 322 B12R0.251 CCCCCCCC[C@H](N)C(=O)O MCULE-4486967061 [1,1,0,0,0,0|0,0,1]=3 323 B12R0.251 CCCCCCCC[C@H](N)C(=O)O MCULE-5097554565 [1,1,0,0,0,0|0,0,1]=3 324 B12R0.251 CCCCCCCC[C@H](O)C(=O)O MCULE-8055488376 [1,1,0,0,0,0|0,0,1]=3 325 B12R0.251 CCCCCCCC[C@H](O)C(=O)O MCULE-9794122537 [1,1,0,0,0,0|0,0,1]=3 326 B12R0.251 CCCCCCCOC(C)C(=O)O MCULE-7189109747 [1,1,0,0,0,0|1,0,1]=4 327 B12R0.251 [C@@H](N)(CCCCCCCC)C(=O)O MCULE-7027186088 [1,1,0,0,0,0|0,0,1]=3 328 B12R0.255 CCCCCCC(=O)CCC(=O)O MCULE-1506437124 [1,1,0,0,0,0|0,0,2]=4 329 B12R0.255 CCCCCCC(O)CCC(=O)O MCULE-5591309975 [1,1,0,0,0,0|0,0,1]=3 330 B12R0.255 CCCCCCC(O)CCC(=O)[O-] MCULE-4395510611 [1,1,0,0,0,0|0,0,2]=4 331 B12R0.268 CC(=O)CCCCCC=CC(=O)O MCULE-5335097568 [1,1,0,0,0,0|0,0,1]=3 332 B12R0.268 CC(=O)CCCCCCCC(=O)O MCULE-5299092348 [1,1,0,0,0,0|0,0,2]=4 333 B12R0.268 CC(C)CCCCCCCC(=O)O MCULE-5820446421 [1,1,0,0,0,0|0,0,1]=3 334 B12R0.268 CC(C)SCCCCCCC(=O)O MCULE-2523005761 [1,1,0,0,0,0|1,0,1]=4 335 B12R0.268 CC(O)CCCCCCCC(=O)O MCULE-2753582455 [1,1,0,0,0,0|0,0,1]=3 336 B12R0.277 CCCC(=O)CCCCCC(=O)O MCULE-2592304646 [1,1,0,0,0,0|0,0,2]=4 337 B12R0.277 CCCC(C)CCCCCC(=O)O MCULE-8094468025 [1,1,0,0,0,0|0,0,1]=3 338 B12R0.277 CCCC(N)CCCCCC(=O)O MCULE-6921348147 [1,1,0,0,0,0|0,0,1]=3 339 B14R0.2 CCCCCCCC(=O)CCCC(=O)O MCULE-7869619246 [0,2,0,0,0,0|0,0,2]=4 340 B14R0.2 CCCCCCCC(O)CCCC(=O)O MCULE-5858594058 [0,2,0,0,0,0|0,0,2]=4 341 B14R0.68 CC(=O)CCCCCCCCCC(=O)O MCULE-2777579719 [0,2,0,0,0,0|0,0,2]=4 342 B14R0.68 CC(C)CCCCCCC/C=C\C(=O)O MCULE-6085372462 [0,2,0,0,0,0|0,0,0]=2 343 B14R0.68 CC(C)CCCCCCCC=CC(=O)O MCULE-2095727186 [0,2,0,0,0,0|0,0,0]=2 344 B14R0.68 CC(C)CCCCCCCCCC(=O)O MCULE-8259958688 [0,2,0,0,0,0|0,0,2]=4 345 B14R0.68 CC(O)CCCCCCCCCC(=O)O MCULE-5368688925 [0,2,0,0,0,0|0,0,2]=4 346 B14R0.153 CCCCC(=O)CCCCCCC(=O)O MCULE-9203558568 [0,2,0,0,0,0|0,0,2]=4 347 B14R0.153 CCCCC(O)CCCCCCC(=O)O MCULE-9749358521 [0,2,0,0,0,0|0,0,2]=4 348 B14R0.231 CCCCCC(=O)CCCCCC(=O)O MCULE-3463709825 [0,2,0,0,0,0|0,0,2]=4 349 B14R0.231 CCCCCC(O)CCCCCC(=O)O MCULE-1531878545 [0,2,0,0,0,0|0,0,2]=4 350 B14R0.305 CCC(=O)CCCCCCCCC(=O)O MCULE-6679639032 [0,2,0,0,0,0|0,0,2]=4 351 B14R0.305 CCC(C)CCCCCCCCC(=O)O MCULE-9730846585 [0,2,0,0,0,0|0,0,2]=4 352 B14R0.305 COC(=O)CCCCCCCCC(C)C MCULE-4071576185 [0,2,0,0,0,0|0,0,2]=4 353 B14R0.305 O=C(O)CCCCCCCCC(O)CO MCULE-9638168645 [0,2,0,0,0,0|0,0,2]=4 354 B14R0.337 CCCCCC=CCCC=CC(=O)OC MCULE-5740536964 [0,2,0,0,0,0|0,0,1]=3 355 B14R0.337 CCCCCCCCCCCC(=O)OC MCULE-5588995078 [0,2,0,0,0,0|0,0,2]=4 356 B14R0.337 CCCCCCCCNCCC(=O)OC MCULE-3052571159 [0,2,0,0,0,0|0,0,2]=4 357 B14R0.337 COC(=O)CCCCCCCCCCBr MCULE-8632429257 [0,2,0,0,0,0|0,0,2]=4 358 B14R0.337 COC(=O)CCCCCCCCCCCl MCULE-4470603458 [0,2,0,0,0,0|0,0,2]=4 359 B14R0.337 COC(=O)CCCCCCCCCCI MCULE-2171087302 [0,2,0,0,0,0|0,0,2]=4 360 B14R0.337 COC(=O)CCCCCCCCCCN MCULE-5833366967 [0,2,0,0,0,0|0,0,2]=4 361 B14R0.337 COC(=O)CCCCCCCCCCN MCULE-9980770025 [0,2,0,0,0,0|0,0,2]=4 362 B14R0.340 CCCCCCCCCCC(Br)C(=O)O MCULE-8612961366 [0,2,0,0,0,0|0,0,2]=4 363 B14R0.340 CCCCCCCCCCC(C)C(=O)O MCULE-9255156956 [0,2,0,0,0,0|0,0,2]=4 364 B14R0.340 CCCCCCCCCCC(Cl)C(=O)O MCULE-6251475162 [0,2,0,0,0,0|0,0,2]=4 365 B14R0.340 CCCCCCCCCCC(N)C(=O)O MCULE-3310366500 [0,2,0,0,0,0|0,0,2]=4 366 B14R0.340 CCCCCCCCCCC(O)C(=O)O MCULE-5171743084 [0,2,0,0,0,0|0,0,2]=4 367 B14R0.340 CCCCCCCCCC[C@@H](N)C(=O)O MCULE-6652767353 [0,2,0,0,0,0|0,0,2]=4 368 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O MCULE-4936998730 [0,2,0,0,0,0|0,0,2]=4 369 B14R0.340 CCCCCCCCCC[C@H](N)C(=O)O MCULE-6114365319 [0,2,0,0,0,0|0,0,2]=4 370 B14R0.344 CCCCCCCCC(=O)CCC(=O)O MCULE-8037408561 [0,2,0,0,0,0|0,0,1]=3 371 B14R0.344 CCCCCCCCC(C)CCC(=O)O MCULE-9191627113 [0,2,0,0,0,0|0,0,2]=4 372 B14R0.344 CCCCCCCCC(O)CCC(=O)O MCULE-6470944503 [0,2,0,0,0,0|0,0,2]=4 373 B14R0.344 CCCCCCCCS(=O)CCC(=O)O MCULE-6503950443 [0,2,0,0,0,0|0,0,2]=4 374 B14R0.344 CCCCCCCNC(=O)CCC(=O)O MCULE-7895735111 [0,2,0,0,0,0|1,0,1]=4 375 B14R0.391 CCCCCCCCCC(C)CC(=O)O MCULE-2198601753 [0,2,0,0,0,0|0,0,2]=4 376 B14R0.391 CCCCCCCCCC(O)CC(=O)O MCULE-8054557225 [0,2,0,0,0,0|0,0,2]=4 377 B14R0.391 CCCCCCCCC[C@@H](O)CC(=O)O MCULE-9862158900 [0,2,0,0,0,0|0,0,2]=4 378 B14R0.391 CCCCCCCCNC(=O)CC(=O)O MCULE-5427245082 [0,2,0,0,0,0|0,0,1]=3 379 B14R0.391 CCCCCCCCOC(=O)CC(=O)C MCULE-8441732366 [0,2,0,0,0,0|1,0,1]=4 380 B14R0.394 C#CCCCCCCCCCCC(=O)O MCULE-5450003719 [0,2,0,0,0,0|0,0,2]=4 381 B14R0.394 C=CCCCCCCCCCCC(=O)O MCULE-9793800000 [0,2,0,0,0,0|0,0,2]=4 382 B14R0.394 CCCCC#CCCCCCCC(=O)O MCULE-8024164485 [0,2,0,0,0,0|0,0,2]=4 383 B14R0.394 CCCCCCCCCCC=CC(=O)O MCULE-4178586146 [0,2,0,0,0,0|0,0,0]=2 384 B14R0.394 CCCCCCCCCCCCC(=O)O MCULE-1430959106 [0,2,0,0,0,0|0,0,2]=4 385 B14R0.394 CCCCCCCCCC[NH2+]CC(=O)O MCULE-1390429058 [0,2,0,0,0,0|0,0,2]=4 386 B14R0.394 CCCCCCCCCC[NH2+]CC(=O)O MCULE-7569072874 [0,2,0,0,0,0|0,0,2]=4 387 B14R0.394 N#CCCCCCCCCCCC(=O)O MCULE-7550910857 [0,2,0,0,0,0|0,0,2]=4 388 B14R0.394 NCCCCCCCCCCCC(=O)O MCULE-4152674665 [0,2,0,0,0,0|0,0,2]=4 389 B14R0.394 O=C(O)CCCCCCCCCCCBr MCULE-7401124485 [0,2,0,0,0,0|0,0,2]=4 390 B14R0.394 O=C(O)CCCCCCCCCCCO MCULE-6776936355 [0,2,0,0,0,0|0,0,2]=4 391 B14R0.394 O=C(O)CCCCCCCCCCCS MCULE-7711860322 [0,2,0,0,0,0|0,0,2]=4 392 B14R0.394 O=C(O)COCCOCCCCCCCl MCULE-1118128476 [0,2,0,0,0,0|1,0,1]=4 393 B14R0.2224 CCCCCCC(O)CCCCC(=O)O MCULE-1514435932 [0,2,0,0,0,0|0,0,2]=4 394 B14R0.82 CCCCCCCCC(O)CC(=O)OC MCULE-6227515416 [0,2,0,0,0,0|0,0,2]=4 395 B14R0.181 CCCCCCCCCC(O)C(=O)OC MCULE-6591992421 [0,2,0,0,0,0|0,0,2]=4 396 B14R0.197 CCC(C)CCCCCCCC(=O)OC MCULE-6741530079 [0,2,0,0,0,0|0,0,2]=4 397 B14R0.393 CCCCCCCCC#CC(=O)OCC MCULE-1422889109 [0,2,0,0,0,0|0,0,2]=4 398 B14R0.393 CCCCCCCCCCC(=O)OCC MCULE-7345568612 [0,2,0,0,0,0|0,0,2]=4 399 B14R0.488 CCCCCCCCCC(CC)C(=O)O MCULE-4832087170 [0,2,0,0,0,0|0,0,2]=4 400 B14R0.2298 CCCCCCCCCC(C)(C)C(=O)O MCULE-7267108275 [0,2,0,0,0,0|0,0,2]=4 401 B14R0.2523 CCCCCCCCS(=O)(=O)CC(=O)O MCULE-1362486401 [0,2,0,0,0,0|1,0,1]=4 402 B12R1.37 CCCCCCCC1=CC=CO1 MCULE-4055197722 [1,0,0,1,0,0|0,0,1]=3 403 B12R1.267 CCCCCC1CCCCC1=O MCULE-3162873716 [1,0,0,1,0,0|0,0,2]=4 404 B12R1.372 CCCCCCC1CCCC1=O MCULE-9980064191 [1,0,0,1,0,0|0,0,2]=4 405 B12R1.372 CCCCCCC1CCOC1=O MCULE-7489729502 [1,0,0,1,0,0|1,0,1]=4 406 B12R1.550 C1=CCCCCCCCCCC1 MCULE-7809911769 [1,0,0,1,0,0|1,0,1]=4 407 B12R1.550 C1=CCCCCCCCCCC1 MCULE-9211992042 [1,0,0,1,0,0|1,0,1]=4 408 B12R1.1410 CCCCCC1OC1C=CC=O MCULE-4436934736 [1,0,0,1,0,0|1,0,0]=3 409 B12R1.1410 CCCCC[C@H]1O[C@@H]1C=CC=O MCULE-6093862797 [1,0,0,1,0,0|1,0,0]=3 410 B12R1.7 CCCCCCC1CCC(=O)O1 MCULE-8274362783 [1,0,0,1,0,0|0,0,1]=3 411 B12R1.7 CCCCOCC1CNC(=O)O1 MCULE-6966705652 [1,0,0,1,0,0|2,0,0]=4 412 B12R1.28 CCCCCC1=CC=CC(=O)O1 MCULE-5618749422 [1,0,0,1,0,0|0,0,2]=4 413 B12R1.28 CCCCCC1CC=CC(=O)O1 MCULE-9666662342 [1,0,0,1,0,0|0,0,0]=2 414 B12R1.28 CCCCCC1CCCC(=O)O1 MCULE-2527242599 [1,0,0,1,0,0|0,0,1]=3 415 B12R1.28 CCCCC[C@@H]1CC=CC(=O)O1 MCULE-1286702458 [1,0,0,1,0,0|0,0,0]=2 416 B12R1.28 CCCCC[C@H]1CC=CC(=O)O1 MCULE-7838361683 [1,0,0,1,0,0|0,0,0]=2 417 B12R1.75 CCC1CCCCN1CC(=O)O MCULE-1466936975 [1,0,0,1,0,0|1,0,1]=4 418 B12R1.75 CCC1CCCCN1CC(=O)O MCULE-4786692834 [1,0,0,1,0,0|1,0,1]=4 419 B12R1.125 CC1CCCCC1OCC(=O)O MCULE-2149192016 [1,0,0,1,0,0|1,0,1]=4 420 B12R1.125 CC1CCCCN1CCC(=O)O MCULE-2264327508 [1,0,0,1,0,0|1,0,1]=4 421 B12R1.125 CC1CCCCN1CCC(=O)O MCULE-6515087928 [1,0,0,1,0,0|1,0,1]=4 422 B12R1.125 CC1CNCCC1CCC(=O)O MCULE-8609285846 [1,0,0,1,0,0|1,0,1]=4 423 B12R1.125 CN1CCCCC1CCC(=O)O MCULE-7324723252 [1,0,0,1,0,0|1,0,1]=4 424 B12R1.125 CN1CCCCC1CCC(=O)O MCULE-8814910063 [1,0,0,1,0,0|1,0,1]=4 425 B12R1.125 NC1CCCCC1CCC(=O)O MCULE-6538296828 [1,0,0,1,0,0|1,0,1]=4 426 B12R1.125 NC1CCCCC1CCC(=O)O MCULE-9802411985 [1,0,0,1,0,0|1,0,1]=4 427 B12R1.212 NC1CCCCCCC1C(=O)O MCULE-2303513219 [1,0,0,1,0,0|1,0,1]=4 428 B12R1.212 NC1CCCCCCC1C(=O)O MCULE-5336927273 [1,0,0,1,0,0|1,0,1]=4 429 B12R1.252 CC(=O)CCCC1CCCCC1 MCULE-5187598883 [1,0,0,1,0,0|1,0,1]=4 430 B12R1.252 CC(=O)SCCC1CCCCC1 MCULE-8635148363 [1,0,0,1,0,0|2,0,0]=4 431 B12R1.252 O=C(Cl)CCCC1CCCCC1 MCULE-6685434994 [1,0,0,1,0,0|1,0,1]=4 432 B12R1.252 O=C(O)/C=C/CN1CCCCC1 MCULE-2574027587 [1,0,0,1,0,0|1,0,0]=3 433 B12R1.252 O=C(O)/C=C/CN1CCCCC1 MCULE-7976173160 [1,0,0,1,0,0|1,0,0]=3 434 B12R1.252 O=C(O)/C=C/CN1CCOCC1 MCULE-7341775027 [1,0,0,1,0,0|2,0,0]=4 435 B12R1.252 O=C(O)/C=C/CN1CCOCC1 MCULE-8937175290 [1,0,0,1,0,0|2,0,0]=4 436 B12R1.252 O=C(O)C=CCN1CCCCC1 MCULE-2313554291 [1,0,0,1,0,0|1,0,0]=3 437 B12R1.252 O=C(O)C=CCN1CCCCC1 MCULE-5619896364 [1,0,0,1,0,0|1,0,0]=3 438 B12R1.252 O=C(O)C=CCN1CCOCC1 MCULE-4167946514 [1,0,0,1,0,0|2,0,0]=4 439 B12R1.252 O=C(O)C=CCN1CCOCC1 MCULE-4570784978 [1,0,0,1,0,0|2,0,0]=4 440 B12R1.252 O=C(O)CCCC1CCCCC1 MCULE-8249292238 [1,0,0,1,0,0|0,0,1]=3 441 B12R1.252 O=C(O)CCCC1CCCCN1 MCULE-6744436702 [1,0,0,1,0,0|1,0,1]=4 442 B12R1.252 O=C(O)CCCC1CCCCN1 MCULE-6927833795 [1,0,0,1,0,0|1,0,1]=4 443 B12R1.252 O=C(O)CCCC1CCNCC1 MCULE-1999021566 [1,0,0,1,0,0|1,0,1]=4 444 B12R1.252 O=C(O)CCCC1CCNCC1 MCULE-5061937452 [1,0,0,1,0,0|1,0,1]=4 445 B12R1.252 O=C(O)CCCC1CCOCC1 MCULE-3067113283 [1,0,0,1,0,0|1,0,1]=4 446 B12R1.252 O=C(O)CCCN1CCCCC1 MCULE-2691750895 [1,0,0,1,0,0|1,0,1]=4 447 B12R1.252 O=C(O)CCCN1CCCCC1 MCULE-7693123644 [1,0,0,1,0,0|1,0,1]=4 448 B12R1.252 O=C(O)CCNC1CCCCC1 MCULE-9246786190 [1,0,0,1,0,0|1,0,1]=4 449 B12R1.252 O=C(O)CNCC1CCCCC1 MCULE-8613545922 [1,0,0,1,0,0|1,0,1]=4 450 B12R1.252 O=C(O)CNCC1CCCCC1 MCULE-8778334854 [1,0,0,1,0,0|1,0,1]=4 451 B12R1.252 O=C([O-])CCCC1CCCCC1 MCULE-8598802518 [1,0,0,1,0,0|0,0,2]=4 452 B12R1.255 O=C(O)CCCCN1CCCC1 MCULE-4626905282 [1,0,0,1,0,0|1,0,1]=4 453 B12R1.255 O=C(O)CCCCN1CCCC1 MCULE-9805744856 [1,0,0,1,0,0|1,0,1]=4 454 B12R1.283 CCCN1CCCCC1C(=O)O MCULE-1283308328 [1,0,0,1,0,0|1,0,1]=4 455 B12R1.283 CCCN1CCCCC1C(=O)O MCULE-5666620583 [1,0,0,1,0,0|1,0,1]=4 456 B12R1.405 CCN1CCCCCC1C(=O)O MCULE-2326419949 [1,0,0,1,0,0|1,0,1]=4 457 B12R1.1343 CC(=O)C=CN1CCCCCC1 MCULE-1379549021 [1,0,0,1,0,0|2,0,0]=4 458 B12R1.1343 CC(=O)CCC1CCCCCC1 MCULE-1678869086 [1,0,0,1,0,0|1,0,1]=4 459 B12R1.1343 O=C(O)CCC1CCCCCC1 MCULE-3221739644 [1,0,0,1,0,0|0,0,1]=3 460 B12R1.1343 O=C(O)CCN1CCCCCC1 MCULE-6902441701 [1,0,0,1,0,0|1,0,1]=4 461 B12R1.1343 O=C(O)CCN1CCCCCC1 MCULE-8652213601 [1,0,0,1,0,0|1,0,1]=4 462 B12R1.1343 O=C(O)CNC1CCCCCC1 MCULE-3407473628 [1,0,0,1,0,0|1,0,1]=4 463 B12R1.1343 O=C(O)COC1CCCCCC1 MCULE-7705697205 [1,0,0,1,0,0|1,0,1]=4 464 B12R1.1392 CC(=O)OC1CCCCCCC1 MCULE-6350829843 [1,0,0,1,0,0|2,0,0]=4 465 B12R1.1392 NC(=O)NC1CCCCCCC1 MCULE-8088379075 [1,0,0,1,0,0|2,0,0]=4 466 B12R1.1392 O=C(O)CN1CCCCCCC1 MCULE-5706680135 [1,0,0,1,0,0|1,0,1]=4 467 B14R1.220 CCCCCCC1=CC=C(S1)C(=O)O MCULE-6281284098 [0,1,0,1,0,0|0,0,2]=4 468 B14R1.6738 CCCC1OCC(C1/C=C\C(=O)O)O MCULE-9167700262 [0,1,0,1,0,0|1,0,0]=3 469 B14R1.26 CCCCCCCC1CCCC(=O)O1 MCULE-4837230476 [0,1,0,1,0,0|0,0,2]=4 470 B14R1.122 CCCCCCCCC1=CC=C(S1)Br MCULE-3210642209 [0,1,0,1,0,0|1,1,0]=4 471 B14R1.122 CCCCCCCCC1C=CC(=O)O1 MCULE-5943669264 [0,1,0,1,0,0|0,0,0]=2 472 B14R1.122 CCCCCCCCC1CCC(=O)O1 MCULE-7923543295 [0,1,0,1,0,0|0,0,2]=4 473 B14R1.122 CCCCCCCCN1C=CC(=N1)N MCULE-3254687728 [0,1,0,1,0,0|2,0,0]=4 474 B14R1.122 CCCCCCCC[C@H]1CCC(=O)O1 MCULE-9283902739 [0,1,0,1,0,0|0,0,2]=4 475 B14R1.122 CCCCCCNCC1=CC=C(O1)C MCULE-6760236095 [0,1,0,1,0,0|1,0,1]=4 476 B14R1.159 CC1CCCCN1CCCCC(=O)O MCULE-6634961753 [0,1,0,1,0,0|0,0,2]=4 477 B14R1.159 CC1CCCCN1CCCCC(=O)O MCULE-7902887603 [0,1,0,1,0,0|0,0,2]=4 478 B14R1.422 NC(=O)NN=CCCC1CCCCC1 MCULE-8515092524 [0,1,0,1,0,0|2,0,0]=4 479 B14R1.422 O=C(O)CCCCCC1CCCCC1 MCULE-7467581189 [0,1,0,1,0,0|0,0,2]=4 480 B14R1.422 O=C(O)CCCCCN1CCCCC1 MCULE-8688134792 [0,1,0,1,0,0|0,0,2]=4 481 B14R1.4408 O=C1CCCCCCCCCCCO1 MCULE-9380541113 [0,1,0,1,0,0|0,0,2]=4 482 B14R1.4728 CCCCCCCCC1CC1C(=O)O MCULE-6572964179 [0,1,0,1,0,0|0,0,2]=4 483 B14R1.6388 O=C(O)CCCCCCCCC1CC1 MCULE-4957612029 [0,1,0,1,0,0|0,0,2]=4 484 B14R1.128 CC(C)CCCCCC1C=CC(=O)O1 MCULE-7180372148 [0,1,0,1,0,0|0,0,0]=2 485 B14R1.14 CCCCCCCC1=CC=C(C=C1)O MCULE-1814167078 [0,1,0,1,0,0|1,0,1]=4 486 B14R1.6426 NC1(CCCCCCCCC1)C(=O)O MCULE-3848434932 [0,1,0,1,0,0|0,0,2]=4 487 B14R1.10072 NC(CC1CCCCCCC1)C(=O)O MCULE-2199095735 [0,1,0,1,0,0|0,0,2]=4 488 B14R1.10072 NC(CC1CCCCCCC1)C(=O)O MCULE-6725119181 [0,1,0,1,0,0|0,0,2]=4 489 B14R1.10072 N[C@@H](CC1CCCCCCC1)C(=O)O MCULE-7565782229 [0,1,0,1,0,0|0,0,2]=4 490 B14R1.10072 N[C@@H](CC1CCCCCCC1)C(=O)O MCULE-8225181344 [0,1,0,1,0,0|0,0,2]=4 491 B14R1.423 O=C(O)/C=C/C(=O)NC1CCCCC1 MCULE-1418941512 [0,1,0,1,0,0|1,0,1]=4 492 B14R1.423 O=C(O)C=CC(=O)NC1CCCCC1 MCULE-7753794014 [0,1,0,1,0,0|1,0,1]=4 493 B14R1.423 O=C(O)C=CC(=O)OC1CCCCC1 MCULE-7992424489 [0,1,0,1,0,0|1,0,1]=4 494 B14R1.10371 O=C(O)C=CC(=O)N1CCCCCC1 MCULE-7135335982 [0,1,0,1,0,0|1,0,1]=4 495 B14R1.443 CCCCCCC1CC(=O)N=C(N1)O MCULE-3616070180 [0,1,0,1,0,0|2,0,0]=4 496 B14R1.443 CCCCCCC1CC(=O)OC(=O)C1 MCULE-6242945570 [0,1,0,1,0,0|2,0,0]=4 497 B14R1.13044 NC(CC(=O)O)C1CCCCCCC1 MCULE-9308988929 [0,1,0,1,0,0|0,0,2]=4 498 B14R2.781 O=C(O)C1CC2CCCCC2CN1 MCULE-1360640855 [0,0,0,2,0,0|1,0,1]=4 499 B14R2.781 O=C(O)C1CC2CCCCC2CN1 MCULE-9727398608 [0,0,0,2,0,0|1,0,1]=4 500 B14R2.781 O=C(O)C1CCC2CCCCC2C1 MCULE-8769705518 [0,0,0,2,0,0|0,0,2]=4 501 B14R2.781 O=C(O)C1CCC2CCCCC2N1 MCULE-3477027344 [0,0,0,2,0,0|1,0,1]=4 502 B14R2.781 O=C(O)C1CCC2CCCCC2N1 MCULE-6787716601 [0,0,0,2,0,0|1,0,1]=4 503 B14R2.781 O=C(O)[C@@H]1CC2CCCCC2CN1 MCULE-3662294035 [0,0,0,2,0,0|1,0,1]=4 504 B14R2.781 O=C(O)[C@@H]1CC2CCCCC2CN1 MCULE-4185482156 [0,0,0,2,0,0|1,0,1]=4 505 B14R2.781 O=C(O)[C@@H]1CC2CCCCC2CN1 MCULE-5228568022 [0,0,0,2,0,0|1,0,1]=4 506 B14R2.31359 O=C(O)C1CCCC2C1CCCC2 MCULE-2075917209 [0,0,0,2,0,0|0,0,2]=4 507 B14R2.31232 O=C(O)C1=NOC2C1CCCCC2 MCULE-1290315256 [0,0,0,2,0,0|2,0,0]=4