0 B11R0.148 C#CCCCCCC=CC(=O)O MCULE-2997617474 [0,0,0,0,0,0|0,0,4]=4 1 B11R0.148 C#CCCCCCCCC(=O)O MCULE-1292545040 [0,0,0,0,0,0|0,0,2]=2 2 B11R0.148 C#CCOCCOCCC(=O)O MCULE-5101359772 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.148 C=C(Br)CCCCCCCC#N MCULE-9330962697 [0,0,0,0,0,0|3,0,1]=4 4 B11R0.148 C=C(Br)CCCCCCCCC MCULE-3332268450 [0,0,0,0,0,0|2,0,0]=2 5 B11R0.148 C=C(C)CCCCCCCC#N MCULE-9047905081 [0,0,0,0,0,0|3,0,1]=4 6 B11R0.148 C=C(C)CCCCCCCCC MCULE-1709497926 [0,0,0,0,0,0|2,0,0]=2 7 B11R0.148 C=C(Cl)CCCCCCCC#N MCULE-1260885724 [0,0,0,0,0,0|3,0,1]=4 8 B11R0.148 C=C(Cl)CCCCCCCCC MCULE-9304719526 [0,0,0,0,0,0|2,0,0]=2 9 B11R0.148 C=CCCCCCCCC(=C)C MCULE-4065354989 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.148 C=CCCCCCCCC(=O)O MCULE-3892173219 [0,0,0,0,0,0|0,0,2]=2 11 B11R0.148 C=CCCCCCCOC(=O)C MCULE-2561625191 [0,0,0,0,0,0|2,0,2]=4 12 B11R0.148 C=CCCOCCCCC(=O)O MCULE-6026091154 [0,0,0,0,0,0|1,0,2]=3 13 B11R0.148 C=CCOCCCCCC(=O)O MCULE-9227890338 [0,0,0,0,0,0|1,0,2]=3 14 B11R0.148 C=CCOCCOCCC(=O)O MCULE-8239467569 [0,0,0,0,0,0|2,0,2]=4 15 B11R0.148 CC(=O)CCCCCCCCBr MCULE-8502798206 [0,0,0,0,0,0|2,0,0]=2 16 B11R0.148 CC(=O)OCCCCCCC=O MCULE-8513857573 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.148 CC(C)CCCCCCCCO MCULE-9926933955 [0,0,0,0,0,0|3,0,1]=4 18 B11R0.148 CC(O)CCCCCCCCO MCULE-6820244164 [0,0,0,0,0,0|2,0,1]=3 19 B11R0.148 CCC=CCC=CCCC(=O)O MCULE-4088771773 [0,0,0,0,0,0|0,0,4]=4 20 B11R0.148 CCCC/C=C\CCOC(=O)C MCULE-5044870920 [0,0,0,0,0,0|2,0,2]=4 21 B11R0.148 CCCCC/C=C/CCC(=O)O MCULE-1356880290 [0,0,0,0,0,0|0,0,2]=2 22 B11R0.148 CCCCC=CCCOC(=O)C MCULE-8921990055 [0,0,0,0,0,0|2,0,2]=4 23 B11R0.148 CCCCCC/C=C/CC(=O)O MCULE-1834860815 [0,0,0,0,0,0|0,0,2]=2 24 B11R0.148 CCCCCC=CCCC(=O)O MCULE-1637451620 [0,0,0,0,0,0|0,0,2]=2 25 B11R0.148 CCCCCCC/C=C/B(O)O MCULE-2344159611 [0,0,0,0,0,0|1,0,3]=4 26 B11R0.148 CCCCCCC/C=C/C(=O)O MCULE-3189731619 [0,0,0,0,0,0|0,0,2]=2 27 B11R0.148 CCCCCCC/C=C\C(=O)O MCULE-5508964733 [0,0,0,0,0,0|0,0,2]=2 28 B11R0.148 CCCCCCC=CCC(=O)O MCULE-5816262119 [0,0,0,0,0,0|0,0,2]=2 29 B11R0.148 CCCCCCCC=CB(O)O MCULE-8165065119 [0,0,0,0,0,0|1,0,3]=4 30 B11R0.148 CCCCCCCC=CC(=O)O MCULE-9648702049 [0,0,0,0,0,0|0,0,2]=2 31 B11R0.148 CCCCCCCCCC(=N)N MCULE-6113298447 [0,0,0,0,0,0|2,0,0]=2 32 B11R0.148 CCCCCCCCCC(=N)N MCULE-7599360964 [0,0,0,0,0,0|2,0,0]=2 33 B11R0.148 CCCCCCCCCC(=O)C MCULE-6858373499 [0,0,0,0,0,0|1,0,0]=1 34 B11R0.148 CCCCCCCCCC(=O)Cl MCULE-4226412977 [0,0,0,0,0,0|1,0,0]=1 35 B11R0.148 CCCCCCCCCC(=O)F MCULE-1839398331 [0,0,0,0,0,0|1,0,0]=1 36 B11R0.148 CCCCCCCCCC(=O)N MCULE-1159230758 [0,0,0,0,0,0|1,0,0]=1 37 B11R0.148 CCCCCCCCCC(=O)O MCULE-3914949169 [0,0,0,0,0,0|0,0,0]=0 38 B11R0.148 CCCCCCCCCC(=O)O MCULE-7204730113 [0,0,0,0,0,0|0,0,0]=0 39 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-2720595773 [0,0,0,0,0,0|0,0,1]=1 40 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-7398604282 [0,0,0,0,0,0|0,0,1]=1 41 B11R0.148 CCCCCCCCCC(C)C MCULE-1079534714 [0,0,0,0,0,0|2,0,1]=3 42 B11R0.148 CCCCCCCCCC(C)N MCULE-8277808063 [0,0,0,0,0,0|2,0,1]=3 43 B11R0.148 CCCCCCCCCC(C)O MCULE-8628471202 [0,0,0,0,0,0|1,0,1]=2 44 B11R0.148 CCCCCCCCCC(S)S MCULE-7049062381 [0,0,0,0,0,0|0,2,1]=3 45 B11R0.148 CCCCCCCCCN(=O)=O MCULE-5909474153 [0,0,0,0,0,0|1,0,1]=2 46 B11R0.148 CCCCCCCCN=C(N)N MCULE-8281267777 [0,0,0,0,0,0|3,0,0]=3 47 B11R0.148 CCCCCCCCN=C(N)N MCULE-9658902055 [0,0,0,0,0,0|3,0,0]=3 48 B11R0.148 CCCCCCCCNC(=O)N MCULE-1005292011 [0,0,0,0,0,0|2,0,0]=2 49 B11R0.148 CCCCCCCCNC(=S)N MCULE-3981792857 [0,0,0,0,0,0|2,1,0]=3 50 B11R0.148 CCCCCCCCOC(=O)C MCULE-8590238161 [0,0,0,0,0,0|2,0,0]=2 51 B11R0.148 CCCCCCCCOC(=O)Cl MCULE-2623966790 [0,0,0,0,0,0|2,0,0]=2 52 B11R0.148 CCCCCCCCOC(=S)[S-] MCULE-4226166972 [0,0,0,0,0,0|1,2,0]=3 53 B11R0.148 CCCCCCCCOC(=S)[S-] MCULE-7459596444 [0,0,0,0,0,0|1,2,0]=3 54 B11R0.148 CCCCCCCNCC(=O)O MCULE-2155508761 [0,0,0,0,0,0|1,0,0]=1 55 B11R0.148 CCCCCCCNCC(=O)O MCULE-8805007132 [0,0,0,0,0,0|1,0,0]=1 56 B11R0.148 CCCCCCCSCC(=O)O MCULE-7218313490 [0,0,0,0,0,0|1,0,0]=1 57 B11R0.148 CCCCOCCOCC(=O)O MCULE-3118678736 [0,0,0,0,0,0|2,0,0]=2 58 B11R0.148 CCCCOCCOCC(C)O MCULE-2011202774 [0,0,0,0,0,0|3,0,1]=4 59 B11R0.148 CCCCSCCCCC(=O)O MCULE-1665011362 [0,0,0,0,0,0|1,0,0]=1 60 B11R0.148 CCOCCOCCCC(=O)O MCULE-5210306588 [0,0,0,0,0,0|2,0,0]=2 61 B11R0.148 CCOCCOCCOC(=O)C MCULE-2995602513 [0,0,0,0,0,0|4,0,0]=4 62 B11R0.148 CN(C)CCCCCCCCN MCULE-6651981566 [0,0,0,0,0,0|4,0,0]=4 63 B11R0.148 CN(C)CCCCCCCCO MCULE-5273481320 [0,0,0,0,0,0|4,0,0]=4 64 B11R0.148 COCCOCCOCC(=O)Cl MCULE-3746882663 [0,0,0,0,0,0|4,0,0]=4 65 B11R0.148 COCCOCCOCC(=O)O MCULE-8142044106 [0,0,0,0,0,0|3,0,0]=3 66 B11R0.148 N#N=NCCCCCCC(=O)O MCULE-5582413457 [0,0,0,0,0,0|3,0,0]=3 67 B11R0.148 N=C(N)NCCCCCCCN MCULE-1860175405 [0,0,0,0,0,0|4,0,0]=4 68 B11R0.148 N=C(N)NCCCCCCCN MCULE-8627758688 [0,0,0,0,0,0|4,0,0]=4 69 B11R0.148 NC(=O)CCCCCCCCCl MCULE-4533445908 [0,0,0,0,0,0|2,0,0]=2 70 B11R0.148 NCCCCCCCCC(=O)O MCULE-9064856591 [0,0,0,0,0,0|1,0,0]=1 71 B11R0.148 NCCOCCOCCC(=O)O MCULE-7286284064 [0,0,0,0,0,0|3,0,0]=3 72 B11R0.148 NCCOCCOCCC(=O)O MCULE-8782232340 [0,0,0,0,0,0|3,0,0]=3 73 B11R0.148 O=C(O)CCCCCCCCBr MCULE-2459167157 [0,0,0,0,0,0|1,0,0]=1 74 B11R0.148 O=C(O)CCCCCCCCCl MCULE-9010808862 [0,0,0,0,0,0|1,0,0]=1 75 B11R0.148 O=C(O)CCCCCCCCO MCULE-6121514710 [0,0,0,0,0,0|1,0,0]=1 76 B11R0.148 O=C(O)CCOCCOCCBr MCULE-3253906029 [0,0,0,0,0,0|3,0,0]=3 77 B11R0.148 O=C(O)CCOCCOCCO MCULE-9797832183 [0,0,0,0,0,0|3,0,0]=3 78 B11R0.148 O=C(O)CCOCCOCCS MCULE-1627429574 [0,0,0,0,0,0|3,0,0]=3 79 B11R0.148 O=CCCCCCCCC(=O)O MCULE-8345312745 [0,0,0,0,0,0|1,0,1]=2 80 B11R0.148 O=N(=O)CCCCCCCCBr MCULE-5806801538 [0,0,0,0,0,0|2,0,1]=3 81 B11R0.148 O=N(=O)CCCCCCCCO MCULE-3641883800 [0,0,0,0,0,0|2,0,1]=3 82 B10R0.4 C#CCCCCCCC(=O)O MCULE-9844370313 [1,0,0,0,0,0|0,0,2]=3 83 B10R0.4 C(=CC(=O)O)CCCCCC MCULE-5063564829 [1,0,0,0,0,0|0,0,2]=3 84 B10R0.4 C=C(Br)CCCCCCCC MCULE-6632348327 [1,0,0,0,0,0|2,0,0]=3 85 B10R0.4 C=C(Br)CCCCCCCCl MCULE-7158264521 [1,0,0,0,0,0|3,0,0]=4 86 B10R0.4 C=C(C)CCCCCCCC MCULE-2486247417 [1,0,0,0,0,0|2,0,0]=3 87 B10R0.4 C=C(C)CCCCCCCCl MCULE-1277821807 [1,0,0,0,0,0|3,0,0]=4 88 B10R0.4 C=C(Cl)CCCCCCCC MCULE-5745154351 [1,0,0,0,0,0|2,0,0]=3 89 B10R0.4 C=C(Cl)CCCCCCCCl MCULE-2676680423 [1,0,0,0,0,0|3,0,0]=4 90 B10R0.4 C=CCCCCCCC(=O)C MCULE-3952725967 [1,0,0,0,0,0|1,0,2]=4 91 B10R0.4 C=CCCCCCCC(=O)O MCULE-3663585072 [1,0,0,0,0,0|0,0,2]=3 92 B10R0.4 CC(=O)CCCCCCCO MCULE-6975960500 [1,0,0,0,0,0|2,0,0]=3 93 B10R0.4 CC(=O)NCCCCCCN MCULE-6988947031 [1,0,0,0,0,0|3,0,0]=4 94 B10R0.4 CC(=O)OCCCCCCBr MCULE-9658847674 [1,0,0,0,0,0|3,0,0]=4 95 B10R0.4 CC(=O)OCCCCCCCl MCULE-2777138332 [1,0,0,0,0,0|3,0,0]=4 96 B10R0.4 CC(=O)SCCCCCCN MCULE-6118060031 [1,0,0,0,0,0|3,0,0]=4 97 B10R0.4 CC(=O)SCCCCCCN MCULE-7116355086 [1,0,0,0,0,0|3,0,0]=4 98 B10R0.4 CCCCC/C=C/CC(=O)O MCULE-1378284129 [1,0,0,0,0,0|0,0,2]=3 99 B10R0.4 CCCCCC/C=C/C(=O)O MCULE-8167234483 [1,0,0,0,0,0|0,0,2]=3 100 B10R0.4 CCCCCC=CCC(=O)O MCULE-5507503933 [1,0,0,0,0,0|0,0,2]=3 101 B10R0.4 CCCCCCC=CC(=O)C MCULE-7025674174 [1,0,0,0,0,0|1,0,2]=4 102 B10R0.4 CCCCCCCCB(O)O MCULE-9483383226 [1,0,0,0,0,0|1,0,1]=3 103 B10R0.4 CCCCCCCCC(=N)N MCULE-1846296312 [1,0,0,0,0,0|2,0,0]=3 104 B10R0.4 CCCCCCCCC(=O)C MCULE-6168357226 [1,0,0,0,0,0|1,0,0]=2 105 B10R0.4 CCCCCCCCC(=O)Cl MCULE-7596715750 [1,0,0,0,0,0|1,0,0]=2 106 B10R0.4 CCCCCCCCC(=O)N MCULE-6415702858 [1,0,0,0,0,0|1,0,0]=2 107 B10R0.4 CCCCCCCCC(=O)O MCULE-4736597375 [1,0,0,0,0,0|0,0,0]=1 108 B10R0.4 CCCCCCCCC(=O)[O-] MCULE-1077439841 [1,0,0,0,0,0|0,0,1]=2 109 B10R0.4 CCCCCCCCC(C)C MCULE-3505579656 [1,0,0,0,0,0|2,0,1]=4 110 B10R0.4 CCCCCCCCC(C)O MCULE-3577613701 [1,0,0,0,0,0|1,0,1]=3 111 B10R0.4 CCCCCCCCN(=O)=O MCULE-2507397154 [1,0,0,0,0,0|1,0,1]=3 112 B10R0.4 CCCCCCCCN(C)C MCULE-2841483956 [1,0,0,0,0,0|3,0,0]=4 113 B10R0.4 CCCCCCCCN(C)C MCULE-8695073136 [1,0,0,0,0,0|3,0,0]=4 114 B10R0.4 CCCCCCCC[C@@H](C)Br MCULE-8624556030 [1,0,0,0,0,0|2,0,1]=4 115 B10R0.4 CCCCCCCC[C@@H](C)O MCULE-6511994487 [1,0,0,0,0,0|1,0,1]=3 116 B10R0.4 CCCCCCCC[C@H](C)O MCULE-7200709868 [1,0,0,0,0,0|1,0,1]=3 117 B10R0.4 CCCCCCCNC(=O)C MCULE-3916780915 [1,0,0,0,0,0|2,0,0]=3 118 B10R0.4 CCCCCCCNC(=S)N MCULE-7534812314 [1,0,0,0,0,0|2,1,0]=4 119 B10R0.4 CCCCCCCOC(=O)C MCULE-7061891812 [1,0,0,0,0,0|2,0,0]=3 120 B10R0.4 CCCCCCCOC(=O)Cl MCULE-9018506867 [1,0,0,0,0,0|2,0,0]=3 121 B10R0.4 CCCCCCCOC(=S)[S-] MCULE-1608327732 [1,0,0,0,0,0|1,2,0]=4 122 B10R0.4 CCCCCCCOC(=S)[S-] MCULE-7650100616 [1,0,0,0,0,0|1,2,0]=4 123 B10R0.4 CCCCCCCSC(=[NH2+])N MCULE-2803933619 [1,0,0,0,0,0|3,0,0]=4 124 B10R0.4 CCCCCCCSC(=[NH2+])N MCULE-5565074928 [1,0,0,0,0,0|3,0,0]=4 125 B10R0.4 CCCCCCNCC(=O)O MCULE-3361498309 [1,0,0,0,0,0|1,0,0]=2 126 B10R0.4 CCCCCCNCC(C)O MCULE-5617215322 [1,0,0,0,0,0|2,0,1]=4 127 B10R0.4 CCCCCCOCC(=O)O MCULE-6951993364 [1,0,0,0,0,0|1,0,0]=2 128 B10R0.4 CCCCCCSCC(=O)O MCULE-5086023021 [1,0,0,0,0,0|1,0,0]=2 129 B10R0.4 CCCCOCCOC(=O)C MCULE-4906127008 [1,0,0,0,0,0|3,0,0]=4 130 B10R0.4 CCCCSCCCC(=O)O MCULE-5928316679 [1,0,0,0,0,0|1,0,0]=2 131 B10R0.4 CCOCCCCCC(=O)O MCULE-9514442276 [1,0,0,0,0,0|1,0,0]=2 132 B10R0.4 CCOCCOCCC(=O)O MCULE-7483626719 [1,0,0,0,0,0|2,0,0]=3 133 B10R0.4 COCCCCCCN(=O)=O MCULE-3117222018 [1,0,0,0,0,0|2,0,1]=4 134 B10R0.4 COCCCNCCC(=O)N MCULE-2468408250 [1,0,0,0,0,0|3,0,0]=4 135 B10R0.4 COCCCOCCC(=O)O MCULE-5178930362 [1,0,0,0,0,0|2,0,0]=3 136 B10R0.4 CSCCCCCCC(=O)O MCULE-9976800222 [1,0,0,0,0,0|1,0,0]=2 137 B10R0.4 N#N=NCCCCCC(=O)O MCULE-1473761098 [1,0,0,0,0,0|3,0,0]=4 138 B10R0.4 NC(=O)CCCCCCCBr MCULE-4427479699 [1,0,0,0,0,0|2,0,0]=3 139 B10R0.4 NCCCCCCCC(=O)O MCULE-2737882810 [1,0,0,0,0,0|1,0,0]=2 140 B10R0.4 NCCCCCCCC(=O)O MCULE-4269382976 [1,0,0,0,0,0|1,0,0]=2 141 B10R0.4 NCCCCCCNC(=O)O MCULE-3865214371 [1,0,0,0,0,0|2,0,0]=3 142 B10R0.4 NCCCNCCCC(=O)O MCULE-2780784491 [1,0,0,0,0,0|2,0,0]=3 143 B10R0.4 NCCCNCCCC(=O)O MCULE-8488597292 [1,0,0,0,0,0|2,0,0]=3 144 B10R0.4 NCCOCCOCC(=O)O MCULE-8111157626 [1,0,0,0,0,0|3,0,0]=4 145 B10R0.4 NCCOCCOCC(=O)O MCULE-9455562840 [1,0,0,0,0,0|3,0,0]=4 146 B10R0.4 O=C(Cl)CCCCCCCBr MCULE-5775098735 [1,0,0,0,0,0|2,0,0]=3 147 B10R0.4 O=C(O)CCCCCCCBr MCULE-6425557416 [1,0,0,0,0,0|1,0,0]=2 148 B10R0.4 O=C(O)CCCCCCCO MCULE-1839591073 [1,0,0,0,0,0|1,0,0]=2 149 B10R0.4 O=C(O)CCCCCCCS MCULE-6555950664 [1,0,0,0,0,0|1,0,0]=2 150 B10R0.4 O=C(O)COCCOCCCl MCULE-2275317201 [1,0,0,0,0,0|3,0,0]=4 151 B10R0.4 O=C(O)COCCOCCO MCULE-1507756107 [1,0,0,0,0,0|3,0,0]=4 152 B10R0.4 O=CCCCCCCC(=O)O MCULE-3146118588 [1,0,0,0,0,0|1,0,1]=3 153 B10R0.4 O=CNCCCCCC(=O)O MCULE-1392572274 [1,0,0,0,0,0|2,0,1]=4 154 B10R0.4 O=N(=O)CCCCCCCO MCULE-6021483764 [1,0,0,0,0,0|2,0,1]=4 155 B10R0.4 [C@H](C)(O)CCCCCCCC MCULE-7849954701 [1,0,0,0,0,0|1,0,1]=3 156 B10R0.71 BrCCCCCCCCCBr MCULE-3406292941 [1,0,0,0,0,0|2,0,1]=4 157 B10R0.71 C#CCCCCCCCCC MCULE-3352869074 [1,0,0,0,0,0|1,0,1]=3 158 B10R0.71 C#CCCCCCCCCO MCULE-1465013673 [1,0,0,0,0,0|0,0,3]=4 159 B10R0.71 C(=CCCCCO)CCCC MCULE-5192933185 [1,0,0,0,0,0|0,0,3]=4 160 B10R0.71 C=CCCCCCCCC#N MCULE-1262733029 [1,0,0,0,0,0|2,0,1]=4 161 B10R0.71 C=CCCCCCCCC=C MCULE-5336376495 [1,0,0,0,0,0|1,0,2]=4 162 B10R0.71 C=CCCCCCCCC=O MCULE-2236196328 [1,0,0,0,0,0|0,0,2]=3 163 B10R0.71 C=CCCCCCCCCBr MCULE-9645873151 [1,0,0,0,0,0|2,0,0]=3 164 B10R0.71 C=CCCCCCCCCC MCULE-8437878932 [1,0,0,0,0,0|1,0,0]=2 165 B10R0.71 C=CCCCCCCCCI MCULE-5534023915 [1,0,0,0,0,0|2,0,0]=3 166 B10R0.71 C=CCCCCCCCCN MCULE-2867070960 [1,0,0,0,0,0|2,0,0]=3 167 B10R0.71 C=CCCCCCCCCN MCULE-6734552056 [1,0,0,0,0,0|2,0,0]=3 168 B10R0.71 C=CCCCCCCCCO MCULE-1808688008 [1,0,0,0,0,0|2,0,0]=3 169 B10R0.71 C=CCCCCSCCCC MCULE-9557499584 [1,0,0,0,0,0|2,0,0]=3 170 B10R0.71 C=CCOCCSCCCC MCULE-5814639814 [1,0,0,0,0,0|3,0,0]=4 171 B10R0.71 C=COCCCCCCCC MCULE-9207967577 [1,0,0,0,0,0|2,0,0]=3 172 B10R0.71 CCCC/C=C/CCCCO MCULE-8537897542 [1,0,0,0,0,0|0,0,3]=4 173 B10R0.71 CCCC/C=C\CCCCO MCULE-8382129018 [1,0,0,0,0,0|0,0,3]=4 174 B10R0.71 CCCCC#CCCCCO MCULE-2516123124 [1,0,0,0,0,0|0,0,3]=4 175 B10R0.71 CCCCC/C=C/CCC=O MCULE-6310350913 [1,0,0,0,0,0|0,0,2]=3 176 B10R0.71 CCCCC/C=C\CCC=O MCULE-2454675705 [1,0,0,0,0,0|0,0,2]=3 177 B10R0.71 CCCCC/C=C\CCCO MCULE-5673742797 [1,0,0,0,0,0|0,0,3]=4 178 B10R0.71 CCCCCC=CCCC=O MCULE-4591548304 [1,0,0,0,0,0|0,0,2]=3 179 B10R0.71 CCCCCC=CCCCO MCULE-4774794120 [1,0,0,0,0,0|0,0,3]=4 180 B10R0.71 CCCCCCC#CCCO MCULE-5377358049 [1,0,0,0,0,0|0,0,3]=4 181 B10R0.71 CCCCCCC=CCCO MCULE-7637000822 [1,0,0,0,0,0|0,0,3]=4 182 B10R0.71 CCCCCCCC#CCO MCULE-4211819006 [1,0,0,0,0,0|0,0,3]=4 183 B10R0.71 CCCCCCCC=CC=O MCULE-8898697953 [1,0,0,0,0,0|0,0,2]=3 184 B10R0.71 CCCCCCCC=CCO MCULE-3462895858 [1,0,0,0,0,0|0,0,3]=4 185 B10R0.71 CCCCCCCCC#CBr MCULE-1192896759 [1,0,0,0,0,0|1,0,2]=4 186 B10R0.71 CCCCCCCCC#CO MCULE-7543737628 [1,0,0,0,0,0|0,0,2]=3 187 B10R0.71 CCCCCCCCCC#N MCULE-1090480870 [1,0,0,0,0,0|1,0,1]=3 188 B10R0.71 CCCCCCCCCC=O MCULE-1782320282 [1,0,0,0,0,0|0,0,0]=1 189 B10R0.71 CCCCCCCCCCBr MCULE-1805531766 [1,0,0,0,0,0|1,0,1]=3 190 B10R0.71 CCCCCCCCCCC MCULE-7319807036 [1,0,0,0,0,0|1,0,1]=3 191 B10R0.71 CCCCCCCCCCCl MCULE-7602190189 [1,0,0,0,0,0|1,0,1]=3 192 B10R0.71 CCCCCCCCCCF MCULE-6490238051 [1,0,0,0,0,0|1,0,1]=3 193 B10R0.71 CCCCCCCCCCI MCULE-6718970716 [1,0,0,0,0,0|1,0,1]=3 194 B10R0.71 CCCCCCCCCCN MCULE-3389198970 [1,0,0,0,0,0|1,0,1]=3 195 B10R0.71 CCCCCCCCCCO MCULE-7579570663 [1,0,0,0,0,0|0,0,1]=2 196 B10R0.71 CCCCCCCCCCS MCULE-5945458624 [1,0,0,0,0,0|0,1,1]=3 197 B10R0.71 CCCCCCCCCNC MCULE-3969866054 [1,0,0,0,0,0|2,0,0]=3 198 B10R0.71 CCCCCCCCCNC MCULE-6631883657 [1,0,0,0,0,0|2,0,0]=3 199 B10R0.71 CCCCCCCCCOC MCULE-3906263885 [1,0,0,0,0,0|2,0,0]=3 200 B10R0.71 CCCCCCCCCON MCULE-2563186433 [1,0,0,0,0,0|2,0,0]=3 201 B10R0.71 CCCCCCCCCSC MCULE-9001057781 [1,0,0,0,0,0|2,0,0]=3 202 B10R0.71 CCCCCCCCN=C=O MCULE-8555471006 [1,0,0,0,0,0|1,0,1]=3 203 B10R0.71 CCCCCCCCN=C=S MCULE-4775323786 [1,0,0,0,0,0|1,1,1]=4 204 B10R0.71 CCCCCCCCN=N#N MCULE-4737472724 [1,0,0,0,0,0|3,0,0]=4 205 B10R0.71 CCCCCCCCNC=O MCULE-5327203150 [1,0,0,0,0,0|1,0,0]=2 206 B10R0.71 CCCCCCCCOC=O MCULE-6865253802 [1,0,0,0,0,0|1,0,0]=2 207 B10R0.71 CCCCCCCCOCC MCULE-7803614357 [1,0,0,0,0,0|2,0,1]=4 208 B10R0.71 CCCCCCCCOCCl MCULE-8103995676 [1,0,0,0,0,0|2,0,1]=4 209 B10R0.71 CCCCCCCOCCCl MCULE-9608529645 [1,0,0,0,0,0|2,0,1]=4 210 B10R0.71 CCCCCCCOCCO MCULE-4391734532 [1,0,0,0,0,0|1,0,1]=3 211 B10R0.71 CCCCCCCOCCS MCULE-8215096371 [1,0,0,0,0,0|1,1,1]=4 212 B10R0.71 CCCCCCCSCCO MCULE-5713036847 [1,0,0,0,0,0|1,0,1]=3 213 B10R0.71 CCCCCCNCCC#N MCULE-2150602581 [1,0,0,0,0,0|2,0,1]=4 214 B10R0.71 CCCCCCNCCCC MCULE-1698769182 [1,0,0,0,0,0|2,0,1]=4 215 B10R0.71 CCCCCCNCCCCl MCULE-2065775862 [1,0,0,0,0,0|2,0,1]=4 216 B10R0.71 CCCCCCNCCCN MCULE-7482733368 [1,0,0,0,0,0|2,0,1]=4 217 B10R0.71 CCCCCC[NH2+]CCCCl MCULE-1476963531 [1,0,0,0,0,0|2,0,1]=4 218 B10R0.71 CCCCCNCCCCC MCULE-6460289904 [1,0,0,0,0,0|2,0,1]=4 219 B10R0.71 CCCCCNCCCCC MCULE-7466612345 [1,0,0,0,0,0|2,0,1]=4 220 B10R0.71 CCCCCNCCCOC MCULE-8182280213 [1,0,0,0,0,0|3,0,0]=4 221 B10R0.71 CCCCCOCCCCC MCULE-2510849143 [1,0,0,0,0,0|2,0,1]=4 222 B10R0.71 CCCCCSCCCCC MCULE-3839664161 [1,0,0,0,0,0|2,0,1]=4 223 B10R0.71 CCCCNCCOCCO MCULE-6722908845 [1,0,0,0,0,0|2,0,1]=4 224 B10R0.71 CCCCOCCOCCO MCULE-9776383171 [1,0,0,0,0,0|2,0,1]=4 225 B10R0.71 CCCCOCCSCCO MCULE-1950831912 [1,0,0,0,0,0|2,0,1]=4 226 B10R0.71 CCCCSCCOCCO MCULE-8485842279 [1,0,0,0,0,0|2,0,1]=4 227 B10R0.71 CCNCCCNCCCO MCULE-4185964299 [1,0,0,0,0,0|2,0,1]=4 228 B10R0.71 COCCCCCCCCO MCULE-1529283698 [1,0,0,0,0,0|1,0,1]=3 229 B10R0.71 ClCCCCCCCCCCl MCULE-3488427873 [1,0,0,0,0,0|2,0,1]=4 230 B10R0.71 NCCCCCCCCCN MCULE-8114252394 [1,0,0,0,0,0|2,0,1]=4 231 B10R0.71 NCCCCCCCCCO MCULE-2359018291 [1,0,0,0,0,0|1,0,1]=3 232 B10R0.71 O=CCCCCCCCCBr MCULE-7863300341 [1,0,0,0,0,0|1,0,0]=2 233 B10R0.71 OCCCCCCCCCBr MCULE-7708976482 [1,0,0,0,0,0|1,0,1]=3 234 B10R0.71 OCCCCCCCCCCl MCULE-4637398536 [1,0,0,0,0,0|1,0,1]=3 235 B10R0.71 OCCCCCCCCCI MCULE-6281256155 [1,0,0,0,0,0|1,0,1]=3 236 B10R0.71 OCCCCCCCCCO MCULE-3258442969 [1,0,0,0,0,0|1,0,1]=3 237 B10R0.71 OCCCCCCCCCS MCULE-3447886598 [1,0,0,0,0,0|1,0,1]=3 238 B10R0.71 OCCCCCCOCCO MCULE-5642986797 [1,0,0,0,0,0|2,0,1]=4 239 B10R0.71 OCCCCNCCCCO MCULE-8546417896 [1,0,0,0,0,0|2,0,1]=4 240 B10R0.71 OCCCCOCCCCO MCULE-7966192236 [1,0,0,0,0,0|2,0,1]=4 241 B10R0.71 OCCOCCCCCCCl MCULE-3240737723 [1,0,0,0,0,0|2,0,1]=4 242 B10R0.71 SCCCCCCCCCS MCULE-1712418590 [1,0,0,0,0,0|1,1,1]=4 243 B10R0.71 [NH2+](CCCC)CCCCCC MCULE-8926764515 [1,0,0,0,0,0|2,0,1]=4 244 B12R0.4 C=C(C)CC(C)CCCCCCC MCULE-8010438575 [0,1,0,0,0,0|2,0,0]=3 245 B12R0.4 CCCCCCCC(C)CC(=O)O MCULE-8785424338 [0,1,0,0,0,0|0,0,0]=1 246 B12R0.4 CCCCCCCC(C)OC(=O)C MCULE-5744025046 [0,1,0,0,0,0|2,0,0]=3 247 B12R0.4 CCCCCCCC(N)CC(=O)O MCULE-6703111524 [0,1,0,0,0,0|0,0,0]=1 248 B12R0.4 CCCCCCCC(N)CC(=O)O MCULE-7291666407 [0,1,0,0,0,0|0,0,0]=1 249 B12R0.4 CCCCCCCC(O)CC(=O)O MCULE-4360629497 [0,1,0,0,0,0|0,0,0]=1 250 B12R0.4 CCCCCCCC(O)CC(C)C MCULE-5733681054 [0,1,0,0,0,0|2,0,1]=4 251 B12R0.4 CCCCCCC[C@@H](O)CC(=O)O MCULE-9404172021 [0,1,0,0,0,0|0,0,0]=1 252 B12R0.4 CCCCCCC[C@H](O)CC(=O)O MCULE-4030960180 [0,1,0,0,0,0|0,0,0]=1 253 B12R0.4 CCCCCCOC(=O)CC(=O)C MCULE-9729311906 [0,1,0,0,0,0|2,0,1]=4 254 B12R0.95 CCCCC(=O)CCCCC(=O)O MCULE-6207970958 [0,1,0,0,0,0|0,0,1]=2 255 B12R0.95 O=C(O)CCCCC(=O)OCCO MCULE-1346681356 [0,1,0,0,0,0|2,0,1]=4 256 B12R0.119 CCCCCCCCCC(C)(C)S MCULE-3176642019 [0,1,0,0,0,0|1,1,1]=4 257 B12R0.119 CCCCCCCCCC(F)(F)F MCULE-3213902129 [0,1,0,0,0,0|2,0,1]=4 258 B12R0.119 CCCCCCCCCP(=O)(O)O MCULE-4052139199 [0,1,0,0,0,0|1,0,0]=2 259 B12R0.119 CCCCCCCCCS(=O)(=O)Cl MCULE-8052966186 [0,1,0,0,0,0|1,0,1]=3 260 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] MCULE-1927567552 [0,1,0,0,0,0|1,0,1]=3 261 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] MCULE-3281419364 [0,1,0,0,0,0|1,0,1]=3 262 B12R0.119 CCCCCCCCC[N+](C)(C)C MCULE-4520557522 [0,1,0,0,0,0|3,0,0]=4 263 B12R0.119 CCCCCCCCC[N+](C)(C)C MCULE-7843133892 [0,1,0,0,0,0|3,0,0]=4 264 B12R0.119 CCCCCCCCOP(=O)(C)C MCULE-5071482809 [0,1,0,0,0,0|3,0,0]=4 265 B12R0.119 CCCCCCCCOP(=O)(Cl)Cl MCULE-2430760129 [0,1,0,0,0,0|3,0,0]=4 266 B12R0.119 CCCCCCCCOP(=O)(O)O MCULE-5203489281 [0,1,0,0,0,0|2,0,0]=3 267 B12R0.119 CCCCCCCCOS(=O)(=O)[O-] MCULE-5107186458 [0,1,0,0,0,0|2,0,1]=4 268 B12R0.119 CCCCCCCCOS(=O)(=O)[O-] MCULE-8859174394 [0,1,0,0,0,0|2,0,1]=4 269 B12R0.184 C=CC(O)CCCCCCC(=O)O MCULE-2198484452 [0,1,0,0,0,0|0,0,2]=3 270 B12R0.184 CCC(=O)CCCCCCC(=O)O MCULE-4717498477 [0,1,0,0,0,0|0,0,1]=2 271 B12R0.184 CCC(C)CCCCCCC(=O)O MCULE-2900681210 [0,1,0,0,0,0|0,0,0]=1 272 B12R0.184 COC(=O)CCCCCCC(=O)Cl MCULE-8021290059 [0,1,0,0,0,0|2,0,1]=4 273 B12R0.184 COC(=O)CCCCCCC(=O)O MCULE-9793115364 [0,1,0,0,0,0|1,0,1]=3 274 B12R0.184 O=C(O)CCCCCCC(=O)NO MCULE-8631395600 [0,1,0,0,0,0|2,0,1]=4 275 B12R0.184 O=C(O)CCCCCNC(=O)CCl MCULE-7503199226 [0,1,0,0,0,0|2,0,1]=4 276 B12R0.233 CCCCCC(=O)CCCC(=O)O MCULE-7183792222 [0,1,0,0,0,0|0,0,1]=2 277 B12R0.233 CCCCCC(=O)NCCC(=O)O MCULE-7265291580 [0,1,0,0,0,0|1,0,1]=3 278 B12R0.233 CCCCCC(O)CCCC(=O)O MCULE-2335278488 [0,1,0,0,0,0|0,0,0]=1 279 B12R0.233 CCCCCC(O)CCCC(=O)[O-] MCULE-7035156488 [0,1,0,0,0,0|0,0,1]=2 280 B12R0.233 CCCCNC(=O)CCCC(=O)O MCULE-9110065966 [0,1,0,0,0,0|1,0,1]=3 281 B12R0.233 CCCCNC(=O)COCC(=O)O MCULE-2161293982 [0,1,0,0,0,0|2,0,1]=4 282 B12R0.233 COCCNC(=O)CCCC(=O)O MCULE-3432547059 [0,1,0,0,0,0|2,0,1]=4 283 B12R0.234 C#CCCCCCCCCC(=O)Cl MCULE-2889527190 [0,1,0,0,0,0|1,0,1]=3 284 B12R0.234 C#CCCCCCCCCC(=O)O MCULE-2483655428 [0,1,0,0,0,0|0,0,1]=2 285 B12R0.234 C=C(Br)CCCCCCCCCC MCULE-6429692740 [0,1,0,0,0,0|2,0,0]=3 286 B12R0.234 C=C(C)CCCCCCCCCC MCULE-5430192671 [0,1,0,0,0,0|2,0,0]=3 287 B12R0.234 C=C(Cl)CCCCCCCCCC MCULE-5277185113 [0,1,0,0,0,0|2,0,0]=3 288 B12R0.234 C=CCCCCCCCCC(=O)C MCULE-8465504630 [0,1,0,0,0,0|1,0,1]=3 289 B12R0.234 C=CCCCCCCCCC(=O)Cl MCULE-1643300518 [0,1,0,0,0,0|1,0,1]=3 290 B12R0.234 C=CCCCCCCCCC(=O)N MCULE-2069893872 [0,1,0,0,0,0|1,0,1]=3 291 B12R0.234 C=CCCCCCCCCC(=O)O MCULE-7928135942 [0,1,0,0,0,0|0,0,1]=2 292 B12R0.234 C=CCCCCCCCCC(=O)[O-] MCULE-4921741648 [0,1,0,0,0,0|0,0,2]=3 293 B12R0.234 C=CCCCCCCCCC(=O)[O-] MCULE-8671525222 [0,1,0,0,0,0|0,0,2]=3 294 B12R0.234 C=CCCCCCCCCN(=O)=O MCULE-9960791760 [0,1,0,0,0,0|1,0,2]=4 295 B12R0.234 C=CCCCCCCCOC(=O)C MCULE-7392620730 [0,1,0,0,0,0|1,0,2]=4 296 B12R0.234 CC#CCCCCCCCC(=O)O MCULE-8975663292 [0,1,0,0,0,0|0,0,1]=2 297 B12R0.234 CC(=O)NCCCCNCCCN MCULE-7493998252 [0,1,0,0,0,0|3,0,0]=4 298 B12R0.234 CC(=O)NCCCCNCCCN MCULE-9577502089 [0,1,0,0,0,0|3,0,0]=4 299 B12R0.234 CC(=O)NCCCNCCCCN MCULE-3303778613 [0,1,0,0,0,0|3,0,0]=4 300 B12R0.234 CC(=O)NCCCNCCCCN MCULE-8365270729 [0,1,0,0,0,0|3,0,0]=4 301 B12R0.234 CC(=O)OCCCCCCCCBr MCULE-4728650316 [0,1,0,0,0,0|2,0,0]=3 302 B12R0.234 CCC=CCCCCCOC(=O)C MCULE-2714811926 [0,1,0,0,0,0|1,0,2]=4 303 B12R0.234 CCCCCCC/C=C/CC(=O)C MCULE-6992455059 [0,1,0,0,0,0|1,0,1]=3 304 B12R0.234 CCCCCCCC/C=C/C(=O)O MCULE-6786701242 [0,1,0,0,0,0|0,0,1]=2 305 B12R0.234 CCCCCCCCC=CC(=O)O MCULE-7750983255 [0,1,0,0,0,0|0,0,1]=2 306 B12R0.234 CCCCCCCCCCB(O)O MCULE-6277841305 [0,1,0,0,0,0|1,0,1]=3 307 B12R0.234 CCCCCCCCCCC(=O)C MCULE-3936750617 [0,1,0,0,0,0|1,0,0]=2 308 B12R0.234 CCCCCCCCCCC(=O)Cl MCULE-1131766423 [0,1,0,0,0,0|1,0,0]=2 309 B12R0.234 CCCCCCCCCCC(=O)N MCULE-7086521203 [0,1,0,0,0,0|1,0,0]=2 310 B12R0.234 CCCCCCCCCCC(=O)O MCULE-5110587542 [0,1,0,0,0,0|0,0,0]=1 311 B12R0.234 CCCCCCCCCCC(C)N MCULE-6206499625 [0,1,0,0,0,0|2,0,1]=4 312 B12R0.234 CCCCCCCCCCC(C)O MCULE-9407036721 [0,1,0,0,0,0|1,0,1]=3 313 B12R0.234 CCCCCCCCCCN(=O)=O MCULE-9525688454 [0,1,0,0,0,0|1,0,1]=3 314 B12R0.234 CCCCCCCCCCN(C)C MCULE-5051937267 [0,1,0,0,0,0|3,0,0]=4 315 B12R0.234 CCCCCCCCCCS(=O)C MCULE-1607212944 [0,1,0,0,0,0|2,0,0]=3 316 B12R0.234 CCCCCCCCCOC(=O)C MCULE-7712513310 [0,1,0,0,0,0|1,0,0]=2 317 B12R0.234 CCCCCCCCCOC(=O)Cl MCULE-4937657236 [0,1,0,0,0,0|1,0,0]=2 318 B12R0.234 CCCCCCCCCOC(=S)[S-] MCULE-1048722427 [0,1,0,0,0,0|0,2,0]=3 319 B12R0.234 CCCCCCCCCOC(=S)[S-] MCULE-2082950273 [0,1,0,0,0,0|0,2,0]=3 320 B12R0.234 CCCCCCCCCSC(=N)N MCULE-2574065227 [0,1,0,0,0,0|2,0,0]=3 321 B12R0.234 CCCCCCCCCSC(=N)N MCULE-7175152082 [0,1,0,0,0,0|2,0,0]=3 322 B12R0.234 CCCCCCCCNCC(C)O MCULE-9293787711 [0,1,0,0,0,0|1,0,1]=3 323 B12R0.234 CCCCCCCCOCC(=O)O MCULE-8710960938 [0,1,0,0,0,0|0,0,0]=1 324 B12R0.234 CCCCCCCCOCC(C)O MCULE-7262368590 [0,1,0,0,0,0|1,0,1]=3 325 B12R0.234 CCCCCCCCSCC(=O)N MCULE-3095528852 [0,1,0,0,0,0|1,0,0]=2 326 B12R0.234 CCCCCCCCSCC(=O)O MCULE-8082253480 [0,1,0,0,0,0|0,0,0]=1 327 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-1736831432 [0,1,0,0,0,0|0,0,0]=1 328 B12R0.234 CCCCCCCC[NH2+]CC(=O)O MCULE-8284012398 [0,1,0,0,0,0|0,0,0]=1 329 B12R0.234 CCCCCCCNCCC(=O)N MCULE-9973742738 [0,1,0,0,0,0|1,0,0]=2 330 B12R0.234 CCOCCCCCCCC(=O)O MCULE-4393917993 [0,1,0,0,0,0|0,0,0]=1 331 B12R0.234 CNCCOCCOCCC(=O)O MCULE-5859151176 [0,1,0,0,0,0|2,0,0]=3 332 B12R0.234 COCCOCCOCCC(=O)Cl MCULE-4397360863 [0,1,0,0,0,0|3,0,0]=4 333 B12R0.234 COCCOCCOCCC(=O)O MCULE-3073877899 [0,1,0,0,0,0|2,0,0]=3 334 B12R0.234 N#CCCCCCCCCC(=O)O MCULE-1219422242 [0,1,0,0,0,0|0,0,1]=2 335 B12R0.234 N#N=NCCCCCCCC(=O)O MCULE-5693417997 [0,1,0,0,0,0|2,0,0]=3 336 B12R0.234 NCCCCCCCCCC(=O)O MCULE-1324986945 [0,1,0,0,0,0|0,0,0]=1 337 B12R0.234 NCCOCCOCCCC(=O)O MCULE-2525701431 [0,1,0,0,0,0|2,0,0]=3 338 B12R0.234 O=C(O)/C=C/CCCCCCCO MCULE-7936793574 [0,1,0,0,0,0|0,0,2]=3 339 B12R0.234 O=C(O)C=CCCCCCCCO MCULE-6067845776 [0,1,0,0,0,0|0,0,2]=3 340 B12R0.234 O=C(O)CCCCCCCCCBr MCULE-5728710095 [0,1,0,0,0,0|0,0,0]=1 341 B12R0.234 O=C(O)CCCCCCCCCF MCULE-1907577974 [0,1,0,0,0,0|0,0,0]=1 342 B12R0.234 O=C(O)CCCCCCCCCO MCULE-3771681317 [0,1,0,0,0,0|0,0,0]=1 343 B12R0.234 O=N(=O)CCCCCCCCCBr MCULE-3636866484 [0,1,0,0,0,0|1,0,1]=3 344 B12R0.234 O=N(=O)CCCCCCCCCO MCULE-4658294221 [0,1,0,0,0,0|1,0,1]=3 345 B12R0.248 C=CC(=O)NCCCCCCCC MCULE-9686941876 [0,1,0,0,0,0|2,0,0]=3 346 B12R0.248 C=CC(=O)OCCCCCCCC MCULE-8708207271 [0,1,0,0,0,0|2,0,0]=3 347 B12R0.248 C=CCCCCCCCC(=O)OC MCULE-1843303649 [0,1,0,0,0,0|0,0,2]=3 348 B12R0.248 CCCCCCCCC/C(=N\O)/N MCULE-5582103663 [0,1,0,0,0,0|1,0,0]=2 349 B12R0.248 CCCCCCCCCC(=O)CC MCULE-8070056231 [0,1,0,0,0,0|1,0,0]=2 350 B12R0.248 CCCCCCCCCC(=O)NC MCULE-5903490737 [0,1,0,0,0,0|1,0,0]=2 351 B12R0.248 CCCCCCCCCC(=O)NN MCULE-5225093755 [0,1,0,0,0,0|1,0,0]=2 352 B12R0.248 CCCCCCCCCC(=O)NO MCULE-3922115888 [0,1,0,0,0,0|0,0,0]=1 353 B12R0.248 CCCCCCCCCC(=O)OC MCULE-3080392178 [0,1,0,0,0,0|0,0,0]=1 354 B12R0.248 CCCCCCCCCC(C)C=O MCULE-7485962352 [0,1,0,0,0,0|1,0,1]=3 355 B12R0.248 CCCCCCCCCC(O)CC MCULE-8088841540 [0,1,0,0,0,0|1,0,1]=3 356 B12R0.248 CCCCCCCCCC(O)CO MCULE-3958170897 [0,1,0,0,0,0|0,0,2]=3 357 B12R0.248 CCCCCCCCCC([NH3+])CO MCULE-4329139225 [0,1,0,0,0,0|1,0,1]=3 358 B12R0.248 CCCCCCCCCC([NH3+])CO MCULE-6424120612 [0,1,0,0,0,0|1,0,1]=3 359 B12R0.248 CCCCCCCCNC(=O)CCl MCULE-4427362960 [0,1,0,0,0,0|2,0,0]=3 360 B12R0.248 CCCCCCCCNC(=S)NN MCULE-7622055380 [0,1,0,0,0,0|2,1,0]=4 361 B12R0.248 CCCCCCCCOC(=O)CBr MCULE-6221987137 [0,1,0,0,0,0|2,0,0]=3 362 B12R0.248 CCCCCCCCOC(=O)CC MCULE-3871560069 [0,1,0,0,0,0|2,0,0]=3 363 B12R0.248 CCCCCCCCOC(=O)CCl MCULE-4822709810 [0,1,0,0,0,0|2,0,0]=3 364 B12R0.248 CCCCCCCCOC(=O)CN MCULE-1232197423 [0,1,0,0,0,0|2,0,0]=3 365 B12R0.248 CCCCCCCCOC(=O)CN MCULE-3856902884 [0,1,0,0,0,0|2,0,0]=3 366 B12R0.248 CCCCCCCCOC(=O)CS MCULE-8976044992 [0,1,0,0,0,0|1,1,0]=3 367 B12R0.248 CCCCCCCSCC(=O)OC MCULE-8419218207 [0,1,0,0,0,0|1,0,0]=2 368 B12R0.248 CNCCCCCCCC(=O)OC MCULE-2073535841 [0,1,0,0,0,0|1,0,0]=2 369 B12R0.248 COC(=O)CCCCCCCC=O MCULE-8962678443 [0,1,0,0,0,0|1,0,1]=3 370 B12R0.248 COC(=O)CCCCCCCCBr MCULE-8360143365 [0,1,0,0,0,0|1,0,0]=2 371 B12R0.248 COC(=O)CCCCCCCCO MCULE-5867988584 [0,1,0,0,0,0|1,0,0]=2 372 B12R0.248 COC(=O)CCCCCCN=N#N MCULE-3237572469 [0,1,0,0,0,0|3,0,0]=4 373 B12R0.248 COC(=O)CCOCCOCCO MCULE-8679120721 [0,1,0,0,0,0|3,0,0]=4 374 B12R0.248 OCCCCCCCCC(O)CO MCULE-5399962147 [0,1,0,0,0,0|1,0,2]=4 375 B12R0.251 C=CCCCCCC[C@@H](N)C(=O)O MCULE-2799345068 [0,1,0,0,0,0|0,0,2]=3 376 B12R0.251 C=CCCCCCC[C@@H](N)C(=O)O MCULE-9903243220 [0,1,0,0,0,0|0,0,2]=3 377 B12R0.251 C=CCCCCCC[C@H](N)C(=O)O MCULE-2269405644 [0,1,0,0,0,0|0,0,2]=3 378 B12R0.251 C=CCCCCCC[C@H](N)C(=O)O MCULE-9502690178 [0,1,0,0,0,0|0,0,2]=3 379 B12R0.251 CCCCCCCCC(=C(F)F)F MCULE-6308736081 [0,1,0,0,0,0|2,0,1]=4 380 B12R0.251 CCCCCCCCC(Br)C(=O)O MCULE-2249695757 [0,1,0,0,0,0|0,0,0]=1 381 B12R0.251 CCCCCCCCC(C)C(=O)O MCULE-5055484783 [0,1,0,0,0,0|0,0,0]=1 382 B12R0.251 CCCCCCCCC(N)C(=O)O MCULE-5147614071 [0,1,0,0,0,0|0,0,0]=1 383 B12R0.251 CCCCCCCCC(O)C(=O)O MCULE-8352063977 [0,1,0,0,0,0|0,0,0]=1 384 B12R0.251 CCCCCCCC[C@@H](C)C(=O)O MCULE-7683022827 [0,1,0,0,0,0|0,0,0]=1 385 B12R0.251 CCCCCCCC[C@@H](N)C(=O)O MCULE-7339170439 [0,1,0,0,0,0|0,0,0]=1 386 B12R0.251 CCCCCCCC[C@H](N)C(=O)O MCULE-4486967061 [0,1,0,0,0,0|0,0,0]=1 387 B12R0.251 CCCCCCCC[C@H](N)C(=O)O MCULE-5097554565 [0,1,0,0,0,0|0,0,0]=1 388 B12R0.251 CCCCCCCC[C@H](O)C(=O)O MCULE-8055488376 [0,1,0,0,0,0|0,0,0]=1 389 B12R0.251 CCCCCCCC[C@H](O)C(=O)O MCULE-9794122537 [0,1,0,0,0,0|0,0,0]=1 390 B12R0.251 CCCCCCCOC(C)C(=O)O MCULE-7189109747 [0,1,0,0,0,0|1,0,0]=2 391 B12R0.251 [C@@H](N)(CCCCCCCC)C(=O)O MCULE-7027186088 [0,1,0,0,0,0|0,0,0]=1 392 B12R0.255 CCCCCCC(=O)CCC(=O)O MCULE-1506437124 [0,1,0,0,0,0|0,0,1]=2 393 B12R0.255 CCCCCCC(O)CCC(=O)O MCULE-5591309975 [0,1,0,0,0,0|0,0,0]=1 394 B12R0.255 CCCCCCC(O)CCC(=O)[O-] MCULE-4395510611 [0,1,0,0,0,0|0,0,1]=2 395 B12R0.255 CCCCCCS(=O)CCC(=O)[O-] MCULE-1159145242 [0,1,0,0,0,0|1,0,1]=3 396 B12R0.255 CCCCCCS(=O)CCC(=O)[O-] MCULE-6759587023 [0,1,0,0,0,0|1,0,1]=3 397 B12R0.255 CCCCCOC(=S)SCC(=O)O MCULE-6182340488 [0,1,0,0,0,0|2,0,1]=4 398 B12R0.255 CCCCOCC(S)CNC(=O)N MCULE-2533024157 [0,1,0,0,0,0|3,0,0]=4 399 B12R0.255 COCCCNC(=O)CCC(=O)O MCULE-2235611201 [0,1,0,0,0,0|2,0,1]=4 400 B12R0.255 O=C(O)CCC(=O)OCCCCO MCULE-6404727181 [0,1,0,0,0,0|2,0,1]=4 401 B12R0.268 C=C(C)CCCCCCOC(=O)C MCULE-3590471537 [0,1,0,0,0,0|2,0,1]=4 402 B12R0.268 CC(=O)CCCCCC=CC(=O)O MCULE-5335097568 [0,1,0,0,0,0|0,0,3]=4 403 B12R0.268 CC(=O)CCCCCCCC(=O)O MCULE-5299092348 [0,1,0,0,0,0|0,0,1]=2 404 B12R0.268 CC(C)CCCCCCCC(=O)O MCULE-5820446421 [0,1,0,0,0,0|0,0,0]=1 405 B12R0.268 CC(C)SCCCCCCC(=O)O MCULE-2523005761 [0,1,0,0,0,0|1,0,0]=2 406 B12R0.268 CC(O)CCCCCCCC(=O)O MCULE-2753582455 [0,1,0,0,0,0|0,0,0]=1 407 B12R0.268 NC(=O)CCCCCCCC(=O)O MCULE-3125592334 [0,1,0,0,0,0|1,0,1]=3 408 B12R0.268 O=C(Cl)CCCCCCCC(=O)Cl MCULE-9993434552 [0,1,0,0,0,0|2,0,1]=4 409 B12R0.268 O=C(O)CCCCCCCC(=O)O MCULE-4093240509 [0,1,0,0,0,0|1,0,1]=3 410 B12R0.268 O=C(O)CCCCCCON(=O)=O MCULE-5045906943 [0,1,0,0,0,0|3,0,0]=4 411 B12R0.268 O=C(O)CCCCNCCC(=O)O MCULE-2001162043 [0,1,0,0,0,0|2,0,1]=4 412 B12R0.268 O=C(O)CCCCNCCC(=O)O MCULE-8676764057 [0,1,0,0,0,0|2,0,1]=4 413 B12R0.268 O=C(O)CCCNCCCC(=O)O MCULE-1624663865 [0,1,0,0,0,0|2,0,1]=4 414 B12R0.268 O=C(O)CCCOCCCC(=O)O MCULE-5250506996 [0,1,0,0,0,0|2,0,1]=4 415 B12R0.277 CCCC(=O)CCCCCC(=O)O MCULE-2592304646 [0,1,0,0,0,0|0,0,1]=2 416 B12R0.277 CCCC(C)CCCCCC(=O)O MCULE-8094468025 [0,1,0,0,0,0|0,0,0]=1 417 B12R0.277 CCCC(N)CCCCCC(=O)O MCULE-6921348147 [0,1,0,0,0,0|0,0,0]=1 418 B12R0.277 CCOC(=O)CCCCCC(=O)C MCULE-9869285908 [0,1,0,0,0,0|2,0,1]=4 419 B12R0.277 CCOC(=O)CCCCCC(=O)Cl MCULE-5720452434 [0,1,0,0,0,0|2,0,1]=4 420 B12R0.277 CCOC(=O)CCCCCC(=O)O MCULE-3615439341 [0,1,0,0,0,0|1,0,1]=3 421 B12R1.7 CCCC#CCC1CCC(=O)O1 MCULE-9827566704 [0,0,0,1,0,0|0,0,2]=3 422 B12R1.7 CCCCCCC1CCC(=O)O1 MCULE-8274362783 [0,0,0,1,0,0|0,0,0]=1 423 B12R1.7 CCCCCCC1OCC(O1)C MCULE-3434939793 [0,0,0,1,0,0|2,0,1]=4 424 B12R1.7 CCCCOCC1CNC(=O)O1 MCULE-6966705652 [0,0,0,1,0,0|2,0,0]=3 425 B12R1.28 CC/C=C\CC1CCCC(=O)O1 MCULE-3393454158 [0,0,0,1,0,0|0,0,2]=3 426 B12R1.28 CCC=CCC1CCCC(=O)O1 MCULE-9639028527 [0,0,0,1,0,0|0,0,2]=3 427 B12R1.28 CCCCCC1CC=CC(=O)O1 MCULE-9666662342 [0,0,0,1,0,0|0,0,2]=3 428 B12R1.28 CCCCCC1CCCC(=O)O1 MCULE-2527242599 [0,0,0,1,0,0|0,0,0]=1 429 B12R1.28 CCCCC[C@@H]1CC=CC(=O)O1 MCULE-1286702458 [0,0,0,1,0,0|0,0,2]=3 430 B12R1.28 CCCCC[C@H]1CC=CC(=O)O1 MCULE-7838361683 [0,0,0,1,0,0|0,0,2]=3 431 B12R1.28 CCCCOC1=CC(=O)CCC1 MCULE-4416106131 [0,0,0,1,0,0|2,0,1]=4 432 B12R1.28 N#CCCCC1CCCC(=O)C1 MCULE-4819873207 [0,0,0,1,0,0|2,0,1]=4 433 B12R1.75 CCC1CCCCN1CC(=O)O MCULE-1466936975 [0,0,0,1,0,0|1,0,0]=2 434 B12R1.75 CCC1CCCCN1CC(=O)O MCULE-4786692834 [0,0,0,1,0,0|1,0,0]=2 435 B12R1.75 CNC1CCCCC1NC(=O)C MCULE-2047298936 [0,0,0,1,0,0|3,0,0]=4 436 B12R1.75 COC1COCCC1CC(=O)O MCULE-1148352268 [0,0,0,1,0,0|2,0,0]=3 437 B12R1.75 O=C(O)CN1CCCCC1CBr MCULE-4745302069 [0,0,0,1,0,0|2,0,0]=3 438 B12R1.75 O=C(O)CN1CCCCC1CCl MCULE-1771575283 [0,0,0,1,0,0|2,0,0]=3 439 B12R1.75 O=C(O)CN1CCCCC1CI MCULE-1312726912 [0,0,0,1,0,0|2,0,0]=3 440 B12R1.75 O=C(O)CN1CCCCC1CO MCULE-9904924658 [0,0,0,1,0,0|2,0,0]=3 441 B12R1.81 COC1CCCC1NCC(=O)N MCULE-9154365181 [0,0,0,1,0,0|3,0,0]=4 442 B12R1.81 COC1CCCC1NCC(=O)O MCULE-2262288610 [0,0,0,1,0,0|2,0,0]=3 443 B12R1.125 CC1CCCCC1OCC(=O)O MCULE-2149192016 [0,0,0,1,0,0|1,0,0]=2 444 B12R1.125 CC1CCCCN1CCC(=N)N MCULE-2398652845 [0,0,0,1,0,0|3,0,0]=4 445 B12R1.125 CC1CCCCN1CCC(=N)N MCULE-7004020111 [0,0,0,1,0,0|3,0,0]=4 446 B12R1.125 CC1CCCCN1CCC(=O)O MCULE-2264327508 [0,0,0,1,0,0|1,0,0]=2 447 B12R1.125 CC1CCCCN1CCC(=O)O MCULE-6515087928 [0,0,0,1,0,0|1,0,0]=2 448 B12R1.125 CC1CNCCC1CCC(=O)O MCULE-8609285846 [0,0,0,1,0,0|1,0,0]=2 449 B12R1.125 CN1CCCCC1CCC(=O)O MCULE-7324723252 [0,0,0,1,0,0|1,0,0]=2 450 B12R1.125 CN1CCCCC1CCC(=O)O MCULE-8814910063 [0,0,0,1,0,0|1,0,0]=2 451 B12R1.125 NC1CCCCC1CCC(=O)O MCULE-6538296828 [0,0,0,1,0,0|1,0,0]=2 452 B12R1.125 NC1CCCCC1CCC(=O)O MCULE-9802411985 [0,0,0,1,0,0|1,0,0]=2 453 B12R1.125 O=C(O)CCC1CCCCC1=O MCULE-4224119563 [0,0,0,1,0,0|1,0,1]=3 454 B12R1.125 O=C(O)CCN1CCCCC1=O MCULE-6569100258 [0,0,0,1,0,0|2,0,1]=4 455 B12R1.125 O=C(O)CSC1CCCCC1O MCULE-9209996677 [0,0,0,1,0,0|2,0,0]=3 456 B12R1.130 CN1CCCC1CNCC(=O)O MCULE-3274185883 [0,0,0,1,0,0|2,0,0]=3 457 B12R1.130 CN1CCCC1COCC(=O)O MCULE-2248139834 [0,0,0,1,0,0|2,0,0]=3 458 B12R1.130 CN1CCCC1COCC(=O)O MCULE-6246100493 [0,0,0,1,0,0|2,0,0]=3 459 B12R1.130 CN1CCC[C@H]1CNCC(=O)O MCULE-5802596984 [0,0,0,1,0,0|2,0,0]=3 460 B12R1.130 CN1CCC[C@H]1COCC(=O)O MCULE-6137867536 [0,0,0,1,0,0|2,0,0]=3 461 B12R1.130 O=C(O)CCCN1CCCC1=O MCULE-4412423494 [0,0,0,1,0,0|2,0,1]=4 462 B12R1.130 O=C(O)CCSC1CCCC1=O MCULE-9295693664 [0,0,0,1,0,0|2,0,1]=4 463 B12R1.141 O=C1CCCCCCCC(=O)O1 MCULE-2456565439 [0,0,0,1,0,0|1,0,1]=3 464 B12R1.170 NCCC1CCCCCC(=O)N1 MCULE-7372073941 [0,0,0,1,0,0|2,0,0]=3 465 B12R1.170 NCCC1CCCCCC(=O)N1 MCULE-9427535286 [0,0,0,1,0,0|2,0,0]=3 466 B12R1.210 O=C(O)CN1CCCCCC1=O MCULE-8200254471 [0,0,0,1,0,0|2,0,1]=4 467 B12R1.212 CC1CCC=CCCC1C(=O)O MCULE-6485603876 [0,0,0,1,0,0|0,0,2]=3 468 B12R1.212 NC1C=CCCCCC1C(=O)O MCULE-5863246150 [0,0,0,1,0,0|1,0,2]=4 469 B12R1.212 NC1C=CCCCCC1C(=O)O MCULE-8663847830 [0,0,0,1,0,0|1,0,2]=4 470 B12R1.212 NC1CCC=CCCC1C(=O)O MCULE-1180368495 [0,0,0,1,0,0|1,0,2]=4 471 B12R1.212 NC1CCC=CCCC1C(=O)O MCULE-3657089764 [0,0,0,1,0,0|1,0,2]=4 472 B12R1.212 NC1CCCCCCC1C(=O)O MCULE-2303513219 [0,0,0,1,0,0|1,0,0]=2 473 B12R1.212 NC1CCCCCCC1C(=O)O MCULE-5336927273 [0,0,0,1,0,0|1,0,0]=2 474 B12R1.212 N[C@@H]1CCC=CCC[C@@H]1C(=O)O MCULE-7804346033 [0,0,0,1,0,0|1,0,2]=4 475 B12R1.212 N[C@H]1CCC=CCC[C@H]1C(=O)O MCULE-1347595708 [0,0,0,1,0,0|1,0,2]=4 476 B12R1.212 N[C@H]1CCC=CCC[C@H]1C(=O)O MCULE-5235638295 [0,0,0,1,0,0|1,0,2]=4 477 B12R1.212 O=C(O)C1CCCCCCC1=O MCULE-5304671902 [0,0,0,1,0,0|1,0,1]=3 478 B12R1.215 O=C1CCNCCCCCCN1 MCULE-1263100451 [0,0,0,1,0,0|2,0,0]=3 479 B12R1.215 O=C1CCNCCCOCCN1 MCULE-2789680382 [0,0,0,1,0,0|3,0,0]=4 480 B12R1.252 C=C(C)CCCC1CCCCC1 MCULE-7799078786 [0,0,0,1,0,0|2,0,0]=3 481 B12R1.252 CC(=O)CCC=C1CCCCC1 MCULE-1076445196 [0,0,0,1,0,0|1,0,2]=4 482 B12R1.252 CC(=O)CCCC1CCCCC1 MCULE-5187598883 [0,0,0,1,0,0|1,0,0]=2 483 B12R1.252 CC(=O)NCCC1CCCCN1 MCULE-5840104711 [0,0,0,1,0,0|3,0,0]=4 484 B12R1.252 CC(=O)NCCC1CCCCN1 MCULE-7320206184 [0,0,0,1,0,0|3,0,0]=4 485 B12R1.252 CC(=O)NCCC1CCCCN1 MCULE-9295576951 [0,0,0,1,0,0|3,0,0]=4 486 B12R1.252 CC(=O)NCCC1CCCNC1 MCULE-2925470482 [0,0,0,1,0,0|3,0,0]=4 487 B12R1.252 CC(=O)NCCC1CCCNC1 MCULE-7399408933 [0,0,0,1,0,0|3,0,0]=4 488 B12R1.252 CC(=O)NCCC1CCNCC1 MCULE-7669887235 [0,0,0,1,0,0|3,0,0]=4 489 B12R1.252 CC(=O)NCCC1CCNCC1 MCULE-9410705557 [0,0,0,1,0,0|3,0,0]=4 490 B12R1.252 CC(=O)OCCC1CCCCN1 MCULE-1026387511 [0,0,0,1,0,0|3,0,0]=4 491 B12R1.252 CC(=O)OCCC1CCCCN1 MCULE-3751642892 [0,0,0,1,0,0|3,0,0]=4 492 B12R1.252 CC(=O)OCCC1CCCNC1 MCULE-1775660875 [0,0,0,1,0,0|3,0,0]=4 493 B12R1.252 CC(=O)OCCC1CCCNC1 MCULE-7081319541 [0,0,0,1,0,0|3,0,0]=4 494 B12R1.252 CC(=O)OCCC1CCNCC1 MCULE-3691332043 [0,0,0,1,0,0|3,0,0]=4 495 B12R1.252 CC(=O)OCCC1CCNCC1 MCULE-8239323848 [0,0,0,1,0,0|3,0,0]=4 496 B12R1.252 CC(=O)SCCC1CCCCC1 MCULE-8635148363 [0,0,0,1,0,0|2,0,0]=3 497 B12R1.252 CC(=O)SCCN1CCCCC1 MCULE-2541705969 [0,0,0,1,0,0|3,0,0]=4 498 B12R1.252 CC(=O)SCCN1CCCCC1 MCULE-8698410675 [0,0,0,1,0,0|3,0,0]=4 499 B12R1.252 CC(O)CNCC1CCCCC1 MCULE-6837813049 [0,0,0,1,0,0|2,0,1]=4 500 B12R1.252 CC(O)CNCC1CCCCC1 MCULE-6859220464 [0,0,0,1,0,0|2,0,1]=4 501 B12R1.252 NC(=O)CCCC1CCNCC1 MCULE-8068328020 [0,0,0,1,0,0|2,0,0]=3 502 B12R1.252 NC(=O)CCNC1CCCCC1 MCULE-6961669869 [0,0,0,1,0,0|2,0,0]=3 503 B12R1.252 NC(=O)CNCC1CCOCC1 MCULE-8061631380 [0,0,0,1,0,0|3,0,0]=4 504 B12R1.252 O=C(Cl)CCCC1CCCCC1 MCULE-6685434994 [0,0,0,1,0,0|1,0,0]=2 505 B12R1.252 O=C(O)/C=C/CN1CCCCC1 MCULE-2574027587 [0,0,0,1,0,0|1,0,2]=4 506 B12R1.252 O=C(O)/C=C/CN1CCCCC1 MCULE-7976173160 [0,0,0,1,0,0|1,0,2]=4 507 B12R1.252 O=C(O)C=CCN1CCCCC1 MCULE-2313554291 [0,0,0,1,0,0|1,0,2]=4 508 B12R1.252 O=C(O)C=CCN1CCCCC1 MCULE-5619896364 [0,0,0,1,0,0|1,0,2]=4 509 B12R1.252 O=C(O)CCCC1CCCCC1 MCULE-8249292238 [0,0,0,1,0,0|0,0,0]=1 510 B12R1.252 O=C(O)CCCC1CCCCN1 MCULE-6744436702 [0,0,0,1,0,0|1,0,0]=2 511 B12R1.252 O=C(O)CCCC1CCCCN1 MCULE-6927833795 [0,0,0,1,0,0|1,0,0]=2 512 B12R1.252 O=C(O)CCCC1CCNCC1 MCULE-1999021566 [0,0,0,1,0,0|1,0,0]=2 513 B12R1.252 O=C(O)CCCC1CCNCC1 MCULE-5061937452 [0,0,0,1,0,0|1,0,0]=2 514 B12R1.252 O=C(O)CCCC1CCOCC1 MCULE-3067113283 [0,0,0,1,0,0|1,0,0]=2 515 B12R1.252 O=C(O)CCCN1CCCCC1 MCULE-2691750895 [0,0,0,1,0,0|1,0,0]=2 516 B12R1.252 O=C(O)CCCN1CCCCC1 MCULE-7693123644 [0,0,0,1,0,0|1,0,0]=2 517 B12R1.252 O=C(O)CCCN1CCOCC1 MCULE-3808061194 [0,0,0,1,0,0|2,0,0]=3 518 B12R1.252 O=C(O)CCCN1CCOCC1 MCULE-6111321827 [0,0,0,1,0,0|2,0,0]=3 519 B12R1.252 O=C(O)CCNC1=NCCCC1 MCULE-7368604852 [0,0,0,1,0,0|2,0,1]=4 520 B12R1.252 O=C(O)CCNC1CCCCC1 MCULE-9246786190 [0,0,0,1,0,0|1,0,0]=2 521 B12R1.252 O=C(O)CCOC1CCCCO1 MCULE-1716928477 [0,0,0,1,0,0|2,0,0]=3 522 B12R1.252 O=C(O)CCOC1CCOCC1 MCULE-9390535734 [0,0,0,1,0,0|2,0,0]=3 523 B12R1.252 O=C(O)CNCC1CCCCC1 MCULE-8613545922 [0,0,0,1,0,0|1,0,0]=2 524 B12R1.252 O=C(O)CNCC1CCCCC1 MCULE-8778334854 [0,0,0,1,0,0|1,0,0]=2 525 B12R1.252 O=C(O)COCC1CCCCO1 MCULE-4058015104 [0,0,0,1,0,0|2,0,0]=3 526 B12R1.252 O=C(O)CSCC1CCCCO1 MCULE-4195821334 [0,0,0,1,0,0|2,0,0]=3 527 B12R1.252 O=C([O-])CCCC1CCCCC1 MCULE-8598802518 [0,0,0,1,0,0|0,0,1]=2 528 B12R1.252 OB(O)CCCC1CCCCC1 MCULE-4093256475 [0,0,0,1,0,0|1,0,1]=3 529 B12R1.255 NC(=O)CCCCC1CCSS1 MCULE-3905195412 [0,0,0,1,0,0|3,0,0]=4 530 B12R1.255 NC(=O)CCNCC1CCCO1 MCULE-9163751662 [0,0,0,1,0,0|3,0,0]=4 531 B12R1.255 O=C(O)CCCCC1CCSS1 MCULE-1034910084 [0,0,0,1,0,0|2,0,0]=3 532 B12R1.255 O=C(O)CCCCC1CSSC1 MCULE-2400272112 [0,0,0,1,0,0|2,0,0]=3 533 B12R1.255 O=C(O)CCCCC1OCCO1 MCULE-2471174890 [0,0,0,1,0,0|2,0,0]=3 534 B12R1.255 O=C(O)CCCCN1CCCC1 MCULE-4626905282 [0,0,0,1,0,0|1,0,0]=2 535 B12R1.255 O=C(O)CCCCN1CCCC1 MCULE-9805744856 [0,0,0,1,0,0|1,0,0]=2 536 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 MCULE-3939318333 [0,0,0,1,0,0|2,0,0]=3 537 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 MCULE-5119858094 [0,0,0,1,0,0|2,0,0]=3 538 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 MCULE-3745351545 [0,0,0,1,0,0|2,0,0]=3 539 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 MCULE-4196115946 [0,0,0,1,0,0|2,0,0]=3 540 B12R1.255 O=C(O)CCOCC1CCCO1 MCULE-6575689085 [0,0,0,1,0,0|2,0,0]=3 541 B12R1.255 O=C(O)CSCCN1CCCC1 MCULE-8161223615 [0,0,0,1,0,0|2,0,0]=3 542 B12R1.255 O=C(O)CSCCN1CCCC1 MCULE-9395650023 [0,0,0,1,0,0|2,0,0]=3 543 B12R1.255 O=C([O-])CCCCC1CCSS1 MCULE-7092697398 [0,0,0,1,0,0|2,0,1]=4 544 B12R1.283 C#CCN1CCCCC1C(=O)O MCULE-1189881562 [0,0,0,1,0,0|1,0,2]=4 545 B12R1.283 CCCN1CCCCC1C(=O)O MCULE-1283308328 [0,0,0,1,0,0|1,0,0]=2 546 B12R1.283 CCCN1CCCCC1C(=O)O MCULE-5666620583 [0,0,0,1,0,0|1,0,0]=2 547 B12R1.283 CCCN1CCNCC1C(=O)O MCULE-8138651228 [0,0,0,1,0,0|2,0,0]=3 548 B12R1.283 CNCC1CCCCN1C(=O)C MCULE-9756626362 [0,0,0,1,0,0|3,0,0]=4 549 B12R1.289 COCC1CCCN1CC(=O)O MCULE-8271632316 [0,0,0,1,0,0|2,0,0]=3 550 B12R1.375 CCCCCCCCC[C@@H]1CO1 MCULE-1904651720 [0,0,0,1,0,0|1,0,1]=3 551 B12R1.375 CCCCCCCOC[C@H]1CO1 MCULE-6928162982 [0,0,0,1,0,0|2,0,1]=4 552 B12R1.386 CCNCC1CCCN1C(=O)C MCULE-8894860154 [0,0,0,1,0,0|3,0,0]=4 553 B12R1.386 CCNC[C@@H]1CCCN1C(=O)C MCULE-7509434787 [0,0,0,1,0,0|3,0,0]=4 554 B12R1.386 COCCN1CSCC1C(=O)O MCULE-2549882838 [0,0,0,1,0,0|3,0,0]=4 555 B12R1.386 N#CCCN1CCCC1C(=O)O MCULE-6379867176 [0,0,0,1,0,0|2,0,1]=4 556 B12R1.386 N#CCCN1CCC[C@H]1C(=O)O MCULE-7540836002 [0,0,0,1,0,0|2,0,1]=4 557 B12R1.405 CCN1CCCCCC1C(=O)O MCULE-2326419949 [0,0,0,1,0,0|1,0,0]=2 558 B12R1.1343 CC(=O)CCC1CCCCCC1 MCULE-1678869086 [0,0,0,1,0,0|1,0,0]=2 559 B12R1.1343 O=C(O)CCC1CCCCCC1 MCULE-3221739644 [0,0,0,1,0,0|0,0,0]=1 560 B12R1.1343 O=C(O)CCN1CCCCCC1 MCULE-6902441701 [0,0,0,1,0,0|1,0,0]=2 561 B12R1.1343 O=C(O)CCN1CCCCCC1 MCULE-8652213601 [0,0,0,1,0,0|1,0,0]=2 562 B12R1.1343 O=C(O)CCN1CSCCSC1 MCULE-9661159221 [0,0,0,1,0,0|3,0,0]=4 563 B12R1.1343 O=C(O)CNC1=NCCCCC1 MCULE-2991973710 [0,0,0,1,0,0|2,0,1]=4 564 B12R1.1343 O=C(O)CNC1CCCCCC1 MCULE-3407473628 [0,0,0,1,0,0|1,0,0]=2 565 B12R1.1343 O=C(O)COC1CCCCCC1 MCULE-7705697205 [0,0,0,1,0,0|1,0,0]=2 566 B12R1.1392 C=C(C)CC1CCCCCCC1 MCULE-8129802280 [0,0,0,1,0,0|2,0,0]=3 567 B12R1.1392 CC(=O)OC1CCCCCCC1 MCULE-6350829843 [0,0,0,1,0,0|2,0,0]=3 568 B12R1.1392 NC(=O)NC1CCCCCCC1 MCULE-8088379075 [0,0,0,1,0,0|2,0,0]=3 569 B12R1.1392 O=C(O)CN1CCCCCCC1 MCULE-5706680135 [0,0,0,1,0,0|1,0,0]=2 570 B9R0.2 C#CCCCCCC(=O)O MCULE-4594227399 [2,0,0,0,0,0|0,0,2]=4 571 B9R0.2 C=C(Br)CCCCCCC MCULE-7091252982 [2,0,0,0,0,0|2,0,0]=4 572 B9R0.2 C=C(C)CCCCCCC MCULE-6074571960 [2,0,0,0,0,0|2,0,0]=4 573 B9R0.2 C=C(Cl)CCCCCCC MCULE-4513303196 [2,0,0,0,0,0|2,0,0]=4 574 B9R0.2 C=CCCCCCC(=O)O MCULE-6571932731 [2,0,0,0,0,0|0,0,2]=4 575 B9R0.2 CC(=O)CCCCCCN MCULE-5842243037 [2,0,0,0,0,0|2,0,0]=4 576 B9R0.2 CC(=O)CCCCCCN MCULE-6017408205 [2,0,0,0,0,0|2,0,0]=4 577 B9R0.2 CCCC/C=C/CC(=O)O MCULE-3008379579 [2,0,0,0,0,0|0,0,2]=4 578 B9R0.2 CCCC=CCCC(=O)O MCULE-8091554117 [2,0,0,0,0,0|0,0,2]=4 579 B9R0.2 CCCCC#CCC(=O)O MCULE-2685341100 [2,0,0,0,0,0|0,0,2]=4 580 B9R0.2 CCCCC/C=C/C(=O)O MCULE-5661205729 [2,0,0,0,0,0|0,0,2]=4 581 B9R0.2 CCCCC=CCC(=O)O MCULE-1531958630 [2,0,0,0,0,0|0,0,2]=4 582 B9R0.2 CCCCCC#CC(=O)O MCULE-1860076106 [2,0,0,0,0,0|0,0,2]=4 583 B9R0.2 CCCCCC=CC(=O)O MCULE-6969617806 [2,0,0,0,0,0|0,0,2]=4 584 B9R0.2 CCCCCCCB(O)O MCULE-2487835239 [2,0,0,0,0,0|1,0,1]=4 585 B9R0.2 CCCCCCCC(=N)N MCULE-8703701987 [2,0,0,0,0,0|2,0,0]=4 586 B9R0.2 CCCCCCCC(=O)C MCULE-9635928766 [2,0,0,0,0,0|1,0,0]=3 587 B9R0.2 CCCCCCCC(=O)Cl MCULE-9979489292 [2,0,0,0,0,0|1,0,0]=3 588 B9R0.2 CCCCCCCC(=O)N MCULE-8774193381 [2,0,0,0,0,0|1,0,0]=3 589 B9R0.2 CCCCCCCC(=O)O MCULE-5193957469 [2,0,0,0,0,0|0,0,0]=2 590 B9R0.2 CCCCCCCC(=O)[O-] MCULE-3608650495 [2,0,0,0,0,0|0,0,1]=3 591 B9R0.2 CCCCCCCC(=O)[O-] MCULE-8227046407 [2,0,0,0,0,0|0,0,1]=3 592 B9R0.2 CCCCCCCC(C)O MCULE-5218382339 [2,0,0,0,0,0|1,0,1]=4 593 B9R0.2 CCCCCCCN(=O)=O MCULE-3345030651 [2,0,0,0,0,0|1,0,1]=4 594 B9R0.2 CCCCCCC[C@H](C)O MCULE-6211597611 [2,0,0,0,0,0|1,0,1]=4 595 B9R0.2 CCCCCCNC(=O)N MCULE-4236638652 [2,0,0,0,0,0|2,0,0]=4 596 B9R0.2 CCCCCCOC(=O)C MCULE-7353613022 [2,0,0,0,0,0|2,0,0]=4 597 B9R0.2 CCCCCCOC(=O)Cl MCULE-3135055168 [2,0,0,0,0,0|2,0,0]=4 598 B9R0.2 CCCCCCOC(=O)N MCULE-3909923308 [2,0,0,0,0,0|2,0,0]=4 599 B9R0.2 CCCCCNCC(=O)N MCULE-1817354788 [2,0,0,0,0,0|2,0,0]=4 600 B9R0.2 CCCCCNCC(=O)N MCULE-5558188497 [2,0,0,0,0,0|2,0,0]=4 601 B9R0.2 CCCCCOCC(=O)O MCULE-8190672624 [2,0,0,0,0,0|1,0,0]=3 602 B9R0.2 CCCCOCCC(=O)O MCULE-3735085695 [2,0,0,0,0,0|1,0,0]=3 603 B9R0.2 CCCCSCCC(=O)O MCULE-7414288717 [2,0,0,0,0,0|1,0,0]=3 604 B9R0.2 CCCOCCCC(=O)O MCULE-8829980105 [2,0,0,0,0,0|1,0,0]=3 605 B9R0.2 CCCSCCCC(=O)O MCULE-9850452520 [2,0,0,0,0,0|1,0,0]=3 606 B9R0.2 CCNCCCCC(=O)O MCULE-1386195341 [2,0,0,0,0,0|1,0,0]=3 607 B9R0.2 CCNCCCCC(=O)O MCULE-1922836400 [2,0,0,0,0,0|1,0,0]=3 608 B9R0.2 CCOCCCCC(=O)O MCULE-8522289104 [2,0,0,0,0,0|1,0,0]=3 609 B9R0.2 CCOCCOCC(=O)O MCULE-2273372397 [2,0,0,0,0,0|2,0,0]=4 610 B9R0.2 CNCCCCCC(=O)O MCULE-8016435275 [2,0,0,0,0,0|1,0,0]=3 611 B9R0.2 CNCCOCCC(=O)O MCULE-6581967922 [2,0,0,0,0,0|2,0,0]=4 612 B9R0.2 COCCCCCC(=O)O MCULE-1769987918 [2,0,0,0,0,0|1,0,0]=3 613 B9R0.2 COCCCOCC(=O)O MCULE-7774967166 [2,0,0,0,0,0|2,0,0]=4 614 B9R0.2 COCCNCCC(=O)O MCULE-3571993123 [2,0,0,0,0,0|2,0,0]=4 615 B9R0.2 COCCOCCC(=O)O MCULE-5125891492 [2,0,0,0,0,0|2,0,0]=4 616 B9R0.2 CSCCCCCC(=O)O MCULE-9069370044 [2,0,0,0,0,0|1,0,0]=3 617 B9R0.2 C[NH2+]CCCCCC(=O)O MCULE-8971339830 [2,0,0,0,0,0|1,0,0]=3 618 B9R0.2 N#CCCCCCC(=O)O MCULE-6510846674 [2,0,0,0,0,0|1,0,1]=4 619 B9R0.2 NC(=O)CCCCCCO MCULE-7432797193 [2,0,0,0,0,0|2,0,0]=4 620 B9R0.2 NCCCCCCC(=O)N MCULE-9587339996 [2,0,0,0,0,0|2,0,0]=4 621 B9R0.2 NCCCCCCC(=O)O MCULE-6089872609 [2,0,0,0,0,0|1,0,0]=3 622 B9R0.2 NCCCCCCC(=O)O MCULE-7769232328 [2,0,0,0,0,0|1,0,0]=3 623 B9R0.2 NOCCCCCC(=O)O MCULE-3221083368 [2,0,0,0,0,0|2,0,0]=4 624 B9R0.2 NOCCCCCC(=O)O MCULE-6721085396 [2,0,0,0,0,0|2,0,0]=4 625 B9R0.2 NOCCCCCC(=O)O MCULE-7170875932 [2,0,0,0,0,0|2,0,0]=4 626 B9R0.2 O=C(O)CCCCCCBr MCULE-3980379488 [2,0,0,0,0,0|1,0,0]=3 627 B9R0.2 O=C(O)CCCCCCF MCULE-7539264820 [2,0,0,0,0,0|1,0,0]=3 628 B9R0.2 O=C(O)CCCCCCO MCULE-7270362706 [2,0,0,0,0,0|1,0,0]=3 629 B9R0.2 O=C(O)CCCCCCS MCULE-5659986053 [2,0,0,0,0,0|1,0,0]=3 630 B9R0.2 O=C(O)CCCNCCO MCULE-8202070706 [2,0,0,0,0,0|2,0,0]=4 631 B9R0.2 O=C(O)CNCCCCO MCULE-6377863888 [2,0,0,0,0,0|2,0,0]=4 632 B9R0.2 O=CCCCCCC(=O)O MCULE-1442157793 [2,0,0,0,0,0|1,0,1]=4 633 B9R0.45 BrCCCCCCCCBr MCULE-7960475988 [2,0,0,0,0,0|2,0,0]=4 634 B9R0.45 C#CCCCCCCCC MCULE-3452683648 [2,0,0,0,0,0|0,0,2]=4 635 B9R0.45 C#CCCCCCCCO MCULE-8834112591 [2,0,0,0,0,0|0,0,2]=4 636 B9R0.45 C(=C\CCCCCO)\CC MCULE-7910166129 [2,0,0,0,0,0|0,0,2]=4 637 B9R0.45 C=CCCCCCCC=O MCULE-4979248929 [2,0,0,0,0,0|0,0,2]=4 638 B9R0.45 C=CCCCCCCCBr MCULE-6324921683 [2,0,0,0,0,0|1,0,1]=4 639 B9R0.45 C=CCCCCCCCC MCULE-1391753135 [2,0,0,0,0,0|0,0,1]=3 640 B9R0.45 C=CCCCCCCCCl MCULE-3438052360 [2,0,0,0,0,0|1,0,1]=4 641 B9R0.45 C=CCCCCCCCN MCULE-5068886534 [2,0,0,0,0,0|1,0,1]=4 642 B9R0.45 C=CCCCCCCCN MCULE-7639889154 [2,0,0,0,0,0|1,0,1]=4 643 B9R0.45 C=CCCCCCCCO MCULE-9611510472 [2,0,0,0,0,0|0,0,2]=4 644 B9R0.45 CC/C=C\CCCCC=O MCULE-6517193376 [2,0,0,0,0,0|0,0,2]=4 645 B9R0.45 CC=CCCCCCCC MCULE-6461098537 [2,0,0,0,0,0|1,0,1]=4 646 B9R0.45 CCC=CCCCCC=O MCULE-5419350827 [2,0,0,0,0,0|0,0,2]=4 647 B9R0.45 CCC=CCCCCCO MCULE-1504274864 [2,0,0,0,0,0|0,0,2]=4 648 B9R0.45 CCCCC#CCCCO MCULE-1298739911 [2,0,0,0,0,0|0,0,2]=4 649 B9R0.45 CCCCC/C=C\CCO MCULE-4434068395 [2,0,0,0,0,0|0,0,2]=4 650 B9R0.45 CCCCCC#CCCO MCULE-7189083538 [2,0,0,0,0,0|0,0,2]=4 651 B9R0.45 CCCCCC/C=C/C=O MCULE-5281758989 [2,0,0,0,0,0|0,0,2]=4 652 B9R0.45 CCCCCC/C=C/CO MCULE-1969100525 [2,0,0,0,0,0|0,0,2]=4 653 B9R0.45 CCCCCC/C=C\CO MCULE-4688229291 [2,0,0,0,0,0|0,0,2]=4 654 B9R0.45 CCCCCC=CCCO MCULE-4969061256 [2,0,0,0,0,0|0,0,2]=4 655 B9R0.45 CCCCCCC#CCO MCULE-7144291083 [2,0,0,0,0,0|0,0,2]=4 656 B9R0.45 CCCCCCC=CC=O MCULE-8114348514 [2,0,0,0,0,0|0,0,2]=4 657 B9R0.45 CCCCCCC=CCO MCULE-8666977236 [2,0,0,0,0,0|0,0,2]=4 658 B9R0.45 CCCCCCCCC#N MCULE-9980153452 [2,0,0,0,0,0|1,0,1]=4 659 B9R0.45 CCCCCCCCC=O MCULE-9888879952 [2,0,0,0,0,0|0,0,0]=2 660 B9R0.45 CCCCCCCCCBr MCULE-1405697483 [2,0,0,0,0,0|1,0,0]=3 661 B9R0.45 CCCCCCCCCC MCULE-6071426098 [2,0,0,0,0,0|0,0,1]=3 662 B9R0.45 CCCCCCCCCCl MCULE-6711902685 [2,0,0,0,0,0|1,0,0]=3 663 B9R0.45 CCCCCCCCCF MCULE-9584148452 [2,0,0,0,0,0|1,0,0]=3 664 B9R0.45 CCCCCCCCCI MCULE-8717337450 [2,0,0,0,0,0|1,0,0]=3 665 B9R0.45 CCCCCCCCCN MCULE-5395407299 [2,0,0,0,0,0|1,0,0]=3 666 B9R0.45 CCCCCCCCCO MCULE-4020281400 [2,0,0,0,0,0|0,0,0]=2 667 B9R0.45 CCCCCCCCCS MCULE-1070515106 [2,0,0,0,0,0|0,1,0]=3 668 B9R0.45 CCCCCCCCNC MCULE-6996288442 [2,0,0,0,0,0|1,0,1]=4 669 B9R0.45 CCCCCCCCOC MCULE-4646070035 [2,0,0,0,0,0|1,0,1]=4 670 B9R0.45 CCCCCCCCSC MCULE-5517176664 [2,0,0,0,0,0|1,0,1]=4 671 B9R0.45 CCCCCCCN=C=O MCULE-8681396809 [2,0,0,0,0,0|1,0,1]=4 672 B9R0.45 CCCCCCCNC=O MCULE-7638122818 [2,0,0,0,0,0|1,0,0]=3 673 B9R0.45 CCCCCCCNCC MCULE-3055645322 [2,0,0,0,0,0|1,0,1]=4 674 B9R0.45 CCCCCCCOC=O MCULE-6396391540 [2,0,0,0,0,0|1,0,0]=3 675 B9R0.45 CCCCCCNCCN MCULE-2521807905 [2,0,0,0,0,0|2,0,0]=4 676 B9R0.45 CCCCCCNCCN MCULE-5886608711 [2,0,0,0,0,0|2,0,0]=4 677 B9R0.45 CCCCCCNCCO MCULE-6828996225 [2,0,0,0,0,0|1,0,0]=3 678 B9R0.45 CCCCCCOCCCl MCULE-5675234570 [2,0,0,0,0,0|2,0,0]=4 679 B9R0.45 CCCCCCOCCO MCULE-1339769602 [2,0,0,0,0,0|1,0,0]=3 680 B9R0.45 CCCCCCSCCO MCULE-3331753796 [2,0,0,0,0,0|1,0,0]=3 681 B9R0.45 CCCCCNCCCC MCULE-4324738465 [2,0,0,0,0,0|1,0,1]=4 682 B9R0.45 CCCCCOCCCO MCULE-3048029561 [2,0,0,0,0,0|1,0,0]=3 683 B9R0.45 CCCCNCCCCO MCULE-1748671401 [2,0,0,0,0,0|1,0,0]=3 684 B9R0.45 CCCCOCCCCO MCULE-1926189258 [2,0,0,0,0,0|1,0,0]=3 685 B9R0.45 CCCC[NH2+]CCCCCl MCULE-2045714641 [2,0,0,0,0,0|2,0,0]=4 686 B9R0.45 CCCC[NH2+]CCCCCl MCULE-2222567485 [2,0,0,0,0,0|2,0,0]=4 687 B9R0.45 CCCNCCOCCO MCULE-9598749389 [2,0,0,0,0,0|2,0,0]=4 688 B9R0.45 CCCOCCOCCO MCULE-8416880348 [2,0,0,0,0,0|2,0,0]=4 689 B9R0.45 CNCCCNCCCO MCULE-9778642064 [2,0,0,0,0,0|2,0,0]=4 690 B9R0.45 COCCCOCCCO MCULE-6516268580 [2,0,0,0,0,0|2,0,0]=4 691 B9R0.45 COCCNCCCCO MCULE-8413188192 [2,0,0,0,0,0|2,0,0]=4 692 B9R0.45 ClCCCCCCCCCl MCULE-7522868799 [2,0,0,0,0,0|2,0,0]=4 693 B9R0.45 ICCCCCCCCI MCULE-6544838106 [2,0,0,0,0,0|2,0,0]=4 694 B9R0.45 NCCCCCCCCBr MCULE-6623783968 [2,0,0,0,0,0|2,0,0]=4 695 B9R0.45 NCCCCCCCCBr MCULE-9911947498 [2,0,0,0,0,0|2,0,0]=4 696 B9R0.45 NCCCCCCCCN MCULE-1106731228 [2,0,0,0,0,0|2,0,0]=4 697 B9R0.45 NCCCCCCCCN MCULE-9889097856 [2,0,0,0,0,0|2,0,0]=4 698 B9R0.45 NCCCCCCCCO MCULE-1230018398 [2,0,0,0,0,0|1,0,0]=3 699 B9R0.45 NCCNCCCCCO MCULE-7178121419 [2,0,0,0,0,0|2,0,0]=4 700 B9R0.45 NCCNCCCCCO MCULE-8348628451 [2,0,0,0,0,0|2,0,0]=4 701 B9R0.45 O=CCCCCCCC=O MCULE-6545234470 [2,0,0,0,0,0|1,0,1]=4 702 B9R0.45 OCCCCCCCCBr MCULE-2005797184 [2,0,0,0,0,0|1,0,0]=3 703 B9R0.45 OCCCCCCCCCl MCULE-8776830410 [2,0,0,0,0,0|1,0,0]=3 704 B9R0.45 OCCCCCCCCI MCULE-7793639517 [2,0,0,0,0,0|1,0,0]=3 705 B9R0.45 OCCCCCCCCO MCULE-7897417838 [2,0,0,0,0,0|1,0,0]=3 706 B9R0.45 OCCCCCCCCS MCULE-8372814979 [2,0,0,0,0,0|1,0,0]=3 707 B9R0.45 SCCCCCCCCS MCULE-5325130158 [2,0,0,0,0,0|1,1,0]=4 708 B9R0.45 [NH2+](CCCC)CCCCC MCULE-5314318531 [2,0,0,0,0,0|1,0,1]=4 709 B11R0.2 C=C(C)CC(C)CCCCCC MCULE-9270463569 [1,1,0,0,0,0|2,0,0]=4 710 B11R0.2 CCC/C=C\CC(N)CC(=O)O MCULE-9494795833 [1,1,0,0,0,0|0,0,2]=4 711 B11R0.2 CCCCCCC(=O)CC(=O)C MCULE-1947947048 [1,1,0,0,0,0|1,0,1]=4 712 B11R0.2 CCCCCCC(=O)CC(=O)O MCULE-9513160139 [1,1,0,0,0,0|0,0,1]=3 713 B11R0.2 CCCCCCC(C)CC(=O)O MCULE-4777686649 [1,1,0,0,0,0|0,0,0]=2 714 B11R0.2 CCCCCCC(C)OC(=O)C MCULE-6230359539 [1,1,0,0,0,0|2,0,0]=4 715 B11R0.2 CCCCCCC(N)CC(=O)O MCULE-6987665804 [1,1,0,0,0,0|0,0,0]=2 716 B11R0.2 CCCCCCC(N)CC(=O)O MCULE-8299240038 [1,1,0,0,0,0|0,0,0]=2 717 B11R0.2 CCCCCCC(O)CC(=O)O MCULE-8278468713 [1,1,0,0,0,0|0,0,0]=2 718 B11R0.2 CCCCCCN(C)CC(=O)O MCULE-5638671142 [1,1,0,0,0,0|1,0,0]=3 719 B11R0.2 CCCCCCN(C)CC(=O)O MCULE-6664823722 [1,1,0,0,0,0|1,0,0]=3 720 B11R0.30 C=C(Br)CCCCCCC(=O)O MCULE-6895852201 [1,1,0,0,0,0|0,0,2]=4 721 B11R0.30 C=C(C)CCCCCCC(=O)O MCULE-4818988928 [1,1,0,0,0,0|0,0,1]=3 722 B11R0.30 C=C(Cl)CCCCCCC(=O)O MCULE-6082663554 [1,1,0,0,0,0|0,0,2]=4 723 B11R0.30 CC(=O)CCCCCCC(=O)C MCULE-3854362746 [1,1,0,0,0,0|1,0,1]=4 724 B11R0.30 CC(=O)CCCCCCC(=O)O MCULE-6390414263 [1,1,0,0,0,0|0,0,1]=3 725 B11R0.30 CC(=O)NCCCCCC(=O)O MCULE-2324288602 [1,1,0,0,0,0|1,0,1]=4 726 B11R0.30 CC(=O)SCCCCCC(=O)O MCULE-7058924302 [1,1,0,0,0,0|1,0,1]=4 727 B11R0.30 CC(C)/C=C\CCCCC(=O)O MCULE-3685314454 [1,1,0,0,0,0|0,0,2]=4 728 B11R0.30 CC(C)C=CCCCCC(=O)O MCULE-9153738942 [1,1,0,0,0,0|0,0,2]=4 729 B11R0.30 CC(C)CCCCCCC(=O)O MCULE-7144406547 [1,1,0,0,0,0|0,0,0]=2 730 B11R0.30 CC(O)CCCCCCC(=O)O MCULE-7012579621 [1,1,0,0,0,0|0,0,0]=2 731 B11R0.30 CN(C)CCCCCCC(=O)O MCULE-5163840640 [1,1,0,0,0,0|1,0,0]=3 732 B11R0.30 CN(C)CCCCCCC(=O)O MCULE-5248234243 [1,1,0,0,0,0|1,0,0]=3 733 B11R0.30 O=C(O)CCCCCCC(=O)O MCULE-1380155289 [1,1,0,0,0,0|1,0,1]=4 734 B11R0.40 C=C(C=O)CCCCCCCC MCULE-1736101056 [1,1,0,0,0,0|1,0,0]=3 735 B11R0.40 C=CS(=O)CCCCCCCC MCULE-1360438768 [1,1,0,0,0,0|2,0,0]=4 736 B11R0.40 CCCCC/C=C/CC(=O)OC MCULE-2579151246 [1,1,0,0,0,0|0,0,2]=4 737 B11R0.40 CCCCCCC#CC(=O)OC MCULE-7877194626 [1,1,0,0,0,0|0,0,2]=4 738 B11R0.40 CCCCCCC=CC(=O)OC MCULE-3102057992 [1,1,0,0,0,0|0,0,2]=4 739 B11R0.40 CCCCCCCCC(=O)C=O MCULE-2896760493 [1,1,0,0,0,0|0,0,1]=3 740 B11R0.40 CCCCCCCCC(=O)CC MCULE-9958837588 [1,1,0,0,0,0|1,0,0]=3 741 B11R0.40 CCCCCCCCC(=O)NN MCULE-6560373796 [1,1,0,0,0,0|1,0,0]=3 742 B11R0.40 CCCCCCCCC(=O)NO MCULE-7098688577 [1,1,0,0,0,0|0,0,0]=2 743 B11R0.40 CCCCCCCCC(=O)OC MCULE-4760106079 [1,1,0,0,0,0|0,0,0]=2 744 B11R0.40 CCCCCCCCC(C)C=O MCULE-9301043210 [1,1,0,0,0,0|1,0,1]=4 745 B11R0.40 CCCCCCCCC(C)CO MCULE-6530142953 [1,1,0,0,0,0|1,0,1]=4 746 B11R0.40 CCCCCCCCC(N)CO MCULE-3838512887 [1,1,0,0,0,0|1,0,1]=4 747 B11R0.40 CCCCCCCCC(O)CC MCULE-7447063642 [1,1,0,0,0,0|1,0,1]=4 748 B11R0.40 CCCCCCCCC(O)CN MCULE-1386452336 [1,1,0,0,0,0|1,0,1]=4 749 B11R0.40 CCCCCCCCC(O)CO MCULE-4401791520 [1,1,0,0,0,0|0,0,2]=4 750 B11R0.40 CCCCCCCCC([NH3+])CO MCULE-9745638839 [1,1,0,0,0,0|1,0,1]=4 751 B11R0.40 CCCCCCCC[C@@H](Br)C=O MCULE-3823724408 [1,1,0,0,0,0|1,0,1]=4 752 B11R0.40 CCCCCCCC[C@@H](O)CO MCULE-3097644735 [1,1,0,0,0,0|0,0,2]=4 753 B11R0.40 CCCCCCCC[C@@H](O)CO MCULE-9306542938 [1,1,0,0,0,0|0,0,2]=4 754 B11R0.40 CCCCCCCC[C@H](C)C=O MCULE-7337993182 [1,1,0,0,0,0|1,0,1]=4 755 B11R0.40 CCCCCCCNC(=O)CBr MCULE-3010395952 [1,1,0,0,0,0|2,0,0]=4 756 B11R0.40 CCCCCCCOC(=O)CC MCULE-6239287032 [1,1,0,0,0,0|2,0,0]=4 757 B11R0.40 CCCCCCCOC(=O)CCl MCULE-6089837080 [1,1,0,0,0,0|2,0,0]=4 758 B11R0.40 CCCCCCCOC(=O)CS MCULE-3304894936 [1,1,0,0,0,0|1,1,0]=4 759 B11R0.40 COC(=O)CCCCCCC#N MCULE-5476473532 [1,1,0,0,0,0|1,0,1]=4 760 B11R0.40 COC(=O)CCCCCCC=O MCULE-8693929860 [1,1,0,0,0,0|1,0,1]=4 761 B11R0.40 COC(=O)CCCCCCCBr MCULE-5537473467 [1,1,0,0,0,0|1,0,0]=3 762 B11R0.40 COC(=O)CCCCCCCCl MCULE-1981178961 [1,1,0,0,0,0|1,0,0]=3 763 B11R0.40 COC(=O)CCCCCCCN MCULE-3361449332 [1,1,0,0,0,0|1,0,0]=3 764 B11R0.40 COC(=O)CCCCCCCN MCULE-5266446188 [1,1,0,0,0,0|1,0,0]=3 765 B11R0.40 COC(=O)CCCCCCCO MCULE-4577508073 [1,1,0,0,0,0|1,0,0]=3 766 B11R0.40 COCCCNCCC(=O)OC MCULE-4020268298 [1,1,0,0,0,0|2,0,0]=4 767 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-1162188913 [1,1,0,0,0,0|0,0,2]=4 768 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-3131667346 [1,1,0,0,0,0|0,0,2]=4 769 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-4888632865 [1,1,0,0,0,0|0,0,2]=4 770 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-5391769158 [1,1,0,0,0,0|0,0,2]=4 771 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-5861402789 [1,1,0,0,0,0|0,0,2]=4 772 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-8081984411 [1,1,0,0,0,0|0,0,2]=4 773 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-8137198974 [1,1,0,0,0,0|0,0,2]=4 774 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-1233544353 [1,1,0,0,0,0|0,0,2]=4 775 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-3790089576 [1,1,0,0,0,0|0,0,2]=4 776 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-8748986273 [1,1,0,0,0,0|0,0,2]=4 777 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-9105977293 [1,1,0,0,0,0|0,0,2]=4 778 B11R0.42 CCCCCCCC(C)C(=O)C MCULE-1764436007 [1,1,0,0,0,0|1,0,0]=3 779 B11R0.42 CCCCCCCC(C)C(=O)O MCULE-1400601550 [1,1,0,0,0,0|0,0,0]=2 780 B11R0.42 CCCCCCCC(N)C(=O)O MCULE-4518631723 [1,1,0,0,0,0|0,0,0]=2 781 B11R0.42 CCCCCCC[C@@H](N)C(=O)O MCULE-7367412741 [1,1,0,0,0,0|0,0,0]=2 782 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4025079053 [1,1,0,0,0,0|0,0,0]=2 783 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4061410149 [1,1,0,0,0,0|0,0,0]=2 784 B11R0.42 CCCCCCOC(C)C(=O)O MCULE-5771954047 [1,1,0,0,0,0|1,0,0]=3 785 B11R0.42 CCCCSCCC(N)C(=O)O MCULE-9943276345 [1,1,0,0,0,0|1,0,0]=3 786 B11R0.42 CCCCSCC[C@@H](N)C(=O)O MCULE-5947369888 [1,1,0,0,0,0|1,0,0]=3 787 B11R0.42 CCCCSCC[C@H](N)C(=O)O MCULE-6636715475 [1,1,0,0,0,0|1,0,0]=3 788 B11R0.42 CCOCCNCC(C)C(=O)O MCULE-1411337428 [1,1,0,0,0,0|2,0,0]=4 789 B11R0.42 CCOCCNCC(C)C(=O)O MCULE-9110675077 [1,1,0,0,0,0|2,0,0]=4 790 B11R0.46 C=C(C)CCC(C)CCCCC MCULE-6425071148 [1,1,0,0,0,0|2,0,0]=4 791 B11R0.46 CCCCCC(=O)CCC(=O)O MCULE-5964650416 [1,1,0,0,0,0|0,0,1]=3 792 B11R0.46 CCCCCC(=O)NCC(=O)O MCULE-3960557642 [1,1,0,0,0,0|1,0,1]=4 793 B11R0.46 CCCCCC(C)CCC(=O)O MCULE-3703948906 [1,1,0,0,0,0|0,0,0]=2 794 B11R0.46 CCCCCC(O)/C=C/C(=O)O MCULE-9091234698 [1,1,0,0,0,0|0,0,2]=4 795 B11R0.46 CCCCCC(O)C=CC(=O)O MCULE-5393476184 [1,1,0,0,0,0|0,0,2]=4 796 B11R0.46 CCCCCC(O)CCC(=O)N MCULE-6288630989 [1,1,0,0,0,0|1,0,0]=3 797 B11R0.46 CCCCCN(C)CCC(=O)O MCULE-4617741875 [1,1,0,0,0,0|1,0,0]=3 798 B11R0.46 CCCCCN(C)CCC(=O)O MCULE-9023573702 [1,1,0,0,0,0|1,0,0]=3 799 B11R0.46 CCCCNC(=O)CCC(=O)O MCULE-8929331080 [1,1,0,0,0,0|1,0,1]=4 800 B11R0.111 CCC(=O)CCCCCC(=O)O MCULE-8603570043 [1,1,0,0,0,0|0,0,1]=3 801 B11R0.111 CCC(C)CCCCCC(=O)O MCULE-5195758876 [1,1,0,0,0,0|0,0,0]=2 802 B11R0.111 COC(=O)CCCCCC(=O)O MCULE-7307151830 [1,1,0,0,0,0|1,0,1]=4 803 B11R0.111 O=C(O)CCCSCC(O)CO MCULE-6771933903 [1,1,0,0,0,0|2,0,0]=4 804 B11R0.147 CCCCC(=O)CCCC(=O)O MCULE-4828153043 [1,1,0,0,0,0|0,0,1]=3 805 B11R0.147 CCCCC(C)CCCC(=O)O MCULE-8642965123 [1,1,0,0,0,0|0,0,0]=2 806 B11R0.147 CCCNC(=O)CCCC(=O)O MCULE-5121990390 [1,1,0,0,0,0|1,0,1]=4 807 B11R0.159 CCCCCCCCP(=O)(Cl)Cl MCULE-8094082819 [1,1,0,0,0,0|2,0,0]=4 808 B11R0.159 CCCCCCCCP(=O)(O)O MCULE-2397771742 [1,1,0,0,0,0|1,0,0]=3 809 B11R0.159 CCCCCCCCS(=O)(=O)Cl MCULE-7906722324 [1,1,0,0,0,0|1,0,1]=4 810 B11R0.159 CCCCCCCCS(=O)(=O)N MCULE-8276362302 [1,1,0,0,0,0|1,0,1]=4 811 B11R0.159 CCCCCCCCS(=O)(=O)O MCULE-2083628454 [1,1,0,0,0,0|1,0,0]=3 812 B11R0.159 CCCCCCCCS(=O)(=O)[O-] MCULE-9017426987 [1,1,0,0,0,0|1,0,1]=4 813 B11R0.159 CCCCCCCOS(=O)(=O)O MCULE-8923295424 [1,1,0,0,0,0|2,0,0]=4 814 B11R0.176 CCCC(=O)CCCCC(=O)O MCULE-8623857142 [1,1,0,0,0,0|0,0,1]=3 815 B11R0.176 CCOC(=O)CCCCC(=O)O MCULE-2798201385 [1,1,0,0,0,0|1,0,1]=4 816 B11R0.176 O=C(O)CCCCC(Cl)CCCl MCULE-3578422199 [1,1,0,0,0,0|1,0,0]=3 817 B11R0.176 O=C(O)CCCCC(O)CCO MCULE-6457534836 [1,1,0,0,0,0|1,0,0]=3 818 B11R0.176 O=C(O)CCCCC(S)CCS MCULE-3176735035 [1,1,0,0,0,0|1,0,0]=3 819 B11R0.176 O=C(O)CCCC[C@@H](S)CCS MCULE-1048565718 [1,1,0,0,0,0|1,0,0]=3 820 B11R0.3 BrCCCCCCCCCCBr MCULE-6596890795 [1,1,0,0,0,0|1,0,1]=4 821 B11R0.3 C#CCCCCCCCCCBr MCULE-7590250790 [1,1,0,0,0,0|1,0,1]=4 822 B11R0.3 C#CCCCCCCCCCC MCULE-8413126831 [1,1,0,0,0,0|1,0,1]=4 823 B11R0.3 C#CCCCCCCCCCO MCULE-5387959646 [1,1,0,0,0,0|0,0,2]=4 824 B11R0.3 C=CCCCCCCCCC=C MCULE-6018522624 [1,1,0,0,0,0|1,0,1]=4 825 B11R0.3 C=CCCCCCCCCC=O MCULE-2748563286 [1,1,0,0,0,0|0,0,1]=3 826 B11R0.3 C=CCCCCCCCCCBr MCULE-3292244728 [1,1,0,0,0,0|1,0,0]=3 827 B11R0.3 C=CCCCCCCCCCC MCULE-4843306057 [1,1,0,0,0,0|1,0,0]=3 828 B11R0.3 C=CCCCCCCCCCCl MCULE-9014492464 [1,1,0,0,0,0|1,0,0]=3 829 B11R0.3 C=CCCCCCCCCCN MCULE-7839357621 [1,1,0,0,0,0|1,0,0]=3 830 B11R0.3 C=CCCCCCCCCCO MCULE-8086496729 [1,1,0,0,0,0|1,0,0]=3 831 B11R0.3 C=CCOCCCCCCCC MCULE-6446691340 [1,1,0,0,0,0|1,0,0]=3 832 B11R0.3 CC#CCCCCCCCCO MCULE-5846426924 [1,1,0,0,0,0|0,0,2]=4 833 B11R0.3 CCCCCCC=CCCC=O MCULE-4819548256 [1,1,0,0,0,0|0,0,1]=3 834 B11R0.3 CCCCCCCCC=CC=O MCULE-3569381965 [1,1,0,0,0,0|0,0,1]=3 835 B11R0.3 CCCCCCCCC=CCO MCULE-3768375215 [1,1,0,0,0,0|0,0,1]=3 836 B11R0.3 CCCCCCCCCCC#N MCULE-7957242645 [1,1,0,0,0,0|1,0,1]=4 837 B11R0.3 CCCCCCCCCCC=O MCULE-2842613213 [1,1,0,0,0,0|0,0,0]=2 838 B11R0.3 CCCCCCCCCCCBr MCULE-1007413186 [1,1,0,0,0,0|1,0,1]=4 839 B11R0.3 CCCCCCCCCCCC MCULE-3947157412 [1,1,0,0,0,0|1,0,1]=4 840 B11R0.3 CCCCCCCCCCCCl MCULE-9378407763 [1,1,0,0,0,0|1,0,1]=4 841 B11R0.3 CCCCCCCCCCCI MCULE-2947342202 [1,1,0,0,0,0|1,0,1]=4 842 B11R0.3 CCCCCCCCCCCN MCULE-7249870518 [1,1,0,0,0,0|1,0,1]=4 843 B11R0.3 CCCCCCCCCCCO MCULE-9897986150 [1,1,0,0,0,0|0,0,1]=3 844 B11R0.3 CCCCCCCCCCCS MCULE-6868324316 [1,1,0,0,0,0|0,1,1]=4 845 B11R0.3 CCCCCCCCCCNC MCULE-1416369118 [1,1,0,0,0,0|1,0,1]=4 846 B11R0.3 CCCCCCCCCCNC MCULE-6168905746 [1,1,0,0,0,0|1,0,1]=4 847 B11R0.3 CCCCCCCCCCOC MCULE-1264379510 [1,1,0,0,0,0|0,0,1]=3 848 B11R0.3 CCCCCCCCCCON MCULE-2069797576 [1,1,0,0,0,0|0,0,1]=3 849 B11R0.3 CCCCCCCCCCON MCULE-7830749583 [1,1,0,0,0,0|0,0,1]=3 850 B11R0.3 CCCCCCCCCCSC MCULE-7334657081 [1,1,0,0,0,0|0,1,1]=4 851 B11R0.3 CCCCCCCCCN=C=S MCULE-1076001046 [1,1,0,0,0,0|0,1,1]=4 852 B11R0.3 CCCCCCCCCN=N#N MCULE-3134047425 [1,1,0,0,0,0|2,0,0]=4 853 B11R0.3 CCCCCCCCCNCC MCULE-2932168769 [1,1,0,0,0,0|1,0,1]=4 854 B11R0.3 CCCCCCCCCOC=O MCULE-1616501735 [1,1,0,0,0,0|0,0,0]=2 855 B11R0.3 CCCCCCCCCSCC MCULE-6635551100 [1,1,0,0,0,0|1,0,1]=4 856 B11R0.3 CCCCCCCCNCCC MCULE-8531662839 [1,1,0,0,0,0|1,0,1]=4 857 B11R0.3 CCCCCCCCNCCN MCULE-7559905889 [1,1,0,0,0,0|1,0,1]=4 858 B11R0.3 CCCCCCCCNCCO MCULE-7874582103 [1,1,0,0,0,0|0,0,1]=3 859 B11R0.3 CCCCCCCCOCCCl MCULE-7562352297 [1,1,0,0,0,0|1,0,1]=4 860 B11R0.3 CCCCCCCCOCCN MCULE-8451506183 [1,1,0,0,0,0|1,0,1]=4 861 B11R0.3 CCCCCCCCOCCN MCULE-9814984146 [1,1,0,0,0,0|1,0,1]=4 862 B11R0.3 CCCCCCCCOCCO MCULE-9752110999 [1,1,0,0,0,0|0,0,1]=3 863 B11R0.3 CCCCCCCCSCC#N MCULE-7369043498 [1,1,0,0,0,0|1,0,1]=4 864 B11R0.3 CCCCCCCCSCCN MCULE-5010227243 [1,1,0,0,0,0|1,0,1]=4 865 B11R0.3 CCCCCCCCSCCO MCULE-6587527936 [1,1,0,0,0,0|0,0,1]=3 866 B11R0.3 CCCCCCCCSCCS MCULE-1947094413 [1,1,0,0,0,0|0,1,1]=4 867 B11R0.3 CCCCCCCNCCC#N MCULE-6001009722 [1,1,0,0,0,0|1,0,1]=4 868 B11R0.3 CCCCCCCNCCCC MCULE-4951242533 [1,1,0,0,0,0|1,0,1]=4 869 B11R0.3 CCCCCCCNCCCN MCULE-8536785750 [1,1,0,0,0,0|1,0,1]=4 870 B11R0.3 CCCCCCCNCCCO MCULE-1187615586 [1,1,0,0,0,0|0,0,1]=3 871 B11R0.3 CCCCCCNCCCOC MCULE-6742672078 [1,1,0,0,0,0|1,0,1]=4 872 B11R0.3 CCCCCC[NH2+]CCCCCl MCULE-2636909425 [1,1,0,0,0,0|1,0,1]=4 873 B11R0.3 CCCCCC[NH2+]CCCCCl MCULE-7512641705 [1,1,0,0,0,0|1,0,1]=4 874 B11R0.3 CCCCCSCCOCCO MCULE-1471152415 [1,1,0,0,0,0|1,0,1]=4 875 B11R0.3 CCOCCCCCCCCO MCULE-8839640265 [1,1,0,0,0,0|0,0,1]=3 876 B11R0.3 CNCCCCCCCCNC MCULE-2607021323 [1,1,0,0,0,0|2,0,0]=4 877 B11R0.3 COCCCCCCCCC=O MCULE-4530790122 [1,1,0,0,0,0|0,0,0]=2 878 B11R0.3 COCCCCCCCCCBr MCULE-8740247574 [1,1,0,0,0,0|1,0,1]=4 879 B11R0.3 COCCCCCCCCCN MCULE-5428647902 [1,1,0,0,0,0|1,0,1]=4 880 B11R0.3 COCCCCCCCCCO MCULE-5483027656 [1,1,0,0,0,0|0,0,1]=3 881 B11R0.3 COCCCCCCCCOC MCULE-6292448161 [1,1,0,0,0,0|1,0,1]=4 882 B11R0.3 COCCOCCOCCC=O MCULE-7456622874 [1,1,0,0,0,0|2,0,0]=4 883 B11R0.3 ClCCCCCCCCCCCl MCULE-1936281020 [1,1,0,0,0,0|1,0,1]=4 884 B11R0.3 FCCCCCCCCCCBr MCULE-2498226293 [1,1,0,0,0,0|1,0,1]=4 885 B11R0.3 FCCCCCCCCCCCl MCULE-6086093448 [1,1,0,0,0,0|1,0,1]=4 886 B11R0.3 FCCCCCCCCCCF MCULE-7992467849 [1,1,0,0,0,0|1,0,1]=4 887 B11R0.3 ICCCCCCCCCCI MCULE-9838407052 [1,1,0,0,0,0|1,0,1]=4 888 B11R0.3 NCCCCCCCCCCBr MCULE-2910198089 [1,1,0,0,0,0|1,0,1]=4 889 B11R0.3 NCCCCCCCCCCBr MCULE-9466370190 [1,1,0,0,0,0|1,0,1]=4 890 B11R0.3 NCCCCCCCCCCN MCULE-8635244158 [1,1,0,0,0,0|1,0,1]=4 891 B11R0.3 NCCCCCCCCCCO MCULE-6627355175 [1,1,0,0,0,0|0,0,1]=3 892 B11R0.3 NCCCCCCOCCCO MCULE-2806447363 [1,1,0,0,0,0|1,0,1]=4 893 B11R0.3 O=CCCCCCCCCCBr MCULE-3317881097 [1,1,0,0,0,0|0,0,0]=2 894 B11R0.3 OCCCCCCCCCCBr MCULE-9238949531 [1,1,0,0,0,0|0,0,1]=3 895 B11R0.3 OCCCCCCCCCCCl MCULE-7857761317 [1,1,0,0,0,0|0,0,1]=3 896 B11R0.3 OCCCCCCCCCCF MCULE-6916719760 [1,1,0,0,0,0|0,0,1]=3 897 B11R0.3 OCCCCCCCCCCO MCULE-3187467810 [1,1,0,0,0,0|0,0,1]=3 898 B11R0.3 SCCCCCCCCCCS MCULE-7368208629 [1,1,0,0,0,0|0,1,1]=4 899 B11R0.3 [NH2+](CCCC)CCCCCCC MCULE-5696674484 [1,1,0,0,0,0|1,0,1]=4 900 B11R0.4 C=CCC(C)CCCCCCC MCULE-9517976108 [1,1,0,0,0,0|1,0,0]=3 901 B11R0.4 CCCCCCCC(C)N=C=O MCULE-4548041791 [1,1,0,0,0,0|1,0,1]=4 902 B11R0.4 CCCCCCCC(O)CCC MCULE-3007528112 [1,1,0,0,0,0|1,0,1]=4 903 B11R0.4 CCCCCCC[C@H](C)N=C=O MCULE-3759555717 [1,1,0,0,0,0|1,0,1]=4 904 B11R0.4 CCOC(=O)CCCCCC=O MCULE-8029913259 [1,1,0,0,0,0|1,0,1]=4 905 B11R0.81 CCCCCCC(C)OCCO MCULE-2974953071 [1,1,0,0,0,0|1,0,1]=4 906 B11R0.81 CCCCCCC(O)CCCC MCULE-1549907527 [1,1,0,0,0,0|1,0,1]=4 907 B11R0.81 CCCCS(=O)CCCCCO MCULE-1757503463 [1,1,0,0,0,0|1,0,1]=4 908 B11R0.140 CCCCCC(N)CCCCC MCULE-7357551566 [1,1,0,0,0,0|1,0,1]=4 909 B11R0.140 CCCCCC(O)CCCCC MCULE-6556320478 [1,1,0,0,0,0|1,0,1]=4 910 B13R0.62 CCCCCCCC(CC)CC(=O)O MCULE-4822120730 [0,2,0,0,0,0|0,0,0]=2 911 B13R0.274 CCCCCCCC(O)CC(=O)OC MCULE-2537921032 [0,2,0,0,0,0|0,0,0]=2 912 B13R0.274 CCCCCCC[C@@H](O)CC(=O)OC MCULE-4586199421 [0,2,0,0,0,0|0,0,0]=2 913 B13R0.274 CCCCCCC[C@@H](O)CC(=O)OC MCULE-7045432024 [0,2,0,0,0,0|0,0,0]=2 914 B13R0.274 CCCCCCNC(C)CC(=O)OC MCULE-2373355014 [0,2,0,0,0,0|1,0,0]=3 915 B13R0.274 CCOCCCNC(C)CC(=O)OC MCULE-4407072193 [0,2,0,0,0,0|2,0,0]=4 916 B13R0.333 CCCCCC(O)CC(O)CC(=O)O MCULE-5571258641 [0,2,0,0,0,0|0,0,0]=2 917 B13R0.333 CCCCC[C@@H](O)C[C@@H](O)CC(=O)O MCULE-9093008429 [0,2,0,0,0,0|0,0,0]=2 918 B13R0.335 C=C(C)CC(C)CCCCCCCC MCULE-5619106321 [0,2,0,0,0,0|2,0,0]=4 919 B13R0.335 CC(CCCCCCCN)CC(=O)O MCULE-2748735108 [0,2,0,0,0,0|0,0,0]=2 920 B13R0.335 CC(CCCCCCCN)CC(=O)O MCULE-8926877324 [0,2,0,0,0,0|0,0,0]=2 921 B13R0.335 CCCCCCCCC(C)CC(=O)O MCULE-1071013190 [0,2,0,0,0,0|0,0,0]=2 922 B13R0.335 CCCCCCCCC(O)CC(=O)O MCULE-3464929288 [0,2,0,0,0,0|0,0,0]=2 923 B13R0.335 CCCCCCCOC(=O)CC(=O)C MCULE-3029543829 [0,2,0,0,0,0|1,0,1]=4 924 B13R0.712 C=C(C)CC(C)(C)CCCCCCC MCULE-2759006723 [0,2,0,0,0,0|2,0,0]=4 925 B13R0.188 CCCCCC(=O)CCCCC(=O)O MCULE-9827668199 [0,2,0,0,0,0|0,0,0]=2 926 B13R0.188 O=C(O)CCCCC(=O)NCCCO MCULE-9184410961 [0,2,0,0,0,0|1,0,1]=4 927 B13R0.280 CCCCCCCCCCP(=O)(C)C MCULE-7993897252 [0,2,0,0,0,0|2,0,0]=4 928 B13R0.280 CCCCCCCCCCP(=O)(O)O MCULE-1652235001 [0,2,0,0,0,0|1,0,0]=3 929 B13R0.280 CCCCCCCCCCS(=O)(=O)Cl MCULE-6241290151 [0,2,0,0,0,0|1,0,1]=4 930 B13R0.280 CCCCCCCCCCS(=O)(=O)N MCULE-9253411450 [0,2,0,0,0,0|1,0,1]=4 931 B13R0.280 CCCCCCCCCCS(=O)(=O)O MCULE-1242262217 [0,2,0,0,0,0|1,0,0]=3 932 B13R0.280 CCCCCCCCCCS(=O)(=O)[O-] MCULE-7783749388 [0,2,0,0,0,0|1,0,1]=4 933 B13R0.1215 C#CC(C)(O)CCCCCCCCC MCULE-6195266277 [0,2,0,0,0,0|1,0,1]=4 934 B13R0.1215 CCCCCCCCCS(=O)(=O)NN MCULE-1193670982 [0,2,0,0,0,0|1,0,1]=4 935 B13R0.88 CCCC(=O)CCCCCCC(=O)O MCULE-7655272143 [0,2,0,0,0,0|0,0,0]=2 936 B13R0.88 CCOC(=O)CCCCCCC(=O)O MCULE-5379886661 [0,2,0,0,0,0|0,0,1]=3 937 B13R0.180 CC(C)C(=O)CCCCCCC(=O)O MCULE-7886858957 [0,2,0,0,0,0|0,0,1]=3 938 B13R0.201 CCC(C)CCCCCCC(=O)OC MCULE-5985049144 [0,2,0,0,0,0|0,0,0]=2 939 B13R0.201 COC(=O)CCCCCCC(=O)OC MCULE-3000822003 [0,2,0,0,0,0|1,0,1]=4 940 B13R0.204 CCC(=O)NCCCCC(N)C(=O)O MCULE-1055431872 [0,2,0,0,0,0|1,0,1]=4 941 B13R0.204 CCC(=O)NCCCCC(N)C(=O)O MCULE-9001314161 [0,2,0,0,0,0|1,0,1]=4 942 B13R0.204 CCC(=O)NCCCC[C@H](N)C(=O)O MCULE-3127074319 [0,2,0,0,0,0|1,0,1]=4 943 B13R0.291 CCS(=O)(=O)CCCCCCC(=O)O MCULE-9789044666 [0,2,0,0,0,0|1,0,0]=3 944 B13R0.291 CCS(=O)(=O)NCCCCCC(=O)O MCULE-9557751490 [0,2,0,0,0,0|2,0,0]=4 945 B13R0.1 CCCCCCC(=O)CCCC(=O)O MCULE-4056750992 [0,2,0,0,0,0|0,0,0]=2 946 B13R0.1 CCCCCCC(O)CCCC(=O)O MCULE-1012275180 [0,2,0,0,0,0|0,0,0]=2 947 B13R0.339 CCCCNC(=O)CCC(N)C(=O)O MCULE-5070977776 [0,2,0,0,0,0|1,0,1]=4 948 B13R0.1398 C=C(C)CCCC(C)CCCC(C)C MCULE-6726471243 [0,2,0,0,0,0|2,0,0]=4 949 B13R0.1398 CC(=O)CCCC(C)CCCC(C)C MCULE-9615640256 [0,2,0,0,0,0|1,0,0]=3 950 B13R0.1398 CC(C)CCCC(C)CCCC(=O)O MCULE-2954801094 [0,2,0,0,0,0|0,0,0]=2 951 B13R0.1398 CC(C)CCNC(=O)CCCC(=O)O MCULE-2318057712 [0,2,0,0,0,0|1,0,1]=4 952 B13R0.54 C#CCCCCCCCCCC(=O)O MCULE-3493346393 [0,2,0,0,0,0|0,0,0]=2 953 B13R0.54 C(=CCCCCOC(=O)C)CCCC MCULE-1642216097 [0,2,0,0,0,0|1,0,1]=4 954 B13R0.54 C=C(C)CCCCCCCCCCC MCULE-6486590493 [0,2,0,0,0,0|2,0,0]=4 955 B13R0.54 C=CCCCCCCCCCC(=C)C MCULE-9813642699 [0,2,0,0,0,0|2,0,0]=4 956 B13R0.54 C=CCCCCCCCCCC(=O)C MCULE-5730123957 [0,2,0,0,0,0|1,0,0]=3 957 B13R0.54 C=CCCCCCCCCCC(=O)O MCULE-6330367894 [0,2,0,0,0,0|0,0,0]=2 958 B13R0.54 C=CCCCCCCCCCN(=O)=O MCULE-7314787792 [0,2,0,0,0,0|1,0,1]=4 959 B13R0.54 C=CCCCCCCCCOC(=O)C MCULE-3987813819 [0,2,0,0,0,0|1,0,1]=4 960 B13R0.54 CCCC/C=C\CCCCOC(=O)C MCULE-9938541488 [0,2,0,0,0,0|1,0,1]=4 961 B13R0.54 CCCCCC/C=C\CCCC(=O)O MCULE-9454929405 [0,2,0,0,0,0|0,0,0]=2 962 B13R0.54 CCCCCCC=CCCCC(=O)O MCULE-1299148519 [0,2,0,0,0,0|0,0,0]=2 963 B13R0.54 CCCCCCCC=CCOC(=O)C MCULE-7547263092 [0,2,0,0,0,0|1,0,1]=4 964 B13R0.54 CCCCCCCCC/C=C/C(=O)O MCULE-8068052432 [0,2,0,0,0,0|0,0,0]=2 965 B13R0.54 CCCCCCCCCC=CC(=O)O MCULE-5397880976 [0,2,0,0,0,0|0,0,0]=2 966 B13R0.54 CCCCCCCCCCCC(=N)N MCULE-2355708247 [0,2,0,0,0,0|2,0,0]=4 967 B13R0.54 CCCCCCCCCCCC(=O)C MCULE-9311016763 [0,2,0,0,0,0|1,0,0]=3 968 B13R0.54 CCCCCCCCCCCC(=O)Cl MCULE-9866142193 [0,2,0,0,0,0|1,0,0]=3 969 B13R0.54 CCCCCCCCCCCC(=O)N MCULE-2324074583 [0,2,0,0,0,0|1,0,0]=3 970 B13R0.54 CCCCCCCCCCCC(=O)O MCULE-2795129925 [0,2,0,0,0,0|0,0,0]=2 971 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-4306276668 [0,2,0,0,0,0|0,0,1]=3 972 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-5989799433 [0,2,0,0,0,0|0,0,1]=3 973 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-7873290711 [0,2,0,0,0,0|0,0,1]=3 974 B13R0.54 CCCCCCCCCCCC(=O)[O-] MCULE-8752609733 [0,2,0,0,0,0|0,0,1]=3 975 B13R0.54 CCCCCCCCCCCC(C)O MCULE-3181779723 [0,2,0,0,0,0|1,0,1]=4 976 B13R0.54 CCCCCCCCCCCN(=O)=O MCULE-4760203332 [0,2,0,0,0,0|1,0,1]=4 977 B13R0.54 CCCCCCCCCCNC(=O)N MCULE-8422314743 [0,2,0,0,0,0|1,0,0]=3 978 B13R0.54 CCCCCCCCCCNC(=S)N MCULE-1226316897 [0,2,0,0,0,0|1,1,0]=4 979 B13R0.54 CCCCCCCCCCOC(=O)C MCULE-7452399897 [0,2,0,0,0,0|1,0,0]=3 980 B13R0.54 CCCCCCCCCCOC(=O)Cl MCULE-8601514194 [0,2,0,0,0,0|1,0,0]=3 981 B13R0.54 CCCCCCCCCCOC(=S)[S-] MCULE-8121799109 [0,2,0,0,0,0|0,2,0]=4 982 B13R0.54 CCCCCCCCCCOC(=S)[S-] MCULE-8750716716 [0,2,0,0,0,0|0,2,0]=4 983 B13R0.54 CCCCCCCCOCCC(=O)O MCULE-1079344518 [0,2,0,0,0,0|0,0,0]=2 984 B13R0.54 CCCCCCCCSCCC(=O)N MCULE-3514095129 [0,2,0,0,0,0|1,0,0]=3 985 B13R0.54 CCCCCCCCSCCC(=O)O MCULE-4405987007 [0,2,0,0,0,0|0,0,0]=2 986 B13R0.54 CCCCCCCCSCCC(=O)[O-] MCULE-2242790491 [0,2,0,0,0,0|0,0,1]=3 987 B13R0.54 CCCCCNCCCCCC(=O)O MCULE-7344928222 [0,2,0,0,0,0|0,0,0]=2 988 B13R0.54 CCCCOCCOCCOC(=O)C MCULE-7207932009 [0,2,0,0,0,0|2,0,0]=4 989 B13R0.54 CCCCSCCCCCCC(=O)O MCULE-8131072528 [0,2,0,0,0,0|0,0,0]=2 990 B13R0.54 COCCOCCOCCCC(=O)O MCULE-5833620933 [0,2,0,0,0,0|1,0,0]=3 991 B13R0.54 N#N=NCCCCCCCCC(=O)O MCULE-9217828089 [0,2,0,0,0,0|1,0,0]=3 992 B13R0.54 NC(=O)CCCCCCCCCCBr MCULE-6636357331 [0,2,0,0,0,0|1,0,0]=3 993 B13R0.54 NCCCCCCCCCCC(=O)O MCULE-1751028538 [0,2,0,0,0,0|0,0,0]=2 994 B13R0.54 NCCCCCCCCCCC(=O)[O-] MCULE-8171823933 [0,2,0,0,0,0|0,0,1]=3 995 B13R0.54 NCCOCCOCCOCC(=O)O MCULE-5118467915 [0,2,0,0,0,0|2,0,0]=4 996 B13R0.54 O=C(Cl)CCCCCCCCCCBr MCULE-9607447068 [0,2,0,0,0,0|1,0,0]=3 997 B13R0.54 O=C(O)CCCCCCC/C=C/CO MCULE-9542952039 [0,2,0,0,0,0|0,0,1]=3 998 B13R0.54 O=C(O)CCCCCCCCC#CBr MCULE-4630465471 [0,2,0,0,0,0|0,0,1]=3 999 B13R0.54 O=C(O)CCCCCCCCCCBr MCULE-9911407009 [0,2,0,0,0,0|0,0,0]=2 1000 B13R0.54 O=C(O)CCCCCCCCCCCl MCULE-7412307649 [0,2,0,0,0,0|0,0,0]=2 1001 B13R0.54 O=C(O)CCCCCCCCCCO MCULE-8232897652 [0,2,0,0,0,0|0,0,0]=2 1002 B13R0.54 O=C(O)CCCCCCCCCCS MCULE-9528951895 [0,2,0,0,0,0|0,0,0]=2 1003 B13R0.54 O=C(O)CCCCCCCCCOO MCULE-9572784167 [0,2,0,0,0,0|0,0,0]=2 1004 B13R0.54 O=C(O)COCCOCCOCCBr MCULE-1177920971 [0,2,0,0,0,0|2,0,0]=4 1005 B13R0.54 O=C(O)COCCOCCOCCCl MCULE-4995186473 [0,2,0,0,0,0|2,0,0]=4 1006 B13R0.54 O=C(O)COCCOCCOCCO MCULE-6493597298 [0,2,0,0,0,0|2,0,0]=4 1007 B13R0.54 O=N(=O)CCCCCCCCCCBr MCULE-8717758522 [0,2,0,0,0,0|1,0,1]=4 1008 B13R0.54 O=N(=O)CCCCCCCCCCO MCULE-1367838470 [0,2,0,0,0,0|1,0,1]=4 1009 B13R0.119 CCCCC(=O)CCCCCC(=O)O MCULE-7182880008 [0,2,0,0,0,0|0,0,0]=2 1010 B13R0.147 C#CCCCCCCCCC(=O)NO MCULE-1776052395 [0,2,0,0,0,0|0,0,1]=3 1011 B13R0.147 C#CCCCCCCCCC(=O)OC MCULE-3643245325 [0,2,0,0,0,0|0,0,1]=3 1012 B13R0.147 C=CC(=O)OCCCCCCCCC MCULE-7661811427 [0,2,0,0,0,0|1,0,0]=3 1013 B13R0.147 C=CCCCCCCCCC(=O)NN MCULE-1975489838 [0,2,0,0,0,0|1,0,1]=4 1014 B13R0.147 C=CCCCCCCCCC(=O)NO MCULE-4384177401 [0,2,0,0,0,0|0,0,1]=3 1015 B13R0.147 C=CCCCCCCCCC(=O)OC MCULE-5551120975 [0,2,0,0,0,0|0,0,1]=3 1016 B13R0.147 CCCCCCC/C=C/CC(=O)CC MCULE-1079348180 [0,2,0,0,0,0|1,0,1]=4 1017 B13R0.147 CCCCCCCCC#CC(=O)OC MCULE-6573014150 [0,2,0,0,0,0|0,0,1]=3 1018 B13R0.147 CCCCCCCCCCC(=N)NO MCULE-8351830126 [0,2,0,0,0,0|1,0,0]=3 1019 B13R0.147 CCCCCCCCCCC(=O)NN MCULE-5566881162 [0,2,0,0,0,0|1,0,0]=3 1020 B13R0.147 CCCCCCCCCCC(=O)OC MCULE-4524637821 [0,2,0,0,0,0|0,0,0]=2 1021 B13R0.147 CCCCCCCCCCC(C)C=O MCULE-1597303567 [0,2,0,0,0,0|1,0,1]=4 1022 B13R0.147 CCCCCCCCCCC(C)CO MCULE-5502474074 [0,2,0,0,0,0|1,0,1]=4 1023 B13R0.147 CCCCCCCCCCC(O)CN MCULE-5193471557 [0,2,0,0,0,0|1,0,1]=4 1024 B13R0.147 CCCCCCCCCCC(O)CO MCULE-2615675340 [0,2,0,0,0,0|0,0,2]=4 1025 B13R0.147 CCCCCCCCCCC([NH3+])CO MCULE-5249425084 [0,2,0,0,0,0|1,0,1]=4 1026 B13R0.147 CCCCCCCCCCC([NH3+])CO MCULE-6389413958 [0,2,0,0,0,0|1,0,1]=4 1027 B13R0.147 CCCCCCCCCC[C@@H](O)CO MCULE-6042369532 [0,2,0,0,0,0|0,0,2]=4 1028 B13R0.147 CCCCCCCCCC[C@H](O)CO MCULE-1604714068 [0,2,0,0,0,0|0,0,2]=4 1029 B13R0.147 CCCCCCCCCNC(=O)CCl MCULE-5058546046 [0,2,0,0,0,0|1,0,0]=3 1030 B13R0.147 CCCCCCCCOCC(O)CCl MCULE-3663457425 [0,2,0,0,0,0|1,0,1]=4 1031 B13R0.147 CCCCCCCCOCC(O)CO MCULE-3516482068 [0,2,0,0,0,0|0,0,2]=4 1032 B13R0.147 CCCCCCCNCCC(=O)NC MCULE-6698644143 [0,2,0,0,0,0|1,0,0]=3 1033 B13R0.147 CCCCCCCNCCC(=O)NN MCULE-6182063140 [0,2,0,0,0,0|1,0,0]=3 1034 B13R0.147 CCCCCCCNCCC(=O)OC MCULE-4012206227 [0,2,0,0,0,0|0,0,0]=2 1035 B13R0.147 COC(=O)CCCCCCCCC=O MCULE-9755822433 [0,2,0,0,0,0|0,0,1]=3 1036 B13R0.147 COC(=O)CCCCCCCCCBr MCULE-4125973468 [0,2,0,0,0,0|0,0,0]=2 1037 B13R0.147 COC(=O)CCCCCCCCCN MCULE-2996113147 [0,2,0,0,0,0|0,0,0]=2 1038 B13R0.147 COC(=O)CCCCCCCCCN MCULE-5692626711 [0,2,0,0,0,0|0,0,0]=2 1039 B13R0.147 COC(=O)CCCCCCCCCO MCULE-2254055588 [0,2,0,0,0,0|0,0,0]=2 1040 B13R0.147 NCCCCCCCCNC(=O)CBr MCULE-3488452736 [0,2,0,0,0,0|2,0,0]=4 1041 B13R0.150 C=C(C)C(=O)OCCCCCCCC MCULE-8155490272 [0,2,0,0,0,0|2,0,0]=4 1042 B13R0.150 CCCCCCCCCC(=O)N(C)C MCULE-9601486105 [0,2,0,0,0,0|1,0,0]=3 1043 B13R0.150 CCCCCCCCCC(C)C(=O)O MCULE-6924124828 [0,2,0,0,0,0|0,0,0]=2 1044 B13R0.150 CCCCCCCCCC(N)C(=O)O MCULE-2123708638 [0,2,0,0,0,0|0,0,0]=2 1045 B13R0.150 CCCCCCCCC[C@@H](N)C(=O)O MCULE-7136532768 [0,2,0,0,0,0|0,0,0]=2 1046 B13R0.150 CCCCCCCCOC(=O)C(C)C MCULE-6611613310 [0,2,0,0,0,0|2,0,0]=4 1047 B13R0.150 CN(C)C(=O)CCCCCCCCN MCULE-8937163414 [0,2,0,0,0,0|2,0,0]=4 1048 B13R0.150 CN(C)C(=O)CCCCCCCCN MCULE-9086226591 [0,2,0,0,0,0|2,0,0]=4 1049 B13R0.150 N[C@@H](CCCCNCCCO)C(=O)O MCULE-1769705869 [0,2,0,0,0,0|1,0,0]=3 1050 B13R0.150 [C@H](N)(CCCCCCCCC)C(=O)O MCULE-9801560462 [0,2,0,0,0,0|0,0,0]=2 1051 B13R0.154 CCCCCCCC(=O)CCC(=O)O MCULE-3369465256 [0,2,0,0,0,0|0,0,0]=2 1052 B13R0.154 CCCCCCCC(=O)NCC(=O)O MCULE-7832794516 [0,2,0,0,0,0|0,0,1]=3 1053 B13R0.154 CCCCCCCC(=O)NCC(=O)[O-] MCULE-9063422320 [0,2,0,0,0,0|0,0,2]=4 1054 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] MCULE-5105119706 [0,2,0,0,0,0|0,0,1]=3 1055 B13R0.154 CCCCCCCC(O)CCC(=O)[O-] MCULE-6637797878 [0,2,0,0,0,0|0,0,1]=3 1056 B13R0.154 CCCCCCNC(=O)CCC(=O)O MCULE-4928328474 [0,2,0,0,0,0|0,0,1]=3 1057 B13R0.154 COCCOCCN(C)CCC(=O)O MCULE-3096641479 [0,2,0,0,0,0|2,0,0]=4 1058 B13R0.154 COCCOCCN(C)CCC(=O)O MCULE-3437999892 [0,2,0,0,0,0|2,0,0]=4 1059 B13R0.179 CC(=O)CCCCCCCCC(=O)C MCULE-9381321030 [0,2,0,0,0,0|1,0,0]=3 1060 B13R0.179 CC(=O)CCCCCCCCC(=O)O MCULE-3207729356 [0,2,0,0,0,0|0,0,0]=2 1061 B13R0.179 CC(C)CCCCCCCCC(=O)O MCULE-3966843726 [0,2,0,0,0,0|0,0,0]=2 1062 B13R0.179 CC(N)CCCCCCCCC(=O)O MCULE-2236874517 [0,2,0,0,0,0|0,0,0]=2 1063 B13R0.179 CC(O)CCCC/C=C/CCC(=O)O MCULE-4184050410 [0,2,0,0,0,0|0,0,1]=3 1064 B13R0.179 NC(=O)CCCCCCCCC(=O)N MCULE-4459267910 [0,2,0,0,0,0|1,0,1]=4 1065 B13R0.179 NC(=O)CCCCCCCCC(=O)O MCULE-3812988206 [0,2,0,0,0,0|0,0,1]=3 1066 B13R0.179 NC(=O)CCCCCCCCC(=O)[O-] MCULE-9835231552 [0,2,0,0,0,0|0,0,2]=4 1067 B13R0.179 O=C(Cl)CCCCCCCCC(=O)Cl MCULE-1861027504 [0,2,0,0,0,0|1,0,1]=4 1068 B13R0.179 O=C(O)CCCCCCCCC(=O)O MCULE-3460494679 [0,2,0,0,0,0|0,0,1]=3 1069 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] MCULE-6225615294 [0,2,0,0,0,0|0,0,2]=4 1070 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] MCULE-8793407892 [0,2,0,0,0,0|0,0,2]=4 1071 B13R0.179 O=C([O-])CCCCCCCCC(=O)[O-] MCULE-9026337383 [0,2,0,0,0,0|0,0,2]=4 1072 B13R0.202 C=CC(=O)OCCCCCCC(C)C MCULE-2697557607 [0,2,0,0,0,0|2,0,0]=4 1073 B13R0.202 CCC(C)CCCCCCCC(=O)O MCULE-1986520602 [0,2,0,0,0,0|0,0,0]=2 1074 B13R0.202 COC(=O)CCCCCCCC(=O)O MCULE-2825137842 [0,2,0,0,0,0|0,0,1]=3 1075 B13R0.202 COC(=O)CCCCCCCC(C)C MCULE-3325371997 [0,2,0,0,0,0|0,0,0]=2 1076 B13R0.2 C(=CCCC(=O)OCC)CCCCC MCULE-7720982156 [0,2,0,0,0,0|0,0,2]=4 1077 B13R0.2 C=CCCCCCCCC(=O)OCC MCULE-7330309912 [0,2,0,0,0,0|0,0,2]=4 1078 B13R0.2 C=COC(=O)CCCCCCCCC MCULE-6857715884 [0,2,0,0,0,0|0,0,0]=2 1079 B13R0.2 CCCCC/C=C/CCC(=O)OCC MCULE-2528964118 [0,2,0,0,0,0|0,0,2]=4 1080 B13R0.2 CCCCCCC/C=C/C(=O)OCC MCULE-9821388261 [0,2,0,0,0,0|0,0,2]=4 1081 B13R0.2 CCCCCCCC=CC(=O)OCC MCULE-8496462023 [0,2,0,0,0,0|0,0,2]=4 1082 B13R0.2 CCCCCCCCC/C(=C/CBr)/C MCULE-3162465870 [0,2,0,0,0,0|2,0,0]=4 1083 B13R0.2 CCCCCCCCCC(=O)CCC MCULE-7843912102 [0,2,0,0,0,0|1,0,0]=3 1084 B13R0.2 CCCCCCCCCC(=O)OCC MCULE-9201389917 [0,2,0,0,0,0|0,0,0]=2 1085 B13R0.2 CCCCCCCCCC(=O)OCCl MCULE-4204116817 [0,2,0,0,0,0|0,0,0]=2 1086 B13R0.2 CCCCCCCCCC(=O)OCI MCULE-3516770567 [0,2,0,0,0,0|0,0,0]=2 1087 B13R0.2 CCCCCCCCCC(O)CCO MCULE-6275560025 [0,2,0,0,0,0|0,0,2]=4 1088 B13R0.2 CCCCCCCCNC(=O)CC#N MCULE-2816658013 [0,2,0,0,0,0|2,0,0]=4 1089 B13R0.2 CCCCCCCCOC(=O)CC#N MCULE-4816511178 [0,2,0,0,0,0|2,0,0]=4 1090 B13R0.2 CCCCCCCCOC(=O)CCC MCULE-8890710257 [0,2,0,0,0,0|2,0,0]=4 1091 B13R0.2 CCCCCCNCCC(=O)OCC MCULE-8059203538 [0,2,0,0,0,0|1,0,0]=3 1092 B13R0.2 CCOC(=O)CCCCCCCCBr MCULE-7199679649 [0,2,0,0,0,0|1,0,0]=3 1093 B13R0.2 CCOCCCNCCC(=O)OCC MCULE-5907720522 [0,2,0,0,0,0|2,0,0]=4 1094 B13R0.340 CCCCCCCCC(O)C(=O)OC MCULE-6749847751 [0,2,0,0,0,0|0,0,0]=2 1095 B13R0.340 CCCCCCCCN(C)C(=O)CCl MCULE-3998181585 [0,2,0,0,0,0|2,0,0]=4 1096 B13R0.340 CCCCCCCOC(C)C(=O)OC MCULE-7571050565 [0,2,0,0,0,0|1,0,0]=3 1097 B13R0.340 CCCCCCNCC(C)C(=O)OC MCULE-5057262725 [0,2,0,0,0,0|1,0,0]=3 1098 B13R0.340 CCOCCCNCC(C)C(=O)OC MCULE-6091929177 [0,2,0,0,0,0|2,0,0]=4 1099 B13R0.412 CCCCCCCCCC(C=O)CC MCULE-6879865212 [0,2,0,0,0,0|1,0,1]=4 1100 B13R0.412 CCCCCCCCCC(CC)CO MCULE-4844751733 [0,2,0,0,0,0|1,0,1]=4 1101 B13R0.412 CCCCCCCCCC(CO)CO MCULE-2139434580 [0,2,0,0,0,0|0,0,2]=4 1102 B13R0.412 CCCCCCCCCC(OC)OC MCULE-5319229815 [0,2,0,0,0,0|0,0,2]=4 1103 B13R0.1170 CCCCCCC(O)CCC(=O)OC MCULE-3812992050 [0,2,0,0,0,0|0,0,0]=2 1104 B13R0.1170 CCCCOCC(O)CCC(=O)NN MCULE-1917715882 [0,2,0,0,0,0|2,0,0]=4 1105 B13R0.61 CCCCCCCCC(CC)C(=O)O MCULE-6163755618 [0,2,0,0,0,0|0,0,0]=2 1106 B13R0.91 CCCC(=N)NCCC[C@H](N)C(=O)O MCULE-3925424238 [0,2,0,0,0,0|1,0,1]=4 1107 B13R0.91 CCCC(=N)NCCC[C@H](N)C(=O)O MCULE-5887869461 [0,2,0,0,0,0|1,0,1]=4 1108 B13R0.413 C=CCCCCCCC(C)(N)C(=O)O MCULE-4453808459 [0,2,0,0,0,0|0,0,2]=4 1109 B13R0.413 C=CCCCCCCC(C)(N)C(=O)O MCULE-5201199828 [0,2,0,0,0,0|0,0,2]=4 1110 B13R0.413 C=CCCCCCC[C@@](C)(N)C(=O)O MCULE-3772208040 [0,2,0,0,0,0|0,0,2]=4 1111 B13R0.413 C=CCCCCCC[C@](C)(N)C(=O)O MCULE-8603182265 [0,2,0,0,0,0|0,0,2]=4 1112 B11R1.24 CCCCC1=CC(=O)CCC1 MCULE-9500356684 [1,0,0,1,0,0|1,0,1]=4 1113 B11R1.24 CCCCC1CC(=O)CCN1 MCULE-2065402619 [1,0,0,1,0,0|2,0,0]=4 1114 B11R1.24 CCCCC1CC(=O)CCN1 MCULE-4896789576 [1,0,0,1,0,0|2,0,0]=4 1115 B11R1.24 CCCCC1CCCC(=O)O1 MCULE-5855223168 [1,0,0,1,0,0|0,0,0]=2 1116 B11R1.27 CCCCCC1C=CC(=O)O1 MCULE-7215901584 [1,0,0,1,0,0|0,0,2]=4 1117 B11R1.27 CCCCCC1CCC(=O)O1 MCULE-8658118167 [1,0,0,1,0,0|0,0,0]=2 1118 B11R1.27 CCCCC[C@H]1CCC(=O)O1 MCULE-5773106371 [1,0,0,1,0,0|0,0,0]=2 1119 B11R1.27 O=C1CCC(O1)CCCCCl MCULE-9831879802 [1,0,0,1,0,0|1,0,0]=3 1120 B11R1.53 CCC1CCCCC1C(=O)O MCULE-7668550184 [1,0,0,1,0,0|0,0,0]=2 1121 B11R1.53 CCN1CCCCC1C(=O)O MCULE-4498923070 [1,0,0,1,0,0|1,0,0]=3 1122 B11R1.53 CCN1CCCCC1C(=O)O MCULE-7899898030 [1,0,0,1,0,0|1,0,0]=3 1123 B11R1.53 CCN1CCOCC1C(=O)O MCULE-5700522196 [1,0,0,1,0,0|2,0,0]=4 1124 B11R1.53 COC1CCCCC1C(=O)O MCULE-6019948868 [1,0,0,1,0,0|1,0,0]=3 1125 B11R1.53 NC(=O)[C@H]1CCCC[C@@H]1CO MCULE-2660751861 [1,0,0,1,0,0|2,0,0]=4 1126 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O MCULE-1165595049 [1,0,0,1,0,0|1,0,0]=3 1127 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O MCULE-4991619146 [1,0,0,1,0,0|1,0,0]=3 1128 B11R1.57 C=CC1CCCC1CC(=O)O MCULE-4540266032 [1,0,0,1,0,0|0,0,2]=4 1129 B11R1.57 O=C(O)CN1CCCC1CBr MCULE-5679582185 [1,0,0,1,0,0|2,0,0]=4 1130 B11R1.57 O=C(O)CN1CCCC1CCl MCULE-2614095966 [1,0,0,1,0,0|2,0,0]=4 1131 B11R1.57 O=C(O)CN1CCCC1CI MCULE-2547746402 [1,0,0,1,0,0|2,0,0]=4 1132 B11R1.57 O=C(O)CN1CCCC1CO MCULE-9577753530 [1,0,0,1,0,0|2,0,0]=4 1133 B11R1.57 O=C(O)CN1CCC[C@H]1CO MCULE-1472111718 [1,0,0,1,0,0|2,0,0]=4 1134 B11R1.86 CC(=O)CC1CCCCN1C MCULE-7888596089 [1,0,0,1,0,0|2,0,0]=4 1135 B11R1.86 CC(=O)CN1CCCCC1C MCULE-6918556290 [1,0,0,1,0,0|2,0,0]=4 1136 B11R1.86 CC(=O)C[C@H]1CCCCN1C MCULE-2452733660 [1,0,0,1,0,0|2,0,0]=4 1137 B11R1.86 CC(=O)OC1CCCCC1C MCULE-6335382849 [1,0,0,1,0,0|2,0,0]=4 1138 B11R1.86 CC1CCCCC1CC(=O)N MCULE-3919731608 [1,0,0,1,0,0|1,0,0]=3 1139 B11R1.86 CC1CCCCC1CC(=O)O MCULE-8512937446 [1,0,0,1,0,0|0,0,0]=2 1140 B11R1.86 CC1CCCCC1NC(=O)N MCULE-8304088077 [1,0,0,1,0,0|2,0,0]=4 1141 B11R1.86 CC1CCCCN1CC(=O)N MCULE-2830131206 [1,0,0,1,0,0|2,0,0]=4 1142 B11R1.86 CC1CCCCN1CC(=O)O MCULE-6978091572 [1,0,0,1,0,0|1,0,0]=3 1143 B11R1.86 CC1CCCCN1CC(=O)O MCULE-8958981548 [1,0,0,1,0,0|1,0,0]=3 1144 B11R1.86 CC1CCNCC1CC(=O)O MCULE-2573262395 [1,0,0,1,0,0|1,0,0]=3 1145 B11R1.86 CC1CCNCC1CC(=O)O MCULE-6926994477 [1,0,0,1,0,0|1,0,0]=3 1146 B11R1.86 CC1CNCCC1CC(=O)O MCULE-7212738787 [1,0,0,1,0,0|1,0,0]=3 1147 B11R1.86 CC1CNCCN1CC(=O)O MCULE-5720133491 [1,0,0,1,0,0|2,0,0]=4 1148 B11R1.86 CC1CNCCN1CC(=O)O MCULE-8861054343 [1,0,0,1,0,0|2,0,0]=4 1149 B11R1.86 CN1CCCCC1CC(=O)O MCULE-3316980419 [1,0,0,1,0,0|1,0,0]=3 1150 B11R1.86 CN1CCCCC1CC(=O)O MCULE-8860551772 [1,0,0,1,0,0|1,0,0]=3 1151 B11R1.86 C[C@H]1CNCCN1CC(=O)O MCULE-1627398404 [1,0,0,1,0,0|2,0,0]=4 1152 B11R1.86 C[C@H]1CNCCN1CC(=O)O MCULE-6677242580 [1,0,0,1,0,0|2,0,0]=4 1153 B11R1.86 NC1CCOCC1CC(=O)O MCULE-4690300395 [1,0,0,1,0,0|2,0,0]=4 1154 B11R1.86 O=C(O)CC1CCCCC1=O MCULE-2872066455 [1,0,0,1,0,0|1,0,1]=4 1155 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1O MCULE-4350134748 [1,0,0,1,0,0|1,0,0]=3 1156 B11R1.86 O=C(O)C[C@H]1CCCC[C@@H]1O MCULE-6436496571 [1,0,0,1,0,0|1,0,0]=3 1157 B11R1.90 CN1CCCC1CCC(=O)O MCULE-2208326711 [1,0,0,1,0,0|1,0,0]=3 1158 B11R1.90 CN1CCCC1CCC(=O)O MCULE-5781640008 [1,0,0,1,0,0|1,0,0]=3 1159 B11R1.91 CC(=O)CCC1CCCCC1 MCULE-1125647515 [1,0,0,1,0,0|1,0,0]=3 1160 B11R1.91 CC(=O)CCN1CCCCC1 MCULE-4455809617 [1,0,0,1,0,0|2,0,0]=4 1161 B11R1.91 CC(=O)CCN1CCCCC1 MCULE-7961876637 [1,0,0,1,0,0|2,0,0]=4 1162 B11R1.91 CC(=O)OCC1CCCCC1 MCULE-4442955915 [1,0,0,1,0,0|2,0,0]=4 1163 B11R1.91 CC(O)CCC1CCCCC1 MCULE-3809271591 [1,0,0,1,0,0|1,0,1]=4 1164 B11R1.91 NC(=O)CCC1CCCCC1 MCULE-7177254920 [1,0,0,1,0,0|1,0,0]=3 1165 B11R1.91 NC(=O)CCC1CCCNC1 MCULE-2731987615 [1,0,0,1,0,0|2,0,0]=4 1166 B11R1.91 NC(=O)CCC1CCCNC1 MCULE-3357409507 [1,0,0,1,0,0|2,0,0]=4 1167 B11R1.91 NC(=O)CCC1CCNCC1 MCULE-2541342686 [1,0,0,1,0,0|2,0,0]=4 1168 B11R1.91 NC(=O)CCC1CCNCC1 MCULE-7868367948 [1,0,0,1,0,0|2,0,0]=4 1169 B11R1.91 NC(=O)COC1CCCCC1 MCULE-3634561714 [1,0,0,1,0,0|2,0,0]=4 1170 B11R1.91 NC(=O)CSC1CCCCC1 MCULE-9968891969 [1,0,0,1,0,0|2,0,0]=4 1171 B11R1.91 NC(=O)NCC1CCCCC1 MCULE-8898827465 [1,0,0,1,0,0|2,0,0]=4 1172 B11R1.91 O=C(Cl)CCC1CCCCC1 MCULE-7905035887 [1,0,0,1,0,0|1,0,0]=3 1173 B11R1.91 O=C(Cl)OCC1CCCCC1 MCULE-5198631423 [1,0,0,1,0,0|2,0,0]=4 1174 B11R1.91 O=C(O)/C=C/C1CCCCC1 MCULE-3408838682 [1,0,0,1,0,0|0,0,2]=4 1175 B11R1.91 O=C(O)C#CC1CCCCC1 MCULE-5082053122 [1,0,0,1,0,0|0,0,2]=4 1176 B11R1.91 O=C(O)C=CC1CCCCC1 MCULE-4284204201 [1,0,0,1,0,0|0,0,2]=4 1177 B11R1.91 O=C(O)CCC1=CCCCC1 MCULE-1237781222 [1,0,0,1,0,0|0,0,2]=4 1178 B11R1.91 O=C(O)CCC1CCCCC1 MCULE-6857024600 [1,0,0,1,0,0|0,0,0]=2 1179 B11R1.91 O=C(O)CCC1CCCCN1 MCULE-9745963762 [1,0,0,1,0,0|1,0,0]=3 1180 B11R1.91 O=C(O)CCC1CCCCN1 MCULE-9799515880 [1,0,0,1,0,0|1,0,0]=3 1181 B11R1.91 O=C(O)CCC1CCCCO1 MCULE-7131400209 [1,0,0,1,0,0|1,0,0]=3 1182 B11R1.91 O=C(O)CCC1CCCNC1 MCULE-7924528861 [1,0,0,1,0,0|1,0,0]=3 1183 B11R1.91 O=C(O)CCC1CCCNC1 MCULE-8138582183 [1,0,0,1,0,0|1,0,0]=3 1184 B11R1.91 O=C(O)CCC1CCCOC1 MCULE-2925847386 [1,0,0,1,0,0|1,0,0]=3 1185 B11R1.91 O=C(O)CCC1CCNCC1 MCULE-2827451677 [1,0,0,1,0,0|1,0,0]=3 1186 B11R1.91 O=C(O)CCC1CCNCC1 MCULE-4045148324 [1,0,0,1,0,0|1,0,0]=3 1187 B11R1.91 O=C(O)CCC1CCOCC1 MCULE-6529848078 [1,0,0,1,0,0|1,0,0]=3 1188 B11R1.91 O=C(O)CCC1CNCCN1 MCULE-1513049995 [1,0,0,1,0,0|2,0,0]=4 1189 B11R1.91 O=C(O)CCC1CNCCN1 MCULE-4856628745 [1,0,0,1,0,0|2,0,0]=4 1190 B11R1.91 O=C(O)CCC1CNCCN1 MCULE-8947965996 [1,0,0,1,0,0|2,0,0]=4 1191 B11R1.91 O=C(O)CCC1CNCCO1 MCULE-4290804660 [1,0,0,1,0,0|2,0,0]=4 1192 B11R1.91 O=C(O)CCC1CNCCO1 MCULE-8003417383 [1,0,0,1,0,0|2,0,0]=4 1193 B11R1.91 O=C(O)CCC1COCCN1 MCULE-2173241934 [1,0,0,1,0,0|2,0,0]=4 1194 B11R1.91 O=C(O)CCC1COCCN1 MCULE-4800776369 [1,0,0,1,0,0|2,0,0]=4 1195 B11R1.91 O=C(O)CCC1COCCO1 MCULE-8260042590 [1,0,0,1,0,0|2,0,0]=4 1196 B11R1.91 O=C(O)CCC1OCCCO1 MCULE-5410285503 [1,0,0,1,0,0|2,0,0]=4 1197 B11R1.91 O=C(O)CCN1CCCCC1 MCULE-4134014685 [1,0,0,1,0,0|1,0,0]=3 1198 B11R1.91 O=C(O)CCN1CCCCC1 MCULE-8800912377 [1,0,0,1,0,0|1,0,0]=3 1199 B11R1.91 O=C(O)CCN1CCCCO1 MCULE-2996089701 [1,0,0,1,0,0|2,0,0]=4 1200 B11R1.91 O=C(O)CCN1CCCCO1 MCULE-3766668240 [1,0,0,1,0,0|2,0,0]=4 1201 B11R1.91 O=C(O)CCN1CCNCC1 MCULE-2278927702 [1,0,0,1,0,0|2,0,0]=4 1202 B11R1.91 O=C(O)CCN1CCNCC1 MCULE-7245019533 [1,0,0,1,0,0|2,0,0]=4 1203 B11R1.91 O=C(O)CCN1CCOCC1 MCULE-1023466735 [1,0,0,1,0,0|2,0,0]=4 1204 B11R1.91 O=C(O)CCN1CCOCC1 MCULE-7724278716 [1,0,0,1,0,0|2,0,0]=4 1205 B11R1.91 O=C(O)CCN1CCOCC1 MCULE-8465184362 [1,0,0,1,0,0|2,0,0]=4 1206 B11R1.91 O=C(O)CCN1CCSCC1 MCULE-5978659919 [1,0,0,1,0,0|2,0,0]=4 1207 B11R1.91 O=C(O)CCN1CCSCC1 MCULE-8911727730 [1,0,0,1,0,0|2,0,0]=4 1208 B11R1.91 O=C(O)CC[C@@H]1CNCCO1 MCULE-1561801705 [1,0,0,1,0,0|2,0,0]=4 1209 B11R1.91 O=C(O)CC[C@@H]1CNCCO1 MCULE-1829190625 [1,0,0,1,0,0|2,0,0]=4 1210 B11R1.91 O=C(O)CC[C@H]1CNCCO1 MCULE-4904929048 [1,0,0,1,0,0|2,0,0]=4 1211 B11R1.91 O=C(O)CC[C@H]1CNCCO1 MCULE-9655711335 [1,0,0,1,0,0|2,0,0]=4 1212 B11R1.91 O=C(O)CNC1CCCCC1 MCULE-5220210342 [1,0,0,1,0,0|1,0,0]=3 1213 B11R1.91 O=C(O)CNC1CCCCC1 MCULE-9313520636 [1,0,0,1,0,0|1,0,0]=3 1214 B11R1.91 O=C(O)CNC1CCOCC1 MCULE-7657301692 [1,0,0,1,0,0|2,0,0]=4 1215 B11R1.91 O=C(O)COC1CCCCC1 MCULE-9015047559 [1,0,0,1,0,0|1,0,0]=3 1216 B11R1.91 O=C(O)COC1CCCOC1 MCULE-6982251312 [1,0,0,1,0,0|2,0,0]=4 1217 B11R1.91 O=C(O)COC1CCNCC1 MCULE-8120083070 [1,0,0,1,0,0|2,0,0]=4 1218 B11R1.91 O=C(O)COC1CCNCC1 MCULE-9462178764 [1,0,0,1,0,0|2,0,0]=4 1219 B11R1.91 O=C(O)COC1CCOCC1 MCULE-2803382098 [1,0,0,1,0,0|2,0,0]=4 1220 B11R1.91 O=C(O)CSC1CCCCC1 MCULE-2242180425 [1,0,0,1,0,0|1,0,0]=3 1221 B11R1.91 O=C(O)CSC1CCCCO1 MCULE-8580492168 [1,0,0,1,0,0|2,0,0]=4 1222 B11R1.91 O=N(=O)CCC1CCCCC1 MCULE-2759348903 [1,0,0,1,0,0|1,0,1]=4 1223 B11R1.91 OB(O)CCC1CCCCC1 MCULE-6802710012 [1,0,0,1,0,0|1,0,1]=4 1224 B11R1.99 CCCCCCCCC1CO1 MCULE-5254067206 [1,0,0,1,0,0|1,0,1]=4 1225 B11R1.99 CCCCCCCC[C@@H]1CO1 MCULE-1956936475 [1,0,0,1,0,0|1,0,1]=4 1226 B11R1.101 O=C1CCCCCCCCC1 MCULE-7431354983 [1,0,0,1,0,0|1,0,0]=3 1227 B11R1.101 O=C1CCCCCCCCN1 MCULE-4805310836 [1,0,0,1,0,0|1,0,0]=3 1228 B11R1.101 O=C1CCNCCCCCN1 MCULE-1892904766 [1,0,0,1,0,0|2,0,0]=4 1229 B11R1.107 O=C1CCCCCCC(=O)O1 MCULE-6826256328 [1,0,0,1,0,0|1,0,1]=4 1230 B11R1.110 NCCC1CCCCC(=O)N1 MCULE-2147581863 [1,0,0,1,0,0|2,0,0]=4 1231 B11R1.110 NCCC1CCCCC(=O)N1 MCULE-8292359667 [1,0,0,1,0,0|2,0,0]=4 1232 B11R1.143 CN1CCCCCC1C(=O)O MCULE-2653542021 [1,0,0,1,0,0|1,0,0]=3 1233 B11R1.143 CN1CCCCCC1C(=O)O MCULE-3417099605 [1,0,0,1,0,0|1,0,0]=3 1234 B11R1.143 NC1CCCCCC1C(=O)O MCULE-8944650297 [1,0,0,1,0,0|1,0,0]=3 1235 B11R1.143 NC1CCCCCC1C(=O)O MCULE-9787960494 [1,0,0,1,0,0|1,0,0]=3 1236 B11R1.172 NC(=O)CCNC1CCCC1 MCULE-2584575010 [1,0,0,1,0,0|2,0,0]=4 1237 B11R1.172 O=C(O)CCCC1CCCC1 MCULE-5735094397 [1,0,0,1,0,0|0,0,0]=2 1238 B11R1.172 O=C(O)CCCC1CCSS1 MCULE-1919221477 [1,0,0,1,0,0|2,0,0]=4 1239 B11R1.172 O=C(O)CCCN1CCCC1 MCULE-7995654522 [1,0,0,1,0,0|1,0,0]=3 1240 B11R1.172 O=C(O)CCCN1CCCC1 MCULE-9746290578 [1,0,0,1,0,0|1,0,0]=3 1241 B11R1.172 O=C(O)CCNC1CCCC1 MCULE-1657479625 [1,0,0,1,0,0|1,0,0]=3 1242 B11R1.172 O=C(O)CCNC1CCCC1 MCULE-3083688470 [1,0,0,1,0,0|1,0,0]=3 1243 B11R1.172 O=C(O)CCSC1CCCC1 MCULE-1998655965 [1,0,0,1,0,0|1,0,0]=3 1244 B11R1.172 O=C(O)COCC1CCCC1 MCULE-5915220179 [1,0,0,1,0,0|1,0,0]=3 1245 B11R1.172 O=C(O)COCC1CCCN1 MCULE-4455185085 [1,0,0,1,0,0|2,0,0]=4 1246 B11R1.172 O=C(O)COCC1CCCN1 MCULE-9900773670 [1,0,0,1,0,0|2,0,0]=4 1247 B11R1.172 O=C(O)COCC1CCCO1 MCULE-6503346834 [1,0,0,1,0,0|2,0,0]=4 1248 B11R1.172 O=C(O)COCC1CCOC1 MCULE-8544806817 [1,0,0,1,0,0|2,0,0]=4 1249 B11R1.172 O=C(O)CSCC1CCCO1 MCULE-5372517414 [1,0,0,1,0,0|2,0,0]=4 1250 B11R1.193 CCCC1CCCC1C(=O)O MCULE-1492543766 [1,0,0,1,0,0|0,0,0]=2 1251 B11R1.193 CCCC1CCNC1C(=O)O MCULE-3288508053 [1,0,0,1,0,0|1,0,0]=3 1252 B11R1.193 CCCC1CCNC1C(=O)O MCULE-8057933085 [1,0,0,1,0,0|1,0,0]=3 1253 B11R1.193 CCCN1CCCC1C(=O)O MCULE-8751998851 [1,0,0,1,0,0|1,0,0]=3 1254 B11R1.193 CCCN1CCC[C@H]1C(=O)O MCULE-2240941812 [1,0,0,1,0,0|1,0,0]=3 1255 B11R1.193 CCCN1CCC[C@H]1C(=O)O MCULE-4921696951 [1,0,0,1,0,0|1,0,0]=3 1256 B11R1.193 O=C(O)C1CNCC1CCO MCULE-3831742896 [1,0,0,1,0,0|2,0,0]=4 1257 B11R1.706 CC(=O)C1CCCCCCC1 MCULE-7453374150 [1,0,0,1,0,0|1,0,0]=3 1258 B11R1.706 O=C(O)C1CCC=CCCC1 MCULE-1202438669 [1,0,0,1,0,0|0,0,2]=4 1259 B11R1.706 O=C(O)C1CCCCCCC1 MCULE-7220278799 [1,0,0,1,0,0|0,0,0]=2 1260 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2852082428 [1,0,0,1,0,0|1,0,0]=3 1261 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2931630393 [1,0,0,1,0,0|1,0,0]=3 1262 B11R1.742 C=C(C)CC1CCCCCC1 MCULE-6590200380 [1,0,0,1,0,0|2,0,0]=4 1263 B11R1.742 CC(=O)CC1CCCCCN1 MCULE-2355996760 [1,0,0,1,0,0|2,0,0]=4 1264 B11R1.742 CC(=O)CN1CCCCCC1 MCULE-5319693118 [1,0,0,1,0,0|2,0,0]=4 1265 B11R1.742 CC(=O)CN1CCCCCC1 MCULE-8763178253 [1,0,0,1,0,0|2,0,0]=4 1266 B11R1.742 CC(=O)NC1CCCCCC1 MCULE-3697459369 [1,0,0,1,0,0|2,0,0]=4 1267 B11R1.742 NC(=O)CN1CCCCCC1 MCULE-5945622165 [1,0,0,1,0,0|2,0,0]=4 1268 B11R1.742 NC(=O)NC1CCCCCC1 MCULE-7737326688 [1,0,0,1,0,0|2,0,0]=4 1269 B11R1.742 O=C(O)C=C1CCCCCC1 MCULE-5228387881 [1,0,0,1,0,0|0,0,2]=4 1270 B11R1.742 O=C(O)CC1CCC=CCC1 MCULE-8122130448 [1,0,0,1,0,0|0,0,2]=4 1271 B11R1.742 O=C(O)CC1CCCCCC1 MCULE-3247091796 [1,0,0,1,0,0|0,0,0]=2 1272 B11R1.742 O=C(O)CC1CCCNCC1 MCULE-1259156999 [1,0,0,1,0,0|1,0,0]=3 1273 B11R1.742 O=C(O)CC1CCCNCC1 MCULE-8862658650 [1,0,0,1,0,0|1,0,0]=3 1274 B11R1.742 O=C(O)CC1CCCOCC1 MCULE-7663320476 [1,0,0,1,0,0|1,0,0]=3 1275 B11R1.742 O=C(O)CN1CCCCCC1 MCULE-1178025352 [1,0,0,1,0,0|1,0,0]=3 1276 B11R1.742 O=C(O)CN1CCCCCC1 MCULE-1252489424 [1,0,0,1,0,0|1,0,0]=3 1277 B11R1.742 O=C(O)CN1CCCNCC1 MCULE-7410717770 [1,0,0,1,0,0|2,0,0]=4 1278 B11R1.742 O=C(O)CN1CCCNCC1 MCULE-8199207666 [1,0,0,1,0,0|2,0,0]=4 1279 B11R1.4 CCCCCCC1OCCO1 MCULE-4454812568 [1,0,0,1,0,0|1,0,1]=4 1280 B11R1.4 OCCCCCN1CCCC1 MCULE-6150953693 [1,0,0,1,0,0|1,0,1]=4 1281 B11R1.4 OCCCNCC1CCCC1 MCULE-4801540502 [1,0,0,1,0,0|1,0,1]=4 1282 B11R1.4 OCCCOCC1CCCC1 MCULE-4073733141 [1,0,0,1,0,0|1,0,1]=4 1283 B11R1.5 CCCC1CCCCNC1=O MCULE-1989909498 [1,0,0,1,0,0|1,0,0]=3 1284 B11R1.5 CCCN1CCCNCC1=O MCULE-8150823911 [1,0,0,1,0,0|2,0,0]=4 1285 B11R1.5 CCCN1CCNCCC1=O MCULE-1036321145 [1,0,0,1,0,0|2,0,0]=4 1286 B11R1.5 CCCN1CCNCCC1=O MCULE-8130444004 [1,0,0,1,0,0|2,0,0]=4 1287 B11R1.5 NCCN1CCCCCC1=O MCULE-6085364731 [1,0,0,1,0,0|2,0,0]=4 1288 B11R1.5 O=C1CCCCCN1CCO MCULE-2748237095 [1,0,0,1,0,0|2,0,0]=4 1289 B11R1.17 CCCCC1CCCCC1O MCULE-7002165342 [1,0,0,1,0,0|0,0,1]=3 1290 B11R1.17 CCCCC1NCCNC1=O MCULE-8504158690 [1,0,0,1,0,0|2,0,0]=4 1291 B11R1.17 CCCCN1CCNCC1=O MCULE-4836745667 [1,0,0,1,0,0|2,0,0]=4 1292 B11R1.17 CCCNC1CCCCC1O MCULE-8368765892 [1,0,0,1,0,0|1,0,1]=4 1293 B11R1.17 CCCN[C@@H]1CCCC[C@H]1O MCULE-3339453217 [1,0,0,1,0,0|1,0,1]=4 1294 B11R1.17 CCCN[C@@H]1CCCC[C@H]1O MCULE-8427110995 [1,0,0,1,0,0|1,0,1]=4 1295 B11R1.17 CNCCN1CCCCC1=O MCULE-2748762852 [1,0,0,1,0,0|2,0,0]=4 1296 B11R1.17 CNCCN1CCCCC1=O MCULE-6209260920 [1,0,0,1,0,0|2,0,0]=4 1297 B11R1.17 N#CCCC1CCCCC1=O MCULE-6518120828 [1,0,0,1,0,0|1,0,1]=4 1298 B11R1.17 NCCCC1CCCCC1O MCULE-4985421129 [1,0,0,1,0,0|1,0,1]=4 1299 B11R1.17 NCCCN1CCCCC1=O MCULE-3264201427 [1,0,0,1,0,0|2,0,0]=4 1300 B11R1.17 O=C1CCCCC1CCCO MCULE-6491492717 [1,0,0,1,0,0|1,0,0]=3 1301 B11R1.17 O=C1CCCCN1CCCO MCULE-3358401474 [1,0,0,1,0,0|2,0,0]=4 1302 B11R1.28 BrCCCCC1CCCCC1 MCULE-1688175311 [1,0,0,1,0,0|1,0,1]=4 1303 B11R1.28 C=CCCCC1CCCCC1 MCULE-7312271164 [1,0,0,1,0,0|1,0,0]=3 1304 B11R1.28 C=CCCOC1CCCCC1 MCULE-8490111049 [1,0,0,1,0,0|2,0,0]=4 1305 B11R1.28 C=CCNCC1CCCCC1 MCULE-2828762425 [1,0,0,1,0,0|2,0,0]=4 1306 B11R1.28 CCCCCC1CCCCC1 MCULE-8832032133 [1,0,0,1,0,0|1,0,1]=4 1307 B11R1.28 CCCCCC1CCCCN1 MCULE-4218318893 [1,0,0,1,0,0|1,0,1]=4 1308 B11R1.28 CCCCOC1CCCCO1 MCULE-5619472922 [1,0,0,1,0,0|1,0,1]=4 1309 B11R1.28 CCCNCC1CCCCO1 MCULE-6602583901 [1,0,0,1,0,0|1,0,1]=4 1310 B11R1.28 CNCCCC1CCCCC1 MCULE-9069202916 [1,0,0,1,0,0|2,0,0]=4 1311 B11R1.28 ICCCCC1CCCCC1 MCULE-6154026120 [1,0,0,1,0,0|1,0,1]=4 1312 B11R1.28 NCCCCC1CCCCC1 MCULE-2906458062 [1,0,0,1,0,0|1,0,1]=4 1313 B11R1.28 O=CCCCC1CCCCC1 MCULE-8571570461 [1,0,0,1,0,0|0,0,0]=2 1314 B11R1.28 O=CCCCN1CCOCC1 MCULE-4787055493 [1,0,0,1,0,0|2,0,0]=4 1315 B11R1.28 O=CCCOC1CCCCC1 MCULE-4673250182 [1,0,0,1,0,0|1,0,0]=3 1316 B11R1.28 O=CCOCC1CCCCC1 MCULE-7612102606 [1,0,0,1,0,0|1,0,0]=3 1317 B11R1.28 O=CCOCC1CCOCC1 MCULE-1054046333 [1,0,0,1,0,0|2,0,0]=4 1318 B11R1.28 OCCCCC1CCCCC1 MCULE-3644108501 [1,0,0,1,0,0|0,0,1]=3 1319 B11R1.28 OCCCCC1CCCCN1 MCULE-3714334346 [1,0,0,1,0,0|1,0,1]=4 1320 B11R1.28 OCCCCC1CCCNC1 MCULE-7769059484 [1,0,0,1,0,0|1,0,1]=4 1321 B11R1.28 OCCCCC1CCNCC1 MCULE-2492519799 [1,0,0,1,0,0|1,0,1]=4 1322 B11R1.28 OCCCCC1CCNCC1 MCULE-9994111075 [1,0,0,1,0,0|1,0,1]=4 1323 B11R1.28 OCCCCN1CCCCC1 MCULE-7640069933 [1,0,0,1,0,0|1,0,1]=4 1324 B11R1.28 OCCCCN1CCCCC1 MCULE-9734250002 [1,0,0,1,0,0|1,0,1]=4 1325 B11R1.28 OCCCNC1CCCCC1 MCULE-4167772942 [1,0,0,1,0,0|1,0,1]=4 1326 B11R1.28 OCCCOC1CCCCC1 MCULE-3209317348 [1,0,0,1,0,0|1,0,1]=4 1327 B11R1.28 OCCNCC1CCCCC1 MCULE-1393340274 [1,0,0,1,0,0|1,0,1]=4 1328 B11R1.28 OCCNCC1CCCCC1 MCULE-7217857602 [1,0,0,1,0,0|1,0,1]=4 1329 B11R1.28 ON=CCCC1CCCCC1 MCULE-7103143157 [1,0,0,1,0,0|1,0,1]=4 1330 B11R1.41 CCC1CCCCN1CCO MCULE-3619810201 [1,0,0,1,0,0|1,0,1]=4 1331 B11R1.41 CCCC1CCCCC1CN MCULE-8861688157 [1,0,0,1,0,0|1,0,1]=4 1332 B11R1.41 CCN1CCCCC1CCO MCULE-6546654545 [1,0,0,1,0,0|1,0,1]=4 1333 B11R1.51 CCN1CCCCCC1CO MCULE-9392450597 [1,0,0,1,0,0|1,0,1]=4 1334 B11R1.92 C1CCCCCCCCCC1 MCULE-6783863454 [1,0,0,1,0,0|1,0,1]=4 1335 B11R1.92 C1CCCCCNCCCC1 MCULE-1671621328 [1,0,0,1,0,0|1,0,1]=4 1336 B11R1.117 C=CCC1CCCCCCC1 MCULE-5863038923 [1,0,0,1,0,0|1,0,0]=3 1337 B11R1.117 CNCC1CCCCCCC1 MCULE-3882363434 [1,0,0,1,0,0|2,0,0]=4 1338 B11R1.117 NCCC1CCCCCCC1 MCULE-5038195827 [1,0,0,1,0,0|1,0,1]=4 1339 B11R1.117 NCCC1CCCCCCC1 MCULE-9743664308 [1,0,0,1,0,0|1,0,1]=4 1340 B11R1.180 CCCCC=C1CCCC1=O MCULE-3061361246 [1,0,0,1,0,0|0,0,2]=4 1341 B11R1.180 CCCCCC1=CCCC1=O MCULE-2643922279 [1,0,0,1,0,0|0,0,2]=4 1342 B11R1.180 CCCCCC1CCCC1=O MCULE-7048040111 [1,0,0,1,0,0|0,0,0]=2 1343 B11R1.180 CCCCCC1CCCC1O MCULE-7690407093 [1,0,0,1,0,0|0,0,1]=3 1344 B11R1.180 CCCCCN1CCCC1=O MCULE-7791437264 [1,0,0,1,0,0|1,0,0]=3 1345 B11R1.180 CCNCCN1CCCC1=O MCULE-9602250458 [1,0,0,1,0,0|2,0,0]=4 1346 B11R1.180 NCCCCN1CCCC1=O MCULE-2895726457 [1,0,0,1,0,0|2,0,0]=4 1347 B11R1.180 NCCCCN1CCCC1=O MCULE-8478246977 [1,0,0,1,0,0|2,0,0]=4 1348 B11R1.203 O=CCCC1CCCCCC1 MCULE-5898493972 [1,0,0,1,0,0|0,0,0]=2 1349 B11R1.203 OCCCN1CCCCCC1 MCULE-4520769761 [1,0,0,1,0,0|1,0,1]=4 1350 B11R1.203 OCCCN1CCCCCC1 MCULE-4937889727 [1,0,0,1,0,0|1,0,1]=4 1351 B11R1.203 OCCNC1CCCCCC1 MCULE-9807195475 [1,0,0,1,0,0|1,0,1]=4 1352 B11R1.203 OCCOC1CCCCCC1 MCULE-7377327373 [1,0,0,1,0,0|1,0,1]=4 1353 B13R1.27 CCCCCCCC1CCC(=O)O1 MCULE-9018416843 [0,1,0,1,0,0|0,0,0]=2 1354 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 MCULE-5815442718 [0,1,0,1,0,0|0,0,0]=2 1355 B13R1.55 CCCCCC1CC(CC(=O)O1)O MCULE-6406474540 [0,1,0,1,0,0|0,0,0]=2 1356 B13R1.190 CCCCCCC1OC(=O)CC1C MCULE-7996140068 [0,1,0,1,0,0|0,0,0]=2 1357 B13R1.201 CC1CCCCN1C(C)CC(=O)O MCULE-4261639890 [0,1,0,1,0,0|1,0,0]=3 1358 B13R1.282 CN(CC(=O)O)CC1CCCN1C MCULE-7876992196 [0,1,0,1,0,0|2,0,0]=4 1359 B13R1.282 CN(CC(=O)O)C[C@@H]1CCCN1C MCULE-6633417143 [0,1,0,1,0,0|2,0,0]=4 1360 B13R1.348 CC(=O)CC(C)SC1CCCCC1 MCULE-1912626160 [0,1,0,1,0,0|2,0,0]=4 1361 B13R1.348 N[C@H](CC(=O)O)CC1CCCCC1 MCULE-1712654425 [0,1,0,1,0,0|0,0,0]=2 1362 B13R1.348 N[C@H](CC(=O)O)CC1CCCCC1 MCULE-1997434967 [0,1,0,1,0,0|0,0,0]=2 1363 B13R1.348 O=C(O)CC(=O)OC1CCCCC1 MCULE-6255823961 [0,1,0,1,0,0|1,0,1]=4 1364 B13R1.373 COCC1CCCN(C1)CC(=O)O MCULE-8340092711 [0,1,0,1,0,0|2,0,0]=4 1365 B13R1.2020 NC1(CCCCCCC1)CC(=O)O MCULE-8477320042 [0,1,0,1,0,0|0,0,0]=2 1366 B13R1.2020 NC1(CCCCCCC1)CC(=O)O MCULE-8870084219 [0,1,0,1,0,0|0,0,0]=2 1367 B13R1.7456 CC(CC(=O)O)N1CCCCCC1 MCULE-5038914756 [0,1,0,1,0,0|1,0,0]=3 1368 B13R1.7456 CC(CC(=O)O)N1CCCCCC1 MCULE-7916192547 [0,1,0,1,0,0|1,0,0]=3 1369 B13R1.7456 NC(CC(=O)O)C1CCCCCC1 MCULE-3511349491 [0,1,0,1,0,0|0,0,0]=2 1370 B13R1.7456 NC(CC(=O)O)C1CCCCCC1 MCULE-5875335902 [0,1,0,1,0,0|0,0,0]=2 1371 B13R1.158 CC1CCCCN1CCCC(=O)O MCULE-2658022342 [0,1,0,1,0,0|0,0,0]=2 1372 B13R1.158 CC1CCCCN1CCCC(=O)O MCULE-3288150889 [0,1,0,1,0,0|0,0,0]=2 1373 B13R1.158 CN1CCCCC1CNCC(=O)O MCULE-2171668896 [0,1,0,1,0,0|1,0,0]=3 1374 B13R1.158 CN1CCCCC1COCC(=O)O MCULE-3673631668 [0,1,0,1,0,0|1,0,0]=3 1375 B13R1.158 O=C(O)CCCN1CCCCC1=O MCULE-9681527343 [0,1,0,1,0,0|1,0,1]=4 1376 B13R1.337 C=C(C)CCCCC1CCCCC1 MCULE-8165088148 [0,1,0,1,0,0|2,0,0]=4 1377 B13R1.337 CC(=O)OCCCC1CCCCN1 MCULE-1444724209 [0,1,0,1,0,0|2,0,0]=4 1378 B13R1.337 CC(=O)OCCCC1CCCCN1 MCULE-4206471088 [0,1,0,1,0,0|2,0,0]=4 1379 B13R1.337 CC(=O)OCCCC1CCCNC1 MCULE-4591243184 [0,1,0,1,0,0|2,0,0]=4 1380 B13R1.337 CC(=O)OCCCC1CCCNC1 MCULE-7140721019 [0,1,0,1,0,0|2,0,0]=4 1381 B13R1.337 CC(=O)OCCCC1CCNCC1 MCULE-2323487501 [0,1,0,1,0,0|2,0,0]=4 1382 B13R1.337 CC(=O)OCCCC1CCNCC1 MCULE-4105549584 [0,1,0,1,0,0|2,0,0]=4 1383 B13R1.337 CC(=O)OCCCN1CCCCC1 MCULE-7448871413 [0,1,0,1,0,0|2,0,0]=4 1384 B13R1.337 CC(=O)OCCCN1CCCCC1 MCULE-7777165052 [0,1,0,1,0,0|2,0,0]=4 1385 B13R1.337 NC(=O)CNCCC1CCCCC1 MCULE-1811204198 [0,1,0,1,0,0|1,0,0]=3 1386 B13R1.337 O=C(O)CCCCC1CCCCC1 MCULE-8624525968 [0,1,0,1,0,0|0,0,0]=2 1387 B13R1.337 O=C(O)CCCCC1CCNCC1 MCULE-9807076317 [0,1,0,1,0,0|0,0,0]=2 1388 B13R1.337 O=C(O)CCCCC1CCSSS1 MCULE-5897273262 [0,1,0,1,0,0|2,0,0]=4 1389 B13R1.337 O=C(O)CCCCN1CCCCC1 MCULE-1700384136 [0,1,0,1,0,0|0,0,0]=2 1390 B13R1.337 O=C(O)CCCCN1CCCCC1 MCULE-3436222840 [0,1,0,1,0,0|0,0,0]=2 1391 B13R1.337 O=C(O)CCCCN1CCOCC1 MCULE-2036644380 [0,1,0,1,0,0|1,0,0]=3 1392 B13R1.337 O=C(O)CCCCN1CCOCC1 MCULE-4425234754 [0,1,0,1,0,0|1,0,0]=3 1393 B13R1.337 O=C(O)CCCOC1CCCCO1 MCULE-8336941826 [0,1,0,1,0,0|1,0,0]=3 1394 B13R1.337 O=C(O)CCCOC1CCOCC1 MCULE-9068336054 [0,1,0,1,0,0|1,0,0]=3 1395 B13R1.337 O=C(O)CCCSC1CCCCC1 MCULE-1908047550 [0,1,0,1,0,0|0,0,0]=2 1396 B13R1.337 O=C(O)CCNCC1CCCCC1 MCULE-3522959414 [0,1,0,1,0,0|0,0,0]=2 1397 B13R1.337 O=C(O)CCNCC1CCCCC1 MCULE-9583021057 [0,1,0,1,0,0|0,0,0]=2 1398 B13R1.337 O=C(O)CCOCC1CCCCC1 MCULE-1183191547 [0,1,0,1,0,0|0,0,0]=2 1399 B13R1.337 O=C(O)CCSCC1CCCCC1 MCULE-3460268969 [0,1,0,1,0,0|0,0,0]=2 1400 B13R1.337 O=C(O)COCCN1CCNCC1 MCULE-4314449701 [0,1,0,1,0,0|2,0,0]=4 1401 B13R1.568 COCCN1CCCC(C1)C(=O)O MCULE-2966749627 [0,1,0,1,0,0|2,0,0]=4 1402 B13R1.568 COCCN1CCCC(C1)C(=O)O MCULE-3579107193 [0,1,0,1,0,0|2,0,0]=4 1403 B13R1.1042 O=C(O)CCCCC(=O)C1CCC1 MCULE-1554272472 [0,1,0,1,0,0|0,0,1]=3 1404 B13R1.3523 NS(=O)(=O)CCCC1CCCCC1 MCULE-7609013844 [0,1,0,1,0,0|1,0,1]=4 1405 B13R1.3523 O=S(=O)(Cl)CCCC1CCCCC1 MCULE-6744397786 [0,1,0,1,0,0|1,0,1]=4 1406 B13R1.3523 O=S(=O)(O)CCCN1CCCCC1 MCULE-9326335759 [0,1,0,1,0,0|2,0,0]=4 1407 B13R1.3523 O=S(=O)(O)CCNC1CCCCC1 MCULE-1130417163 [0,1,0,1,0,0|2,0,0]=4 1408 B13R1.513 CC1CCN(CC1)CCCC(=O)O MCULE-2940405828 [0,1,0,1,0,0|1,0,0]=3 1409 B13R1.513 CC1CCN(CC1)CCCC(=O)O MCULE-5196067702 [0,1,0,1,0,0|1,0,0]=3 1410 B13R1.513 CN1CCC(CC1)CCCC(=O)O MCULE-5372619731 [0,1,0,1,0,0|1,0,0]=3 1411 B13R1.513 CN1CCC(CC1)CNCC(=O)O MCULE-1843634975 [0,1,0,1,0,0|2,0,0]=4 1412 B13R1.513 CN1CCC(CC1)COCC(=O)O MCULE-8109917718 [0,1,0,1,0,0|2,0,0]=4 1413 B13R1.513 CN1CCC(CC1)NCCC(=O)O MCULE-1439907423 [0,1,0,1,0,0|2,0,0]=4 1414 B13R1.513 CN1CCC(CC1)NCCC(=O)O MCULE-3718829301 [0,1,0,1,0,0|2,0,0]=4 1415 B13R1.513 CN1CCN(CC1)CCCC(=O)O MCULE-3936319399 [0,1,0,1,0,0|2,0,0]=4 1416 B13R1.513 CN1CCN(CC1)CCCC(=O)O MCULE-8693062436 [0,1,0,1,0,0|2,0,0]=4 1417 B13R1.513 NC1CCN(CC1)CCCC(=O)O MCULE-1372379400 [0,1,0,1,0,0|1,0,0]=3 1418 B13R1.513 NC1CCN(CC1)CCCC(=O)O MCULE-2641271687 [0,1,0,1,0,0|1,0,0]=3 1419 B13R1.513 O=C(O)CCCN1CCS(=O)CC1 MCULE-8526297661 [0,1,0,1,0,0|2,0,0]=4 1420 B13R1.547 CCC(=O)N1CCCCC1C(=O)O MCULE-5558143237 [0,1,0,1,0,0|1,0,1]=4 1421 B13R1.547 CNC(=O)C1CCCCC1C(=O)O MCULE-6119100727 [0,1,0,1,0,0|1,0,1]=4 1422 B13R1.547 COC(=O)C1CCCCC1C(=O)O MCULE-7350983967 [0,1,0,1,0,0|1,0,1]=4 1423 B13R1.547 COC(=O)[C@@H]1CCCC[C@@H]1C(=O)O MCULE-1557830756 [0,1,0,1,0,0|1,0,1]=4 1424 B13R1.547 COC(=O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4205408536 [0,1,0,1,0,0|1,0,1]=4 1425 B13R1.547 COC(=O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-9120944854 [0,1,0,1,0,0|1,0,1]=4 1426 B13R1.547 COC(=O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-1305629315 [0,1,0,1,0,0|1,0,1]=4 1427 B13R1.547 COC(=O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-7753088653 [0,1,0,1,0,0|1,0,1]=4 1428 B13R1.547 COC(=O)[C@H]1CCCC[C@H]1C(=O)O MCULE-9394786545 [0,1,0,1,0,0|1,0,1]=4 1429 B13R1.547 COC(=O)[C@H]1CCCC[C@H]1C(=O)O MCULE-9635559361 [0,1,0,1,0,0|1,0,1]=4 1430 B13R1.643 O=C(O)CCN1CCCC(C1)CO MCULE-6488437449 [0,1,0,1,0,0|2,0,0]=4 1431 B13R1.3796 CN1CCCN(CC1)CCC(=O)O MCULE-6057121439 [0,1,0,1,0,0|2,0,0]=4 1432 B13R1.149 CN1CCCC(C1)CNCC(=O)O MCULE-5934400408 [0,1,0,1,0,0|2,0,0]=4 1433 B13R1.149 CN1CCCC(C1)COCC(=O)O MCULE-4923092158 [0,1,0,1,0,0|2,0,0]=4 1434 B13R1.149 O=C(O)CCCC1CCCC(=O)N1 MCULE-3937421285 [0,1,0,1,0,0|1,0,1]=4 1435 B13R1.280 O=C(O)CCN1CCCCCC1=O MCULE-5062326708 [0,1,0,1,0,0|1,0,1]=4 1436 B13R1.342 CC(COCC(=O)O)N1CCCC1 MCULE-1754067874 [0,1,0,1,0,0|2,0,0]=4 1437 B13R1.342 CC(COCC(=O)O)N1CCCC1 MCULE-4618482056 [0,1,0,1,0,0|2,0,0]=4 1438 B13R1.342 O=C(O)CCCC(=O)C1CCCC1 MCULE-7756025033 [0,1,0,1,0,0|0,0,1]=3 1439 B13R1.342 O=C(O)CCCC(=O)N1CCCC1 MCULE-9469748428 [0,1,0,1,0,0|1,0,1]=4 1440 B13R1.342 O=C(O)CCNC(=O)C1CCCC1 MCULE-7417577519 [0,1,0,1,0,0|1,0,1]=4 1441 B13R1.658 CCCCCC1NC(CS1)C(=O)O MCULE-4690525097 [0,1,0,1,0,0|1,0,0]=3 1442 B13R1.1988 C=C(C)CCCC1CCCCCC1 MCULE-6488235518 [0,1,0,1,0,0|2,0,0]=4 1443 B13R1.1988 O=C(O)/C=C/CN1CCCCCC1 MCULE-8860812117 [0,1,0,1,0,0|0,0,2]=4 1444 B13R1.1988 O=C(O)CCCN1CCCCCC1 MCULE-5500239831 [0,1,0,1,0,0|0,0,0]=2 1445 B13R1.1988 O=C(O)CCCN1CCCCCC1 MCULE-9998662967 [0,1,0,1,0,0|0,0,0]=2 1446 B13R1.1988 O=C(O)CCNC1=NCCCCC1 MCULE-9127655169 [0,1,0,1,0,0|1,0,1]=4 1447 B13R1.1988 O=C(O)CON=C1CCCCCC1 MCULE-4174439671 [0,1,0,1,0,0|1,0,1]=4 1448 B13R1.2744 CCCCOC(=O)C1CC1C(=O)O MCULE-4981135146 [0,1,0,1,0,0|1,0,1]=4 1449 B13R1.2744 CCCCOC(=O)[C@H]1C[C@H]1C(=O)O MCULE-2074539735 [0,1,0,1,0,0|1,0,1]=4 1450 B13R1.2744 CCCCOC(=O)[C@H]1C[C@H]1C(=O)O MCULE-6495733804 [0,1,0,1,0,0|1,0,1]=4 1451 B13R1.3787 CC1CCCC(N1CCC(=O)O)C MCULE-5437713528 [0,1,0,1,0,0|1,0,0]=3 1452 B13R1.3787 CC1CCCC(N1CCC(=O)O)C MCULE-5754159196 [0,1,0,1,0,0|1,0,0]=3 1453 B13R1.3787 C[C@H]1CCC[C@H](N1CCC(=O)O)C MCULE-3280034150 [0,1,0,1,0,0|1,0,0]=3 1454 B13R1.3787 C[C@H]1CCC[C@H](N1CCC(=O)O)C MCULE-6064144876 [0,1,0,1,0,0|1,0,0]=3 1455 B13R1.6 CCCCCCC1CCCC(=O)O1 MCULE-7844383556 [0,1,0,1,0,0|0,0,0]=2 1456 B13R1.6 CCCCCCC1OCCC(O1)C MCULE-4340463593 [0,1,0,1,0,0|1,0,1]=4 1457 B13R1.6 N#CCCCCC1CCCC(=O)C1 MCULE-6540271443 [0,1,0,1,0,0|1,0,1]=4 1458 B13R1.90 CCC1CCCCC1OCC(=O)O MCULE-4174544329 [0,1,0,1,0,0|0,0,0]=2 1459 B13R1.90 CCC1CCCCN1CCC(=O)O MCULE-7797119414 [0,1,0,1,0,0|0,0,0]=2 1460 B13R1.90 CCC1CCCCN1CCC(=O)O MCULE-8806588553 [0,1,0,1,0,0|0,0,0]=2 1461 B13R1.90 COC1CCCCC1NCC(=O)N MCULE-8300149781 [0,1,0,1,0,0|2,0,0]=4 1462 B13R1.90 COC1CCCCC1NCC(=O)O MCULE-8478049629 [0,1,0,1,0,0|1,0,0]=3 1463 B13R1.167 O=C(O)CCCCN1CCCC1=O MCULE-9177878757 [0,1,0,1,0,0|1,0,1]=4 1464 B13R1.279 C=C1CCCCCCCCCCC1 MCULE-1393925319 [0,1,0,1,0,0|2,0,0]=4 1465 B13R1.279 O=C1CCCCCCCCCCC1 MCULE-8431279332 [0,1,0,1,0,0|1,0,0]=3 1466 B13R1.279 O=C1CCCCCCCCCCN1 MCULE-7739147292 [0,1,0,1,0,0|1,0,0]=3 1467 B13R1.279 O=C1CCCCCCCCCCO1 MCULE-5646678690 [0,1,0,1,0,0|0,0,0]=2 1468 B13R1.279 OC1CCCCCCCCCCC1 MCULE-4246723921 [0,1,0,1,0,0|1,0,1]=4 1469 B13R1.283 O=C(O)CN1CCCCCCC1=O MCULE-5316467172 [0,1,0,1,0,0|1,0,1]=4 1470 B13R1.380 CCNC1CCCCC1NC(=O)C MCULE-2777817007 [0,1,0,1,0,0|2,0,0]=4 1471 B13R1.380 CCOC1COCCC1CC(=O)O MCULE-7139932596 [0,1,0,1,0,0|1,0,0]=3 1472 B13R1.380 COCC1CCCCN1CC(=O)O MCULE-9363416940 [0,1,0,1,0,0|1,0,0]=3 1473 B13R1.392 CCCC1SCCN1CCC(=O)N MCULE-6907563146 [0,1,0,1,0,0|2,0,0]=4 1474 B13R1.572 CCNCC1CCCCN1C(=O)C MCULE-9510324212 [0,1,0,1,0,0|2,0,0]=4 1475 B13R1.610 CCC1CCCCCC1NC(=O)C MCULE-1382386726 [0,1,0,1,0,0|1,0,0]=3 1476 B13R1.659 CCCCCCCCCCC1CO1 MCULE-4819613479 [0,1,0,1,0,0|1,0,1]=4 1477 B13R1.659 CCCCCCCCCC[C@@H]1CO1 MCULE-4884564986 [0,1,0,1,0,0|1,0,1]=4 1478 B13R1.659 CCCCCCCCOCC1CO1 MCULE-8564069898 [0,1,0,1,0,0|1,0,1]=4 1479 B13R1.1022 O=C(O)CCN1CCCCCCC1 MCULE-3702984614 [0,1,0,1,0,0|0,0,0]=2 1480 B13R1.1022 O=C(O)CCN1CCCCCCC1 MCULE-4571415668 [0,1,0,1,0,0|0,0,0]=2 1481 B13R1.1022 O=C(O)COC1C#CCCCCC1 MCULE-9286758727 [0,1,0,1,0,0|0,0,2]=4 1482 B13R1.9 CCCCCCC1CCC(=O)CC1 MCULE-8215721805 [0,1,0,1,0,0|1,0,0]=3 1483 B13R1.9 CCCCCCN1CCC(=O)CC1 MCULE-9197520812 [0,1,0,1,0,0|2,0,0]=4 1484 B13R1.527 COC(=O)CC1CCCCCC1=O MCULE-7980040182 [0,1,0,1,0,0|1,0,1]=4 1485 B13R1.528 COC(=O)CCC1CCCCC1=O MCULE-6511835645 [0,1,0,1,0,0|1,0,1]=4 1486 B13R1.528 COC(=O)CCN1CCCCC1C MCULE-8929818560 [0,1,0,1,0,0|1,0,0]=3 1487 B13R1.536 COC(=O)CCNCC1CCCC1 MCULE-8692054082 [0,1,0,1,0,0|1,0,0]=3 1488 B13R1.536 COC(=O)CCNCC1CCCO1 MCULE-2760624578 [0,1,0,1,0,0|2,0,0]=4 1489 B13R1.536 COC(=O)CCOCC1CCNC1 MCULE-3506589342 [0,1,0,1,0,0|2,0,0]=4 1490 B13R1.536 COC(=O)CCOCC1CCNC1 MCULE-9390752221 [0,1,0,1,0,0|2,0,0]=4 1491 B13R1.546 COC(=O)C1CCCCCCC1=O MCULE-2058547373 [0,1,0,1,0,0|1,0,1]=4 1492 B13R1.613 COC(=O)CCN1CCC[C@H]1CO MCULE-8738435926 [0,1,0,1,0,0|2,0,0]=4 1493 B13R1.623 COC1=NCCCCCCCCC1 MCULE-8082869157 [0,1,0,1,0,0|1,0,0]=3 1494 B13R1.718 CNC(=O)CCCC1CCNCC1 MCULE-9692635349 [0,1,0,1,0,0|2,0,0]=4 1495 B13R1.718 CNC(=O)CCNC1CCCCC1 MCULE-9756341626 [0,1,0,1,0,0|2,0,0]=4 1496 B13R1.718 COC(=O)CCCC1CCNCC1 MCULE-7580366096 [0,1,0,1,0,0|1,0,0]=3 1497 B13R1.718 COC(=O)CCCC1CCNCC1 MCULE-9217647970 [0,1,0,1,0,0|1,0,0]=3 1498 B13R1.718 COC(=O)CCCN1CCCCC1 MCULE-6840007912 [0,1,0,1,0,0|1,0,0]=3 1499 B13R1.718 COC(=O)CCCN1CCCCC1 MCULE-9231421014 [0,1,0,1,0,0|1,0,0]=3 1500 B13R1.718 COC(=O)CCCN1CCNCC1 MCULE-6927160903 [0,1,0,1,0,0|2,0,0]=4 1501 B13R1.718 COC(=O)CCCN1CCOCC1 MCULE-1569044371 [0,1,0,1,0,0|2,0,0]=4 1502 B13R1.718 COC(=O)CCCN1CCSCC1 MCULE-8202738986 [0,1,0,1,0,0|2,0,0]=4 1503 B13R1.718 COC(=O)CCNC1CCCCC1 MCULE-2199390487 [0,1,0,1,0,0|1,0,0]=3 1504 B13R1.718 COC(=O)CCNC1CCOCC1 MCULE-4160290559 [0,1,0,1,0,0|2,0,0]=4 1505 B13R1.718 COC(=O)CCOC1CCCCO1 MCULE-9346048746 [0,1,0,1,0,0|2,0,0]=4 1506 B13R1.718 COC(=O)CCOC1CCCNC1 MCULE-2837273563 [0,1,0,1,0,0|2,0,0]=4 1507 B13R1.718 COC(=O)CCOC1CCCNC1 MCULE-8847881863 [0,1,0,1,0,0|2,0,0]=4 1508 B13R1.718 COC(=O)CCOC1CCNCC1 MCULE-5235263362 [0,1,0,1,0,0|2,0,0]=4 1509 B13R1.718 COC(=O)CCOC1CCNCC1 MCULE-7461665740 [0,1,0,1,0,0|2,0,0]=4 1510 B13R1.718 COC(=O)NCCC1CCCCN1 MCULE-8941703851 [0,1,0,1,0,0|2,0,0]=4 1511 B13R1.718 N/C(=N\O)/CCCN1CCCCC1 MCULE-3963320917 [0,1,0,1,0,0|2,0,0]=4 1512 B13R1.718 NNC(=O)CCNC1CCCCC1 MCULE-6999872392 [0,1,0,1,0,0|2,0,0]=4 1513 B13R1.718 O=C(CCl)NCCC1CCCCC1 MCULE-5494147009 [0,1,0,1,0,0|2,0,0]=4 1514 B13R1.1711 COC(=O)CCN1CCCCCC1 MCULE-1344291062 [0,1,0,1,0,0|1,0,0]=3 1515 B13R1.1711 COC(=O)CCN1CCCCCC1 MCULE-4180090952 [0,1,0,1,0,0|1,0,0]=3 1516 B13R1.1711 N/C(=N/O)/CCN1CCCCCC1 MCULE-9472504349 [0,1,0,1,0,0|2,0,0]=4 1517 B13R1.1711 N=C(CCN1CCCCCC1)NO MCULE-9699269373 [0,1,0,1,0,0|2,0,0]=4 1518 B13R1.1711 NNC(=O)CCN1CCCCCC1 MCULE-6290889397 [0,1,0,1,0,0|2,0,0]=4 1519 B13R1.1870 CCC(=O)NC1CCCCCCC1 MCULE-9142981832 [0,1,0,1,0,0|2,0,0]=4 1520 B13R1.1870 O=C(CCl)NC1CCCCCCC1 MCULE-3469077952 [0,1,0,1,0,0|2,0,0]=4 1521 B13R1.89 CCC1CCCCN1C(=O)C(=O)O MCULE-5829012554 [0,1,0,1,0,0|1,0,1]=4 1522 B13R1.89 CCC1CCCCN1C(C)C(=O)O MCULE-2271207694 [0,1,0,1,0,0|1,0,0]=3 1523 B13R1.202 CC(CN1CCCCC1C)C(=O)O MCULE-1081042616 [0,1,0,1,0,0|1,0,0]=3 1524 B13R1.202 CC(CN1CCCCC1C)C(=O)O MCULE-6361210183 [0,1,0,1,0,0|1,0,0]=3 1525 B13R1.351 CC(NCC1CCCCC1)C(=O)O MCULE-2720403381 [0,1,0,1,0,0|1,0,0]=3 1526 B13R1.351 CC(NCC1CCCCC1)C(=O)O MCULE-3259030207 [0,1,0,1,0,0|1,0,0]=3 1527 B13R1.351 CC(OCC1CCCCO1)C(=O)O MCULE-1548150869 [0,1,0,1,0,0|2,0,0]=4 1528 B13R1.351 NC(CCC1CCCCC1)C(=O)O MCULE-6773728629 [0,1,0,1,0,0|0,0,0]=2 1529 B13R1.351 NC(CCC1CCCCC1)C(=O)O MCULE-9939535450 [0,1,0,1,0,0|0,0,0]=2 1530 B13R1.351 NC(CCN1CCCCC1)C(=O)O MCULE-5079669712 [0,1,0,1,0,0|1,0,0]=3 1531 B13R1.351 NC(CCN1CCOCC1)C(=O)O MCULE-2524453520 [0,1,0,1,0,0|2,0,0]=4 1532 B13R1.351 NC(CSC1CCCCO1)C(=O)O MCULE-3395292239 [0,1,0,1,0,0|2,0,0]=4 1533 B13R1.351 N[C@@H](CCC1CCCCC1)C(=O)O MCULE-9655484954 [0,1,0,1,0,0|0,0,0]=2 1534 B13R1.351 N[C@H](CCC1CCCCC1)C(=O)O MCULE-4334214625 [0,1,0,1,0,0|0,0,0]=2 1535 B13R1.351 [NH3+][C@@H](CCC1CCCCC1)C(=O)[O-] MCULE-9072026310 [0,1,0,1,0,0|0,0,1]=3 1536 B13R1.351 [NH3+][C@H](CCC1CCCCC1)C(=O)[O-] MCULE-8474360288 [0,1,0,1,0,0|0,0,1]=3 1537 B13R1.1110 NC(CCCC1CCCC1)C(=O)O MCULE-5570934377 [0,1,0,1,0,0|0,0,0]=2 1538 B13R1.1110 NC(CCCC1OCCO1)C(=O)O MCULE-7935670760 [0,1,0,1,0,0|2,0,0]=4 1539 B13R1.1110 N[C@@H](CCCC1OCCO1)C(=O)O MCULE-1165831858 [0,1,0,1,0,0|2,0,0]=4 1540 B13R1.1110 N[C@@H](CCCC1OCCO1)C(=O)O MCULE-5429309989 [0,1,0,1,0,0|2,0,0]=4 1541 B13R1.3714 CC1(CCCCCCC1O)C(=O)O MCULE-8004614755 [0,1,0,1,0,0|1,0,0]=3 1542 B13R1.6161 O=C(O)C(=O)N1CCCCCCC1 MCULE-4951955877 [0,1,0,1,0,0|1,0,1]=4 1543 B13R1.6161 O=C(O)C(O)C1CCCCCCC1 MCULE-5412766893 [0,1,0,1,0,0|0,0,0]=2 1544 B13R1.6192 CC(CC1CCCCCC1)C(=O)O MCULE-1246118295 [0,1,0,1,0,0|0,0,0]=2 1545 B13R1.6192 CC(CN1CCCCCC1)C(=O)O MCULE-3834677932 [0,1,0,1,0,0|1,0,0]=3 1546 B13R1.6192 CC(CN1CCCCCC1)C(=O)O MCULE-4875026121 [0,1,0,1,0,0|1,0,0]=3 1547 B13R1.6192 CC(OC1CCCCCC1)C(=O)O MCULE-5522776987 [0,1,0,1,0,0|1,0,0]=3 1548 B13R1.6192 NC(CC1CCCCCC1)C(=O)O MCULE-4714040866 [0,1,0,1,0,0|0,0,0]=2 1549 B13R1.6192 NC(CC1CCCCCC1)C(=O)O MCULE-7833248184 [0,1,0,1,0,0|0,0,0]=2 1550 B13R1.6192 N[C@@H](CC1CCCCCC1)C(=O)O MCULE-5047268774 [0,1,0,1,0,0|0,0,0]=2 1551 B13R1.6192 N[C@@H](CC1CCCCCC1)C(=O)O MCULE-5328740745 [0,1,0,1,0,0|0,0,0]=2 1552 B13R1.6192 O=C(O)C(=O)NC1CCCCCC1 MCULE-6082382741 [0,1,0,1,0,0|1,0,1]=4 1553 B13R1.45 CC(CCC(=O)O)N1CCCCC1 MCULE-8452909293 [0,1,0,1,0,0|1,0,0]=3 1554 B13R1.45 CC(CCC(=O)O)N1CCCCC1 MCULE-9886218531 [0,1,0,1,0,0|1,0,0]=3 1555 B13R1.45 CC(CCC(=O)O)N1CCOCC1 MCULE-4046356658 [0,1,0,1,0,0|2,0,0]=4 1556 B13R1.45 CC(CCC(=O)O)N1CCOCC1 MCULE-4890867015 [0,1,0,1,0,0|2,0,0]=4 1557 B13R1.45 CC(NCC(=O)O)C1CCCCC1 MCULE-2756589045 [0,1,0,1,0,0|1,0,0]=3 1558 B13R1.45 CC(NCC(=O)O)C1CCCCC1 MCULE-5542383016 [0,1,0,1,0,0|1,0,0]=3 1559 B13R1.45 CN(CCC(=O)N)C1CCCCC1 MCULE-7655249487 [0,1,0,1,0,0|2,0,0]=4 1560 B13R1.45 CN(CCC(=O)O)C1CCCCC1 MCULE-7260474012 [0,1,0,1,0,0|1,0,0]=3 1561 B13R1.45 CN(CCC(=O)O)C1CCCCC1 MCULE-9762479840 [0,1,0,1,0,0|1,0,0]=3 1562 B13R1.45 CN(CCC(=O)O)C1CCNCC1 MCULE-2164498182 [0,1,0,1,0,0|2,0,0]=4 1563 B13R1.45 CN(CCC(=O)O)C1CCNCC1 MCULE-3490689713 [0,1,0,1,0,0|2,0,0]=4 1564 B13R1.45 O=C(O)CCC(=O)C1CCCCC1 MCULE-1493453185 [0,1,0,1,0,0|0,0,1]=3 1565 B13R1.45 O=C(O)CCC(=O)N1CCCCC1 MCULE-1511480493 [0,1,0,1,0,0|1,0,1]=4 1566 B13R1.45 O=C(O)CNC(=O)C1CCCCC1 MCULE-3210620044 [0,1,0,1,0,0|1,0,1]=4 1567 B13R1.45 O=C(O)COC(=O)C1CCCCC1 MCULE-8130083457 [0,1,0,1,0,0|1,0,1]=4 1568 B13R1.344 O=C(O)CCC(=O)NC1CCCC1 MCULE-8430801996 [0,1,0,1,0,0|1,0,1]=4 1569 B13R1.344 O=C(O)CNC(=O)CC1CCCC1 MCULE-1168001743 [0,1,0,1,0,0|1,0,1]=4 1570 B13R1.3688 CCCCCCC1(CCC(=O)O1)C MCULE-5079376729 [0,1,0,1,0,0|0,0,0]=2 1571 B13R1.589 CC(=O)N1CCCCC1CC(=O)O MCULE-5429623351 [0,1,0,1,0,0|1,0,1]=4 1572 B13R1.589 CC(C)CN1CCCCC1C(=O)O MCULE-6048443233 [0,1,0,1,0,0|1,0,0]=3 1573 B13R1.589 O=C(O)[C@@H]1CCCCN1CC(F)F MCULE-9788860534 [0,1,0,1,0,0|2,0,0]=4 1574 B13R1.591 CN(C)CC1CCCN1CC(=O)O MCULE-2650974146 [0,1,0,1,0,0|2,0,0]=4 1575 B13R1.591 CN(C)C[C@@H]1CCCN1CC(=O)O MCULE-1435824314 [0,1,0,1,0,0|2,0,0]=4 1576 B13R1.1082 CC(=O)N1CCCCCC1C(=O)O MCULE-5244297135 [0,1,0,1,0,0|1,0,1]=4 1577 B13R1.3575 CC1(CCOCC1NCC(=O)O)O MCULE-7877125276 [0,1,0,1,0,0|2,0,0]=4 1578 B13R1.3576 CC(C)CCN1CCCC1C(=O)O MCULE-6426380598 [0,1,0,1,0,0|1,0,0]=3 1579 B13R1.164 CC(=O)OCC1CCC(CC1C)C MCULE-2038619254 [0,1,0,1,0,0|2,0,0]=4 1580 B13R1.467 CCCC(=O)N1CCCC1C(=O)O MCULE-4153877654 [0,1,0,1,0,0|1,0,1]=4 1581 B13R1.1080 O=C(O)CCCCCC(=O)C1CC1 MCULE-9232306834 [0,1,0,1,0,0|0,0,1]=3 1582 B13R2.10 O=C1CC(CN1)C2CCCCC2 MCULE-5365111775 [0,0,0,2,0,0|2,0,0]=4 1583 B13R2.10 O=C1NC(CO1)C2CCCCC2 MCULE-5694957688 [0,0,0,2,0,0|2,0,0]=4 1584 B13R2.10 O=C1NCC(O1)C2CCNCC2 MCULE-4728283043 [0,0,0,2,0,0|2,0,0]=4 1585 B13R2.10 O=C1NCC(O1)C2CCNCC2 MCULE-7450059292 [0,0,0,2,0,0|2,0,0]=4 1586 B13R2.142 O=C1NC(CO1)CC2CCCC2 MCULE-4963170434 [0,0,0,2,0,0|2,0,0]=4 1587 B13R2.13132 O=C1CC2(CCCCCC2)CN1 MCULE-1694313799 [0,0,0,2,0,0|2,0,0]=4 1588 B13R2.13132 O=C1CSC2(N1)CCCCCC2 MCULE-4430417895 [0,0,0,2,0,0|2,0,0]=4 1589 B13R2.13132 O=C1NCC2(O1)CCCNCC2 MCULE-6116897292 [0,0,0,2,0,0|2,0,0]=4 1590 B13R2.13 O=C1CCCC(C1)C2CCOC2 MCULE-1092469205 [0,0,0,2,0,0|2,0,0]=4 1591 B13R2.13 O=C1CCCN(C1)C2CCCC2 MCULE-4550856264 [0,0,0,2,0,0|2,0,0]=4 1592 B13R2.4820 O=C1NCCN2C1CCCCC2 MCULE-8739804132 [0,0,0,2,0,0|2,0,0]=4 1593 B13R2.11128 O=C1CCCC2(C1)CCCCC2 MCULE-3281261596 [0,0,0,2,0,0|1,0,0]=3 1594 B13R2.11128 O=C1CCCC2(C1)CCOCC2 MCULE-7735305722 [0,0,0,2,0,0|2,0,0]=4 1595 B13R2.11128 O=C1CCCC2(N1)CCNCC2 MCULE-6533567256 [0,0,0,2,0,0|2,0,0]=4 1596 B13R2.11128 O=C1CCCC2(N1)CCNCC2 MCULE-8865278284 [0,0,0,2,0,0|2,0,0]=4 1597 B13R2.11128 O=C1CCNC2(C1)CCCCC2 MCULE-3217120492 [0,0,0,2,0,0|2,0,0]=4 1598 B13R2.11128 O=C1CCNC2(C1)CCCCC2 MCULE-8293573385 [0,0,0,2,0,0|2,0,0]=4 1599 B13R2.11128 O=C1CCOC2(C1)CCCCC2 MCULE-1198662310 [0,0,0,2,0,0|2,0,0]=4 1600 B13R2.11128 O=C1NCCC2(O1)CCNCC2 MCULE-8042840058 [0,0,0,2,0,0|2,0,0]=4 1601 B13R2.11128 O=C1NCCC2(O1)CCNCC2 MCULE-9288337261 [0,0,0,2,0,0|2,0,0]=4 1602 B13R2.4776 O=C1CC2(N1)CCCCCCC2 MCULE-9060961345 [0,0,0,2,0,0|1,0,0]=3 1603 B13R2.72 O=C(O)C1CCC2N1CCCC2 MCULE-4118834395 [0,0,0,2,0,0|1,0,0]=3 1604 B13R2.72 O=C(O)C1CCC2N1CCCC2 MCULE-4612203082 [0,0,0,2,0,0|1,0,0]=3 1605 B13R2.72 O=C(O)C1COC2C1CCCC2 MCULE-8553023240 [0,0,0,2,0,0|1,0,0]=3 1606 B13R2.328 C12CCCC[C@H]1N[C@@H](CC2=O)C MCULE-4335754308 [0,0,0,2,0,0|2,0,0]=4 1607 B13R2.328 C12CCCC[C@H]1N[C@@H](CC2=O)C MCULE-5306781566 [0,0,0,2,0,0|2,0,0]=4 1608 B13R2.328 CC1CC(=O)C2CCCCC2N1 MCULE-2540374229 [0,0,0,2,0,0|2,0,0]=4 1609 B13R2.328 CC1CC(=O)C2CCCCC2N1 MCULE-5655008186 [0,0,0,2,0,0|2,0,0]=4 1610 B13R2.328 CC1CC(=O)C2CCCCC2N1 MCULE-8288165685 [0,0,0,2,0,0|2,0,0]=4 1611 B13R2.328 CC1CC(=O)C2CCCCC2S1 MCULE-4463034017 [0,0,0,2,0,0|2,0,0]=4 1612 B13R2.328 C[C@@H]1CC(=O)[C@@H]2CCCC[C@H]2N1 MCULE-2386498842 [0,0,0,2,0,0|2,0,0]=4 1613 B13R2.328 C[C@@H]1CC(=O)[C@@H]2CCCC[C@H]2N1 MCULE-2475202717 [0,0,0,2,0,0|2,0,0]=4 1614 B13R2.328 C[C@H]1CC(=O)[C@@H]2CCCC[C@H]2N1 MCULE-2628354998 [0,0,0,2,0,0|2,0,0]=4 1615 B13R2.689 O=C(O)CC1C2CCC1CNC2 MCULE-2900309229 [0,0,0,2,0,0|1,0,0]=3 1616 B13R2.689 O=C(O)CC1C2CCC1CNC2 MCULE-9834739088 [0,0,0,2,0,0|1,0,0]=3 1617 B13R2.1287 O=C(O)CC1CN2CCC1CC2 MCULE-2186174933 [0,0,0,2,0,0|1,0,0]=3 1618 B13R2.1287 O=C(O)CC1CN2CCC1CC2 MCULE-8087514480 [0,0,0,2,0,0|1,0,0]=3 1619 B13R2.1287 O=C(O)C[C@H]1CN2CCC1CC2 MCULE-4997766259 [0,0,0,2,0,0|1,0,0]=3 1620 B13R2.1287 O=C(O)C[C@H]1CN2CCC1CC2 MCULE-5057533567 [0,0,0,2,0,0|1,0,0]=3 1621 B13R2.2363 O=C1C[C@H]2CCCC[C@@]2(O1)CI MCULE-7491338706 [0,0,0,2,0,0|1,0,0]=3 1622 B13R2.430 O=C(O)C1CCC2CCNC2C1 MCULE-8290700817 [0,0,0,2,0,0|1,0,0]=3 1623 B13R2.1264 O=C(O)CCN1C2CCC1CC2 MCULE-4772261835 [0,0,0,2,0,0|1,0,0]=3 1624 B13R2.5551 CC(=O)OCC1CC2CCC1C2 MCULE-7694316868 [0,0,0,2,0,0|2,0,0]=4 1625 B13R2.5551 O=C(O)CCC1CC2CCC1C2 MCULE-4286233335 [0,0,0,2,0,0|0,0,0]=2 1626 B13R2.5551 O=C(O)CCN1CC2CCC1C2 MCULE-3732906303 [0,0,0,2,0,0|1,0,0]=3 1627 B13R2.5551 O=C(O)CCN1CC2CCC1C2 MCULE-4468193962 [0,0,0,2,0,0|1,0,0]=3 1628 B13R2.34 O=C1CCC2CCCCC2(O1)O MCULE-4368144116 [0,0,0,2,0,0|1,0,0]=3 1629 B13R2.435 NC(=O)C1CC2CCCCC2N1 MCULE-8530155593 [0,0,0,2,0,0|2,0,0]=4 1630 B13R2.435 O=C(Cl)N1C[C@H]2CCCC[C@H]2C1 MCULE-2530618262 [0,0,0,2,0,0|2,0,0]=4 1631 B13R2.435 O=C(O)C1CC2CCCCC2C1 MCULE-6091123641 [0,0,0,2,0,0|0,0,0]=2 1632 B13R2.435 O=C(O)C1CC2CCCCC2N1 MCULE-6802061208 [0,0,0,2,0,0|1,0,0]=3 1633 B13R2.435 O=C(O)C1CC2CCCCC2N1 MCULE-7004970623 [0,0,0,2,0,0|1,0,0]=3 1634 B13R2.435 O=C(O)C1CC2CCCCN2C1 MCULE-4918778870 [0,0,0,2,0,0|1,0,0]=3 1635 B13R2.435 O=C(O)C1CC2CCCCN2C1 MCULE-9726686116 [0,0,0,2,0,0|1,0,0]=3 1636 B13R2.435 O=C(O)C1C[C@@H]2CCCC[C@@H]2N1 MCULE-3462068965 [0,0,0,2,0,0|1,0,0]=3 1637 B13R2.435 O=C(O)[C@@H]1CC2CCCCC2N1 MCULE-4459302110 [0,0,0,2,0,0|1,0,0]=3 1638 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 MCULE-9624120898 [0,0,0,2,0,0|1,0,0]=3 1639 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 MCULE-9787261604 [0,0,0,2,0,0|1,0,0]=3 1640 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1 MCULE-3742864202 [0,0,0,2,0,0|1,0,0]=3 1641 B13R2.435 O=C(O)[C@H]1CC2CCCCC2N1 MCULE-8545435992 [0,0,0,2,0,0|1,0,0]=3 1642 B13R2.435 O=C(O)[C@H]1C[C@@H]2CCCC[C@@H]2N1 MCULE-7693154244 [0,0,0,2,0,0|1,0,0]=3 1643 B13R2.435 O=C(O)[C@H]1C[C@@H]2CCCC[C@@H]2N1 MCULE-9357986014 [0,0,0,2,0,0|1,0,0]=3 1644 B13R2.435 O=C(O)[C@H]1C[C@@H]2CCCC[C@H]2N1 MCULE-2451554101 [0,0,0,2,0,0|1,0,0]=3 1645 B13R2.435 O=C(O)[C@H]1C[C@H]2CCCC[C@H]2N1 MCULE-3470631244 [0,0,0,2,0,0|1,0,0]=3 1646 B13R2.435 [C@@H]12CCCC[C@@H]1NC(C2)C(=O)O MCULE-6709645789 [0,0,0,2,0,0|1,0,0]=3 1647 B13R2.435 [C@@H]12CCCC[C@@H]1NC(C2)C(=O)O MCULE-9456550686 [0,0,0,2,0,0|1,0,0]=3 1648 B13R2.435 [C@@H]12CCCC[C@@H]1N[C@@H](C2)C(=O)O MCULE-1804340526 [0,0,0,2,0,0|1,0,0]=3 1649 B13R2.435 [C@@H]12CCCC[C@@H]1N[C@@H](C2)C(=O)O MCULE-8883332709 [0,0,0,2,0,0|1,0,0]=3 1650 B13R2.435 [C@@H]12CCCC[C@@H]1N[C@H](C2)C(=O)O MCULE-1232021530 [0,0,0,2,0,0|1,0,0]=3 1651 B13R2.435 [C@@H]12CCCC[C@@H]1N[C@H](C2)C(=O)O MCULE-5852129906 [0,0,0,2,0,0|1,0,0]=3 1652 B13R2.435 [C@@H]12CCCC[C@@H]1N[C@H](C2)C(=O)O MCULE-9583363610 [0,0,0,2,0,0|1,0,0]=3 1653 B13R2.435 [C@@H]12CCCC[C@H]1N[C@@H](C2)C(=O)O MCULE-5210507429 [0,0,0,2,0,0|1,0,0]=3 1654 B13R2.435 [C@H]12CCCC[C@@H]1C[C@@H](N2)C(=O)O MCULE-4005791171 [0,0,0,2,0,0|1,0,0]=3 1655 B13R2.435 [C@H]12CCCC[C@@H]1C[C@H](N2)C(=O)O MCULE-2146432887 [0,0,0,2,0,0|1,0,0]=3 1656 B13R2.435 [C@H]12CCCC[C@@H]1C[C@H](N2)C(=O)O MCULE-6796005707 [0,0,0,2,0,0|1,0,0]=3 1657 B13R2.435 [C@H]12CCCC[C@@H]1C[C@H](N2)C(=O)O MCULE-6834732208 [0,0,0,2,0,0|1,0,0]=3 1658 B13R2.435 [C@H]12CCCC[C@H]1N[C@@H](C2)C(=O)O MCULE-6455346553 [0,0,0,2,0,0|1,0,0]=3 1659 B13R2.435 [C@H]12CCCC[C@H]1N[C@@H](C2)C(=O)O MCULE-9853479694 [0,0,0,2,0,0|1,0,0]=3 1660 B13R2.435 [C@H]12CCCC[C@H]1N[C@H](C2)C(=O)O MCULE-5438862774 [0,0,0,2,0,0|1,0,0]=3 1661 B13R2.435 [C@H]12CCCC[C@H]1N[C@H](C2)C(=O)O MCULE-8630293837 [0,0,0,2,0,0|1,0,0]=3 1662 B13R2.3771 O=C(O)C1CC2CC1CCC2O MCULE-3718276186 [0,0,0,2,0,0|1,0,0]=3 1663 B13R2.4742 O=C1CC2CCC1CC2C(=O)O MCULE-6324277047 [0,0,0,2,0,0|1,0,1]=4 1664 B13R2.4023 O=C1OC(=O)[C@H]2[C@@H]1CCCCC2 MCULE-5226875736 [0,0,0,2,0,0|1,0,1]=4 1665 B13R2.218 [C@H]12CCN[C@@H]1CCCCC(=O)N2 MCULE-9200443505 [0,0,0,2,0,0|2,0,0]=4 1666 B13R2.393 O=C1CCCCC2OC2CCC1 MCULE-3625027376 [0,0,0,2,0,0|2,0,0]=4 1667 B13R2.423 NC(=O)C1CC1C2CCCCC2 MCULE-9934089691 [0,0,0,2,0,0|1,0,0]=3 1668 B13R2.423 NC(=O)C1CC1C2CCNCC2 MCULE-4045432698 [0,0,0,2,0,0|2,0,0]=4 1669 B13R2.423 NC(=O)C1CC1C2CCOCC2 MCULE-2242722776 [0,0,0,2,0,0|2,0,0]=4 1670 B13R2.423 O=C(O)C1CC1C2CCCCC2 MCULE-5173796359 [0,0,0,2,0,0|0,0,0]=2 1671 B13R2.423 O=C(O)C1CC1C2CCOCC2 MCULE-6102482063 [0,0,0,2,0,0|1,0,0]=3 1672 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2CCOCC2 MCULE-9221698682 [0,0,0,2,0,0|1,0,0]=3 1673 B13R2.423 OB(O)[C@H]1C[C@@H]1C2CCCCC2 MCULE-1201644347 [0,0,0,2,0,0|1,0,1]=4 1674 B13R2.437 O=C(O)C1CCC12CCOCC2 MCULE-3586385235 [0,0,0,2,0,0|1,0,0]=3 1675 B13R2.437 O=C(O)C1NCC12CCOCC2 MCULE-3634033812 [0,0,0,2,0,0|2,0,0]=4 1676 B13R2.437 O=C(O)C1NCC12CCOCC2 MCULE-4318170624 [0,0,0,2,0,0|2,0,0]=4 1677 B13R2.35 O=C(O)C1CCCC12OCCO2 MCULE-9571094471 [0,0,0,2,0,0|2,0,0]=4 1678 B13R2.35 O=C(O)C1CNCC12CCCC2 MCULE-4815726842 [0,0,0,2,0,0|1,0,0]=3 1679 B13R2.35 O=C(O)C1CNCC12CCCC2 MCULE-5146730782 [0,0,0,2,0,0|1,0,0]=3 1680 B13R2.35 O=C(O)C1CNCC12CCOC2 MCULE-2765980078 [0,0,0,2,0,0|2,0,0]=4 1681 B13R2.35 O=C(O)C1CNCC12CCOC2 MCULE-6230116749 [0,0,0,2,0,0|2,0,0]=4 1682 B13R2.432 O=C(O)C1CCN1C2CCCC2 MCULE-2301245966 [0,0,0,2,0,0|1,0,0]=3 1683 B13R2.5569 O=C(O)C1CCCC2N1CCC2 MCULE-3008097174 [0,0,0,2,0,0|1,0,0]=3 1684 B13R2.5569 O=C(O)C1CCCC2N1CCC2 MCULE-8879144306 [0,0,0,2,0,0|1,0,0]=3 1685 B13R2.5569 O=C(O)C1NCCN2C1CCC2 MCULE-3315516560 [0,0,0,2,0,0|2,0,0]=4 1686 B13R2.5569 O=C(O)C1NCCN2C1CCC2 MCULE-9853182064 [0,0,0,2,0,0|2,0,0]=4 1687 B13R2.5602 NC(=O)C1CCCN1C2CCC2 MCULE-3508298305 [0,0,0,2,0,0|2,0,0]=4 1688 B13R2.5514 O=C(O)C1CCCCC1C2CC2 MCULE-3389562573 [0,0,0,2,0,0|0,0,0]=2 1689 B13R2.13663 O=C(O)C12CCCCC1CNC2 MCULE-5397839077 [0,0,0,2,0,0|1,0,0]=3 1690 B13R2.13663 O=C(O)C12CCCCC1OCC2 MCULE-2319230396 [0,0,0,2,0,0|1,0,0]=3 1691 B13R2.13663 O=C(O)C12CCCCN1CCC2 MCULE-8267919414 [0,0,0,2,0,0|1,0,0]=3 1692 B13R2.13663 O=C(O)C12CCOC1CCOC2 MCULE-2974999086 [0,0,0,2,0,0|2,0,0]=4 1693 B13R2.13663 O=C(O)C12CCOCC1CNC2 MCULE-8730689047 [0,0,0,2,0,0|2,0,0]=4 1694 B13R2.13779 O=C(O)C1C2CCCC1CNC2 MCULE-7788313787 [0,0,0,2,0,0|1,0,0]=3 1695 B13R2.13779 O=C(O)C1C2CCCC1CNC2 MCULE-7964508526 [0,0,0,2,0,0|1,0,0]=3 1696 B13R2.13779 O=C(O)N1C2CCCC1COC2 MCULE-9959583097 [0,0,0,2,0,0|2,0,0]=4 1697 B13R2.249 CCCN1C2CCC1CC(=O)C2 MCULE-1798722340 [0,0,0,2,0,0|2,0,0]=4 1698 B13R2.14125 O=C(Cl)CC12CCCN1CCC2 MCULE-8845354591 [0,0,0,2,0,0|2,0,0]=4 1699 B13R2.14125 O=C(O)CC12CCCN1CCC2 MCULE-1660476699 [0,0,0,2,0,0|1,0,0]=3 1700 B13R2.14125 O=C(O)CC12CCCN1CCC2 MCULE-5490443424 [0,0,0,2,0,0|1,0,0]=3 1701 B13R2.5574 NC(=O)C1CCCN1CC2CC2 MCULE-8695310168 [0,0,0,2,0,0|2,0,0]=4 1702 B13R2.5574 O=C(O)C1CCCN1CC2CC2 MCULE-4228610711 [0,0,0,2,0,0|1,0,0]=3 1703 B13R2.5574 O=C(O)C1CCCN1CC2CC2 MCULE-4736920559 [0,0,0,2,0,0|1,0,0]=3 1704 B13R2.5574 O=C(O)[C@@H]1CCCN1CC2CC2 MCULE-1448299340 [0,0,0,2,0,0|1,0,0]=3 1705 B13R2.5574 O=C(O)[C@@H]1CCCN1CC2CC2 MCULE-2252618228 [0,0,0,2,0,0|1,0,0]=3 1706 B13R2.13776 O=C(O)C1C2C1CCCCCC2 MCULE-8380174359 [0,0,0,2,0,0|0,0,0]=2