0 B11R0.40 C=C(C=O)CCCCCCCC MCULE-1736101056 [0,0,0,0,0,0|3,0,0]=3 1 B11R0.40 C=CC(=O)NCCCCCCN MCULE-5613068538 [0,0,0,0,0,0|3,0,1]=4 2 B11R0.40 C=CC(=O)OCCCCCCBr MCULE-5257957188 [0,0,0,0,0,0|3,0,1]=4 3 B11R0.40 C=CC(=O)OCCCCCCO MCULE-8684012773 [0,0,0,0,0,0|3,0,1]=4 4 B11R0.40 C=CS(=O)CCCCCCCC MCULE-1360438768 [0,0,0,0,0,0|2,0,1]=3 5 B11R0.40 CCCCC/C=C/CC(=O)OC MCULE-2579151246 [0,0,0,0,0,0|0,0,2]=2 6 B11R0.40 CCCCCCC#CC(=O)OC MCULE-7877194626 [0,0,0,0,0,0|0,0,2]=2 7 B11R0.40 CCCCCCC=CC(=O)OC MCULE-3102057992 [0,0,0,0,0,0|0,0,2]=2 8 B11R0.40 CCCCCCCCC(=O)C=O MCULE-2896760493 [0,0,0,0,0,0|2,0,0]=2 9 B11R0.40 CCCCCCCCC(=O)CC MCULE-9958837588 [0,0,0,0,0,0|1,0,0]=1 10 B11R0.40 CCCCCCCCC(=O)NN MCULE-6560373796 [0,0,0,0,0,0|2,0,0]=2 11 B11R0.40 CCCCCCCCC(=O)NO MCULE-7098688577 [0,0,0,0,0,0|2,0,0]=2 12 B11R0.40 CCCCCCCCC(=O)OC MCULE-4760106079 [0,0,0,0,0,0|0,0,0]=0 13 B11R0.40 CCCCCCCCC(Br)CBr MCULE-7825522302 [0,0,0,0,0,0|3,0,1]=4 14 B11R0.40 CCCCCCCCC(C)C#N MCULE-1011753357 [0,0,0,0,0,0|3,0,1]=4 15 B11R0.40 CCCCCCCCC(C)C=O MCULE-9301043210 [0,0,0,0,0,0|3,0,1]=4 16 B11R0.40 CCCCCCCCC(C)CO MCULE-6530142953 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.40 CCCCCCCCC(Cl)CCl MCULE-6741925726 [0,0,0,0,0,0|3,0,1]=4 18 B11R0.40 CCCCCCCCC(N)CO MCULE-3838512887 [0,0,0,0,0,0|3,0,1]=4 19 B11R0.40 CCCCCCCCC(O)CC MCULE-7447063642 [0,0,0,0,0,0|1,0,2]=3 20 B11R0.40 CCCCCCCCC(O)CN MCULE-1386452336 [0,0,0,0,0,0|2,0,2]=4 21 B11R0.40 CCCCCCCCC(O)CO MCULE-4401791520 [0,0,0,0,0,0|2,0,2]=4 22 B11R0.40 CCCCCCCCC([NH3+])CO MCULE-9745638839 [0,0,0,0,0,0|3,0,1]=4 23 B11R0.40 CCCCCCCC[C@@H](Br)C=O MCULE-3823724408 [0,0,0,0,0,0|3,0,1]=4 24 B11R0.40 CCCCCCCC[C@@H](O)CO MCULE-3097644735 [0,0,0,0,0,0|2,0,2]=4 25 B11R0.40 CCCCCCCC[C@@H](O)CO MCULE-9306542938 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.40 CCCCCCCC[C@H](C)C=O MCULE-7337993182 [0,0,0,0,0,0|3,0,1]=4 27 B11R0.40 CCCCCCCNC(=O)CBr MCULE-3010395952 [0,0,0,0,0,0|3,0,0]=3 28 B11R0.40 CCCCCCCOC(=O)CC MCULE-6239287032 [0,0,0,0,0,0|2,0,0]=2 29 B11R0.40 CCCCCCCOC(=O)CCl MCULE-6089837080 [0,0,0,0,0,0|3,0,0]=3 30 B11R0.40 CCCCCCCOC(=O)CS MCULE-3304894936 [0,0,0,0,0,0|3,0,0]=3 31 B11R0.40 CCCCOCCNC(=O)CCl MCULE-1053170511 [0,0,0,0,0,0|4,0,0]=4 32 B11R0.40 CCCCOCCOC(=O)CN MCULE-1848119209 [0,0,0,0,0,0|4,0,0]=4 33 B11R0.40 CCCCOCCOC(=O)CN MCULE-3516651131 [0,0,0,0,0,0|4,0,0]=4 34 B11R0.40 CCCCOCCOC(=O)NC MCULE-3584012789 [0,0,0,0,0,0|3,0,0]=3 35 B11R0.40 CNC(=O)CCNCCCOC MCULE-2191403434 [0,0,0,0,0,0|3,0,0]=3 36 B11R0.40 COC(=O)CCCCCCC#N MCULE-5476473532 [0,0,0,0,0,0|1,0,1]=2 37 B11R0.40 COC(=O)CCCCCCC=O MCULE-8693929860 [0,0,0,0,0,0|1,0,1]=2 38 B11R0.40 COC(=O)CCCCCCCBr MCULE-5537473467 [0,0,0,0,0,0|1,0,0]=1 39 B11R0.40 COC(=O)CCCCCCCCl MCULE-1981178961 [0,0,0,0,0,0|1,0,0]=1 40 B11R0.40 COC(=O)CCCCCCCN MCULE-3361449332 [0,0,0,0,0,0|1,0,0]=1 41 B11R0.40 COC(=O)CCCCCCCN MCULE-5266446188 [0,0,0,0,0,0|1,0,0]=1 42 B11R0.40 COC(=O)CCCCCCCO MCULE-4577508073 [0,0,0,0,0,0|1,0,0]=1 43 B11R0.40 COC(=O)CCCCCN=C=O MCULE-2366405696 [0,0,0,0,0,0|2,0,1]=3 44 B11R0.40 COC(=O)CCCCCN=N#N MCULE-7319229848 [0,0,0,0,0,0|3,0,0]=3 45 B11R0.40 COC(=O)CCOCCN=N#N MCULE-9256418281 [0,0,0,0,0,0|4,0,0]=4 46 B11R0.40 COCCCNCCC(=O)NN MCULE-2348751239 [0,0,0,0,0,0|4,0,0]=4 47 B11R0.40 COCCCNCCC(=O)OC MCULE-4020268298 [0,0,0,0,0,0|2,0,0]=2 48 B10R0.4 C#CCCCCCCC(=O)O MCULE-9844370313 [1,0,0,0,0,0|0,0,2]=3 49 B10R0.4 C(=CC(=O)O)CCCCCC MCULE-5063564829 [1,0,0,0,0,0|0,0,2]=3 50 B10R0.4 C=C(Br)CCCCCCCC MCULE-6632348327 [1,0,0,0,0,0|1,0,1]=3 51 B10R0.4 C=C(Br)CCCCCCCCl MCULE-7158264521 [1,0,0,0,0,0|2,0,1]=4 52 B10R0.4 C=C(C)CCCCCCC#N MCULE-2126378309 [1,0,0,0,0,0|2,0,1]=4 53 B10R0.4 C=C(C)CCCCCCCC MCULE-2486247417 [1,0,0,0,0,0|1,0,0]=2 54 B10R0.4 C=C(C)CCCCCCCCl MCULE-1277821807 [1,0,0,0,0,0|2,0,0]=3 55 B10R0.4 C=C(Cl)CCCCCCCC MCULE-5745154351 [1,0,0,0,0,0|1,0,1]=3 56 B10R0.4 C=C(Cl)CCCCCCCCl MCULE-2676680423 [1,0,0,0,0,0|2,0,1]=4 57 B10R0.4 C=CCCCCCCC(=C)C MCULE-8947679436 [1,0,0,0,0,0|1,0,2]=4 58 B10R0.4 C=CCCCCCCC(=O)C MCULE-3952725967 [1,0,0,0,0,0|0,0,2]=3 59 B10R0.4 C=CCCCCCCC(=O)O MCULE-3663585072 [1,0,0,0,0,0|0,0,2]=3 60 B10R0.4 C=CCCCCCOC(=O)C MCULE-7198359038 [1,0,0,0,0,0|1,0,2]=4 61 B10R0.4 CC(=O)CCCCCCCO MCULE-6975960500 [1,0,0,0,0,0|1,0,0]=2 62 B10R0.4 CC(=O)NCCCCCCN MCULE-6988947031 [1,0,0,0,0,0|2,0,0]=3 63 B10R0.4 CC(=O)OCCCCCCBr MCULE-9658847674 [1,0,0,0,0,0|2,0,0]=3 64 B10R0.4 CC(=O)OCCCCCCCl MCULE-2777138332 [1,0,0,0,0,0|2,0,0]=3 65 B10R0.4 CC(=O)SCCCCCCN MCULE-6118060031 [1,0,0,0,0,0|2,0,0]=3 66 B10R0.4 CC(=O)SCCCCCCN MCULE-7116355086 [1,0,0,0,0,0|2,0,0]=3 67 B10R0.4 CC(C)CCCCCCCO MCULE-6712139024 [1,0,0,0,0,0|2,0,1]=4 68 B10R0.4 CCCC/C=C/COC(=O)C MCULE-5121036018 [1,0,0,0,0,0|1,0,2]=4 69 B10R0.4 CCCCC/C=C/CC(=O)O MCULE-1378284129 [1,0,0,0,0,0|0,0,2]=3 70 B10R0.4 CCCCC=CCOC(=O)C MCULE-9678532361 [1,0,0,0,0,0|1,0,2]=4 71 B10R0.4 CCCCCC/C=C/C(=O)O MCULE-8167234483 [1,0,0,0,0,0|0,0,2]=3 72 B10R0.4 CCCCCC=CCC(=O)O MCULE-5507503933 [1,0,0,0,0,0|0,0,2]=3 73 B10R0.4 CCCCCCC=CC(=O)C MCULE-7025674174 [1,0,0,0,0,0|0,0,2]=3 74 B10R0.4 CCCCCCCCB(O)O MCULE-9483383226 [1,0,0,0,0,0|1,0,1]=3 75 B10R0.4 CCCCCCCCC(=N)N MCULE-1846296312 [1,0,0,0,0,0|2,0,0]=3 76 B10R0.4 CCCCCCCCC(=O)C MCULE-6168357226 [1,0,0,0,0,0|0,0,0]=1 77 B10R0.4 CCCCCCCCC(=O)Cl MCULE-7596715750 [1,0,0,0,0,0|1,0,0]=2 78 B10R0.4 CCCCCCCCC(=O)N MCULE-6415702858 [1,0,0,0,0,0|1,0,0]=2 79 B10R0.4 CCCCCCCCC(=O)O MCULE-4736597375 [1,0,0,0,0,0|0,0,0]=1 80 B10R0.4 CCCCCCCCC(=O)[O-] MCULE-1077439841 [1,0,0,0,0,0|0,0,1]=2 81 B10R0.4 CCCCCCCCC(C)C MCULE-3505579656 [1,0,0,0,0,0|1,0,1]=3 82 B10R0.4 CCCCCCCCC(C)O MCULE-3577613701 [1,0,0,0,0,0|0,0,2]=3 83 B10R0.4 CCCCCCCCN(=O)=O MCULE-2507397154 [1,0,0,0,0,0|1,0,1]=3 84 B10R0.4 CCCCCCCCN(C)C MCULE-2841483956 [1,0,0,0,0,0|2,0,0]=3 85 B10R0.4 CCCCCCCCN(C)C MCULE-8695073136 [1,0,0,0,0,0|2,0,0]=3 86 B10R0.4 CCCCCCCC[C@@H](C)Br MCULE-8624556030 [1,0,0,0,0,0|1,0,1]=3 87 B10R0.4 CCCCCCCC[C@@H](C)O MCULE-6511994487 [1,0,0,0,0,0|0,0,2]=3 88 B10R0.4 CCCCCCCC[C@H](C)O MCULE-7200709868 [1,0,0,0,0,0|0,0,2]=3 89 B10R0.4 CCCCCCCNC(=O)C MCULE-3916780915 [1,0,0,0,0,0|1,0,0]=2 90 B10R0.4 CCCCCCCNC(=S)N MCULE-7534812314 [1,0,0,0,0,0|2,1,0]=4 91 B10R0.4 CCCCCCCOC(=O)C MCULE-7061891812 [1,0,0,0,0,0|1,0,0]=2 92 B10R0.4 CCCCCCCOC(=O)Cl MCULE-9018506867 [1,0,0,0,0,0|2,0,0]=3 93 B10R0.4 CCCCCCCOC(=S)[S-] MCULE-1608327732 [1,0,0,0,0,0|1,2,0]=4 94 B10R0.4 CCCCCCCOC(=S)[S-] MCULE-7650100616 [1,0,0,0,0,0|1,2,0]=4 95 B10R0.4 CCCCCCCSC(=[NH2+])N MCULE-2803933619 [1,0,0,0,0,0|3,0,0]=4 96 B10R0.4 CCCCCCCSC(=[NH2+])N MCULE-5565074928 [1,0,0,0,0,0|3,0,0]=4 97 B10R0.4 CCCCCCNCC(=O)O MCULE-3361498309 [1,0,0,0,0,0|1,0,0]=2 98 B10R0.4 CCCCCCNCC(C)O MCULE-5617215322 [1,0,0,0,0,0|1,0,2]=4 99 B10R0.4 CCCCCCOCC(=O)O MCULE-6951993364 [1,0,0,0,0,0|1,0,0]=2 100 B10R0.4 CCCCCCSCC(=O)O MCULE-5086023021 [1,0,0,0,0,0|1,0,0]=2 101 B10R0.4 CCCCOCCOC(=O)C MCULE-4906127008 [1,0,0,0,0,0|2,0,0]=3 102 B10R0.4 CCCCSCCCC(=O)O MCULE-5928316679 [1,0,0,0,0,0|1,0,0]=2 103 B10R0.4 CCOCCCCCC(=O)O MCULE-9514442276 [1,0,0,0,0,0|1,0,0]=2 104 B10R0.4 CCOCCOCCC(=O)O MCULE-7483626719 [1,0,0,0,0,0|2,0,0]=3 105 B10R0.4 CN(C)CCCCCCCN MCULE-9345898285 [1,0,0,0,0,0|3,0,0]=4 106 B10R0.4 COCCCCCCN(=O)=O MCULE-3117222018 [1,0,0,0,0,0|2,0,1]=4 107 B10R0.4 COCCCNCCC(=O)N MCULE-2468408250 [1,0,0,0,0,0|3,0,0]=4 108 B10R0.4 COCCCOCCC(=O)O MCULE-5178930362 [1,0,0,0,0,0|2,0,0]=3 109 B10R0.4 COCCOCCOC(=O)C MCULE-6392138253 [1,0,0,0,0,0|3,0,0]=4 110 B10R0.4 CSCCCCCCC(=O)O MCULE-9976800222 [1,0,0,0,0,0|1,0,0]=2 111 B10R0.4 N#N=NCCCCCC(=O)O MCULE-1473761098 [1,0,0,0,0,0|3,0,0]=4 112 B10R0.4 NC(=O)CCCCCCCBr MCULE-4427479699 [1,0,0,0,0,0|2,0,0]=3 113 B10R0.4 NCCCCCCCC(=O)O MCULE-2737882810 [1,0,0,0,0,0|1,0,0]=2 114 B10R0.4 NCCCCCCCC(=O)O MCULE-4269382976 [1,0,0,0,0,0|1,0,0]=2 115 B10R0.4 NCCCCCCNC(=O)O MCULE-3865214371 [1,0,0,0,0,0|2,0,0]=3 116 B10R0.4 NCCCNCCCC(=O)O MCULE-2780784491 [1,0,0,0,0,0|2,0,0]=3 117 B10R0.4 NCCCNCCCC(=O)O MCULE-8488597292 [1,0,0,0,0,0|2,0,0]=3 118 B10R0.4 NCCOCCOCC(=O)O MCULE-8111157626 [1,0,0,0,0,0|3,0,0]=4 119 B10R0.4 NCCOCCOCC(=O)O MCULE-9455562840 [1,0,0,0,0,0|3,0,0]=4 120 B10R0.4 O=C(Cl)CCCCCCCBr MCULE-5775098735 [1,0,0,0,0,0|2,0,0]=3 121 B10R0.4 O=C(O)CCCCCCCBr MCULE-6425557416 [1,0,0,0,0,0|1,0,0]=2 122 B10R0.4 O=C(O)CCCCCCCO MCULE-1839591073 [1,0,0,0,0,0|1,0,0]=2 123 B10R0.4 O=C(O)CCCCCCCS MCULE-6555950664 [1,0,0,0,0,0|1,0,0]=2 124 B10R0.4 O=C(O)COCCOCCCl MCULE-2275317201 [1,0,0,0,0,0|3,0,0]=4 125 B10R0.4 O=C(O)COCCOCCO MCULE-1507756107 [1,0,0,0,0,0|3,0,0]=4 126 B10R0.4 O=CCCCCCCC(=O)O MCULE-3146118588 [1,0,0,0,0,0|1,0,1]=3 127 B10R0.4 O=CNCCCCCC(=O)O MCULE-1392572274 [1,0,0,0,0,0|2,0,1]=4 128 B10R0.4 O=N(=O)CCCCCCCO MCULE-6021483764 [1,0,0,0,0,0|2,0,1]=4 129 B10R0.4 [C@H](C)(O)CCCCCCCC MCULE-7849954701 [1,0,0,0,0,0|0,0,2]=3 130 B10R0.71 C#CCCCCCCCCC MCULE-3352869074 [1,0,0,0,0,0|1,0,2]=4 131 B10R0.71 C=CCCCCCCCCC MCULE-8437878932 [1,0,0,0,0,0|1,0,2]=4 132 B10R0.71 C=COCCCCCCCC MCULE-9207967577 [1,0,0,0,0,0|2,0,1]=4 133 B10R0.71 CCC#CCCCCCCC MCULE-4172735383 [1,0,0,0,0,0|1,0,2]=4 134 B10R0.71 CCCCCCCC=CC=O MCULE-8898697953 [1,0,0,0,0,0|2,0,1]=4 135 B10R0.71 CCCCCCCC=CCO MCULE-3462895858 [1,0,0,0,0,0|2,0,1]=4 136 B10R0.71 CCCCCCCCC#CBr MCULE-1192896759 [1,0,0,0,0,0|2,0,1]=4 137 B10R0.71 CCCCCCCCC#CO MCULE-7543737628 [1,0,0,0,0,0|2,0,1]=4 138 B10R0.71 CCCCCCCCCC#N MCULE-1090480870 [1,0,0,0,0,0|2,0,1]=4 139 B10R0.71 CCCCCCCCCC=O MCULE-1782320282 [1,0,0,0,0,0|2,0,1]=4 140 B10R0.71 CCCCCCCCCCBr MCULE-1805531766 [1,0,0,0,0,0|2,0,1]=4 141 B10R0.71 CCCCCCCCCCC MCULE-7319807036 [1,0,0,0,0,0|1,0,1]=3 142 B10R0.71 CCCCCCCCCCCl MCULE-7602190189 [1,0,0,0,0,0|2,0,1]=4 143 B10R0.71 CCCCCCCCCCF MCULE-6490238051 [1,0,0,0,0,0|2,0,1]=4 144 B10R0.71 CCCCCCCCCCI MCULE-6718970716 [1,0,0,0,0,0|2,0,1]=4 145 B10R0.71 CCCCCCCCCCN MCULE-3389198970 [1,0,0,0,0,0|2,0,1]=4 146 B10R0.71 CCCCCCCCCCO MCULE-7579570663 [1,0,0,0,0,0|2,0,1]=4 147 B10R0.71 CCCCCCCCCCS MCULE-5945458624 [1,0,0,0,0,0|2,0,1]=4 148 B10R0.71 CCCCCCCCCNC MCULE-3969866054 [1,0,0,0,0,0|1,0,1]=3 149 B10R0.71 CCCCCCCCCNC MCULE-6631883657 [1,0,0,0,0,0|1,0,1]=3 150 B10R0.71 CCCCCCCCCOC MCULE-3906263885 [1,0,0,0,0,0|0,0,1]=2 151 B10R0.71 CCCCCCCCCON MCULE-2563186433 [1,0,0,0,0,0|1,0,1]=3 152 B10R0.71 CCCCCCCCCSC MCULE-9001057781 [1,0,0,0,0,0|0,1,1]=3 153 B10R0.71 CCCCCCCCN=C=O MCULE-8555471006 [1,0,0,0,0,0|3,0,0]=4 154 B10R0.71 CCCCCCCCN=C=S MCULE-4775323786 [1,0,0,0,0,0|3,0,0]=4 155 B10R0.71 CCCCCCCCN=N#N MCULE-4737472724 [1,0,0,0,0,0|3,0,0]=4 156 B10R0.71 CCCCCCCCNC=O MCULE-5327203150 [1,0,0,0,0,0|3,0,0]=4 157 B10R0.71 CCCCCCCCOC=O MCULE-6865253802 [1,0,0,0,0,0|3,0,0]=4 158 B10R0.71 CCCCCCCCOCC MCULE-7803614357 [1,0,0,0,0,0|2,0,0]=3 159 B10R0.71 CCCCCCCCOCCl MCULE-8103995676 [1,0,0,0,0,0|3,0,0]=4 160 B10R0.71 CCCCCCCNOCC MCULE-6718978813 [1,0,0,0,0,0|3,0,0]=4 161 B10R0.71 CCCCCCCNOCC MCULE-7446092946 [1,0,0,0,0,0|3,0,0]=4 162 B10R0.71 CCCCCCNCCCC MCULE-1698769182 [1,0,0,0,0,0|2,0,1]=4 163 B10R0.71 CCCCCNCCCCC MCULE-6460289904 [1,0,0,0,0,0|2,0,1]=4 164 B10R0.71 CCCCCNCCCCC MCULE-7466612345 [1,0,0,0,0,0|2,0,1]=4 165 B10R0.71 CCCCCNCCCOC MCULE-8182280213 [1,0,0,0,0,0|1,0,1]=3 166 B10R0.71 CCCCCOCCCCC MCULE-2510849143 [1,0,0,0,0,0|2,0,1]=4 167 B10R0.71 CCCCCSCCCCC MCULE-3839664161 [1,0,0,0,0,0|2,0,1]=4 168 B10R0.71 CCNCCCNCCOC MCULE-6052245849 [1,0,0,0,0,0|2,0,1]=4 169 B10R0.71 CNCCCNCCCOC MCULE-6241973892 [1,0,0,0,0,0|2,0,1]=4 170 B10R0.71 COCCCCCCCCO MCULE-1529283698 [1,0,0,0,0,0|1,0,1]=3 171 B10R0.71 COCCCOCCCOC MCULE-6346352498 [1,0,0,0,0,0|2,0,1]=4 172 B10R0.71 [NH2+](CCCC)CCCCCC MCULE-8926764515 [1,0,0,0,0,0|2,0,1]=4 173 B10R0.74 C#CCCCCCC(=O)OC MCULE-3816855542 [1,0,0,0,0,0|0,0,2]=3 174 B10R0.74 C=CC(=O)OCCCCCC MCULE-5221212930 [1,0,0,0,0,0|2,0,1]=4 175 B10R0.74 CC/C=C\CCOC(=O)OC MCULE-7384996356 [1,0,0,0,0,0|1,0,2]=4 176 B10R0.74 CCC=CCCOC(=O)OC MCULE-9789450516 [1,0,0,0,0,0|1,0,2]=4 177 B10R0.74 CCCCC/C=C/C(=O)OC MCULE-1812424019 [1,0,0,0,0,0|0,0,2]=3 178 B10R0.74 CCCCCC#CC(=O)OC MCULE-8436103758 [1,0,0,0,0,0|0,0,2]=3 179 B10R0.74 CCCCCC=CC(=O)OC MCULE-3787684558 [1,0,0,0,0,0|0,0,2]=3 180 B10R0.74 CCCCCCCC(=O)CC MCULE-3418685291 [1,0,0,0,0,0|1,0,0]=2 181 B10R0.74 CCCCCCCC(=O)NN MCULE-6629350924 [1,0,0,0,0,0|2,0,0]=3 182 B10R0.74 CCCCCCCC(=O)NO MCULE-2604662374 [1,0,0,0,0,0|2,0,0]=3 183 B10R0.74 CCCCCCCC(=O)N[O-] MCULE-1745709791 [1,0,0,0,0,0|2,0,0]=3 184 B10R0.74 CCCCCCCC(=O)N[O-] MCULE-4610313780 [1,0,0,0,0,0|2,0,0]=3 185 B10R0.74 CCCCCCCC(=O)OC MCULE-9368782203 [1,0,0,0,0,0|0,0,0]=1 186 B10R0.74 CCCCCCCC(N)CC MCULE-5023964032 [1,0,0,0,0,0|2,0,1]=4 187 B10R0.74 CCCCCCCC(O)CC MCULE-5420300699 [1,0,0,0,0,0|1,0,2]=4 188 B10R0.74 CCCCCCC[C@@H](C)CC MCULE-8718967535 [1,0,0,0,0,0|2,0,1]=4 189 B10R0.74 CCCCCCNC(=O)CCl MCULE-9418401258 [1,0,0,0,0,0|3,0,0]=4 190 B10R0.74 CCCCCCOC(=O)CC MCULE-7750085667 [1,0,0,0,0,0|2,0,0]=3 191 B10R0.74 CCCCCCOC(=O)CCl MCULE-7320709801 [1,0,0,0,0,0|3,0,0]=4 192 B10R0.74 CCCCCCOC(=O)CN MCULE-5357348178 [1,0,0,0,0,0|3,0,0]=4 193 B10R0.74 CCCCCCOC(=O)CS MCULE-4845823799 [1,0,0,0,0,0|3,0,0]=4 194 B10R0.74 CCCCCCOC(=O)C[NH3+] MCULE-4114261473 [1,0,0,0,0,0|3,0,0]=4 195 B10R0.74 CCOCCSCC(=O)OC MCULE-6906722616 [1,0,0,0,0,0|2,0,0]=3 196 B10R0.74 CNC(=O)CCNCCCO MCULE-4109393411 [1,0,0,0,0,0|3,0,0]=4 197 B10R0.74 CNC(=O)CCNCCOC MCULE-5894840794 [1,0,0,0,0,0|3,0,0]=4 198 B10R0.74 COC(=O)CCCCCC=O MCULE-1071696685 [1,0,0,0,0,0|1,0,1]=3 199 B10R0.74 COC(=O)CCCCCCBr MCULE-5801566678 [1,0,0,0,0,0|1,0,0]=2 200 B10R0.74 COC(=O)CCCCCCI MCULE-5629338002 [1,0,0,0,0,0|1,0,0]=2 201 B10R0.74 COC(=O)CCCCCCN MCULE-3174162228 [1,0,0,0,0,0|1,0,0]=2 202 B10R0.74 COC(=O)CCCCCCN MCULE-7552954472 [1,0,0,0,0,0|1,0,0]=2 203 B10R0.74 COC(=O)CCCCCCO MCULE-1234987175 [1,0,0,0,0,0|1,0,0]=2 204 B10R0.74 COC(=O)CCCCN=N#N MCULE-6501695945 [1,0,0,0,0,0|3,0,0]=4 205 B10R0.74 COC(=O)CCNCCCO MCULE-4138256366 [1,0,0,0,0,0|2,0,0]=3 206 B10R0.74 COC(=O)CCOCCCO MCULE-5017264772 [1,0,0,0,0,0|2,0,0]=3 207 B10R0.74 COCCNCCC(=O)OC MCULE-2355570615 [1,0,0,0,0,0|2,0,0]=3 208 B10R0.74 COCCOCCC(=O)OC MCULE-5131212223 [1,0,0,0,0,0|2,0,0]=3 209 B10R0.74 NNC(=O)CCCCCCCl MCULE-4836054847 [1,0,0,0,0,0|3,0,0]=4 210 B12R0.1 C=CCCCCCCC(=O)OCC MCULE-2529046007 [0,1,0,0,0,0|0,0,2]=3 211 B12R0.1 CCCCCC=CCC(=O)OCC MCULE-2452505052 [0,1,0,0,0,0|0,0,2]=3 212 B12R0.1 CCCCCCC#CC(=O)OCC MCULE-9938881189 [0,1,0,0,0,0|0,0,2]=3 213 B12R0.1 CCCCCCC=CC(=O)OCC MCULE-4260025223 [0,1,0,0,0,0|0,0,2]=3 214 B12R0.1 CCCCCCCCC(=O)NCO MCULE-9330858839 [0,1,0,0,0,0|1,0,0]=2 215 B12R0.1 CCCCCCCCC(=O)OCC MCULE-5309868306 [0,1,0,0,0,0|0,0,0]=1 216 B12R0.1 CCCCCCCCC(=O)OCCl MCULE-7482672748 [0,1,0,0,0,0|0,0,0]=1 217 B12R0.1 CCCCCCCCC(C)CCC MCULE-8337776414 [0,1,0,0,0,0|2,0,1]=4 218 B12R0.1 CCCCCCCCC(O)CCC MCULE-4193341089 [0,1,0,0,0,0|1,0,2]=4 219 B12R0.1 CCCCCCCCS(=O)CCCl MCULE-5342861128 [0,1,0,0,0,0|2,0,0]=3 220 B12R0.1 CCCCCCCCS(=O)CCO MCULE-7963242650 [0,1,0,0,0,0|2,0,0]=3 221 B12R0.1 CCCCCCCNC(=O)CC#N MCULE-2223444329 [0,1,0,0,0,0|2,0,1]=4 222 B12R0.1 CCCCCCCOC(=O)CCC MCULE-5390225657 [0,1,0,0,0,0|2,0,0]=3 223 B12R0.1 CCCCCNCCC(=O)OCC MCULE-6006388312 [0,1,0,0,0,0|1,0,0]=2 224 B12R0.1 CCCCOCCOC(=O)CCC MCULE-5623408620 [0,1,0,0,0,0|3,0,0]=4 225 B12R0.1 CCNC(=O)CCNCCCOC MCULE-4505097554 [0,1,0,0,0,0|3,0,0]=4 226 B12R0.1 CCOC(=O)CCCCCCCBr MCULE-8678920768 [0,1,0,0,0,0|1,0,0]=2 227 B12R0.1 CCOC(=O)CCCCCCCCl MCULE-8377860069 [0,1,0,0,0,0|1,0,0]=2 228 B12R0.1 CCOC(=O)CCCCCCCI MCULE-5677306490 [0,1,0,0,0,0|1,0,0]=2 229 B12R0.1 CCOC(=O)CCCCCCCN MCULE-2162819446 [0,1,0,0,0,0|1,0,0]=2 230 B12R0.1 CCOC(=O)CCCCCCCN MCULE-4046698936 [0,1,0,0,0,0|1,0,0]=2 231 B12R0.1 CCOC(=O)CCCCCCCO MCULE-3311157136 [0,1,0,0,0,0|1,0,0]=2 232 B12R0.1 CCOC(=O)CCCCCN=C=O MCULE-6504190833 [0,1,0,0,0,0|2,0,1]=4 233 B12R0.1 CCOC(=O)CCCCCN=N#N MCULE-6831574976 [0,1,0,0,0,0|3,0,0]=4 234 B12R0.1 CCOC(=O)CCNCCCOC MCULE-1490737085 [0,1,0,0,0,0|2,0,0]=3 235 B12R0.1 CCOCCNCCC(=O)OCC MCULE-8716932397 [0,1,0,0,0,0|2,0,0]=3 236 B12R0.49 CCCCCCC=C(C)C(=O)OC MCULE-9746455818 [0,1,0,0,0,0|0,0,2]=3 237 B12R0.49 CCCCCCCC(=O)N(C)OC MCULE-3329432513 [0,1,0,0,0,0|2,0,1]=4 238 B12R0.49 CCCCCNCC(C)C(=O)OC MCULE-7883564580 [0,1,0,0,0,0|1,0,0]=2 239 B12R0.49 CCOCCNCC(C)C(=O)OC MCULE-7787221059 [0,1,0,0,0,0|2,0,0]=3 240 B12R0.49 COCCCNCC(C)C(=O)OC MCULE-4671999012 [0,1,0,0,0,0|2,0,0]=3 241 B12R0.57 CCCCCCCCC(CC)CO MCULE-4207731459 [0,1,0,0,0,0|1,0,2]=4 242 B12R0.57 CCCCCCCCC(OC)OC MCULE-1801269369 [0,1,0,0,0,0|0,0,2]=3 243 B12R0.102 C=CC(=O)OCCC(C)CCCC MCULE-4430853878 [0,1,0,0,0,0|2,0,1]=4 244 B12R0.102 C=CC(=O)OCCC(C)CCCC MCULE-9499965302 [0,1,0,0,0,0|2,0,1]=4 245 B12R0.113 C=CC(=O)OC(C)CCCCCC MCULE-1718387963 [0,1,0,0,0,0|2,0,1]=4 246 B12R0.113 CCCCCCC(C)NC(=O)CCl MCULE-4835194894 [0,1,0,0,0,0|3,0,0]=4 247 B12R0.113 CCCCCCC(C)OC(=O)CCl MCULE-3342954243 [0,1,0,0,0,0|3,0,0]=4 248 B12R0.113 CCCCCCC(O)CC(=O)OC MCULE-8995113646 [0,1,0,0,0,0|0,0,0]=1 249 B12R0.113 CCCCCNC(C)CC(=O)OC MCULE-2558037544 [0,1,0,0,0,0|1,0,0]=2 250 B12R0.113 CCOCCNC(C)CC(=O)OC MCULE-3461223376 [0,1,0,0,0,0|2,0,0]=3 251 B12R0.113 COCCCNC(C)CC(=O)OC MCULE-1923960851 [0,1,0,0,0,0|2,0,0]=3 252 B12R0.142 CCCCCC(O)CCC(=O)NC MCULE-6293429988 [0,1,0,0,0,0|1,0,0]=2 253 B12R0.142 CCCCCC(O)CCC(=O)NN MCULE-5752578751 [0,1,0,0,0,0|2,0,0]=3 254 B12R0.142 CCCCCN(C)CCC(=O)OC MCULE-2291452390 [0,1,0,0,0,0|1,0,0]=2 255 B12R0.142 CCCOCC(O)CCC(=O)NN MCULE-8615765536 [0,1,0,0,0,0|3,0,0]=4 256 B12R0.183 COC(=N)CCCCCC(=N)OC MCULE-5911881121 [0,1,0,0,0,0|2,0,1]=4 257 B12R0.183 COC(=N)CCCCCC(=N)OC MCULE-8619047991 [0,1,0,0,0,0|2,0,1]=4 258 B12R0.183 COC(=O)CCCCCC(=O)OC MCULE-4367657579 [0,1,0,0,0,0|1,0,1]=3 259 B12R0.183 COC(=O)CCNCCC(=O)OC MCULE-8864984762 [0,1,0,0,0,0|2,0,1]=4 260 B12R0.183 COC(=O)CCNCCC(=O)OC MCULE-9314655557 [0,1,0,0,0,0|2,0,1]=4 261 B12R0.183 COC(=O)CCSCCC(=O)OC MCULE-8773115535 [0,1,0,0,0,0|2,0,1]=4 262 B12R0.184 C=CC(=O)OCCCCCC(C)C MCULE-8483303249 [0,1,0,0,0,0|2,0,1]=4 263 B12R0.184 CC(C)CCCCCOC(=O)CS MCULE-1124478219 [0,1,0,0,0,0|3,0,0]=4 264 B12R0.184 CCC(=O)CCCCCCC(=O)O MCULE-4717498477 [0,1,0,0,0,0|2,0,1]=4 265 B12R0.184 COC(=O)CCCCCCC(=O)Cl MCULE-8021290059 [0,1,0,0,0,0|1,0,1]=3 266 B12R0.184 COC(=O)CCCCCCC(=O)O MCULE-9793115364 [0,1,0,0,0,0|1,0,1]=3 267 B12R0.184 COC(=O)CCCCCCC(C)C MCULE-3897074156 [0,1,0,0,0,0|0,0,0]=1 268 B12R0.184 COC(=O)CCCCCNC(=S)N MCULE-7713909467 [0,1,0,0,0,0|2,0,1]=4 269 B12R0.184 COC(=O)CCCCCOC(=O)C MCULE-6683368772 [0,1,0,0,0,0|1,0,1]=3 270 B12R0.184 COC(=O)CCNCCCN(C)C MCULE-1963378628 [0,1,0,0,0,0|2,0,0]=3 271 B12R0.248 C=CC(=O)NCCCCCCCC MCULE-9686941876 [0,1,0,0,0,0|1,0,1]=3 272 B12R0.248 C=CC(=O)OCCCCCCCC MCULE-8708207271 [0,1,0,0,0,0|1,0,1]=3 273 B12R0.248 C=CCCCCCCCC(=O)OC MCULE-1843303649 [0,1,0,0,0,0|0,0,1]=2 274 B12R0.248 CCCCCCCCC/C(=N\O)/N MCULE-5582103663 [0,1,0,0,0,0|3,0,0]=4 275 B12R0.248 CCCCCCCCCC(=O)CC MCULE-8070056231 [0,1,0,0,0,0|1,0,0]=2 276 B12R0.248 CCCCCCCCCC(=O)NC MCULE-5903490737 [0,1,0,0,0,0|1,0,0]=2 277 B12R0.248 CCCCCCCCCC(=O)NN MCULE-5225093755 [0,1,0,0,0,0|2,0,0]=3 278 B12R0.248 CCCCCCCCCC(=O)NO MCULE-3922115888 [0,1,0,0,0,0|2,0,0]=3 279 B12R0.248 CCCCCCCCCC(=O)OC MCULE-3080392178 [0,1,0,0,0,0|0,0,0]=1 280 B12R0.248 CCCCCCCCCC(O)CC MCULE-8088841540 [0,1,0,0,0,0|1,0,2]=4 281 B12R0.248 CCCCCCCCNC(=O)CCl MCULE-4427362960 [0,1,0,0,0,0|2,0,0]=3 282 B12R0.248 CCCCCCCCNC(=S)NN MCULE-7622055380 [0,1,0,0,0,0|2,1,0]=4 283 B12R0.248 CCCCCCCCOC(=O)CBr MCULE-6221987137 [0,1,0,0,0,0|2,0,0]=3 284 B12R0.248 CCCCCCCCOC(=O)CC MCULE-3871560069 [0,1,0,0,0,0|1,0,0]=2 285 B12R0.248 CCCCCCCCOC(=O)CCl MCULE-4822709810 [0,1,0,0,0,0|2,0,0]=3 286 B12R0.248 CCCCCCCCOC(=O)CN MCULE-1232197423 [0,1,0,0,0,0|2,0,0]=3 287 B12R0.248 CCCCCCCCOC(=O)CN MCULE-3856902884 [0,1,0,0,0,0|2,0,0]=3 288 B12R0.248 CCCCCCCCOC(=O)CS MCULE-8976044992 [0,1,0,0,0,0|2,0,0]=3 289 B12R0.248 CCCCCCCSCC(=O)OC MCULE-8419218207 [0,1,0,0,0,0|0,0,0]=1 290 B12R0.248 CNCCCCCCCC(=O)OC MCULE-2073535841 [0,1,0,0,0,0|0,0,0]=1 291 B12R0.248 COC(=O)CCCCCCCC=O MCULE-8962678443 [0,1,0,0,0,0|0,0,1]=2 292 B12R0.248 COC(=O)CCCCCCCCBr MCULE-8360143365 [0,1,0,0,0,0|0,0,0]=1 293 B12R0.248 COC(=O)CCCCCCCCO MCULE-5867988584 [0,1,0,0,0,0|0,0,0]=1 294 B12R0.248 COC(=O)CCCCCCN=N#N MCULE-3237572469 [0,1,0,0,0,0|2,0,0]=3 295 B12R0.248 COC(=O)CCOCCOCCO MCULE-8679120721 [0,1,0,0,0,0|2,0,0]=3 296 B12R0.251 C=C(C)C(=O)NCCCCCCO MCULE-7834644420 [0,1,0,0,0,0|3,0,0]=4 297 B12R0.251 C=C(C)C(=O)OCCCCCCBr MCULE-9043175752 [0,1,0,0,0,0|3,0,0]=4 298 B12R0.251 C=C(C)C(=O)OCCCCCCCl MCULE-7606380391 [0,1,0,0,0,0|3,0,0]=4 299 B12R0.251 CCCCCCCCC(=C(F)F)F MCULE-6308736081 [0,1,0,0,0,0|3,0,0]=4 300 B12R0.276 CCOC(=O)CCCCC(=O)CC MCULE-9237019902 [0,1,0,0,0,0|2,0,1]=4 301 B12R0.276 CCOC(=O)CCCCC(=O)OC MCULE-2483929710 [0,1,0,0,0,0|1,0,1]=3 302 B12R0.276 CCOC(=O)CCSCC(=O)OC MCULE-1442449441 [0,1,0,0,0,0|2,0,1]=4 303 B12R0.312 C=CS(=O)(=O)CCCCCCCC MCULE-1033727057 [0,1,0,0,0,0|2,0,1]=4 304 B12R0.312 CCCCCCCCS(=O)(=O)CCl MCULE-5423643010 [0,1,0,0,0,0|3,0,0]=4 305 B12R0.312 CCCCCCCCS(=O)(=O)NN MCULE-9926914582 [0,1,0,0,0,0|3,0,0]=4 306 B12R0.312 CCCCCCCC[Si](C)(C)OC MCULE-8570982657 [0,1,0,0,0,0|1,1,0]=3 307 B12R1.1 CCCCCC1CC=C(CC1)Br MCULE-9220672225 [0,0,0,1,0,0|2,0,0]=3 308 B12R1.1 CCCCCC1CCC(=O)CC1 MCULE-1865638063 [0,0,0,1,0,0|1,0,0]=2 309 B12R1.1 CCCCCC1CCC(CC1)N MCULE-1026493155 [0,0,0,1,0,0|2,0,1]=4 310 B12R1.1 CCCCCC1CCC(CC1)O MCULE-3435416328 [0,0,0,1,0,0|1,0,2]=4 311 B12R1.1 CCCCC[C@H]1CC[C@@H](CC1)O MCULE-2942273227 [0,0,0,1,0,0|1,0,2]=4 312 B12R1.1 COCCCN1CCC(=O)CC1 MCULE-9013265451 [0,0,0,1,0,0|3,0,0]=4 313 B12R1.7 CCCCCCC1CCC(=O)O1 MCULE-8274362783 [0,0,0,1,0,0|2,0,0]=3 314 B12R1.7 CCCCOCC1CNC(=O)O1 MCULE-6966705652 [0,0,0,1,0,0|3,0,0]=4 315 B12R1.27 C=CC(=O)NCC1CCCCC1 MCULE-7329688046 [0,0,0,1,0,0|2,0,1]=4 316 B12R1.27 CCC(=O)NCC1CCCNC1 MCULE-5633343157 [0,0,0,1,0,0|3,0,0]=4 317 B12R1.27 CCC(=O)NCC1CCCNC1 MCULE-6467786994 [0,0,0,1,0,0|3,0,0]=4 318 B12R1.27 CCC(=O)NCC1CCNCC1 MCULE-3780855037 [0,0,0,1,0,0|3,0,0]=4 319 B12R1.27 CCC(=O)OCC1CCCNC1 MCULE-2489657295 [0,0,0,1,0,0|3,0,0]=4 320 B12R1.27 CCC(=O)OCC1CCCNC1 MCULE-8408389472 [0,0,0,1,0,0|3,0,0]=4 321 B12R1.27 CCC(=O)OCC1CCNCC1 MCULE-5222904628 [0,0,0,1,0,0|3,0,0]=4 322 B12R1.27 CCC(=O)OCC1CCNCC1 MCULE-5616950169 [0,0,0,1,0,0|3,0,0]=4 323 B12R1.27 CNC(=O)CCC1CCCCC1 MCULE-4673526571 [0,0,0,1,0,0|1,0,0]=2 324 B12R1.27 CNC(=O)CCC1CCCCN1 MCULE-1058691471 [0,0,0,1,0,0|2,0,0]=3 325 B12R1.27 CNC(=O)CCC1CCCCN1 MCULE-6199763890 [0,0,0,1,0,0|2,0,0]=3 326 B12R1.27 CNC(=O)CCC1CCCNC1 MCULE-4365216369 [0,0,0,1,0,0|2,0,0]=3 327 B12R1.27 CNC(=O)CCC1CCCNC1 MCULE-4665588497 [0,0,0,1,0,0|2,0,0]=3 328 B12R1.27 CNC(=O)CCC1CCNCC1 MCULE-5487007846 [0,0,0,1,0,0|2,0,0]=3 329 B12R1.27 CNC(=O)CCN1CCOCC1 MCULE-4174589609 [0,0,0,1,0,0|3,0,0]=4 330 B12R1.27 CNC(=O)COC1CCCNC1 MCULE-2715424748 [0,0,0,1,0,0|3,0,0]=4 331 B12R1.27 CNC(=O)COC1CCNCC1 MCULE-2600111396 [0,0,0,1,0,0|3,0,0]=4 332 B12R1.27 CNC(=O)NCC1CCCCN1 MCULE-3730836172 [0,0,0,1,0,0|3,0,0]=4 333 B12R1.27 CNC(=O)NCC1CCCCN1 MCULE-8425442544 [0,0,0,1,0,0|3,0,0]=4 334 B12R1.27 CNC(=O)NCC1CCCNC1 MCULE-7979434109 [0,0,0,1,0,0|3,0,0]=4 335 B12R1.27 CNC(=O)NCC1CCCNC1 MCULE-9415363799 [0,0,0,1,0,0|3,0,0]=4 336 B12R1.27 CNC(=O)NCC1CCNCC1 MCULE-2623635808 [0,0,0,1,0,0|3,0,0]=4 337 B12R1.27 CNC(=O)NCC1CCNCC1 MCULE-5910373356 [0,0,0,1,0,0|3,0,0]=4 338 B12R1.27 CNC(=O)OCC1CCCCN1 MCULE-8493898337 [0,0,0,1,0,0|3,0,0]=4 339 B12R1.27 CNC(=O)OCC1CCCCN1 MCULE-9322640567 [0,0,0,1,0,0|3,0,0]=4 340 B12R1.27 CNC(=S)NCC1CCCCC1 MCULE-5209352714 [0,0,0,1,0,0|2,1,0]=4 341 B12R1.27 COC(=O)CCC1CCCCC1 MCULE-4982130149 [0,0,0,1,0,0|0,0,0]=1 342 B12R1.27 COC(=O)CCC1CCCCN1 MCULE-5430155727 [0,0,0,1,0,0|1,0,0]=2 343 B12R1.27 COC(=O)CCC1CCCCN1 MCULE-8425873185 [0,0,0,1,0,0|1,0,0]=2 344 B12R1.27 COC(=O)CCC1CCCNC1 MCULE-3207892462 [0,0,0,1,0,0|1,0,0]=2 345 B12R1.27 COC(=O)CCC1CCCNC1 MCULE-4998474197 [0,0,0,1,0,0|1,0,0]=2 346 B12R1.27 COC(=O)CCC1CCNCC1 MCULE-4070291371 [0,0,0,1,0,0|1,0,0]=2 347 B12R1.27 COC(=O)CCC1CCNCC1 MCULE-9899833979 [0,0,0,1,0,0|1,0,0]=2 348 B12R1.27 COC(=O)CCC1CNCCN1 MCULE-3646955067 [0,0,0,1,0,0|2,0,0]=3 349 B12R1.27 COC(=O)CCC1CNCCN1 MCULE-7815242180 [0,0,0,1,0,0|2,0,0]=3 350 B12R1.27 COC(=O)CCC1COCCN1 MCULE-2668736062 [0,0,0,1,0,0|2,0,0]=3 351 B12R1.27 COC(=O)CCC1COCCN1 MCULE-3833814360 [0,0,0,1,0,0|2,0,0]=3 352 B12R1.27 COC(=O)CCN1CCCCC1 MCULE-8363403616 [0,0,0,1,0,0|1,0,0]=2 353 B12R1.27 COC(=O)CCN1CCCCC1 MCULE-9158799668 [0,0,0,1,0,0|1,0,0]=2 354 B12R1.27 COC(=O)CCN1CCNCC1 MCULE-7011490046 [0,0,0,1,0,0|2,0,0]=3 355 B12R1.27 COC(=O)CCN1CCNCC1 MCULE-9475157340 [0,0,0,1,0,0|2,0,0]=3 356 B12R1.27 COC(=O)CCN1CCOCC1 MCULE-1223322617 [0,0,0,1,0,0|2,0,0]=3 357 B12R1.27 COC(=O)CCN1CCSCC1 MCULE-4456368053 [0,0,0,1,0,0|2,0,0]=3 358 B12R1.27 COC(=O)CNC1CCCCC1 MCULE-3628546494 [0,0,0,1,0,0|1,0,0]=2 359 B12R1.27 COC(=O)CNC1CCCCC1 MCULE-8461156941 [0,0,0,1,0,0|1,0,0]=2 360 B12R1.27 COC(=O)CNC1CCOCC1 MCULE-2414362668 [0,0,0,1,0,0|2,0,0]=3 361 B12R1.27 COC(=O)CNC1CCOCC1 MCULE-9240609938 [0,0,0,1,0,0|2,0,0]=3 362 B12R1.27 COC(=O)COC1CCCCC1 MCULE-2770584925 [0,0,0,1,0,0|1,0,0]=2 363 B12R1.27 COC(=O)COC1CCCCO1 MCULE-9132561989 [0,0,0,1,0,0|2,0,0]=3 364 B12R1.27 COC(=O)COC1CCNCC1 MCULE-1515730437 [0,0,0,1,0,0|2,0,0]=3 365 B12R1.27 COC(=O)COC1CCNCC1 MCULE-4644132320 [0,0,0,1,0,0|2,0,0]=3 366 B12R1.27 COC(=O)CSC1CCCCC1 MCULE-3029014522 [0,0,0,1,0,0|1,0,0]=2 367 B12R1.27 NNC(=O)CCC1CCCCC1 MCULE-5265552441 [0,0,0,1,0,0|2,0,0]=3 368 B12R1.27 NNC(=O)CCC1CCCOC1 MCULE-8516252594 [0,0,0,1,0,0|3,0,0]=4 369 B12R1.27 NNC(=O)CCN1CCCCC1 MCULE-1695375615 [0,0,0,1,0,0|3,0,0]=4 370 B12R1.27 NNC(=O)CNC1CCCCC1 MCULE-1213092866 [0,0,0,1,0,0|3,0,0]=4 371 B12R1.27 O=C(CBr)CCC1CCCCO1 MCULE-5556789952 [0,0,0,1,0,0|3,0,0]=4 372 B12R1.27 O=C(CBr)NCC1CCCCC1 MCULE-2764680318 [0,0,0,1,0,0|3,0,0]=4 373 B12R1.27 O=C(CCC1CCCCC1)NO MCULE-7475709240 [0,0,0,1,0,0|2,0,0]=3 374 B12R1.27 O=C(CCl)NCC1CCCCC1 MCULE-9819057027 [0,0,0,1,0,0|3,0,0]=4 375 B12R1.27 O=C(CO)NCC1CCCCC1 MCULE-7174776825 [0,0,0,1,0,0|3,0,0]=4 376 B12R1.77 CCC1CCCCN1C(=O)CCl MCULE-4069585041 [0,0,0,1,0,0|3,0,0]=4 377 B12R1.77 CCC1CCCCN1C(=O)CN MCULE-1194274038 [0,0,0,1,0,0|3,0,0]=4 378 B12R1.77 CCC1CCCCN1C(=O)CN MCULE-9480609009 [0,0,0,1,0,0|3,0,0]=4 379 B12R1.77 CCC1CCCCN1C(=S)NC MCULE-9626776080 [0,0,0,1,0,0|2,1,0]=4 380 B12R1.77 CCN1CCOCC1C(=O)NC MCULE-6195715042 [0,0,0,1,0,0|3,0,0]=4 381 B12R1.77 CCN1CCOCC1C(=O)OC MCULE-6939340199 [0,0,0,1,0,0|2,0,0]=3 382 B12R1.77 COC(=O)C1CCCCC1CCl MCULE-1382388531 [0,0,0,1,0,0|1,0,0]=2 383 B12R1.77 COC(=O)C1CCCCC1CN MCULE-6303964876 [0,0,0,1,0,0|1,0,0]=2 384 B12R1.77 COC(=O)C1CCCCC1CN MCULE-9790305648 [0,0,0,1,0,0|1,0,0]=2 385 B12R1.77 COC(=O)C1CCCCC1CO MCULE-9026826219 [0,0,0,1,0,0|1,0,0]=2 386 B12R1.77 COC(=O)N1CCOCC1OC MCULE-6684182394 [0,0,0,1,0,0|3,0,0]=4 387 B12R1.77 COC(=O)[C@@H]1CCCC[C@H]1CO MCULE-9762653277 [0,0,0,1,0,0|1,0,0]=2 388 B12R1.77 COC(=O)[C@H]1CCCC[C@@H]1CO MCULE-9302510534 [0,0,0,1,0,0|1,0,0]=2 389 B12R1.215 O=C1CCNCCCCCCN1 MCULE-1263100451 [0,0,0,1,0,0|2,0,0]=3 390 B12R1.215 O=C1CCNCCCOCCN1 MCULE-2789680382 [0,0,0,1,0,0|3,0,0]=4 391 B12R1.291 C#CCN1CCC[C@H]1C(=O)OC MCULE-1983848220 [0,0,0,1,0,0|1,0,2]=4 392 B12R1.291 COC(=O)C1CCCN1CC#N MCULE-4276665971 [0,0,0,1,0,0|2,0,1]=4 393 B12R1.353 COC(=O)CCN1CCCC1=O MCULE-6100195819 [0,0,0,1,0,0|2,0,1]=4 394 B12R1.365 COC(=O)C1CCCCCC1=O MCULE-3603977230 [0,0,0,1,0,0|1,0,1]=3 395 B12R1.365 COC(=O)C1CCCCCC1N MCULE-2985536871 [0,0,0,1,0,0|1,0,0]=2 396 B12R1.365 COC(=O)C1CCCCCC1N MCULE-7391362167 [0,0,0,1,0,0|1,0,0]=2 397 B12R1.365 COC(=O)C1CCNCCC1=O MCULE-1802920798 [0,0,0,1,0,0|2,0,1]=4 398 B12R1.365 COC(=O)C1CCNCCC1=O MCULE-4200559524 [0,0,0,1,0,0|2,0,1]=4 399 B12R1.365 COC(=O)C1CNCCCN1C MCULE-8944326904 [0,0,0,1,0,0|2,0,0]=3 400 B12R1.365 COC(=O)C1CNCCCN1C MCULE-9025092370 [0,0,0,1,0,0|2,0,0]=3 401 B12R1.371 CC1CCCCC1CC(=O)NN MCULE-2112501539 [0,0,0,1,0,0|2,0,0]=3 402 B12R1.371 CC1CCCCC1NC(=O)CCl MCULE-8520758651 [0,0,0,1,0,0|3,0,0]=4 403 B12R1.371 CC1CCCCN1CC(=O)NN MCULE-5982584996 [0,0,0,1,0,0|3,0,0]=4 404 B12R1.371 CCC(=O)NC1CCCCC1Cl MCULE-9272014032 [0,0,0,1,0,0|3,0,0]=4 405 B12R1.371 COC(=O)CC1CCCCC1=O MCULE-2536809252 [0,0,0,1,0,0|1,0,1]=3 406 B12R1.371 COC(=O)CC1CCCNC1=O MCULE-7799009444 [0,0,0,1,0,0|2,0,1]=4 407 B12R1.371 COC(=O)CC1CCCNC1C MCULE-5727809126 [0,0,0,1,0,0|1,0,0]=2 408 B12R1.371 COC(=O)CC1CNCCC1C MCULE-4797744674 [0,0,0,1,0,0|1,0,0]=2 409 B12R1.371 COC(=O)CC1CNCCC1C MCULE-6244671024 [0,0,0,1,0,0|1,0,0]=2 410 B12R1.371 COC(=O)CN1CCCCC1=O MCULE-2869509767 [0,0,0,1,0,0|2,0,1]=4 411 B12R1.371 COC(=O)C[C@H]1CCCNC1=O MCULE-6276859232 [0,0,0,1,0,0|2,0,1]=4 412 B12R1.371 COC(=O)N[C@@H]1CNCC[C@@H]1C MCULE-3868741323 [0,0,0,1,0,0|2,0,0]=3 413 B12R1.371 COC(=O)N[C@@H]1CNCC[C@@H]1C MCULE-4196602758 [0,0,0,1,0,0|2,0,0]=3 414 B12R1.371 CSC(=O)NC1CCCCC1Cl MCULE-6269265977 [0,0,0,1,0,0|2,1,0]=4 415 B12R1.396 COC(=O)CCC[C@@H]1O[C@H]1CO MCULE-9567091665 [0,0,0,1,0,0|2,0,0]=3 416 B12R1.410 CNC1CCCCCCCCC1 MCULE-9906028937 [0,0,0,1,0,0|2,0,1]=4 417 B12R1.477 CNC(=O)NCCN1CCCC1 MCULE-6877564277 [0,0,0,1,0,0|3,0,0]=4 418 B12R1.477 COC(=O)CCNC1CCCC1 MCULE-8194716372 [0,0,0,1,0,0|1,0,0]=2 419 B12R1.477 COC(=O)CCOC1CCNC1 MCULE-7299406956 [0,0,0,1,0,0|2,0,0]=3 420 B12R1.477 COC(=O)CCOC1CCNC1 MCULE-8084056923 [0,0,0,1,0,0|2,0,0]=3 421 B12R1.1659 C=CC(=O)N1CCCCCCC1 MCULE-4957524755 [0,0,0,1,0,0|2,0,1]=4 422 B12R1.1659 COC(=O)C1CCCCCCC1 MCULE-8407585180 [0,0,0,1,0,0|0,0,0]=1 423 B12R1.1659 O=C(CCl)N1CCCCCCC1 MCULE-9778356861 [0,0,0,1,0,0|3,0,0]=4 424 B12R1.1748 CNC(=O)CN1CCCNCC1 MCULE-1699654021 [0,0,0,1,0,0|3,0,0]=4 425 B12R1.1748 CNC(=O)CN1CCCNCC1 MCULE-6681117978 [0,0,0,1,0,0|3,0,0]=4 426 B12R1.1748 CNC(=S)NC1CCCCCC1 MCULE-6520346200 [0,0,0,1,0,0|2,1,0]=4 427 B12R1.1748 COC(=O)C=C1CCCCCC1 MCULE-2954267118 [0,0,0,1,0,0|0,0,2]=3 428 B12R1.1748 COC(=O)C=C1CCCCCN1 MCULE-7640918520 [0,0,0,1,0,0|1,0,2]=4 429 B12R1.1748 COC(=O)CC1CCCCCC1 MCULE-5471448909 [0,0,0,1,0,0|0,0,0]=1 430 B12R1.1748 COC(=O)CC1CCCNCC1 MCULE-8246652599 [0,0,0,1,0,0|1,0,0]=2 431 B12R1.1748 COC(=O)CC1CCCNCC1 MCULE-8769597228 [0,0,0,1,0,0|1,0,0]=2 432 B12R1.1748 COC(=O)CN1CCCNCC1 MCULE-2302704687 [0,0,0,1,0,0|2,0,0]=3 433 B12R1.1748 COC(=O)CN1CCCNCC1 MCULE-2502781833 [0,0,0,1,0,0|2,0,0]=3 434 B12R1.1748 NNC(=O)CN1CCCCCC1 MCULE-4753957009 [0,0,0,1,0,0|3,0,0]=4 435 B12R1.1748 O=C(CCl)NC1CCCCCC1 MCULE-9132892908 [0,0,0,1,0,0|3,0,0]=4 436 B9R0.2 C#CCCCCCC(=O)O MCULE-4594227399 [2,0,0,0,0,0|0,0,2]=4 437 B9R0.2 C=C(Br)CCCCCCC MCULE-7091252982 [2,0,0,0,0,0|1,0,1]=4 438 B9R0.2 C=C(C)CCCCCCC MCULE-6074571960 [2,0,0,0,0,0|1,0,0]=3 439 B9R0.2 C=C(C)CCCCCCCl MCULE-8555589200 [2,0,0,0,0,0|2,0,0]=4 440 B9R0.2 C=C(Cl)CCCCCCC MCULE-4513303196 [2,0,0,0,0,0|1,0,1]=4 441 B9R0.2 C=CCCCCCC(=O)C MCULE-7133840219 [2,0,0,0,0,0|0,0,2]=4 442 B9R0.2 C=CCCCCCC(=O)O MCULE-6571932731 [2,0,0,0,0,0|0,0,2]=4 443 B9R0.2 CC(=O)CCCCCCN MCULE-5842243037 [2,0,0,0,0,0|1,0,0]=3 444 B9R0.2 CC(=O)CCCCCCN MCULE-6017408205 [2,0,0,0,0,0|1,0,0]=3 445 B9R0.2 CC(=O)NCCCCCCl MCULE-9253955715 [2,0,0,0,0,0|2,0,0]=4 446 B9R0.2 CC(=O)NCCCCCN MCULE-6340089295 [2,0,0,0,0,0|2,0,0]=4 447 B9R0.2 CC(=O)NCCCCCN MCULE-9533682248 [2,0,0,0,0,0|2,0,0]=4 448 B9R0.2 CC(=O)OCCCCCBr MCULE-2710815321 [2,0,0,0,0,0|2,0,0]=4 449 B9R0.2 CC(=O)OCCCCCCl MCULE-4259346820 [2,0,0,0,0,0|2,0,0]=4 450 B9R0.2 CC(=O)SCCCCCBr MCULE-3706830993 [2,0,0,0,0,0|2,0,0]=4 451 B9R0.2 CCCC/C=C/CC(=O)O MCULE-3008379579 [2,0,0,0,0,0|0,0,2]=4 452 B9R0.2 CCCC=CCCC(=O)O MCULE-8091554117 [2,0,0,0,0,0|0,0,2]=4 453 B9R0.2 CCCCC#CCC(=O)O MCULE-2685341100 [2,0,0,0,0,0|0,0,2]=4 454 B9R0.2 CCCCC/C=C/C(=O)C MCULE-4810438787 [2,0,0,0,0,0|0,0,2]=4 455 B9R0.2 CCCCC/C=C/C(=O)O MCULE-5661205729 [2,0,0,0,0,0|0,0,2]=4 456 B9R0.2 CCCCC=CCC(=O)O MCULE-1531958630 [2,0,0,0,0,0|0,0,2]=4 457 B9R0.2 CCCCCC#CC(=O)O MCULE-1860076106 [2,0,0,0,0,0|0,0,2]=4 458 B9R0.2 CCCCCC=CC(=O)C MCULE-2447853309 [2,0,0,0,0,0|0,0,2]=4 459 B9R0.2 CCCCCC=CC(=O)O MCULE-6969617806 [2,0,0,0,0,0|0,0,2]=4 460 B9R0.2 CCCCCCCB(O)O MCULE-2487835239 [2,0,0,0,0,0|1,0,1]=4 461 B9R0.2 CCCCCCCC(=N)N MCULE-8703701987 [2,0,0,0,0,0|2,0,0]=4 462 B9R0.2 CCCCCCCC(=O)C MCULE-9635928766 [2,0,0,0,0,0|0,0,0]=2 463 B9R0.2 CCCCCCCC(=O)Cl MCULE-9979489292 [2,0,0,0,0,0|1,0,0]=3 464 B9R0.2 CCCCCCCC(=O)N MCULE-8774193381 [2,0,0,0,0,0|1,0,0]=3 465 B9R0.2 CCCCCCCC(=O)O MCULE-5193957469 [2,0,0,0,0,0|0,0,0]=2 466 B9R0.2 CCCCCCCC(=O)[O-] MCULE-3608650495 [2,0,0,0,0,0|0,0,1]=3 467 B9R0.2 CCCCCCCC(=O)[O-] MCULE-8227046407 [2,0,0,0,0,0|0,0,1]=3 468 B9R0.2 CCCCCCCC(C)Br MCULE-1086603851 [2,0,0,0,0,0|1,0,1]=4 469 B9R0.2 CCCCCCCC(C)C MCULE-6606361985 [2,0,0,0,0,0|1,0,1]=4 470 B9R0.2 CCCCCCCC(C)N MCULE-7510062756 [2,0,0,0,0,0|1,0,1]=4 471 B9R0.2 CCCCCCCC(C)O MCULE-5218382339 [2,0,0,0,0,0|0,0,2]=4 472 B9R0.2 CCCCCCCN(=O)=O MCULE-3345030651 [2,0,0,0,0,0|1,0,1]=4 473 B9R0.2 CCCCCCCN(C)C MCULE-8135887454 [2,0,0,0,0,0|2,0,0]=4 474 B9R0.2 CCCCCCC[C@@H](C)N MCULE-4735169409 [2,0,0,0,0,0|1,0,1]=4 475 B9R0.2 CCCCCCC[C@H](C)O MCULE-6211597611 [2,0,0,0,0,0|0,0,2]=4 476 B9R0.2 CCCCCCNC(=O)N MCULE-4236638652 [2,0,0,0,0,0|2,0,0]=4 477 B9R0.2 CCCCCCOC(=O)C MCULE-7353613022 [2,0,0,0,0,0|1,0,0]=3 478 B9R0.2 CCCCCCOC(=O)Cl MCULE-3135055168 [2,0,0,0,0,0|2,0,0]=4 479 B9R0.2 CCCCCCOC(=O)N MCULE-3909923308 [2,0,0,0,0,0|2,0,0]=4 480 B9R0.2 CCCCCNCC(=O)N MCULE-1817354788 [2,0,0,0,0,0|2,0,0]=4 481 B9R0.2 CCCCCNCC(=O)N MCULE-5558188497 [2,0,0,0,0,0|2,0,0]=4 482 B9R0.2 CCCCCOCC(=O)O MCULE-8190672624 [2,0,0,0,0,0|1,0,0]=3 483 B9R0.2 CCCCOCCC(=O)O MCULE-3735085695 [2,0,0,0,0,0|1,0,0]=3 484 B9R0.2 CCCCSCCC(=O)O MCULE-7414288717 [2,0,0,0,0,0|1,0,0]=3 485 B9R0.2 CCCOCCCC(=O)O MCULE-8829980105 [2,0,0,0,0,0|1,0,0]=3 486 B9R0.2 CCCSCCCC(=O)O MCULE-9850452520 [2,0,0,0,0,0|1,0,0]=3 487 B9R0.2 CCNCCCCC(=O)O MCULE-1386195341 [2,0,0,0,0,0|1,0,0]=3 488 B9R0.2 CCNCCCCC(=O)O MCULE-1922836400 [2,0,0,0,0,0|1,0,0]=3 489 B9R0.2 CCOCCCCC(=O)O MCULE-8522289104 [2,0,0,0,0,0|1,0,0]=3 490 B9R0.2 CCOCCOCC(=O)O MCULE-2273372397 [2,0,0,0,0,0|2,0,0]=4 491 B9R0.2 CNCCCCCC(=O)O MCULE-8016435275 [2,0,0,0,0,0|1,0,0]=3 492 B9R0.2 CNCCOCCC(=O)O MCULE-6581967922 [2,0,0,0,0,0|2,0,0]=4 493 B9R0.2 COCCCCCC(=O)O MCULE-1769987918 [2,0,0,0,0,0|1,0,0]=3 494 B9R0.2 COCCCCOC(=O)C MCULE-4352807618 [2,0,0,0,0,0|2,0,0]=4 495 B9R0.2 COCCCOCC(=O)O MCULE-7774967166 [2,0,0,0,0,0|2,0,0]=4 496 B9R0.2 COCCNCCC(=O)O MCULE-3571993123 [2,0,0,0,0,0|2,0,0]=4 497 B9R0.2 COCCOCCC(=O)O MCULE-5125891492 [2,0,0,0,0,0|2,0,0]=4 498 B9R0.2 CSCCCCCC(=O)O MCULE-9069370044 [2,0,0,0,0,0|1,0,0]=3 499 B9R0.2 C[NH2+]CCCCCC(=O)O MCULE-8971339830 [2,0,0,0,0,0|1,0,0]=3 500 B9R0.2 N#CCCCCCC(=O)O MCULE-6510846674 [2,0,0,0,0,0|1,0,1]=4 501 B9R0.2 NC(=O)CCCCCCO MCULE-7432797193 [2,0,0,0,0,0|2,0,0]=4 502 B9R0.2 NCCCCCCC(=O)N MCULE-9587339996 [2,0,0,0,0,0|2,0,0]=4 503 B9R0.2 NCCCCCCC(=O)O MCULE-6089872609 [2,0,0,0,0,0|1,0,0]=3 504 B9R0.2 NCCCCCCC(=O)O MCULE-7769232328 [2,0,0,0,0,0|1,0,0]=3 505 B9R0.2 NOCCCCCC(=O)O MCULE-3221083368 [2,0,0,0,0,0|2,0,0]=4 506 B9R0.2 NOCCCCCC(=O)O MCULE-6721085396 [2,0,0,0,0,0|2,0,0]=4 507 B9R0.2 NOCCCCCC(=O)O MCULE-7170875932 [2,0,0,0,0,0|2,0,0]=4 508 B9R0.2 O=C(O)CCCCCCBr MCULE-3980379488 [2,0,0,0,0,0|1,0,0]=3 509 B9R0.2 O=C(O)CCCCCCF MCULE-7539264820 [2,0,0,0,0,0|1,0,0]=3 510 B9R0.2 O=C(O)CCCCCCO MCULE-7270362706 [2,0,0,0,0,0|1,0,0]=3 511 B9R0.2 O=C(O)CCCCCCS MCULE-5659986053 [2,0,0,0,0,0|1,0,0]=3 512 B9R0.2 O=C(O)CCCNCCO MCULE-8202070706 [2,0,0,0,0,0|2,0,0]=4 513 B9R0.2 O=C(O)CNCCCCO MCULE-6377863888 [2,0,0,0,0,0|2,0,0]=4 514 B9R0.2 O=CCCCCCC(=O)O MCULE-1442157793 [2,0,0,0,0,0|1,0,1]=4 515 B9R0.45 C#CCCCCCCCC MCULE-3452683648 [2,0,0,0,0,0|0,0,2]=4 516 B9R0.45 C=CCCCCCCC=O MCULE-4979248929 [2,0,0,0,0,0|0,0,2]=4 517 B9R0.45 C=CCCCCCCCBr MCULE-6324921683 [2,0,0,0,0,0|1,0,1]=4 518 B9R0.45 C=CCCCCCCCC MCULE-1391753135 [2,0,0,0,0,0|0,0,1]=3 519 B9R0.45 C=CCCCCCCCCl MCULE-3438052360 [2,0,0,0,0,0|1,0,1]=4 520 B9R0.45 C=CCCCCCCCN MCULE-5068886534 [2,0,0,0,0,0|1,0,1]=4 521 B9R0.45 C=CCCCCCCCN MCULE-7639889154 [2,0,0,0,0,0|1,0,1]=4 522 B9R0.45 C=CCCCCCCCO MCULE-9611510472 [2,0,0,0,0,0|1,0,1]=4 523 B9R0.45 CC#CCCCCCCC MCULE-9888604196 [2,0,0,0,0,0|0,0,2]=4 524 B9R0.45 CC/C=C\CCCCC=O MCULE-6517193376 [2,0,0,0,0,0|0,0,2]=4 525 B9R0.45 CC=CCCCCCCC MCULE-6461098537 [2,0,0,0,0,0|0,0,1]=3 526 B9R0.45 CCC=CCCCCC=O MCULE-5419350827 [2,0,0,0,0,0|0,0,2]=4 527 B9R0.45 CCCCCC/C=C/C=O MCULE-5281758989 [2,0,0,0,0,0|0,0,2]=4 528 B9R0.45 CCCCCCC=CC=O MCULE-8114348514 [2,0,0,0,0,0|0,0,2]=4 529 B9R0.45 CCCCCCCCC#N MCULE-9980153452 [2,0,0,0,0,0|1,0,1]=4 530 B9R0.45 CCCCCCCCC=O MCULE-9888879952 [2,0,0,0,0,0|0,0,0]=2 531 B9R0.45 CCCCCCCCCBr MCULE-1405697483 [2,0,0,0,0,0|1,0,1]=4 532 B9R0.45 CCCCCCCCCC MCULE-6071426098 [2,0,0,0,0,0|0,0,1]=3 533 B9R0.45 CCCCCCCCCCl MCULE-6711902685 [2,0,0,0,0,0|1,0,1]=4 534 B9R0.45 CCCCCCCCCF MCULE-9584148452 [2,0,0,0,0,0|1,0,1]=4 535 B9R0.45 CCCCCCCCCI MCULE-8717337450 [2,0,0,0,0,0|1,0,1]=4 536 B9R0.45 CCCCCCCCCN MCULE-5395407299 [2,0,0,0,0,0|1,0,1]=4 537 B9R0.45 CCCCCCCCCO MCULE-4020281400 [2,0,0,0,0,0|0,0,1]=3 538 B9R0.45 CCCCCCCCCS MCULE-1070515106 [2,0,0,0,0,0|0,1,1]=4 539 B9R0.45 CCCCCCCCNC MCULE-6996288442 [2,0,0,0,0,0|1,0,0]=3 540 B9R0.45 CCCCCCCCOC MCULE-4646070035 [2,0,0,0,0,0|0,0,0]=2 541 B9R0.45 CCCCCCCCSC MCULE-5517176664 [2,0,0,0,0,0|0,1,0]=3 542 B9R0.45 CCCCCCCN=C=O MCULE-8681396809 [2,0,0,0,0,0|1,0,1]=4 543 B9R0.45 CCCCCCCNC=O MCULE-7638122818 [2,0,0,0,0,0|1,0,0]=3 544 B9R0.45 CCCCCCCNCC MCULE-3055645322 [2,0,0,0,0,0|1,0,1]=4 545 B9R0.45 CCCCCCCOC=O MCULE-6396391540 [2,0,0,0,0,0|1,0,0]=3 546 B9R0.45 CCCCCCNCCO MCULE-6828996225 [2,0,0,0,0,0|1,0,1]=4 547 B9R0.45 CCCCCCOCCO MCULE-1339769602 [2,0,0,0,0,0|1,0,1]=4 548 B9R0.45 CCCCCCSCCO MCULE-3331753796 [2,0,0,0,0,0|1,0,1]=4 549 B9R0.45 CCCCCNCCCC MCULE-4324738465 [2,0,0,0,0,0|1,0,1]=4 550 B9R0.45 CCCCCNCCNC MCULE-3521145032 [2,0,0,0,0,0|2,0,0]=4 551 B9R0.45 CCCCCOCCCO MCULE-3048029561 [2,0,0,0,0,0|1,0,1]=4 552 B9R0.45 CCCCNCCCCO MCULE-1748671401 [2,0,0,0,0,0|1,0,1]=4 553 B9R0.45 CCCCOCCCCO MCULE-1926189258 [2,0,0,0,0,0|1,0,1]=4 554 B9R0.45 CCNCCOCCOC MCULE-7366180249 [2,0,0,0,0,0|2,0,0]=4 555 B9R0.45 CCOCCOCCOC MCULE-8877803293 [2,0,0,0,0,0|2,0,0]=4 556 B9R0.45 CNCCCCCCNC MCULE-8440815147 [2,0,0,0,0,0|2,0,0]=4 557 B9R0.45 CNCCCNCCOC MCULE-3649953785 [2,0,0,0,0,0|2,0,0]=4 558 B9R0.45 CNCCOCCCOC MCULE-5420619528 [2,0,0,0,0,0|2,0,0]=4 559 B9R0.45 COCCCCCCOC MCULE-8796987038 [2,0,0,0,0,0|1,0,0]=3 560 B9R0.45 COCCCNCCCN MCULE-2970161939 [2,0,0,0,0,0|2,0,0]=4 561 B9R0.45 COCCCNCCOC MCULE-6284699375 [2,0,0,0,0,0|2,0,0]=4 562 B9R0.45 COCCCOCCCO MCULE-6516268580 [2,0,0,0,0,0|2,0,0]=4 563 B9R0.45 COCCNCCCCO MCULE-8413188192 [2,0,0,0,0,0|2,0,0]=4 564 B9R0.45 COCCOCCCCN MCULE-3477207788 [2,0,0,0,0,0|2,0,0]=4 565 B9R0.45 NCCCCCCCCO MCULE-1230018398 [2,0,0,0,0,0|1,0,1]=4 566 B9R0.45 O=CCCCCCCC=O MCULE-6545234470 [2,0,0,0,0,0|1,0,1]=4 567 B9R0.45 OCCCCCCCCBr MCULE-2005797184 [2,0,0,0,0,0|1,0,1]=4 568 B9R0.45 OCCCCCCCCCl MCULE-8776830410 [2,0,0,0,0,0|1,0,1]=4 569 B9R0.45 OCCCCCCCCI MCULE-7793639517 [2,0,0,0,0,0|1,0,1]=4 570 B9R0.45 OCCCCCCCCO MCULE-7897417838 [2,0,0,0,0,0|1,0,1]=4 571 B9R0.45 OCCCCCCCCS MCULE-8372814979 [2,0,0,0,0,0|1,0,1]=4 572 B9R0.45 [NH2+](CCCC)CCCCC MCULE-5314318531 [2,0,0,0,0,0|1,0,1]=4 573 B9R0.46 C#CCCCCC(=O)OC MCULE-4261649689 [2,0,0,0,0,0|0,0,2]=4 574 B9R0.46 C=CC(=O)CCCCCC MCULE-4486396694 [2,0,0,0,0,0|1,0,1]=4 575 B9R0.46 C=CCCCCC(=O)OC MCULE-7317556908 [2,0,0,0,0,0|0,0,2]=4 576 B9R0.46 CCCCC#CC(=O)OC MCULE-6610188635 [2,0,0,0,0,0|0,0,2]=4 577 B9R0.46 CCCCC=CC(=O)OC MCULE-3507079471 [2,0,0,0,0,0|0,0,2]=4 578 B9R0.46 CCCCCCC(=O)CBr MCULE-5041636942 [2,0,0,0,0,0|2,0,0]=4 579 B9R0.46 CCCCCCC(=O)CC MCULE-6606139631 [2,0,0,0,0,0|1,0,0]=3 580 B9R0.46 CCCCCCC(=O)NN MCULE-6491418749 [2,0,0,0,0,0|2,0,0]=4 581 B9R0.46 CCCCCCC(=O)NO MCULE-7308576516 [2,0,0,0,0,0|2,0,0]=4 582 B9R0.46 CCCCCCC(=O)OC MCULE-7883111323 [2,0,0,0,0,0|0,0,0]=2 583 B9R0.46 CCCCCOC(=O)CC MCULE-6912037911 [2,0,0,0,0,0|2,0,0]=4 584 B9R0.46 CCCCSCC(=O)OC MCULE-1208944064 [2,0,0,0,0,0|1,0,0]=3 585 B9R0.46 CCCNCCC(=O)NC MCULE-7368054577 [2,0,0,0,0,0|2,0,0]=4 586 B9R0.46 CCCNCCC(=O)OC MCULE-4786941347 [2,0,0,0,0,0|1,0,0]=3 587 B9R0.46 CCNCCCC(=O)OC MCULE-1330024068 [2,0,0,0,0,0|1,0,0]=3 588 B9R0.46 CCNCCCC(=O)OC MCULE-1608160566 [2,0,0,0,0,0|1,0,0]=3 589 B9R0.46 CNCCCCC(=O)OC MCULE-3479794664 [2,0,0,0,0,0|1,0,0]=3 590 B9R0.46 CNCCCCC(=O)OC MCULE-3875784281 [2,0,0,0,0,0|1,0,0]=3 591 B9R0.46 COC(=O)CCCCC=O MCULE-6810055406 [2,0,0,0,0,0|1,0,1]=4 592 B9R0.46 COC(=O)CCCCCBr MCULE-5661009403 [2,0,0,0,0,0|1,0,0]=3 593 B9R0.46 COC(=O)CCCCCCl MCULE-2967199349 [2,0,0,0,0,0|1,0,0]=3 594 B9R0.46 COC(=O)CCCCCI MCULE-6638103547 [2,0,0,0,0,0|1,0,0]=3 595 B9R0.46 COC(=O)CCCCCN MCULE-9013585398 [2,0,0,0,0,0|1,0,0]=3 596 B9R0.46 COC(=O)CCCCCN MCULE-9184696999 [2,0,0,0,0,0|1,0,0]=3 597 B9R0.46 COC(=O)CCCCCO MCULE-6405405706 [2,0,0,0,0,0|1,0,0]=3 598 B9R0.46 COC(=O)CCCCCS MCULE-3886120866 [2,0,0,0,0,0|1,0,0]=3 599 B9R0.46 COC(=O)CCNCCO MCULE-8673898296 [2,0,0,0,0,0|2,0,0]=4 600 B9R0.46 COC(=O)CCNCCO MCULE-9372452891 [2,0,0,0,0,0|2,0,0]=4 601 B9R0.46 COC(=O)CCOCCO MCULE-2103874995 [2,0,0,0,0,0|2,0,0]=4 602 B9R0.46 COC(=O)CCSCCBr MCULE-9094494560 [2,0,0,0,0,0|2,0,0]=4 603 B9R0.46 COC(=O)COCCCBr MCULE-4809392864 [2,0,0,0,0,0|2,0,0]=4 604 B9R0.46 COC(=O)CSCCCCl MCULE-4673663390 [2,0,0,0,0,0|2,0,0]=4 605 B9R0.46 COCCCCC(=O)OC MCULE-9886328481 [2,0,0,0,0,0|1,0,0]=3 606 B9R0.46 COCCNCC(=O)OC MCULE-2601282680 [2,0,0,0,0,0|2,0,0]=4 607 B9R0.46 COCCOCC(=O)OC MCULE-4614657424 [2,0,0,0,0,0|2,0,0]=4 608 B9R0.46 COCCSCC(=O)OC MCULE-2376910054 [2,0,0,0,0,0|2,0,0]=4 609 B11R0.2 C=C(C)CC(C)CCCCCC MCULE-9270463569 [1,1,0,0,0,0|1,0,0]=3 610 B11R0.2 CCC/C=C\CC(N)CC(=O)O MCULE-9494795833 [1,1,0,0,0,0|0,0,2]=4 611 B11R0.2 CCCCCCC(=O)CC(=O)C MCULE-1947947048 [1,1,0,0,0,0|0,0,1]=3 612 B11R0.2 CCCCCCC(=O)CC(=O)O MCULE-9513160139 [1,1,0,0,0,0|0,0,1]=3 613 B11R0.2 CCCCCCC(C)CC(=O)O MCULE-4777686649 [1,1,0,0,0,0|0,0,0]=2 614 B11R0.2 CCCCCCC(C)CC(C)C MCULE-7789928086 [1,1,0,0,0,0|1,0,1]=4 615 B11R0.2 CCCCCCC(C)OC(=O)C MCULE-6230359539 [1,1,0,0,0,0|1,0,0]=3 616 B11R0.2 CCCCCCC(N)CC(=O)O MCULE-6987665804 [1,1,0,0,0,0|0,0,0]=2 617 B11R0.2 CCCCCCC(N)CC(=O)O MCULE-8299240038 [1,1,0,0,0,0|0,0,0]=2 618 B11R0.2 CCCCCCC(O)CC(=O)O MCULE-8278468713 [1,1,0,0,0,0|0,0,0]=2 619 B11R0.2 CCCCCCN(C)CC(=O)O MCULE-5638671142 [1,1,0,0,0,0|1,0,0]=3 620 B11R0.2 CCCCCCN(C)CC(=O)O MCULE-6664823722 [1,1,0,0,0,0|1,0,0]=3 621 B11R0.2 CCCCCOC(=O)CC(=O)C MCULE-7604289070 [1,1,0,0,0,0|1,0,1]=4 622 B11R0.30 C=C(Br)CCCCCCC(=O)O MCULE-6895852201 [1,1,0,0,0,0|0,0,2]=4 623 B11R0.30 C=C(C)CCCCCCC(=O)O MCULE-4818988928 [1,1,0,0,0,0|0,0,1]=3 624 B11R0.30 C=C(C)CCCCCOC(=O)C MCULE-3589037568 [1,1,0,0,0,0|1,0,1]=4 625 B11R0.30 C=C(Cl)CCCCCCC(=O)O MCULE-6082663554 [1,1,0,0,0,0|0,0,2]=4 626 B11R0.30 CC(=O)CCCCCCC(=O)C MCULE-3854362746 [1,1,0,0,0,0|0,0,1]=3 627 B11R0.30 CC(=O)CCCCCCC(=O)O MCULE-6390414263 [1,1,0,0,0,0|0,0,1]=3 628 B11R0.30 CC(=O)NCCCCCC(=O)O MCULE-2324288602 [1,1,0,0,0,0|1,0,1]=4 629 B11R0.30 CC(=O)SCCCCCC(=O)O MCULE-7058924302 [1,1,0,0,0,0|1,0,1]=4 630 B11R0.30 CC(C)/C=C\CCCCC(=O)O MCULE-3685314454 [1,1,0,0,0,0|0,0,2]=4 631 B11R0.30 CC(C)C=CCCCCC(=O)O MCULE-9153738942 [1,1,0,0,0,0|0,0,2]=4 632 B11R0.30 CC(C)CCCCCCC(=O)O MCULE-7144406547 [1,1,0,0,0,0|0,0,0]=2 633 B11R0.30 CC(O)CCCCCCC(=O)O MCULE-7012579621 [1,1,0,0,0,0|0,0,0]=2 634 B11R0.30 CN(C)CCCCCCC(=O)O MCULE-5163840640 [1,1,0,0,0,0|1,0,0]=3 635 B11R0.30 CN(C)CCCCCCC(=O)O MCULE-5248234243 [1,1,0,0,0,0|1,0,0]=3 636 B11R0.30 O=C(O)CCCCCCC(=O)O MCULE-1380155289 [1,1,0,0,0,0|1,0,1]=4 637 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-1162188913 [1,1,0,0,0,0|0,0,2]=4 638 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-3131667346 [1,1,0,0,0,0|0,0,2]=4 639 B11R0.42 C=CCCCCCC(N)C(=O)O MCULE-4888632865 [1,1,0,0,0,0|0,0,2]=4 640 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-5391769158 [1,1,0,0,0,0|0,0,2]=4 641 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-5861402789 [1,1,0,0,0,0|0,0,2]=4 642 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-8081984411 [1,1,0,0,0,0|0,0,2]=4 643 B11R0.42 C=CCCCCC[C@@H](N)C(=O)O MCULE-8137198974 [1,1,0,0,0,0|0,0,2]=4 644 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-1233544353 [1,1,0,0,0,0|0,0,2]=4 645 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-3790089576 [1,1,0,0,0,0|0,0,2]=4 646 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-8748986273 [1,1,0,0,0,0|0,0,2]=4 647 B11R0.42 C=CCCCCC[C@H](N)C(=O)O MCULE-9105977293 [1,1,0,0,0,0|0,0,2]=4 648 B11R0.42 CCCCCCCC(C)C(=O)C MCULE-1764436007 [1,1,0,0,0,0|0,0,0]=2 649 B11R0.42 CCCCCCCC(C)C(=O)O MCULE-1400601550 [1,1,0,0,0,0|0,0,0]=2 650 B11R0.42 CCCCCCCC(C)C(C)C MCULE-1381751569 [1,1,0,0,0,0|1,0,1]=4 651 B11R0.42 CCCCCCCC(N)C(=O)O MCULE-4518631723 [1,1,0,0,0,0|0,0,0]=2 652 B11R0.42 CCCCCCC[C@@H](N)C(=O)O MCULE-7367412741 [1,1,0,0,0,0|0,0,0]=2 653 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4025079053 [1,1,0,0,0,0|0,0,0]=2 654 B11R0.42 CCCCCCC[C@H](N)C(=O)O MCULE-4061410149 [1,1,0,0,0,0|0,0,0]=2 655 B11R0.42 CCCCCCOC(C)C(=O)O MCULE-5771954047 [1,1,0,0,0,0|1,0,0]=3 656 B11R0.42 CCCCSCCC(N)C(=O)O MCULE-9943276345 [1,1,0,0,0,0|1,0,0]=3 657 B11R0.42 CCCCSCC[C@@H](N)C(=O)O MCULE-5947369888 [1,1,0,0,0,0|1,0,0]=3 658 B11R0.42 CCCCSCC[C@H](N)C(=O)O MCULE-6636715475 [1,1,0,0,0,0|1,0,0]=3 659 B11R0.42 CCOCCNCC(C)C(=O)O MCULE-1411337428 [1,1,0,0,0,0|2,0,0]=4 660 B11R0.42 CCOCCNCC(C)C(=O)O MCULE-9110675077 [1,1,0,0,0,0|2,0,0]=4 661 B11R0.46 C=C(C)CCC(C)CCCCC MCULE-6425071148 [1,1,0,0,0,0|1,0,0]=3 662 B11R0.46 CCCCCC(=O)CCC(=O)O MCULE-5964650416 [1,1,0,0,0,0|0,0,1]=3 663 B11R0.46 CCCCCC(=O)NCC(=O)O MCULE-3960557642 [1,1,0,0,0,0|1,0,1]=4 664 B11R0.46 CCCCCC(C)CCC(=O)O MCULE-3703948906 [1,1,0,0,0,0|0,0,0]=2 665 B11R0.46 CCCCCC(O)/C=C/C(=O)O MCULE-9091234698 [1,1,0,0,0,0|0,0,2]=4 666 B11R0.46 CCCCCC(O)C=CC(=O)O MCULE-5393476184 [1,1,0,0,0,0|0,0,2]=4 667 B11R0.46 CCCCCC(O)CCC(=O)N MCULE-6288630989 [1,1,0,0,0,0|1,0,0]=3 668 B11R0.46 CCCCCN(C)CCC(=O)O MCULE-4617741875 [1,1,0,0,0,0|1,0,0]=3 669 B11R0.46 CCCCCN(C)CCC(=O)O MCULE-9023573702 [1,1,0,0,0,0|1,0,0]=3 670 B11R0.46 CCCCNC(=O)CCC(=O)O MCULE-8929331080 [1,1,0,0,0,0|1,0,1]=4 671 B11R0.46 CCCCOC(=O)CCC(=O)C MCULE-7095079350 [1,1,0,0,0,0|1,0,1]=4 672 B11R0.111 CCC(=O)CCCCCC(=O)O MCULE-8603570043 [1,1,0,0,0,0|0,0,1]=3 673 B11R0.111 CCC(C)CCCCCC(=O)O MCULE-5195758876 [1,1,0,0,0,0|0,0,0]=2 674 B11R0.111 COC(=O)CCCCCC(=O)O MCULE-7307151830 [1,1,0,0,0,0|1,0,1]=4 675 B11R0.111 O=C(O)CCCSCC(O)CO MCULE-6771933903 [1,1,0,0,0,0|2,0,0]=4 676 B11R0.147 CCCCC(=O)CCCC(=O)O MCULE-4828153043 [1,1,0,0,0,0|0,0,1]=3 677 B11R0.147 CCCCC(C)CCCC(=O)O MCULE-8642965123 [1,1,0,0,0,0|0,0,0]=2 678 B11R0.147 CCCC[C@@H](C)CCC=C(C)C MCULE-6446802470 [1,1,0,0,0,0|1,0,1]=4 679 B11R0.147 CCCNC(=O)CCCC(=O)O MCULE-5121990390 [1,1,0,0,0,0|1,0,1]=4 680 B11R0.148 C#CCCCCCCCC(=O)O MCULE-1292545040 [1,1,0,0,0,0|0,0,1]=3 681 B11R0.148 C=C(Br)CCCCCCCCC MCULE-3332268450 [1,1,0,0,0,0|1,0,1]=4 682 B11R0.148 C=C(C)CCCCCCCC#N MCULE-9047905081 [1,1,0,0,0,0|1,0,1]=4 683 B11R0.148 C=C(C)CCCCCCCCC MCULE-1709497926 [1,1,0,0,0,0|1,0,0]=3 684 B11R0.148 C=C(Cl)CCCCCCCCC MCULE-9304719526 [1,1,0,0,0,0|1,0,1]=4 685 B11R0.148 C=CCCCCCCCC(=C)C MCULE-4065354989 [1,1,0,0,0,0|1,0,1]=4 686 B11R0.148 C=CCCCCCCCC(=O)O MCULE-3892173219 [1,1,0,0,0,0|0,0,1]=3 687 B11R0.148 C=CCCCCCCOC(=O)C MCULE-2561625191 [1,1,0,0,0,0|0,0,2]=4 688 B11R0.148 C=CCCOCCCCC(=O)O MCULE-6026091154 [1,1,0,0,0,0|0,0,2]=4 689 B11R0.148 C=CCOCCCCCC(=O)O MCULE-9227890338 [1,1,0,0,0,0|0,0,2]=4 690 B11R0.148 CC(=O)CCCCCCCCBr MCULE-8502798206 [1,1,0,0,0,0|0,0,0]=2 691 B11R0.148 CC(=O)OCCCCCCC=O MCULE-8513857573 [1,1,0,0,0,0|1,0,1]=4 692 B11R0.148 CC(C)CCCCCCCCO MCULE-9926933955 [1,1,0,0,0,0|1,0,1]=4 693 B11R0.148 CC(O)CCCCCCCCO MCULE-6820244164 [1,1,0,0,0,0|0,0,2]=4 694 B11R0.148 CCCC/C=C\CCOC(=O)C MCULE-5044870920 [1,1,0,0,0,0|0,0,2]=4 695 B11R0.148 CCCCC/C=C/CCC(=O)O MCULE-1356880290 [1,1,0,0,0,0|0,0,1]=3 696 B11R0.148 CCCCC=CCCOC(=O)C MCULE-8921990055 [1,1,0,0,0,0|0,0,2]=4 697 B11R0.148 CCCCCC/C=C/CC(=O)O MCULE-1834860815 [1,1,0,0,0,0|0,0,1]=3 698 B11R0.148 CCCCCC=CCCC(=O)O MCULE-1637451620 [1,1,0,0,0,0|0,0,1]=3 699 B11R0.148 CCCCCCC/C=C/C(=O)O MCULE-3189731619 [1,1,0,0,0,0|0,0,1]=3 700 B11R0.148 CCCCCCC/C=C\C(=O)O MCULE-5508964733 [1,1,0,0,0,0|0,0,1]=3 701 B11R0.148 CCCCCCC=CCC(=O)O MCULE-5816262119 [1,1,0,0,0,0|0,0,1]=3 702 B11R0.148 CCCCCCCC=CC(=O)O MCULE-9648702049 [1,1,0,0,0,0|0,0,1]=3 703 B11R0.148 CCCCCCCCCC(=N)N MCULE-6113298447 [1,1,0,0,0,0|2,0,0]=4 704 B11R0.148 CCCCCCCCCC(=N)N MCULE-7599360964 [1,1,0,0,0,0|2,0,0]=4 705 B11R0.148 CCCCCCCCCC(=O)C MCULE-6858373499 [1,1,0,0,0,0|0,0,0]=2 706 B11R0.148 CCCCCCCCCC(=O)Cl MCULE-4226412977 [1,1,0,0,0,0|1,0,0]=3 707 B11R0.148 CCCCCCCCCC(=O)F MCULE-1839398331 [1,1,0,0,0,0|1,0,0]=3 708 B11R0.148 CCCCCCCCCC(=O)N MCULE-1159230758 [1,1,0,0,0,0|1,0,0]=3 709 B11R0.148 CCCCCCCCCC(=O)O MCULE-3914949169 [1,1,0,0,0,0|0,0,0]=2 710 B11R0.148 CCCCCCCCCC(=O)O MCULE-7204730113 [1,1,0,0,0,0|0,0,0]=2 711 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-2720595773 [1,1,0,0,0,0|0,0,1]=3 712 B11R0.148 CCCCCCCCCC(=O)[O-] MCULE-7398604282 [1,1,0,0,0,0|0,0,1]=3 713 B11R0.148 CCCCCCCCCC(C)C MCULE-1079534714 [1,1,0,0,0,0|1,0,1]=4 714 B11R0.148 CCCCCCCCCC(C)N MCULE-8277808063 [1,1,0,0,0,0|1,0,1]=4 715 B11R0.148 CCCCCCCCCC(C)O MCULE-8628471202 [1,1,0,0,0,0|0,0,2]=4 716 B11R0.148 CCCCCCCCCN(=O)=O MCULE-5909474153 [1,1,0,0,0,0|1,0,1]=4 717 B11R0.148 CCCCCCCCN=C(N)N MCULE-8281267777 [1,1,0,0,0,0|2,0,0]=4 718 B11R0.148 CCCCCCCCN=C(N)N MCULE-9658902055 [1,1,0,0,0,0|2,0,0]=4 719 B11R0.148 CCCCCCCCNC(=O)N MCULE-1005292011 [1,1,0,0,0,0|1,0,0]=3 720 B11R0.148 CCCCCCCCNC(=S)N MCULE-3981792857 [1,1,0,0,0,0|1,1,0]=4 721 B11R0.148 CCCCCCCCOC(=O)C MCULE-8590238161 [1,1,0,0,0,0|0,0,0]=2 722 B11R0.148 CCCCCCCCOC(=O)Cl MCULE-2623966790 [1,1,0,0,0,0|1,0,0]=3 723 B11R0.148 CCCCCCCCOC(=S)[S-] MCULE-4226166972 [1,1,0,0,0,0|0,2,0]=4 724 B11R0.148 CCCCCCCCOC(=S)[S-] MCULE-7459596444 [1,1,0,0,0,0|0,2,0]=4 725 B11R0.148 CCCCCCCNCC(=O)O MCULE-2155508761 [1,1,0,0,0,0|0,0,0]=2 726 B11R0.148 CCCCCCCNCC(=O)O MCULE-8805007132 [1,1,0,0,0,0|0,0,0]=2 727 B11R0.148 CCCCCCCSCC(=O)O MCULE-7218313490 [1,1,0,0,0,0|0,0,0]=2 728 B11R0.148 CCCCOCCOCC(=O)O MCULE-3118678736 [1,1,0,0,0,0|1,0,0]=3 729 B11R0.148 CCCCSCCCCC(=O)O MCULE-1665011362 [1,1,0,0,0,0|0,0,0]=2 730 B11R0.148 CCOCCOCCCC(=O)O MCULE-5210306588 [1,1,0,0,0,0|1,0,0]=3 731 B11R0.148 CCOCCOCCOC(=O)C MCULE-2995602513 [1,1,0,0,0,0|2,0,0]=4 732 B11R0.148 CN(C)CCCCCCCCN MCULE-6651981566 [1,1,0,0,0,0|2,0,0]=4 733 B11R0.148 CN(C)CCCCCCCCO MCULE-5273481320 [1,1,0,0,0,0|2,0,0]=4 734 B11R0.148 COCCOCCOCC(=O)O MCULE-8142044106 [1,1,0,0,0,0|2,0,0]=4 735 B11R0.148 N#N=NCCCCCCC(=O)O MCULE-5582413457 [1,1,0,0,0,0|2,0,0]=4 736 B11R0.148 NC(=O)CCCCCCCCCl MCULE-4533445908 [1,1,0,0,0,0|1,0,0]=3 737 B11R0.148 NCCCCCCCCC(=O)O MCULE-9064856591 [1,1,0,0,0,0|0,0,0]=2 738 B11R0.148 NCCOCCOCCC(=O)O MCULE-7286284064 [1,1,0,0,0,0|2,0,0]=4 739 B11R0.148 NCCOCCOCCC(=O)O MCULE-8782232340 [1,1,0,0,0,0|2,0,0]=4 740 B11R0.148 O=C(O)CCCCCCCCBr MCULE-2459167157 [1,1,0,0,0,0|0,0,0]=2 741 B11R0.148 O=C(O)CCCCCCCCCl MCULE-9010808862 [1,1,0,0,0,0|0,0,0]=2 742 B11R0.148 O=C(O)CCCCCCCCO MCULE-6121514710 [1,1,0,0,0,0|0,0,0]=2 743 B11R0.148 O=C(O)CCOCCOCCBr MCULE-3253906029 [1,1,0,0,0,0|2,0,0]=4 744 B11R0.148 O=C(O)CCOCCOCCO MCULE-9797832183 [1,1,0,0,0,0|2,0,0]=4 745 B11R0.148 O=C(O)CCOCCOCCS MCULE-1627429574 [1,1,0,0,0,0|2,0,0]=4 746 B11R0.148 O=CCCCCCCCC(=O)O MCULE-8345312745 [1,1,0,0,0,0|0,0,1]=3 747 B11R0.148 O=N(=O)CCCCCCCCBr MCULE-5806801538 [1,1,0,0,0,0|1,0,1]=4 748 B11R0.148 O=N(=O)CCCCCCCCO MCULE-3641883800 [1,1,0,0,0,0|1,0,1]=4 749 B11R0.159 CCCCCCCCC(C)(C)C MCULE-9346167511 [1,1,0,0,0,0|1,0,1]=4 750 B11R0.159 CCCCCCCCP(=O)(Cl)Cl MCULE-8094082819 [1,1,0,0,0,0|2,0,0]=4 751 B11R0.159 CCCCCCCCP(=O)(O)O MCULE-2397771742 [1,1,0,0,0,0|1,0,0]=3 752 B11R0.159 CCCCCCCCS(=O)(=O)Cl MCULE-7906722324 [1,1,0,0,0,0|1,0,1]=4 753 B11R0.159 CCCCCCCCS(=O)(=O)N MCULE-8276362302 [1,1,0,0,0,0|1,0,1]=4 754 B11R0.159 CCCCCCCCS(=O)(=O)O MCULE-2083628454 [1,1,0,0,0,0|1,0,0]=3 755 B11R0.159 CCCCCCCCS(=O)(=O)[O-] MCULE-9017426987 [1,1,0,0,0,0|1,0,1]=4 756 B11R0.159 CCCCCCCC[N+](C)(C)C MCULE-8224932542 [1,1,0,0,0,0|2,0,0]=4 757 B11R0.159 CCCCCCCC[N+](C)(C)C MCULE-8271976836 [1,1,0,0,0,0|2,0,0]=4 758 B11R0.159 CCCCCCCC[N+](C)(C)C MCULE-9239605360 [1,1,0,0,0,0|2,0,0]=4 759 B11R0.159 CCCCCCCC[Si](C)(C)Cl MCULE-8932096350 [1,1,0,0,0,0|1,1,0]=4 760 B11R0.159 CCCCCCCC[Si](C)(Cl)Cl MCULE-3522647741 [1,1,0,0,0,0|1,1,0]=4 761 B11R0.159 CCCCCCCOS(=O)(=O)O MCULE-8923295424 [1,1,0,0,0,0|2,0,0]=4 762 B11R0.176 CCCC(=O)CCCCC(=O)O MCULE-8623857142 [1,1,0,0,0,0|0,0,1]=3 763 B11R0.176 CCCC(=O)OCCCC(=O)C MCULE-4762451697 [1,1,0,0,0,0|1,0,1]=4 764 B11R0.176 CCOC(=O)CCCCC(=O)O MCULE-2798201385 [1,1,0,0,0,0|1,0,1]=4 765 B11R0.176 O=C(O)CCCCC(Cl)CCCl MCULE-3578422199 [1,1,0,0,0,0|1,0,0]=3 766 B11R0.176 O=C(O)CCCCC(O)CCO MCULE-6457534836 [1,1,0,0,0,0|1,0,0]=3 767 B11R0.176 O=C(O)CCCCC(S)CCS MCULE-3176735035 [1,1,0,0,0,0|1,0,0]=3 768 B11R0.176 O=C(O)CCCC[C@@H](S)CCS MCULE-1048565718 [1,1,0,0,0,0|1,0,0]=3 769 B11R0.3 CC#CCCCCCCCCO MCULE-5846426924 [1,1,0,0,0,0|1,0,1]=4 770 B11R0.3 CCCCCCCCC=CC=O MCULE-3569381965 [1,1,0,0,0,0|1,0,1]=4 771 B11R0.3 CCCCCCCCC=CCO MCULE-3768375215 [1,1,0,0,0,0|1,0,0]=3 772 B11R0.3 CCCCCCCCCCCBr MCULE-1007413186 [1,1,0,0,0,0|1,0,1]=4 773 B11R0.3 CCCCCCCCCCCC MCULE-3947157412 [1,1,0,0,0,0|1,0,1]=4 774 B11R0.3 CCCCCCCCCCCCl MCULE-9378407763 [1,1,0,0,0,0|1,0,1]=4 775 B11R0.3 CCCCCCCCCCCI MCULE-2947342202 [1,1,0,0,0,0|1,0,1]=4 776 B11R0.3 CCCCCCCCCCCN MCULE-7249870518 [1,1,0,0,0,0|1,0,1]=4 777 B11R0.3 CCCCCCCCCCCO MCULE-9897986150 [1,1,0,0,0,0|1,0,1]=4 778 B11R0.3 CCCCCCCCCCCS MCULE-6868324316 [1,1,0,0,0,0|1,0,1]=4 779 B11R0.3 CCCCCCCCCCNC MCULE-1416369118 [1,1,0,0,0,0|1,0,1]=4 780 B11R0.3 CCCCCCCCCCNC MCULE-6168905746 [1,1,0,0,0,0|1,0,1]=4 781 B11R0.3 CCCCCCCCCCOC MCULE-1264379510 [1,1,0,0,0,0|0,0,1]=3 782 B11R0.3 CCCCCCCCCCON MCULE-2069797576 [1,1,0,0,0,0|1,0,1]=4 783 B11R0.3 CCCCCCCCCCON MCULE-7830749583 [1,1,0,0,0,0|1,0,1]=4 784 B11R0.3 CCCCCCCCCCSC MCULE-7334657081 [1,1,0,0,0,0|0,1,1]=4 785 B11R0.3 CCCCCCCCCNCC MCULE-2932168769 [1,1,0,0,0,0|1,0,1]=4 786 B11R0.3 CCCCCCCCCOC=O MCULE-1616501735 [1,1,0,0,0,0|0,0,2]=4 787 B11R0.3 CCCCCCCCCSCC MCULE-6635551100 [1,1,0,0,0,0|0,1,1]=4 788 B11R0.3 CCCCCCCCNCCC MCULE-8531662839 [1,1,0,0,0,0|1,0,1]=4 789 B11R0.3 CCCCCCCCNCCN MCULE-7559905889 [1,1,0,0,0,0|2,0,0]=4 790 B11R0.3 CCCCCCCCNCCO MCULE-7874582103 [1,1,0,0,0,0|2,0,0]=4 791 B11R0.3 CCCCCCCCNOCC MCULE-3650695826 [1,1,0,0,0,0|1,0,0]=3 792 B11R0.3 CCCCCCCCNOCC MCULE-5548504565 [1,1,0,0,0,0|1,0,0]=3 793 B11R0.3 CCCCCCCCOCCCl MCULE-7562352297 [1,1,0,0,0,0|2,0,0]=4 794 B11R0.3 CCCCCCCCOCCN MCULE-8451506183 [1,1,0,0,0,0|2,0,0]=4 795 B11R0.3 CCCCCCCCOCCN MCULE-9814984146 [1,1,0,0,0,0|2,0,0]=4 796 B11R0.3 CCCCCCCCOCCO MCULE-9752110999 [1,1,0,0,0,0|2,0,0]=4 797 B11R0.3 CCCCCCCCSCCN MCULE-5010227243 [1,1,0,0,0,0|2,0,0]=4 798 B11R0.3 CCCCCCCCSCCO MCULE-6587527936 [1,1,0,0,0,0|2,0,0]=4 799 B11R0.3 CCCCCCCCSCCS MCULE-1947094413 [1,1,0,0,0,0|2,0,0]=4 800 B11R0.3 CCCCCCCNCCCC MCULE-4951242533 [1,1,0,0,0,0|1,0,1]=4 801 B11R0.3 CCCCCCNCCCOC MCULE-6742672078 [1,1,0,0,0,0|0,0,1]=3 802 B11R0.3 CCCCOCCOCCOC MCULE-8111177194 [1,1,0,0,0,0|1,0,1]=4 803 B11R0.3 CCNCCCCCCNCC MCULE-1626825133 [1,1,0,0,0,0|2,0,0]=4 804 B11R0.3 CCNCCCNCCCOC MCULE-1166620245 [1,1,0,0,0,0|1,0,1]=4 805 B11R0.3 CCOCCCCCCCCO MCULE-8839640265 [1,1,0,0,0,0|1,0,1]=4 806 B11R0.3 CCSCCCCCCSCC MCULE-1161288056 [1,1,0,0,0,0|2,0,0]=4 807 B11R0.3 CNCCCCCCCCNC MCULE-2607021323 [1,1,0,0,0,0|1,0,1]=4 808 B11R0.3 COCCCCCCCCC=O MCULE-4530790122 [1,1,0,0,0,0|0,0,2]=4 809 B11R0.3 COCCCCCCCCCBr MCULE-8740247574 [1,1,0,0,0,0|0,0,1]=3 810 B11R0.3 COCCCCCCCCCN MCULE-5428647902 [1,1,0,0,0,0|0,0,1]=3 811 B11R0.3 COCCCCCCCCCO MCULE-5483027656 [1,1,0,0,0,0|0,0,1]=3 812 B11R0.3 COCCCCCCCCOC MCULE-6292448161 [1,1,0,0,0,0|0,0,1]=3 813 B11R0.3 [NH2+](CCCC)CCCCCCC MCULE-5696674484 [1,1,0,0,0,0|1,0,1]=4 814 B11R0.4 CCCCCCCC(O)CCC MCULE-3007528112 [1,1,0,0,0,0|1,0,1]=4 815 B11R0.81 CCCCCCC(O)CCCC MCULE-1549907527 [1,1,0,0,0,0|1,0,1]=4 816 B11R0.140 CCCCCC(N)CCCCC MCULE-7357551566 [1,1,0,0,0,0|1,0,1]=4 817 B11R0.140 CCCCCC(O)CCCCC MCULE-6556320478 [1,1,0,0,0,0|1,0,1]=4 818 B11R0.70 COC(=O)NCC(O)CCSC MCULE-5675788618 [1,1,0,0,0,0|2,0,0]=4 819 B11R0.70 COCCN(C)CCC(=O)OC MCULE-2219607633 [1,1,0,0,0,0|2,0,0]=4 820 B11R0.106 COC(=O)CCCCC(=O)OC MCULE-2088809384 [1,1,0,0,0,0|1,0,1]=4 821 B11R0.124 CCCCCCCC(OC)OC MCULE-1543024371 [1,1,0,0,0,0|0,0,2]=4 822 B11R0.142 CCCCCCC(Br)C(=O)OC MCULE-3994207813 [1,1,0,0,0,0|0,0,0]=2 823 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-1398170037 [1,1,0,0,0,0|0,0,0]=2 824 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-3295480977 [1,1,0,0,0,0|0,0,0]=2 825 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-5212970889 [1,1,0,0,0,0|0,0,0]=2 826 B11R0.142 CCCCCC[C@H](N)C(=O)OC MCULE-7851215638 [1,1,0,0,0,0|0,0,0]=2 827 B11R0.142 CCCCNCC(C)C(=O)OC MCULE-9643286363 [1,1,0,0,0,0|1,0,0]=3 828 B11R0.142 COCCNCC(C)C(=O)OC MCULE-7340240400 [1,1,0,0,0,0|2,0,0]=4 829 B11R0.154 CCCCCC(=O)CC(=O)OC MCULE-9153189731 [1,1,0,0,0,0|0,0,1]=3 830 B11R0.154 CCCCCC(C)NC(=O)CC MCULE-5203796337 [1,1,0,0,0,0|2,0,0]=4 831 B11R0.154 CCCCCC(C)NC(=O)OC MCULE-7863422076 [1,1,0,0,0,0|1,0,0]=3 832 B11R0.154 CCCCCC(O)CC(=O)OC MCULE-9477041708 [1,1,0,0,0,0|0,0,0]=2 833 B11R0.154 CCCCC[C@H](O)CC(=O)OC MCULE-4127190955 [1,1,0,0,0,0|0,0,0]=2 834 B11R0.154 CCCCNC(C)CC(=O)OC MCULE-5927405723 [1,1,0,0,0,0|1,0,0]=3 835 B11R0.154 COCCNC(C)CC(=O)OC MCULE-5781735995 [1,1,0,0,0,0|2,0,0]=4 836 B11R0.174 CCOC(=O)CCCC(=O)OC MCULE-5319719134 [1,1,0,0,0,0|1,0,1]=4 837 B13R0.2 C(=CCCC(=O)OCC)CCCCC MCULE-7720982156 [0,2,0,0,0,0|0,0,1]=3 838 B13R0.2 C=CCCCCCCCC(=O)OCC MCULE-7330309912 [0,2,0,0,0,0|0,0,1]=3 839 B13R0.2 C=COC(=O)CCCCCCCCC MCULE-6857715884 [0,2,0,0,0,0|0,0,1]=3 840 B13R0.2 CCCCC/C=C/CCC(=O)OCC MCULE-2528964118 [0,2,0,0,0,0|0,0,1]=3 841 B13R0.2 CCCCCCC/C=C/C(=O)OCC MCULE-9821388261 [0,2,0,0,0,0|0,0,1]=3 842 B13R0.2 CCCCCCCC=CC(=O)OCC MCULE-8496462023 [0,2,0,0,0,0|0,0,1]=3 843 B13R0.2 CCCCCCCCC/C(=C/CBr)/C MCULE-3162465870 [0,2,0,0,0,0|2,0,0]=4 844 B13R0.2 CCCCCCCCCC(=O)CCC MCULE-7843912102 [0,2,0,0,0,0|1,0,0]=3 845 B13R0.2 CCCCCCCCCC(=O)OCC MCULE-9201389917 [0,2,0,0,0,0|0,0,0]=2 846 B13R0.2 CCCCCCCCCC(=O)OCCl MCULE-4204116817 [0,2,0,0,0,0|0,0,0]=2 847 B13R0.2 CCCCCCCCCC(=O)OCI MCULE-3516770567 [0,2,0,0,0,0|0,0,0]=2 848 B13R0.2 CCCCCCCCNC(=O)CC#N MCULE-2816658013 [0,2,0,0,0,0|1,0,1]=4 849 B13R0.2 CCCCCCCCOC(=O)CC#N MCULE-4816511178 [0,2,0,0,0,0|1,0,1]=4 850 B13R0.2 CCCCCCCCOC(=O)CCC MCULE-8890710257 [0,2,0,0,0,0|1,0,0]=3 851 B13R0.2 CCCCCCNCCC(=O)OCC MCULE-8059203538 [0,2,0,0,0,0|0,0,0]=2 852 B13R0.2 CCOC(=O)CCCCCCCCBr MCULE-7199679649 [0,2,0,0,0,0|0,0,0]=2 853 B13R0.2 CCOC(=O)CCCCCCN=N#N MCULE-8321573793 [0,2,0,0,0,0|2,0,0]=4 854 B13R0.2 CCOC(=O)CCOCCOCCO MCULE-8136577453 [0,2,0,0,0,0|2,0,0]=4 855 B13R0.2 CCOCCCNCCC(=O)OCC MCULE-5907720522 [0,2,0,0,0,0|1,0,0]=3 856 B13R0.66 C=CCOC(=O)CCCCCCCC MCULE-4814095857 [0,2,0,0,0,0|0,0,0]=2 857 B13R0.66 C=CCOC(=O)NCCCCCCN MCULE-5273699751 [0,2,0,0,0,0|2,0,0]=4 858 B13R0.66 C=CCOC(=O)NCCCCCCO MCULE-5619662729 [0,2,0,0,0,0|2,0,0]=4 859 B13R0.66 CCCCCCCCC(=O)CCCC MCULE-3156876863 [0,2,0,0,0,0|1,0,0]=3 860 B13R0.66 CCCCCCCCS(=O)CCCO MCULE-2280372695 [0,2,0,0,0,0|2,0,0]=4 861 B13R0.87 CCOC(=O)CCCCCC(=O)CC MCULE-9296151326 [0,2,0,0,0,0|0,0,1]=3 862 B13R0.87 CCOC(=O)CNCCCC(=O)OC MCULE-9570806512 [0,2,0,0,0,0|1,0,1]=4 863 B13R0.88 C=C(Br)CCCCCCC(=O)OCC MCULE-4287197501 [0,2,0,0,0,0|0,0,2]=4 864 B13R0.88 C=C(C)CCCCCCC(=O)OCC MCULE-4909005807 [0,2,0,0,0,0|0,0,1]=3 865 B13R0.88 C=C(Cl)CCCCCCC(=O)OCC MCULE-7000981381 [0,2,0,0,0,0|0,0,2]=4 866 B13R0.88 CC(C)CCCCCOC(=O)CCS MCULE-3763238374 [0,2,0,0,0,0|2,0,0]=4 867 B13R0.88 CCOC(=O)CCCCCCC(=O)O MCULE-5379886661 [0,2,0,0,0,0|1,0,1]=4 868 B13R0.88 CCOC(=O)CCCCCCN(=O)=O MCULE-3042680473 [0,2,0,0,0,0|2,0,0]=4 869 B13R0.88 CCOC(=O)CCCCCOC(=O)C MCULE-7762272982 [0,2,0,0,0,0|1,0,1]=4 870 B13R0.88 CCOC(=O)CCNCCCN(C)C MCULE-1215691233 [0,2,0,0,0,0|2,0,0]=4 871 B13R0.175 CCCCC(=O)CCCC(=O)OCC MCULE-9779499391 [0,2,0,0,0,0|0,0,1]=3 872 B13R0.193 CCCCCC(=O)CCC(=O)OCC MCULE-4346357886 [0,2,0,0,0,0|0,0,1]=3 873 B13R0.193 CCCCCC(O)C=CC(=O)OCC MCULE-6682483213 [0,2,0,0,0,0|0,0,2]=4 874 B13R0.275 CCCCCCCC(C)C(=O)OCC MCULE-3939081286 [0,2,0,0,0,0|0,0,0]=2 875 B13R0.275 CCOC(=O)C(=O)CCCCCCCl MCULE-6238076438 [0,2,0,0,0,0|1,0,1]=4 876 B13R0.330 CCCCCCC(=O)CC(=O)OCC MCULE-7009669263 [0,2,0,0,0,0|0,0,1]=3 877 B13R0.330 CCCCCCC(O)CC(=O)OCC MCULE-1322338775 [0,2,0,0,0,0|0,0,0]=2 878 B13R0.335 CCCCCCCCC(=O)NC(C)C MCULE-2834737168 [0,2,0,0,0,0|1,0,0]=3 879 B13R0.335 CCCCCCCCC(=O)OC(C)C MCULE-6579125494 [0,2,0,0,0,0|0,0,0]=2 880 B13R0.335 CCCCCCCOC(=O)CC(=O)C MCULE-3029543829 [0,2,0,0,0,0|2,0,0]=4 881 B13R0.340 CCCCCCCCC(O)C(=O)OC MCULE-6749847751 [0,2,0,0,0,0|0,0,0]=2 882 B13R0.340 CCCCCCCCN(C)C(=O)CCl MCULE-3998181585 [0,2,0,0,0,0|2,0,0]=4 883 B13R0.340 CCCCCCCOC(C)C(=O)OC MCULE-7571050565 [0,2,0,0,0,0|0,0,0]=2 884 B13R0.340 CCCCCCNCC(C)C(=O)OC MCULE-5057262725 [0,2,0,0,0,0|0,0,0]=2 885 B13R0.340 CCOCCCNCC(C)C(=O)OC MCULE-6091929177 [0,2,0,0,0,0|1,0,0]=3 886 B13R0.367 CCCC(=O)CCCCC(=O)OCC MCULE-3320708203 [0,2,0,0,0,0|0,0,1]=3 887 B13R0.367 CCOC(=O)CCCCC(=O)CCCl MCULE-6538968674 [0,2,0,0,0,0|1,0,1]=4 888 B13R0.367 CCOC(=O)CCCCC(=O)OCC MCULE-2781050180 [0,2,0,0,0,0|1,0,1]=4 889 B13R0.367 CCOC(=O)CCCCC(Cl)CCCl MCULE-9571782817 [0,2,0,0,0,0|1,0,0]=3 890 B13R0.367 CCOC(=O)CCCCC(O)CCCl MCULE-5110914158 [0,2,0,0,0,0|1,0,0]=3 891 B13R0.1338 CCCCCCCCS(=O)(=O)CCBr MCULE-4095242522 [0,2,0,0,0,0|2,0,0]=4 892 B13R0.1338 CCCCCCCCS(=O)(=O)CCCl MCULE-7749408078 [0,2,0,0,0,0|2,0,0]=4 893 B13R0.1338 CCCCCCCCS(=O)(=O)CCN MCULE-5793394943 [0,2,0,0,0,0|2,0,0]=4 894 B13R0.1338 CCCCCCCCS(=O)(=O)CCO MCULE-8323060532 [0,2,0,0,0,0|2,0,0]=4 895 B13R0.101 COC(=O)C(C)CNCCCN(C)C MCULE-1498114063 [0,2,0,0,0,0|2,0,0]=4 896 B13R0.101 COC(=O)C(N)CCCCNC(=O)C MCULE-6685329240 [0,2,0,0,0,0|1,0,1]=4 897 B13R0.101 COC(=O)C(N)CCCCNC(=O)C MCULE-9146351607 [0,2,0,0,0,0|1,0,1]=4 898 B13R0.101 COC(=O)[C@@H](N)CCCCNC(=O)C MCULE-1952085059 [0,2,0,0,0,0|1,0,1]=4 899 B13R0.101 COC(=O)[C@@H](N)CCCCNC(=O)C MCULE-2631706513 [0,2,0,0,0,0|1,0,1]=4 900 B13R0.101 COC(=O)[C@@H](N)CCCCNC(=O)C MCULE-6706973771 [0,2,0,0,0,0|1,0,1]=4 901 B13R0.101 COC(=O)[C@@H](N)CCCCNC(=O)C MCULE-6778302428 [0,2,0,0,0,0|1,0,1]=4 902 B13R0.250 COC(=O)CCCCC(C)C(=O)OC MCULE-6936366786 [0,2,0,0,0,0|1,0,1]=4 903 B13R0.61 CCCCCCCCC(CC)C(=O)O MCULE-6163755618 [0,2,0,0,0,0|1,0,1]=4 904 B13R0.163 COC(=O)CCCCCC(OC)OC MCULE-5450155630 [0,2,0,0,0,0|1,0,0]=3 905 B13R0.412 CCCCCCCCCC(C=O)CC MCULE-6879865212 [0,2,0,0,0,0|1,0,1]=4 906 B13R0.412 CCCCCCCCCC(OC)OC MCULE-5319229815 [0,2,0,0,0,0|0,0,2]=4 907 B13R0.1339 CCCCCCCC[Si](C)(OC)OC MCULE-1056818417 [0,2,0,0,0,0|0,1,1]=4 908 B13R0.71 COC(=O)CC(C)NCCCN(C)C MCULE-7082643710 [0,2,0,0,0,0|2,0,0]=4 909 B13R0.274 CCCCCCCC(O)CC(=O)OC MCULE-2537921032 [0,2,0,0,0,0|0,0,0]=2 910 B13R0.274 CCCCCCC[C@@H](O)CC(=O)OC MCULE-4586199421 [0,2,0,0,0,0|0,0,0]=2 911 B13R0.274 CCCCCCC[C@@H](O)CC(=O)OC MCULE-7045432024 [0,2,0,0,0,0|0,0,0]=2 912 B13R0.274 CCCCCCNC(C)CC(=O)OC MCULE-2373355014 [0,2,0,0,0,0|0,0,0]=2 913 B13R0.274 CCOCCCNC(C)CC(=O)OC MCULE-4407072193 [0,2,0,0,0,0|1,0,0]=3 914 B13R0.284 CCCCCCC(C)OC(=O)C(C)Cl MCULE-3723026204 [0,2,0,0,0,0|2,0,0]=4 915 B13R0.961 COC(=O)CCC(N)CCC(=O)OC MCULE-1707097755 [0,2,0,0,0,0|1,0,1]=4 916 B13R0.961 COC(=O)CCC(N)CCC(=O)OC MCULE-3944511708 [0,2,0,0,0,0|1,0,1]=4 917 B13R0.1170 CCCCCCC(O)CCC(=O)OC MCULE-3812992050 [0,2,0,0,0,0|0,0,0]=2 918 B13R0.1170 CCCCOCC(O)CCC(=O)NN MCULE-1917715882 [0,2,0,0,0,0|2,0,0]=4 919 B13R0.180 C=C(C)C(=O)OCCCCCC(C)C MCULE-1764479927 [0,2,0,0,0,0|2,0,0]=4 920 B13R0.201 CCC(C)CCCCCCC(=O)OC MCULE-5985049144 [0,2,0,0,0,0|0,0,0]=2 921 B13R0.201 COC(=N)CCCCCCC(=N)OC MCULE-8037923379 [0,2,0,0,0,0|1,0,1]=4 922 B13R0.201 COC(=N)CCCCCCC(=N)OC MCULE-8140298654 [0,2,0,0,0,0|1,0,1]=4 923 B13R0.201 COC(=N)CCCCCCC(=N)OC MCULE-8606729565 [0,2,0,0,0,0|1,0,1]=4 924 B13R0.201 COC(=O)CCCCCCC(=O)OC MCULE-3000822003 [0,2,0,0,0,0|0,0,1]=3 925 B13R0.201 COC(=O)CCCCCNC(=O)CI MCULE-3091263102 [0,2,0,0,0,0|1,0,1]=4 926 B13R0.147 C#CCCCCCCCCC(=O)NO MCULE-1776052395 [0,2,0,0,0,0|2,0,0]=4 927 B13R0.147 C#CCCCCCCCCC(=O)OC MCULE-3643245325 [0,2,0,0,0,0|0,0,0]=2 928 B13R0.147 C=CC(=O)OCCCCCCCCC MCULE-7661811427 [0,2,0,0,0,0|1,0,1]=4 929 B13R0.147 C=CCCCCCCCCC(=O)NN MCULE-1975489838 [0,2,0,0,0,0|2,0,0]=4 930 B13R0.147 C=CCCCCCCCCC(=O)NO MCULE-4384177401 [0,2,0,0,0,0|2,0,0]=4 931 B13R0.147 C=CCCCCCCCCC(=O)OC MCULE-5551120975 [0,2,0,0,0,0|0,0,0]=2 932 B13R0.147 CCCCCCC/C=C/CC(=O)CC MCULE-1079348180 [0,2,0,0,0,0|1,0,0]=3 933 B13R0.147 CCCCCCCCC#CC(=O)OC MCULE-6573014150 [0,2,0,0,0,0|0,0,0]=2 934 B13R0.147 CCCCCCCCCCC(=O)NN MCULE-5566881162 [0,2,0,0,0,0|2,0,0]=4 935 B13R0.147 CCCCCCCCCCC(=O)OC MCULE-4524637821 [0,2,0,0,0,0|0,0,0]=2 936 B13R0.147 CCCCCCCCCNC(=O)CCl MCULE-5058546046 [0,2,0,0,0,0|2,0,0]=4 937 B13R0.147 CCCCCCCNCCC(=O)NC MCULE-6698644143 [0,2,0,0,0,0|1,0,0]=3 938 B13R0.147 CCCCCCCNCCC(=O)NN MCULE-6182063140 [0,2,0,0,0,0|2,0,0]=4 939 B13R0.147 CCCCCCCNCCC(=O)OC MCULE-4012206227 [0,2,0,0,0,0|0,0,0]=2 940 B13R0.147 COC(=O)CCCCCCCCC=O MCULE-9755822433 [0,2,0,0,0,0|0,0,0]=2 941 B13R0.147 COC(=O)CCCCCCCCCBr MCULE-4125973468 [0,2,0,0,0,0|0,0,0]=2 942 B13R0.147 COC(=O)CCCCCCCCCN MCULE-2996113147 [0,2,0,0,0,0|0,0,0]=2 943 B13R0.147 COC(=O)CCCCCCCCCN MCULE-5692626711 [0,2,0,0,0,0|0,0,0]=2 944 B13R0.147 COC(=O)CCCCCCCCCO MCULE-2254055588 [0,2,0,0,0,0|0,0,0]=2 945 B13R0.147 NCCCCCCCCNC(=O)CBr MCULE-3488452736 [0,2,0,0,0,0|2,0,0]=4 946 B13R0.150 C=C(C)C(=O)OCCCCCCCC MCULE-8155490272 [0,2,0,0,0,0|1,0,0]=3 947 B13R0.150 CCCCCCCCCC(=O)N(C)C MCULE-9601486105 [0,2,0,0,0,0|1,0,0]=3 948 B13R0.150 CCCCCCCCOC(=O)C(C)C MCULE-6611613310 [0,2,0,0,0,0|1,0,0]=3 949 B13R0.150 CN(C)C(=O)CCCCCCCCN MCULE-8937163414 [0,2,0,0,0,0|1,0,0]=3 950 B13R0.150 CN(C)C(=O)CCCCCCCCN MCULE-9086226591 [0,2,0,0,0,0|1,0,0]=3 951 B13R0.202 C=CC(=O)OCCCCCCC(C)C MCULE-2697557607 [0,2,0,0,0,0|1,0,1]=4 952 B13R0.202 COC(=O)CCCCCCCC(=O)O MCULE-2825137842 [0,2,0,0,0,0|0,0,1]=3 953 B13R0.202 COC(=O)CCCCCCCC(C)C MCULE-3325371997 [0,2,0,0,0,0|0,0,0]=2 954 B13R0.1215 CCS(=O)(=O)CCCCCCCCO MCULE-3495101460 [0,2,0,0,0,0|2,0,0]=4 955 B13R0.57 CCCCCCCCC(=O)[Si](C)(C)C MCULE-3481492080 [0,2,0,0,0,0|1,0,0]=3 956 B11R1.24 CCCCC1=CC(=O)CCC1 MCULE-9500356684 [1,0,0,1,0,0|0,0,2]=4 957 B11R1.24 CCCCC1CC(=O)CCN1 MCULE-2065402619 [1,0,0,1,0,0|1,0,0]=3 958 B11R1.24 CCCCC1CC(=O)CCN1 MCULE-4896789576 [1,0,0,1,0,0|1,0,0]=3 959 B11R1.24 CCCCC1CCCC(=O)O1 MCULE-5855223168 [1,0,0,1,0,0|0,0,0]=2 960 B11R1.27 CCCCCC1C=CC(=O)O1 MCULE-7215901584 [1,0,0,1,0,0|0,0,2]=4 961 B11R1.27 CCCCCC1CCC(=O)O1 MCULE-8658118167 [1,0,0,1,0,0|0,0,0]=2 962 B11R1.27 CCCCC[C@H]1CCC(=O)O1 MCULE-5773106371 [1,0,0,1,0,0|0,0,0]=2 963 B11R1.27 O=C1CCC(O1)CCCCCl MCULE-9831879802 [1,0,0,1,0,0|1,0,0]=3 964 B11R1.53 CC(=O)N1CCCCC1CN MCULE-8318370610 [1,0,0,1,0,0|2,0,0]=4 965 B11R1.53 CC(=O)N1CCCCC1CO MCULE-4895074095 [1,0,0,1,0,0|2,0,0]=4 966 B11R1.53 CCC1CCCCC1C(=O)O MCULE-7668550184 [1,0,0,1,0,0|0,0,0]=2 967 B11R1.53 CCN1CCCCC1C(=O)O MCULE-4498923070 [1,0,0,1,0,0|1,0,0]=3 968 B11R1.53 CCN1CCCCC1C(=O)O MCULE-7899898030 [1,0,0,1,0,0|1,0,0]=3 969 B11R1.53 CCN1CCOCC1C(=O)O MCULE-5700522196 [1,0,0,1,0,0|2,0,0]=4 970 B11R1.53 COC1CCCCC1C(=O)O MCULE-6019948868 [1,0,0,1,0,0|1,0,0]=3 971 B11R1.53 NC(=O)[C@H]1CCCC[C@@H]1CO MCULE-2660751861 [1,0,0,1,0,0|2,0,0]=4 972 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O MCULE-1165595049 [1,0,0,1,0,0|1,0,0]=3 973 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O MCULE-4991619146 [1,0,0,1,0,0|1,0,0]=3 974 B11R1.57 C=CC1CCCC1CC(=O)O MCULE-4540266032 [1,0,0,1,0,0|0,0,2]=4 975 B11R1.57 O=C(O)CN1CCCC1CBr MCULE-5679582185 [1,0,0,1,0,0|2,0,0]=4 976 B11R1.57 O=C(O)CN1CCCC1CCl MCULE-2614095966 [1,0,0,1,0,0|2,0,0]=4 977 B11R1.57 O=C(O)CN1CCCC1CI MCULE-2547746402 [1,0,0,1,0,0|2,0,0]=4 978 B11R1.57 O=C(O)CN1CCCC1CO MCULE-9577753530 [1,0,0,1,0,0|2,0,0]=4 979 B11R1.57 O=C(O)CN1CCC[C@H]1CO MCULE-1472111718 [1,0,0,1,0,0|2,0,0]=4 980 B11R1.86 CC(=O)CC1CCCCC1=O MCULE-3575915774 [1,0,0,1,0,0|1,0,1]=4 981 B11R1.86 CC(=O)CC1CCCCN1C MCULE-7888596089 [1,0,0,1,0,0|1,0,0]=3 982 B11R1.86 CC(=O)CN1CCCCC1C MCULE-6918556290 [1,0,0,1,0,0|1,0,0]=3 983 B11R1.86 CC(=O)C[C@H]1CCCCN1C MCULE-2452733660 [1,0,0,1,0,0|1,0,0]=3 984 B11R1.86 CC(=O)NC1CCCCC1Br MCULE-4216605693 [1,0,0,1,0,0|2,0,0]=4 985 B11R1.86 CC(=O)NC1CCCCC1Cl MCULE-7255544865 [1,0,0,1,0,0|2,0,0]=4 986 B11R1.86 CC(=O)NC1CCCCC1N MCULE-7889648713 [1,0,0,1,0,0|2,0,0]=4 987 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1Cl MCULE-5801087784 [1,0,0,1,0,0|2,0,0]=4 988 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1N MCULE-8588938231 [1,0,0,1,0,0|2,0,0]=4 989 B11R1.86 CC(=O)N[C@H]1CCCC[C@H]1Cl MCULE-8672156380 [1,0,0,1,0,0|2,0,0]=4 990 B11R1.86 CC(=O)OC1CCCCC1C MCULE-6335382849 [1,0,0,1,0,0|1,0,0]=3 991 B11R1.86 CC1CCCCC1CC(=O)N MCULE-3919731608 [1,0,0,1,0,0|1,0,0]=3 992 B11R1.86 CC1CCCCC1CC(=O)O MCULE-8512937446 [1,0,0,1,0,0|0,0,0]=2 993 B11R1.86 CC1CCCCC1NC(=O)N MCULE-8304088077 [1,0,0,1,0,0|2,0,0]=4 994 B11R1.86 CC1CCCCN1CC(=O)N MCULE-2830131206 [1,0,0,1,0,0|2,0,0]=4 995 B11R1.86 CC1CCCCN1CC(=O)O MCULE-6978091572 [1,0,0,1,0,0|1,0,0]=3 996 B11R1.86 CC1CCCCN1CC(=O)O MCULE-8958981548 [1,0,0,1,0,0|1,0,0]=3 997 B11R1.86 CC1CCNCC1CC(=O)O MCULE-2573262395 [1,0,0,1,0,0|1,0,0]=3 998 B11R1.86 CC1CCNCC1CC(=O)O MCULE-6926994477 [1,0,0,1,0,0|1,0,0]=3 999 B11R1.86 CC1CNCCC1CC(=O)O MCULE-7212738787 [1,0,0,1,0,0|1,0,0]=3 1000 B11R1.86 CC1CNCCN1CC(=O)O MCULE-5720133491 [1,0,0,1,0,0|2,0,0]=4 1001 B11R1.86 CC1CNCCN1CC(=O)O MCULE-8861054343 [1,0,0,1,0,0|2,0,0]=4 1002 B11R1.86 CN1CCCCC1CC(=O)O MCULE-3316980419 [1,0,0,1,0,0|1,0,0]=3 1003 B11R1.86 CN1CCCCC1CC(=O)O MCULE-8860551772 [1,0,0,1,0,0|1,0,0]=3 1004 B11R1.86 C[C@H]1CNCCN1CC(=O)O MCULE-1627398404 [1,0,0,1,0,0|2,0,0]=4 1005 B11R1.86 C[C@H]1CNCCN1CC(=O)O MCULE-6677242580 [1,0,0,1,0,0|2,0,0]=4 1006 B11R1.86 NC1CCOCC1CC(=O)O MCULE-4690300395 [1,0,0,1,0,0|2,0,0]=4 1007 B11R1.86 O=C(O)CC1CCCCC1=O MCULE-2872066455 [1,0,0,1,0,0|1,0,1]=4 1008 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1O MCULE-4350134748 [1,0,0,1,0,0|1,0,0]=3 1009 B11R1.86 O=C(O)C[C@H]1CCCC[C@@H]1O MCULE-6436496571 [1,0,0,1,0,0|1,0,0]=3 1010 B11R1.90 CN1CCCC1CCC(=O)O MCULE-2208326711 [1,0,0,1,0,0|1,0,0]=3 1011 B11R1.90 CN1CCCC1CCC(=O)O MCULE-5781640008 [1,0,0,1,0,0|1,0,0]=3 1012 B11R1.91 CC(=O)CCC1CCCCC1 MCULE-1125647515 [1,0,0,1,0,0|0,0,0]=2 1013 B11R1.91 CC(=O)CCN1CCCCC1 MCULE-4455809617 [1,0,0,1,0,0|1,0,0]=3 1014 B11R1.91 CC(=O)CCN1CCCCC1 MCULE-7961876637 [1,0,0,1,0,0|1,0,0]=3 1015 B11R1.91 CC(=O)CCN1CCNCC1 MCULE-2822686097 [1,0,0,1,0,0|2,0,0]=4 1016 B11R1.91 CC(=O)CCN1CCNCC1 MCULE-4333462634 [1,0,0,1,0,0|2,0,0]=4 1017 B11R1.91 CC(=O)CCN1CCOCC1 MCULE-7551262567 [1,0,0,1,0,0|2,0,0]=4 1018 B11R1.91 CC(=O)NCC1CCCCN1 MCULE-3105845304 [1,0,0,1,0,0|2,0,0]=4 1019 B11R1.91 CC(=O)NCC1CCCCN1 MCULE-9646759433 [1,0,0,1,0,0|2,0,0]=4 1020 B11R1.91 CC(=O)NCC1CCCNC1 MCULE-2486103137 [1,0,0,1,0,0|2,0,0]=4 1021 B11R1.91 CC(=O)NCC1CCNCC1 MCULE-1534192859 [1,0,0,1,0,0|2,0,0]=4 1022 B11R1.91 CC(=O)NCC1CCNCC1 MCULE-3811620113 [1,0,0,1,0,0|2,0,0]=4 1023 B11R1.91 CC(=O)NCC1CCNCC1 MCULE-4719188960 [1,0,0,1,0,0|2,0,0]=4 1024 B11R1.91 CC(=O)OCC1CCCCC1 MCULE-4442955915 [1,0,0,1,0,0|1,0,0]=3 1025 B11R1.91 CC(=O)OCC1CCCCO1 MCULE-2769100863 [1,0,0,1,0,0|2,0,0]=4 1026 B11R1.91 CC(=O)OCC1CCCNC1 MCULE-3753425352 [1,0,0,1,0,0|2,0,0]=4 1027 B11R1.91 CC(=O)OCC1CCCNC1 MCULE-8547366652 [1,0,0,1,0,0|2,0,0]=4 1028 B11R1.91 CC(=O)OCC1CCNCC1 MCULE-2805518931 [1,0,0,1,0,0|2,0,0]=4 1029 B11R1.91 CC(=O)OCC1CCNCC1 MCULE-5312831696 [1,0,0,1,0,0|2,0,0]=4 1030 B11R1.91 CC(N)CCC1CCCCC1 MCULE-1575737383 [1,0,0,1,0,0|1,0,1]=4 1031 B11R1.91 CC(O)CCC1CCCCC1 MCULE-3809271591 [1,0,0,1,0,0|0,0,2]=4 1032 B11R1.91 NC(=O)CCC1CCCCC1 MCULE-7177254920 [1,0,0,1,0,0|1,0,0]=3 1033 B11R1.91 NC(=O)CCC1CCCNC1 MCULE-2731987615 [1,0,0,1,0,0|2,0,0]=4 1034 B11R1.91 NC(=O)CCC1CCCNC1 MCULE-3357409507 [1,0,0,1,0,0|2,0,0]=4 1035 B11R1.91 NC(=O)CCC1CCNCC1 MCULE-2541342686 [1,0,0,1,0,0|2,0,0]=4 1036 B11R1.91 NC(=O)CCC1CCNCC1 MCULE-7868367948 [1,0,0,1,0,0|2,0,0]=4 1037 B11R1.91 NC(=O)COC1CCCCC1 MCULE-3634561714 [1,0,0,1,0,0|2,0,0]=4 1038 B11R1.91 NC(=O)CSC1CCCCC1 MCULE-9968891969 [1,0,0,1,0,0|2,0,0]=4 1039 B11R1.91 NC(=O)NCC1CCCCC1 MCULE-8898827465 [1,0,0,1,0,0|2,0,0]=4 1040 B11R1.91 O=C(Cl)CCC1CCCCC1 MCULE-7905035887 [1,0,0,1,0,0|1,0,0]=3 1041 B11R1.91 O=C(Cl)OCC1CCCCC1 MCULE-5198631423 [1,0,0,1,0,0|2,0,0]=4 1042 B11R1.91 O=C(O)/C=C/C1CCCCC1 MCULE-3408838682 [1,0,0,1,0,0|0,0,2]=4 1043 B11R1.91 O=C(O)C#CC1CCCCC1 MCULE-5082053122 [1,0,0,1,0,0|0,0,2]=4 1044 B11R1.91 O=C(O)C=CC1CCCCC1 MCULE-4284204201 [1,0,0,1,0,0|0,0,2]=4 1045 B11R1.91 O=C(O)CCC1=CCCCC1 MCULE-1237781222 [1,0,0,1,0,0|0,0,2]=4 1046 B11R1.91 O=C(O)CCC1CCCCC1 MCULE-6857024600 [1,0,0,1,0,0|0,0,0]=2 1047 B11R1.91 O=C(O)CCC1CCCCN1 MCULE-9745963762 [1,0,0,1,0,0|1,0,0]=3 1048 B11R1.91 O=C(O)CCC1CCCCN1 MCULE-9799515880 [1,0,0,1,0,0|1,0,0]=3 1049 B11R1.91 O=C(O)CCC1CCCCO1 MCULE-7131400209 [1,0,0,1,0,0|1,0,0]=3 1050 B11R1.91 O=C(O)CCC1CCCNC1 MCULE-7924528861 [1,0,0,1,0,0|1,0,0]=3 1051 B11R1.91 O=C(O)CCC1CCCNC1 MCULE-8138582183 [1,0,0,1,0,0|1,0,0]=3 1052 B11R1.91 O=C(O)CCC1CCCOC1 MCULE-2925847386 [1,0,0,1,0,0|1,0,0]=3 1053 B11R1.91 O=C(O)CCC1CCNCC1 MCULE-2827451677 [1,0,0,1,0,0|1,0,0]=3 1054 B11R1.91 O=C(O)CCC1CCNCC1 MCULE-4045148324 [1,0,0,1,0,0|1,0,0]=3 1055 B11R1.91 O=C(O)CCC1CCOCC1 MCULE-6529848078 [1,0,0,1,0,0|1,0,0]=3 1056 B11R1.91 O=C(O)CCC1CNCCN1 MCULE-1513049995 [1,0,0,1,0,0|2,0,0]=4 1057 B11R1.91 O=C(O)CCC1CNCCN1 MCULE-4856628745 [1,0,0,1,0,0|2,0,0]=4 1058 B11R1.91 O=C(O)CCC1CNCCN1 MCULE-8947965996 [1,0,0,1,0,0|2,0,0]=4 1059 B11R1.91 O=C(O)CCC1CNCCO1 MCULE-4290804660 [1,0,0,1,0,0|2,0,0]=4 1060 B11R1.91 O=C(O)CCC1CNCCO1 MCULE-8003417383 [1,0,0,1,0,0|2,0,0]=4 1061 B11R1.91 O=C(O)CCC1COCCN1 MCULE-2173241934 [1,0,0,1,0,0|2,0,0]=4 1062 B11R1.91 O=C(O)CCC1COCCN1 MCULE-4800776369 [1,0,0,1,0,0|2,0,0]=4 1063 B11R1.91 O=C(O)CCC1COCCO1 MCULE-8260042590 [1,0,0,1,0,0|2,0,0]=4 1064 B11R1.91 O=C(O)CCC1OCCCO1 MCULE-5410285503 [1,0,0,1,0,0|2,0,0]=4 1065 B11R1.91 O=C(O)CCN1CCCCC1 MCULE-4134014685 [1,0,0,1,0,0|1,0,0]=3 1066 B11R1.91 O=C(O)CCN1CCCCC1 MCULE-8800912377 [1,0,0,1,0,0|1,0,0]=3 1067 B11R1.91 O=C(O)CCN1CCCCO1 MCULE-2996089701 [1,0,0,1,0,0|2,0,0]=4 1068 B11R1.91 O=C(O)CCN1CCCCO1 MCULE-3766668240 [1,0,0,1,0,0|2,0,0]=4 1069 B11R1.91 O=C(O)CCN1CCNCC1 MCULE-2278927702 [1,0,0,1,0,0|2,0,0]=4 1070 B11R1.91 O=C(O)CCN1CCNCC1 MCULE-7245019533 [1,0,0,1,0,0|2,0,0]=4 1071 B11R1.91 O=C(O)CCN1CCOCC1 MCULE-1023466735 [1,0,0,1,0,0|2,0,0]=4 1072 B11R1.91 O=C(O)CCN1CCOCC1 MCULE-7724278716 [1,0,0,1,0,0|2,0,0]=4 1073 B11R1.91 O=C(O)CCN1CCOCC1 MCULE-8465184362 [1,0,0,1,0,0|2,0,0]=4 1074 B11R1.91 O=C(O)CCN1CCSCC1 MCULE-5978659919 [1,0,0,1,0,0|2,0,0]=4 1075 B11R1.91 O=C(O)CCN1CCSCC1 MCULE-8911727730 [1,0,0,1,0,0|2,0,0]=4 1076 B11R1.91 O=C(O)CC[C@@H]1CNCCO1 MCULE-1561801705 [1,0,0,1,0,0|2,0,0]=4 1077 B11R1.91 O=C(O)CC[C@@H]1CNCCO1 MCULE-1829190625 [1,0,0,1,0,0|2,0,0]=4 1078 B11R1.91 O=C(O)CC[C@H]1CNCCO1 MCULE-4904929048 [1,0,0,1,0,0|2,0,0]=4 1079 B11R1.91 O=C(O)CC[C@H]1CNCCO1 MCULE-9655711335 [1,0,0,1,0,0|2,0,0]=4 1080 B11R1.91 O=C(O)CNC1CCCCC1 MCULE-5220210342 [1,0,0,1,0,0|1,0,0]=3 1081 B11R1.91 O=C(O)CNC1CCCCC1 MCULE-9313520636 [1,0,0,1,0,0|1,0,0]=3 1082 B11R1.91 O=C(O)CNC1CCOCC1 MCULE-7657301692 [1,0,0,1,0,0|2,0,0]=4 1083 B11R1.91 O=C(O)COC1CCCCC1 MCULE-9015047559 [1,0,0,1,0,0|1,0,0]=3 1084 B11R1.91 O=C(O)COC1CCCOC1 MCULE-6982251312 [1,0,0,1,0,0|2,0,0]=4 1085 B11R1.91 O=C(O)COC1CCNCC1 MCULE-8120083070 [1,0,0,1,0,0|2,0,0]=4 1086 B11R1.91 O=C(O)COC1CCNCC1 MCULE-9462178764 [1,0,0,1,0,0|2,0,0]=4 1087 B11R1.91 O=C(O)COC1CCOCC1 MCULE-2803382098 [1,0,0,1,0,0|2,0,0]=4 1088 B11R1.91 O=C(O)CSC1CCCCC1 MCULE-2242180425 [1,0,0,1,0,0|1,0,0]=3 1089 B11R1.91 O=C(O)CSC1CCCCO1 MCULE-8580492168 [1,0,0,1,0,0|2,0,0]=4 1090 B11R1.91 O=N(=O)CCC1CCCCC1 MCULE-2759348903 [1,0,0,1,0,0|1,0,1]=4 1091 B11R1.91 OB(O)CCC1CCCCC1 MCULE-6802710012 [1,0,0,1,0,0|1,0,1]=4 1092 B11R1.99 CCCCCCCCC1CO1 MCULE-5254067206 [1,0,0,1,0,0|0,0,2]=4 1093 B11R1.99 CCCCCCCC[C@@H]1CO1 MCULE-1956936475 [1,0,0,1,0,0|0,0,2]=4 1094 B11R1.101 NC1CCCCCCCCC1 MCULE-7140828852 [1,0,0,1,0,0|1,0,1]=4 1095 B11R1.101 NC1CCCCCCCCC1 MCULE-9762725860 [1,0,0,1,0,0|1,0,1]=4 1096 B11R1.101 O=C1CCCCCCCCC1 MCULE-7431354983 [1,0,0,1,0,0|0,0,0]=2 1097 B11R1.101 O=C1CCCCCCCCN1 MCULE-4805310836 [1,0,0,1,0,0|1,0,0]=3 1098 B11R1.101 O=C1CCNCCCCCN1 MCULE-1892904766 [1,0,0,1,0,0|2,0,0]=4 1099 B11R1.107 O=C1CCCCCCC(=O)O1 MCULE-6826256328 [1,0,0,1,0,0|1,0,1]=4 1100 B11R1.110 NCCC1CCCCC(=O)N1 MCULE-2147581863 [1,0,0,1,0,0|2,0,0]=4 1101 B11R1.110 NCCC1CCCCC(=O)N1 MCULE-8292359667 [1,0,0,1,0,0|2,0,0]=4 1102 B11R1.143 CN1CCCCCC1C(=O)O MCULE-2653542021 [1,0,0,1,0,0|1,0,0]=3 1103 B11R1.143 CN1CCCCCC1C(=O)O MCULE-3417099605 [1,0,0,1,0,0|1,0,0]=3 1104 B11R1.143 NC1CCCCCC1C(=O)O MCULE-8944650297 [1,0,0,1,0,0|1,0,0]=3 1105 B11R1.143 NC1CCCCCC1C(=O)O MCULE-9787960494 [1,0,0,1,0,0|1,0,0]=3 1106 B11R1.172 NC(=O)CCNC1CCCC1 MCULE-2584575010 [1,0,0,1,0,0|2,0,0]=4 1107 B11R1.172 O=C(O)CCCC1CCCC1 MCULE-5735094397 [1,0,0,1,0,0|0,0,0]=2 1108 B11R1.172 O=C(O)CCCC1CCSS1 MCULE-1919221477 [1,0,0,1,0,0|2,0,0]=4 1109 B11R1.172 O=C(O)CCCN1CCCC1 MCULE-7995654522 [1,0,0,1,0,0|1,0,0]=3 1110 B11R1.172 O=C(O)CCCN1CCCC1 MCULE-9746290578 [1,0,0,1,0,0|1,0,0]=3 1111 B11R1.172 O=C(O)CCNC1CCCC1 MCULE-1657479625 [1,0,0,1,0,0|1,0,0]=3 1112 B11R1.172 O=C(O)CCNC1CCCC1 MCULE-3083688470 [1,0,0,1,0,0|1,0,0]=3 1113 B11R1.172 O=C(O)CCSC1CCCC1 MCULE-1998655965 [1,0,0,1,0,0|1,0,0]=3 1114 B11R1.172 O=C(O)COCC1CCCC1 MCULE-5915220179 [1,0,0,1,0,0|1,0,0]=3 1115 B11R1.172 O=C(O)COCC1CCCN1 MCULE-4455185085 [1,0,0,1,0,0|2,0,0]=4 1116 B11R1.172 O=C(O)COCC1CCCN1 MCULE-9900773670 [1,0,0,1,0,0|2,0,0]=4 1117 B11R1.172 O=C(O)COCC1CCCO1 MCULE-6503346834 [1,0,0,1,0,0|2,0,0]=4 1118 B11R1.172 O=C(O)COCC1CCOC1 MCULE-8544806817 [1,0,0,1,0,0|2,0,0]=4 1119 B11R1.172 O=C(O)CSCC1CCCO1 MCULE-5372517414 [1,0,0,1,0,0|2,0,0]=4 1120 B11R1.193 CCCC1CCCC1C(=O)O MCULE-1492543766 [1,0,0,1,0,0|0,0,0]=2 1121 B11R1.193 CCCC1CCNC1C(=O)O MCULE-3288508053 [1,0,0,1,0,0|1,0,0]=3 1122 B11R1.193 CCCC1CCNC1C(=O)O MCULE-8057933085 [1,0,0,1,0,0|1,0,0]=3 1123 B11R1.193 CCCN1CCCC1C(=O)O MCULE-8751998851 [1,0,0,1,0,0|1,0,0]=3 1124 B11R1.193 CCCN1CCC[C@H]1C(=O)O MCULE-2240941812 [1,0,0,1,0,0|1,0,0]=3 1125 B11R1.193 CCCN1CCC[C@H]1C(=O)O MCULE-4921696951 [1,0,0,1,0,0|1,0,0]=3 1126 B11R1.193 CNCC1CCCN1C(=O)C MCULE-3584683470 [1,0,0,1,0,0|2,0,0]=4 1127 B11R1.193 CNC[C@@H]1CCCN1C(=O)C MCULE-2334999714 [1,0,0,1,0,0|2,0,0]=4 1128 B11R1.193 O=C(O)C1CNCC1CCO MCULE-3831742896 [1,0,0,1,0,0|2,0,0]=4 1129 B11R1.271 CC(=O)OCC1CCC1CO MCULE-3822015939 [1,0,0,1,0,0|2,0,0]=4 1130 B11R1.271 CC(=O)OC[C@@H]1CC[C@@H]1CO MCULE-5099941328 [1,0,0,1,0,0|2,0,0]=4 1131 B11R1.271 CC(=O)OC[C@@H]1CC[C@H]1CO MCULE-3952027442 [1,0,0,1,0,0|2,0,0]=4 1132 B11R1.271 CC(=O)OC[C@@H]1CC[C@H]1CO MCULE-7127600773 [1,0,0,1,0,0|2,0,0]=4 1133 B11R1.271 CC(=O)OC[C@H]1CC[C@H]1CO MCULE-1827946489 [1,0,0,1,0,0|2,0,0]=4 1134 B11R1.706 CC(=O)C1CCCCCCC1 MCULE-7453374150 [1,0,0,1,0,0|0,0,0]=2 1135 B11R1.706 O=C(O)C1CCC=CCCC1 MCULE-1202438669 [1,0,0,1,0,0|0,0,2]=4 1136 B11R1.706 O=C(O)C1CCCCCCC1 MCULE-7220278799 [1,0,0,1,0,0|0,0,0]=2 1137 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2852082428 [1,0,0,1,0,0|1,0,0]=3 1138 B11R1.706 O=C(O)C1CCCCCCN1 MCULE-2931630393 [1,0,0,1,0,0|1,0,0]=3 1139 B11R1.742 C=C(C)CC1CCCCCC1 MCULE-6590200380 [1,0,0,1,0,0|1,0,0]=3 1140 B11R1.742 CC(=O)CC1CCCCCN1 MCULE-2355996760 [1,0,0,1,0,0|1,0,0]=3 1141 B11R1.742 CC(=O)CN1CCCCCC1 MCULE-5319693118 [1,0,0,1,0,0|1,0,0]=3 1142 B11R1.742 CC(=O)CN1CCCCCC1 MCULE-8763178253 [1,0,0,1,0,0|1,0,0]=3 1143 B11R1.742 CC(=O)NC1CCCCCC1 MCULE-3697459369 [1,0,0,1,0,0|1,0,0]=3 1144 B11R1.742 NC(=O)CN1CCCCCC1 MCULE-5945622165 [1,0,0,1,0,0|2,0,0]=4 1145 B11R1.742 NC(=O)NC1CCCCCC1 MCULE-7737326688 [1,0,0,1,0,0|2,0,0]=4 1146 B11R1.742 O=C(O)C=C1CCCCCC1 MCULE-5228387881 [1,0,0,1,0,0|0,0,2]=4 1147 B11R1.742 O=C(O)CC1CCC=CCC1 MCULE-8122130448 [1,0,0,1,0,0|0,0,2]=4 1148 B11R1.742 O=C(O)CC1CCCCCC1 MCULE-3247091796 [1,0,0,1,0,0|0,0,0]=2 1149 B11R1.742 O=C(O)CC1CCCNCC1 MCULE-1259156999 [1,0,0,1,0,0|1,0,0]=3 1150 B11R1.742 O=C(O)CC1CCCNCC1 MCULE-8862658650 [1,0,0,1,0,0|1,0,0]=3 1151 B11R1.742 O=C(O)CC1CCCOCC1 MCULE-7663320476 [1,0,0,1,0,0|1,0,0]=3 1152 B11R1.742 O=C(O)CN1CCCCCC1 MCULE-1178025352 [1,0,0,1,0,0|1,0,0]=3 1153 B11R1.742 O=C(O)CN1CCCCCC1 MCULE-1252489424 [1,0,0,1,0,0|1,0,0]=3 1154 B11R1.742 O=C(O)CN1CCCNCC1 MCULE-7410717770 [1,0,0,1,0,0|2,0,0]=4 1155 B11R1.742 O=C(O)CN1CCCNCC1 MCULE-8199207666 [1,0,0,1,0,0|2,0,0]=4 1156 B11R1.17 COCCC1CCCCN1C MCULE-7106681892 [1,0,0,1,0,0|1,0,1]=4 1157 B11R1.26 COC1CCCCCCC1N MCULE-2038984012 [1,0,0,1,0,0|1,0,1]=4 1158 B11R1.28 CCCCCC1CCCCC1 MCULE-8832032133 [1,0,0,1,0,0|1,0,1]=4 1159 B11R1.28 CCNCCC1CCCOC1 MCULE-4579221343 [1,0,0,1,0,0|1,0,1]=4 1160 B11R1.28 CNCCCC1CCCCC1 MCULE-9069202916 [1,0,0,1,0,0|1,0,1]=4 1161 B11R1.28 COCCCC1CCCCN1 MCULE-4074520103 [1,0,0,1,0,0|1,0,1]=4 1162 B11R1.28 COCCCC1CCCNC1 MCULE-7667635288 [1,0,0,1,0,0|1,0,1]=4 1163 B11R1.28 COCCCC1CCNCC1 MCULE-3809566423 [1,0,0,1,0,0|1,0,1]=4 1164 B11R1.28 NN=CCCC1CCCCC1 MCULE-2623797759 [1,0,0,1,0,0|2,0,0]=4 1165 B11R1.28 ON=CCCC1CCCCC1 MCULE-7103143157 [1,0,0,1,0,0|2,0,0]=4 1166 B11R1.41 CCNC1CCCCC1OC MCULE-6579851974 [1,0,0,1,0,0|1,0,1]=4 1167 B11R1.51 CNC1CCCCCC1OC MCULE-2897047131 [1,0,0,1,0,0|1,0,1]=4 1168 B11R1.92 C1CCCCCCCCCC1 MCULE-6783863454 [1,0,0,1,0,0|1,0,1]=4 1169 B11R1.92 C1CCCCCNCCCC1 MCULE-1671621328 [1,0,0,1,0,0|1,0,1]=4 1170 B11R1.117 CNCC1CCCCCCC1 MCULE-3882363434 [1,0,0,1,0,0|1,0,1]=4 1171 B11R1.180 COCCNC1CCCC1C MCULE-4127023609 [1,0,0,1,0,0|1,0,1]=4 1172 B11R1.203 COCCC1CCCCNC1 MCULE-1439171420 [1,0,0,1,0,0|1,0,1]=4 1173 B11R1.1 CCCCC1CCC(=O)CC1 MCULE-3632759144 [1,0,0,1,0,0|1,0,0]=3 1174 B11R1.1 CCCCN1CCC(=O)CC1 MCULE-1439161908 [1,0,0,1,0,0|2,0,0]=4 1175 B11R1.1 CCCOC1CCC(=O)CC1 MCULE-7137663719 [1,0,0,1,0,0|2,0,0]=4 1176 B11R1.25 CNC(=O)CCC1CCCC1 MCULE-3928070553 [1,0,0,1,0,0|1,0,0]=3 1177 B11R1.25 COC(=O)/C=C/C1CCCC1 MCULE-1352596380 [1,0,0,1,0,0|0,0,2]=4 1178 B11R1.25 COC(=O)C=CC1CCCC1 MCULE-8918279747 [1,0,0,1,0,0|0,0,2]=4 1179 B11R1.25 COC(=O)CCC1CCCC1 MCULE-5184172905 [1,0,0,1,0,0|0,0,0]=2 1180 B11R1.25 COC(=O)CCC1CCCO1 MCULE-6365564482 [1,0,0,1,0,0|1,0,0]=3 1181 B11R1.25 COC(=O)CCC1CCNC1 MCULE-2733017217 [1,0,0,1,0,0|1,0,0]=3 1182 B11R1.25 COC(=O)CCC1CCNC1 MCULE-4098395130 [1,0,0,1,0,0|1,0,0]=3 1183 B11R1.25 COC(=O)CCN1CCCC1 MCULE-9621646936 [1,0,0,1,0,0|1,0,0]=3 1184 B11R1.25 COC(=O)CNC1CCCC1 MCULE-1776376918 [1,0,0,1,0,0|1,0,0]=3 1185 B11R1.25 COC(=O)CNC1CCCC1 MCULE-2460300969 [1,0,0,1,0,0|1,0,0]=3 1186 B11R1.25 COC(=O)COC1CCNC1 MCULE-6308232149 [1,0,0,1,0,0|2,0,0]=4 1187 B11R1.25 COC(=O)COC1CCNC1 MCULE-7999300938 [1,0,0,1,0,0|2,0,0]=4 1188 B11R1.25 COC(=O)CO[C@@H]1CCNC1 MCULE-6381563905 [1,0,0,1,0,0|2,0,0]=4 1189 B11R1.25 COC(=O)CO[C@@H]1CCNC1 MCULE-7351317623 [1,0,0,1,0,0|2,0,0]=4 1190 B11R1.25 COC(=O)CO[C@@H]1CCNC1 MCULE-7630320653 [1,0,0,1,0,0|2,0,0]=4 1191 B11R1.25 COC(=O)CO[C@@H]1CCNC1 MCULE-9165010504 [1,0,0,1,0,0|2,0,0]=4 1192 B11R1.25 COC(=O)CO[C@H]1CCNC1 MCULE-4782133215 [1,0,0,1,0,0|2,0,0]=4 1193 B11R1.25 COC(=O)CO[C@H]1CCNC1 MCULE-4960889264 [1,0,0,1,0,0|2,0,0]=4 1194 B11R1.25 NNC(=O)CCC1CCCC1 MCULE-9511177528 [1,0,0,1,0,0|2,0,0]=4 1195 B11R1.25 O=C(CBr)CCC1CCCC1 MCULE-2322494419 [1,0,0,1,0,0|2,0,0]=4 1196 B11R1.25 O=C(CCC1CCCC1)NO MCULE-2256538871 [1,0,0,1,0,0|2,0,0]=4 1197 B11R1.40 CCC(=O)CC1CCCCC1 MCULE-4548371264 [1,0,0,1,0,0|1,0,0]=3 1198 B11R1.40 CCC(=O)NC1CCCCC1 MCULE-3419977107 [1,0,0,1,0,0|2,0,0]=4 1199 B11R1.40 CCC(=O)OC1CCCCC1 MCULE-4878482925 [1,0,0,1,0,0|2,0,0]=4 1200 B11R1.40 CNC(=O)CC1CCCCC1 MCULE-6265234454 [1,0,0,1,0,0|1,0,0]=3 1201 B11R1.40 CNC(=O)CC1CCNCC1 MCULE-3436608285 [1,0,0,1,0,0|2,0,0]=4 1202 B11R1.40 CNC(=O)CC1CCNCC1 MCULE-4635496626 [1,0,0,1,0,0|2,0,0]=4 1203 B11R1.40 CNC(=O)CC1CCOCC1 MCULE-5999973363 [1,0,0,1,0,0|2,0,0]=4 1204 B11R1.40 CNC(=O)NC1CCCCC1 MCULE-1669953265 [1,0,0,1,0,0|2,0,0]=4 1205 B11R1.40 COC(=O)C=C1CCCCC1 MCULE-4895716264 [1,0,0,1,0,0|0,0,2]=4 1206 B11R1.40 COC(=O)CC1CCCCC1 MCULE-4749534991 [1,0,0,1,0,0|0,0,0]=2 1207 B11R1.40 COC(=O)CC1CCCCN1 MCULE-1659624694 [1,0,0,1,0,0|1,0,0]=3 1208 B11R1.40 COC(=O)CC1CCCCN1 MCULE-5592891926 [1,0,0,1,0,0|1,0,0]=3 1209 B11R1.40 COC(=O)CC1CCCNC1 MCULE-2894207855 [1,0,0,1,0,0|1,0,0]=3 1210 B11R1.40 COC(=O)CC1CCCNC1 MCULE-8539590471 [1,0,0,1,0,0|1,0,0]=3 1211 B11R1.40 COC(=O)CC1CCNCC1 MCULE-4818273917 [1,0,0,1,0,0|1,0,0]=3 1212 B11R1.40 COC(=O)CC1CCNCC1 MCULE-6454857791 [1,0,0,1,0,0|1,0,0]=3 1213 B11R1.40 COC(=O)CC1CCOCC1 MCULE-8506370541 [1,0,0,1,0,0|1,0,0]=3 1214 B11R1.40 COC(=O)CC1CCSCC1 MCULE-2405303650 [1,0,0,1,0,0|1,0,0]=3 1215 B11R1.40 COC(=O)CC1CNCCN1 MCULE-3576929850 [1,0,0,1,0,0|2,0,0]=4 1216 B11R1.40 COC(=O)CC1CNCCN1 MCULE-4757525788 [1,0,0,1,0,0|2,0,0]=4 1217 B11R1.40 COC(=O)CC1CNCCN1 MCULE-7203538338 [1,0,0,1,0,0|2,0,0]=4 1218 B11R1.40 COC(=O)CC1CNCCO1 MCULE-1280217934 [1,0,0,1,0,0|2,0,0]=4 1219 B11R1.40 COC(=O)CC1CNCCO1 MCULE-5231998819 [1,0,0,1,0,0|2,0,0]=4 1220 B11R1.40 COC(=O)CC1COCCN1 MCULE-2640687961 [1,0,0,1,0,0|2,0,0]=4 1221 B11R1.40 COC(=O)CC1COCCN1 MCULE-4319243681 [1,0,0,1,0,0|2,0,0]=4 1222 B11R1.40 COC(=O)CC1CSCCN1 MCULE-7040890936 [1,0,0,1,0,0|2,0,0]=4 1223 B11R1.40 COC(=O)CC1CSCCN1 MCULE-8950718671 [1,0,0,1,0,0|2,0,0]=4 1224 B11R1.40 COC(=O)CN1CCNCC1 MCULE-2924920584 [1,0,0,1,0,0|2,0,0]=4 1225 B11R1.40 COC(=O)CN1CCNCC1 MCULE-8392762779 [1,0,0,1,0,0|2,0,0]=4 1226 B11R1.40 COC(=O)CN1CCNCC1 MCULE-9092923320 [1,0,0,1,0,0|2,0,0]=4 1227 B11R1.40 COC(=O)CN1CCOCC1 MCULE-4150127605 [1,0,0,1,0,0|2,0,0]=4 1228 B11R1.40 COC(=O)CN1CCOCC1 MCULE-6948035486 [1,0,0,1,0,0|2,0,0]=4 1229 B11R1.40 COC(=O)C[C@@H]1CCCNC1 MCULE-3033016054 [1,0,0,1,0,0|1,0,0]=3 1230 B11R1.40 COC(=O)C[C@@H]1CCCNC1 MCULE-3350930478 [1,0,0,1,0,0|1,0,0]=3 1231 B11R1.40 COC(=O)C[C@@H]1CCCNC1 MCULE-8139225473 [1,0,0,1,0,0|1,0,0]=3 1232 B11R1.40 COC(=O)C[C@@H]1CCCNC1 MCULE-8627301252 [1,0,0,1,0,0|1,0,0]=3 1233 B11R1.40 COC(=O)C[C@@H]1CNCCN1 MCULE-1821824704 [1,0,0,1,0,0|2,0,0]=4 1234 B11R1.40 COC(=O)C[C@@H]1CNCCN1 MCULE-5290611199 [1,0,0,1,0,0|2,0,0]=4 1235 B11R1.40 COC(=O)C[C@@H]1CNCCO1 MCULE-3437799074 [1,0,0,1,0,0|2,0,0]=4 1236 B11R1.40 COC(=O)C[C@@H]1CNCCO1 MCULE-6671000639 [1,0,0,1,0,0|2,0,0]=4 1237 B11R1.40 COC(=O)C[C@@H]1CNCCO1 MCULE-7270283362 [1,0,0,1,0,0|2,0,0]=4 1238 B11R1.40 COC(=O)C[C@@H]1CNCCO1 MCULE-9537872850 [1,0,0,1,0,0|2,0,0]=4 1239 B11R1.40 COC(=O)C[C@@H]1COCCN1 MCULE-4086074684 [1,0,0,1,0,0|2,0,0]=4 1240 B11R1.40 COC(=O)C[C@@H]1COCCN1 MCULE-7136113319 [1,0,0,1,0,0|2,0,0]=4 1241 B11R1.40 COC(=O)C[C@@H]1COCCN1 MCULE-9153668055 [1,0,0,1,0,0|2,0,0]=4 1242 B11R1.40 COC(=O)C[C@H]1CCCCN1 MCULE-4319190168 [1,0,0,1,0,0|1,0,0]=3 1243 B11R1.40 COC(=O)C[C@H]1CCCCN1 MCULE-9265663838 [1,0,0,1,0,0|1,0,0]=3 1244 B11R1.40 COC(=O)C[C@H]1CCCNC1 MCULE-1720030033 [1,0,0,1,0,0|1,0,0]=3 1245 B11R1.40 COC(=O)C[C@H]1CCCNC1 MCULE-6508778923 [1,0,0,1,0,0|1,0,0]=3 1246 B11R1.40 COC(=O)C[C@H]1CCCNC1 MCULE-8131066241 [1,0,0,1,0,0|1,0,0]=3 1247 B11R1.40 COC(=O)C[C@H]1CCCNC1 MCULE-8434859537 [1,0,0,1,0,0|1,0,0]=3 1248 B11R1.40 COC(=O)C[C@H]1CNCCO1 MCULE-1415029428 [1,0,0,1,0,0|2,0,0]=4 1249 B11R1.40 COC(=O)C[C@H]1CNCCO1 MCULE-9109427537 [1,0,0,1,0,0|2,0,0]=4 1250 B11R1.40 COC(=O)C[C@H]1COCCN1 MCULE-1148901005 [1,0,0,1,0,0|2,0,0]=4 1251 B11R1.40 COC(=O)C[C@H]1COCCN1 MCULE-2621211628 [1,0,0,1,0,0|2,0,0]=4 1252 B11R1.40 COC(=O)C[C@H]1COCCN1 MCULE-6002409554 [1,0,0,1,0,0|2,0,0]=4 1253 B11R1.40 COC(=O)C[C@H]1COCCN1 MCULE-7064464399 [1,0,0,1,0,0|2,0,0]=4 1254 B11R1.40 COC(=O)NC1CCCCC1 MCULE-4935299070 [1,0,0,1,0,0|1,0,0]=3 1255 B11R1.40 COC(=O)NC1CCCNC1 MCULE-9996682353 [1,0,0,1,0,0|2,0,0]=4 1256 B11R1.40 COC(=O)NC1CCNCC1 MCULE-8108415339 [1,0,0,1,0,0|2,0,0]=4 1257 B11R1.40 COC(=O)NC1CCNCC1 MCULE-8590745688 [1,0,0,1,0,0|2,0,0]=4 1258 B11R1.40 CSC(=O)NC1CCCCC1 MCULE-8779554641 [1,0,0,1,0,0|1,1,0]=4 1259 B11R1.40 NCC(=O)CC1CCCCC1 MCULE-4965369909 [1,0,0,1,0,0|2,0,0]=4 1260 B11R1.40 NCC(=O)CC1CCCCC1 MCULE-5949367391 [1,0,0,1,0,0|2,0,0]=4 1261 B11R1.40 NNC(=O)CC1CCCCC1 MCULE-2424968160 [1,0,0,1,0,0|2,0,0]=4 1262 B11R1.59 CCN1CCCC1C(=O)OC MCULE-2111423873 [1,0,0,1,0,0|1,0,0]=3 1263 B11R1.59 COC(=O)C1CCCC1CO MCULE-5803357761 [1,0,0,1,0,0|1,0,0]=3 1264 B11R1.59 COC(=O)N1CCCC1OC MCULE-4556392766 [1,0,0,1,0,0|2,0,0]=4 1265 B11R1.59 COC(=O)[C@@H]1CCC[C@H]1CO MCULE-4195422588 [1,0,0,1,0,0|1,0,0]=3 1266 B11R1.59 COC(=O)[C@H]1CCC[C@@H]1CO MCULE-1028620967 [1,0,0,1,0,0|1,0,0]=3 1267 B11R1.115 COC(=O)C1CCN1CCF MCULE-7320036377 [1,0,0,1,0,0|2,0,0]=4 1268 B11R1.115 COC(=O)C1CCN1CCN MCULE-2174409912 [1,0,0,1,0,0|2,0,0]=4 1269 B11R1.115 COC(=O)C1CCN1CCN MCULE-7045797303 [1,0,0,1,0,0|2,0,0]=4 1270 B11R1.115 COC(=O)[C@@H]1CCN1CCF MCULE-2342277027 [1,0,0,1,0,0|2,0,0]=4 1271 B11R1.115 COC(=O)[C@@H]1CCN1CCF MCULE-8866084398 [1,0,0,1,0,0|2,0,0]=4 1272 B11R1.135 CCCC1CCNC(=O)CC1 MCULE-3101429191 [1,0,0,1,0,0|2,0,0]=4 1273 B11R1.222 CNC(=O)C1CCCCC1N MCULE-4756256881 [1,0,0,1,0,0|2,0,0]=4 1274 B11R1.222 COC(=O)C1CCCCC1=O MCULE-4349966830 [1,0,0,1,0,0|1,0,1]=4 1275 B11R1.222 COC(=O)C1CCCCC1N MCULE-1825299804 [1,0,0,1,0,0|1,0,0]=3 1276 B11R1.222 COC(=O)C1CCCCC1N MCULE-4137070739 [1,0,0,1,0,0|1,0,0]=3 1277 B11R1.222 COC(=O)C1CCCCC1O MCULE-5625433366 [1,0,0,1,0,0|1,0,0]=3 1278 B11R1.222 COC(=O)C1CCCCN1C MCULE-8053559173 [1,0,0,1,0,0|1,0,0]=3 1279 B11R1.222 COC(=O)C1CCCCN1O MCULE-7652880533 [1,0,0,1,0,0|2,0,0]=4 1280 B11R1.222 COC(=O)C1CCCNC1C MCULE-4090993645 [1,0,0,1,0,0|1,0,0]=3 1281 B11R1.222 COC(=O)C1CCCNC1C MCULE-4200305359 [1,0,0,1,0,0|1,0,0]=3 1282 B11R1.222 COC(=O)C1CCNCC1C MCULE-7624789928 [1,0,0,1,0,0|1,0,0]=3 1283 B11R1.222 COC(=O)C1CCNCC1C MCULE-8344260310 [1,0,0,1,0,0|1,0,0]=3 1284 B11R1.222 COC(=O)C1CCNCC1F MCULE-3759747925 [1,0,0,1,0,0|2,0,0]=4 1285 B11R1.222 COC(=O)C1CCNCC1F MCULE-9836086162 [1,0,0,1,0,0|2,0,0]=4 1286 B11R1.222 COC(=O)C1CNCCC1C MCULE-3273710064 [1,0,0,1,0,0|1,0,0]=3 1287 B11R1.222 COC(=O)C1CNCCC1C MCULE-9474733870 [1,0,0,1,0,0|1,0,0]=3 1288 B11R1.222 COC(=O)C1CNCCC1O MCULE-1087796666 [1,0,0,1,0,0|2,0,0]=4 1289 B11R1.222 COC(=O)C1CNCCC1O MCULE-3371223887 [1,0,0,1,0,0|2,0,0]=4 1290 B11R1.222 COC(=O)C1CNCCN1C MCULE-3204660252 [1,0,0,1,0,0|2,0,0]=4 1291 B11R1.222 COC(=O)C1COCCC1N MCULE-1504849706 [1,0,0,1,0,0|2,0,0]=4 1292 B11R1.222 COC(=O)C1COCCN1C MCULE-8282493051 [1,0,0,1,0,0|2,0,0]=4 1293 B11R1.222 COC(=O)C1NCCCC1C MCULE-4240891821 [1,0,0,1,0,0|1,0,0]=3 1294 B11R1.222 COC(=O)C1NCCCC1C MCULE-4887956825 [1,0,0,1,0,0|1,0,0]=3 1295 B11R1.222 COC(=O)C1NCCCC1O MCULE-7175985212 [1,0,0,1,0,0|2,0,0]=4 1296 B11R1.222 COC(=O)C1NCCCC1O MCULE-8696579515 [1,0,0,1,0,0|2,0,0]=4 1297 B11R1.222 COC(=O)C1NCCOC1C MCULE-7481378868 [1,0,0,1,0,0|2,0,0]=4 1298 B11R1.222 COC(=O)C1NCCOC1C MCULE-8115578923 [1,0,0,1,0,0|2,0,0]=4 1299 B11R1.222 COC(=O)N1CCNC[C@@H]1C MCULE-8978482948 [1,0,0,1,0,0|2,0,0]=4 1300 B11R1.222 COC(=O)N1CCNC[C@@H]1C MCULE-9419640595 [1,0,0,1,0,0|2,0,0]=4 1301 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1N MCULE-3760129587 [1,0,0,1,0,0|1,0,0]=3 1302 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1N MCULE-7526276286 [1,0,0,1,0,0|1,0,0]=3 1303 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1O MCULE-2744100865 [1,0,0,1,0,0|1,0,0]=3 1304 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1O MCULE-4997449445 [1,0,0,1,0,0|1,0,0]=3 1305 B11R1.222 COC(=O)[C@@H]1CCCC[C@H]1N MCULE-2322146114 [1,0,0,1,0,0|1,0,0]=3 1306 B11R1.222 COC(=O)[C@@H]1CCCC[C@H]1N MCULE-2671634853 [1,0,0,1,0,0|1,0,0]=3 1307 B11R1.222 COC(=O)[C@@H]1CCCC[C@H]1N MCULE-8874981464 [1,0,0,1,0,0|1,0,0]=3 1308 B11R1.222 COC(=O)[C@@H]1CCCC[C@H]1N MCULE-8895226982 [1,0,0,1,0,0|1,0,0]=3 1309 B11R1.222 COC(=O)[C@@H]1CCCC[C@H]1N MCULE-9015389744 [1,0,0,1,0,0|1,0,0]=3 1310 B11R1.222 COC(=O)[C@@H]1CCCC[C@H]1N MCULE-9606268315 [1,0,0,1,0,0|1,0,0]=3 1311 B11R1.222 COC(=O)[C@@H]1CCCN[C@@H]1C MCULE-4860895329 [1,0,0,1,0,0|1,0,0]=3 1312 B11R1.222 COC(=O)[C@@H]1CCCN[C@@H]1C MCULE-8654537084 [1,0,0,1,0,0|1,0,0]=3 1313 B11R1.222 COC(=O)[C@@H]1CCCN[C@H]1C MCULE-7498048591 [1,0,0,1,0,0|1,0,0]=3 1314 B11R1.222 COC(=O)[C@@H]1CCNC[C@@H]1C MCULE-4676728316 [1,0,0,1,0,0|1,0,0]=3 1315 B11R1.222 COC(=O)[C@@H]1CCNC[C@@H]1C MCULE-4693869526 [1,0,0,1,0,0|1,0,0]=3 1316 B11R1.222 COC(=O)[C@@H]1CCNC[C@@H]1C MCULE-6672831529 [1,0,0,1,0,0|1,0,0]=3 1317 B11R1.222 COC(=O)[C@@H]1CCNC[C@@H]1C MCULE-8735606409 [1,0,0,1,0,0|1,0,0]=3 1318 B11R1.222 COC(=O)[C@@H]1CNCC[C@@H]1C MCULE-4956578565 [1,0,0,1,0,0|1,0,0]=3 1319 B11R1.222 COC(=O)[C@@H]1CNCC[C@@H]1C MCULE-6306125390 [1,0,0,1,0,0|1,0,0]=3 1320 B11R1.222 COC(=O)[C@@H]1CNCC[C@H]1C MCULE-1098365784 [1,0,0,1,0,0|1,0,0]=3 1321 B11R1.222 COC(=O)[C@@H]1CNCC[C@H]1C MCULE-6581985698 [1,0,0,1,0,0|1,0,0]=3 1322 B11R1.222 COC(=O)[C@@H]1COCC[C@@H]1N MCULE-1061149990 [1,0,0,1,0,0|2,0,0]=4 1323 B11R1.222 COC(=O)[C@@H]1COCC[C@@H]1N MCULE-6747132947 [1,0,0,1,0,0|2,0,0]=4 1324 B11R1.222 COC(=O)[C@@H]1COCC[C@H]1N MCULE-7185366042 [1,0,0,1,0,0|2,0,0]=4 1325 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N MCULE-3421501449 [1,0,0,1,0,0|1,0,0]=3 1326 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N MCULE-4527749095 [1,0,0,1,0,0|1,0,0]=3 1327 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N MCULE-5241465045 [1,0,0,1,0,0|1,0,0]=3 1328 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N MCULE-9223863052 [1,0,0,1,0,0|1,0,0]=3 1329 B11R1.222 COC(=O)[C@H]1CCCN[C@@H]1C MCULE-2757355307 [1,0,0,1,0,0|1,0,0]=3 1330 B11R1.222 COC(=O)[C@H]1CCCN[C@H]1C MCULE-3385138275 [1,0,0,1,0,0|1,0,0]=3 1331 B11R1.222 COC(=O)[C@H]1CCCN[C@H]1C MCULE-4359847105 [1,0,0,1,0,0|1,0,0]=3 1332 B11R1.222 COC(=O)[C@H]1CCCN[C@H]1C MCULE-7058619393 [1,0,0,1,0,0|1,0,0]=3 1333 B11R1.222 COC(=O)[C@H]1CNCC[C@@H]1C MCULE-7100934081 [1,0,0,1,0,0|1,0,0]=3 1334 B11R1.222 COC(=O)[C@H]1CNCC[C@@H]1C MCULE-9285767505 [1,0,0,1,0,0|1,0,0]=3 1335 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C MCULE-2607251792 [1,0,0,1,0,0|1,0,0]=3 1336 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C MCULE-3363958778 [1,0,0,1,0,0|1,0,0]=3 1337 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C MCULE-3805360011 [1,0,0,1,0,0|1,0,0]=3 1338 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C MCULE-7618725820 [1,0,0,1,0,0|1,0,0]=3 1339 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1O MCULE-4220266073 [1,0,0,1,0,0|2,0,0]=4 1340 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1O MCULE-5734890382 [1,0,0,1,0,0|2,0,0]=4 1341 B11R1.222 COC(=O)[C@H]1COCC[C@@H]1N MCULE-1850201908 [1,0,0,1,0,0|2,0,0]=4 1342 B11R1.222 COC(=O)[C@H]1COCC[C@@H]1N MCULE-4352205617 [1,0,0,1,0,0|2,0,0]=4 1343 B11R1.222 COC(=O)[C@H]1COCC[C@H]1N MCULE-8034571931 [1,0,0,1,0,0|2,0,0]=4 1344 B11R1.222 COC(=O)[C@H]1NCCC[C@H]1C MCULE-3063776541 [1,0,0,1,0,0|1,0,0]=3 1345 B11R1.222 COC(=O)[C@H]1NCCC[C@H]1C MCULE-5946883789 [1,0,0,1,0,0|1,0,0]=3 1346 B11R1.222 COC(=O)[C@H]1NCCC[C@H]1C MCULE-6952115958 [1,0,0,1,0,0|1,0,0]=3 1347 B11R1.222 COC(=O)[C@H]1NCCC[C@H]1C MCULE-7399475599 [1,0,0,1,0,0|1,0,0]=3 1348 B11R1.222 COC(=O)[C@H]1NCCO[C@@H]1C MCULE-1027378651 [1,0,0,1,0,0|2,0,0]=4 1349 B11R1.222 COC(=O)[C@H]1NCCO[C@@H]1C MCULE-4535362622 [1,0,0,1,0,0|2,0,0]=4 1350 B11R1.222 COC(=O)[C@H]1NCCO[C@@H]1C MCULE-6155846476 [1,0,0,1,0,0|2,0,0]=4 1351 B11R1.222 COC(=O)[C@H]1NCCO[C@@H]1C MCULE-7704553510 [1,0,0,1,0,0|2,0,0]=4 1352 B11R1.228 COC(=O)CC1CCCC1=O MCULE-1943898216 [1,0,0,1,0,0|1,0,1]=4 1353 B11R1.228 COC(=O)CC1CNCC1N MCULE-7476349179 [1,0,0,1,0,0|2,0,0]=4 1354 B11R1.228 COC(=O)CC1CNCC1N MCULE-9058038840 [1,0,0,1,0,0|2,0,0]=4 1355 B11R1.228 COC(=O)C[C@H]1CNC[C@@H]1N MCULE-4757734042 [1,0,0,1,0,0|2,0,0]=4 1356 B11R1.237 COC(=O)CCNCC1CC1 MCULE-5813060615 [1,0,0,1,0,0|1,0,0]=3 1357 B11R1.381 CCC1CCCCC(=O)N1C MCULE-7428713358 [1,0,0,1,0,0|1,0,0]=3 1358 B11R1.852 CCC(=O)C1CCCCCC1 MCULE-7443621337 [1,0,0,1,0,0|1,0,0]=3 1359 B11R1.852 CNC(=O)C1CCCCCC1 MCULE-8197745195 [1,0,0,1,0,0|1,0,0]=3 1360 B11R1.852 CNC(=O)C1CCCCCN1 MCULE-7805616586 [1,0,0,1,0,0|2,0,0]=4 1361 B11R1.852 COC(=O)C1CCC=CCC1 MCULE-3027704453 [1,0,0,1,0,0|0,0,2]=4 1362 B11R1.852 COC(=O)C1CCCCCC1 MCULE-8003000735 [1,0,0,1,0,0|0,0,0]=2 1363 B11R1.852 COC(=O)C1CCCCCN1 MCULE-8548406183 [1,0,0,1,0,0|1,0,0]=3 1364 B11R1.852 COC(=O)C1CCCCCN1 MCULE-9755218906 [1,0,0,1,0,0|1,0,0]=3 1365 B11R1.852 COC(=O)C1CCCCNC1 MCULE-5033307999 [1,0,0,1,0,0|1,0,0]=3 1366 B11R1.852 COC(=O)C1CCCCNC1 MCULE-5999850816 [1,0,0,1,0,0|1,0,0]=3 1367 B11R1.852 COC(=O)C1CCCNCC1 MCULE-3407559638 [1,0,0,1,0,0|1,0,0]=3 1368 B11R1.852 COC(=O)C1CCCNCC1 MCULE-7978075592 [1,0,0,1,0,0|1,0,0]=3 1369 B11R1.852 COC(=O)C1CNCCCN1 MCULE-4382038267 [1,0,0,1,0,0|2,0,0]=4 1370 B11R1.852 COC(=O)C1CNCCCO1 MCULE-5602819799 [1,0,0,1,0,0|2,0,0]=4 1371 B11R1.852 COC(=O)C1CNCCCO1 MCULE-9238281261 [1,0,0,1,0,0|2,0,0]=4 1372 B11R1.852 COC(=O)C1CNCCOC1 MCULE-3087165562 [1,0,0,1,0,0|2,0,0]=4 1373 B11R1.852 COC(=O)C1CNCCOC1 MCULE-3586722287 [1,0,0,1,0,0|2,0,0]=4 1374 B11R1.852 COC(=O)C1CNCCSC1 MCULE-9024750063 [1,0,0,1,0,0|2,0,0]=4 1375 B11R1.852 COC(=O)N1CCCNCC1 MCULE-2036464472 [1,0,0,1,0,0|2,0,0]=4 1376 B11R1.852 COC(=O)N1CCCNCC1 MCULE-5917538833 [1,0,0,1,0,0|2,0,0]=4 1377 B11R1.852 COC(=O)[C@@H]1CCCCCN1 MCULE-2832726026 [1,0,0,1,0,0|1,0,0]=3 1378 B11R1.852 COC(=O)[C@@H]1CCCCCN1 MCULE-6917033588 [1,0,0,1,0,0|1,0,0]=3 1379 B11R1.852 COC(=O)[C@H]1CCCCCN1 MCULE-1594353042 [1,0,0,1,0,0|1,0,0]=3 1380 B11R1.852 COC(=O)[C@H]1CCCCCN1 MCULE-7957773860 [1,0,0,1,0,0|1,0,0]=3 1381 B11R1.852 O=C(CBr)C1CCCCCC1 MCULE-8804572153 [1,0,0,1,0,0|2,0,0]=4 1382 B11R1.852 O=C(CCl)C1CCCCCC1 MCULE-4633849063 [1,0,0,1,0,0|2,0,0]=4 1383 B13R1.6 CCCCCCC1CCCC(=O)O1 MCULE-7844383556 [0,1,0,1,0,0|2,0,0]=4 1384 B13R1.42 CC#CC(=O)NCC1CCCCC1 MCULE-6440377608 [0,1,0,1,0,0|2,0,0]=4 1385 B13R1.42 CCNC(=O)CCN1CCCCC1 MCULE-3745615462 [0,1,0,1,0,0|2,0,0]=4 1386 B13R1.42 CCNC(=O)CCN1CCCCC1 MCULE-8319367404 [0,1,0,1,0,0|2,0,0]=4 1387 B13R1.42 CCNC(=O)NCC1CCCCC1 MCULE-5330677370 [0,1,0,1,0,0|2,0,0]=4 1388 B13R1.42 CCOC(=O)/C=C/C1CCCCC1 MCULE-1457900968 [0,1,0,1,0,0|0,0,2]=4 1389 B13R1.42 CCOC(=O)C=CC1CCCCC1 MCULE-5687333040 [0,1,0,1,0,0|0,0,2]=4 1390 B13R1.42 CCOC(=O)CCC1CCCCC1 MCULE-3795646947 [0,1,0,1,0,0|0,0,0]=2 1391 B13R1.42 CCOC(=O)CCC1CCCCN1 MCULE-8312422994 [0,1,0,1,0,0|1,0,0]=3 1392 B13R1.42 CCOC(=O)CCC1CCCCN1 MCULE-9450759265 [0,1,0,1,0,0|1,0,0]=3 1393 B13R1.42 CCOC(=O)CCC1CCCNC1 MCULE-1637411753 [0,1,0,1,0,0|1,0,0]=3 1394 B13R1.42 CCOC(=O)CCC1CCCNC1 MCULE-8761619525 [0,1,0,1,0,0|1,0,0]=3 1395 B13R1.42 CCOC(=O)CCC1CCNCC1 MCULE-6427583290 [0,1,0,1,0,0|1,0,0]=3 1396 B13R1.42 CCOC(=O)CCC1CCNCC1 MCULE-9125092654 [0,1,0,1,0,0|1,0,0]=3 1397 B13R1.42 CCOC(=O)CCC1CCOCC1 MCULE-5773636038 [0,1,0,1,0,0|1,0,0]=3 1398 B13R1.42 CCOC(=O)CCC1COCCN1 MCULE-4697835214 [0,1,0,1,0,0|2,0,0]=4 1399 B13R1.42 CCOC(=O)CCC1OCCCO1 MCULE-8117295121 [0,1,0,1,0,0|2,0,0]=4 1400 B13R1.42 CCOC(=O)CCN1CCCCC1 MCULE-1605821182 [0,1,0,1,0,0|1,0,0]=3 1401 B13R1.42 CCOC(=O)CCN1CCNCC1 MCULE-8095645723 [0,1,0,1,0,0|2,0,0]=4 1402 B13R1.42 CCOC(=O)CCN1CCNCC1 MCULE-9650581085 [0,1,0,1,0,0|2,0,0]=4 1403 B13R1.42 CCOC(=O)CCN1CCOCC1 MCULE-1947254518 [0,1,0,1,0,0|2,0,0]=4 1404 B13R1.42 CCOC(=O)CNC1CCCCC1 MCULE-1722006916 [0,1,0,1,0,0|1,0,0]=3 1405 B13R1.42 CCOC(=O)CNC1CCCCC1 MCULE-4764520099 [0,1,0,1,0,0|1,0,0]=3 1406 B13R1.42 CCOC(=O)COC1CCCCO1 MCULE-4958737382 [0,1,0,1,0,0|2,0,0]=4 1407 B13R1.42 CCOC(=O)COC1CCNCC1 MCULE-2621367837 [0,1,0,1,0,0|2,0,0]=4 1408 B13R1.42 CCOC(=O)COC1CCNCC1 MCULE-6082423574 [0,1,0,1,0,0|2,0,0]=4 1409 B13R1.42 COCC(=O)OCC1CCCNC1 MCULE-8329667950 [0,1,0,1,0,0|2,0,0]=4 1410 B13R1.42 COCC(=O)OCC1CCCNC1 MCULE-8775075323 [0,1,0,1,0,0|2,0,0]=4 1411 B13R1.42 COCC(=O)OCC1CCNCC1 MCULE-6867759557 [0,1,0,1,0,0|2,0,0]=4 1412 B13R1.42 COCC(=O)OCC1CCNCC1 MCULE-9317384746 [0,1,0,1,0,0|2,0,0]=4 1413 B13R1.42 NOCC(=O)NCC1CCCCC1 MCULE-8453630737 [0,1,0,1,0,0|2,0,0]=4 1414 B13R1.119 CCCCCCCCC1=CC=CO1 MCULE-8515332267 [0,1,0,1,0,0|1,0,1]=4 1415 B13R1.190 CCCCCCC1OC(=O)CC1C MCULE-7996140068 [0,1,0,1,0,0|2,0,0]=4 1416 B13R1.279 C=C1CCCCCCCCCCC1 MCULE-1393925319 [0,1,0,1,0,0|2,0,0]=4 1417 B13R1.279 O=C1CCCCCCCCCCC1 MCULE-8431279332 [0,1,0,1,0,0|1,0,0]=3 1418 B13R1.279 O=C1CCCCCCCCCCN1 MCULE-7739147292 [0,1,0,1,0,0|1,0,0]=3 1419 B13R1.279 O=C1CCCCCCCCCCO1 MCULE-5646678690 [0,1,0,1,0,0|0,0,0]=2 1420 B13R1.404 CCOC(=O)CCNC1CCCC1 MCULE-1525288622 [0,1,0,1,0,0|1,0,0]=3 1421 B13R1.404 CCOC(=O)CCNC1CCCC1 MCULE-8488402424 [0,1,0,1,0,0|1,0,0]=3 1422 B13R1.404 CCOC(=O)CNCC1CCCO1 MCULE-5596592609 [0,1,0,1,0,0|2,0,0]=4 1423 B13R1.404 CCOC(=O)COCC1CCCO1 MCULE-2076514702 [0,1,0,1,0,0|2,0,0]=4 1424 B13R1.404 COCC(=O)NCCC1CCCN1 MCULE-8187443616 [0,1,0,1,0,0|2,0,0]=4 1425 B13R1.448 CCOC(=O)CCCNC1CCC1 MCULE-1013663406 [0,1,0,1,0,0|1,0,0]=3 1426 B13R1.463 CCOC(=O)C1CCCCCC1=O MCULE-8781094992 [0,1,0,1,0,0|1,0,1]=4 1427 B13R1.464 CCC1CCCCN1C(=O)CCN MCULE-4781560728 [0,1,0,1,0,0|2,0,0]=4 1428 B13R1.464 CCC1CCCCN1C(=O)CCN MCULE-9870591481 [0,1,0,1,0,0|2,0,0]=4 1429 B13R1.464 CCC1CCCCN1C(=O)CNC MCULE-3156428738 [0,1,0,1,0,0|2,0,0]=4 1430 B13R1.464 CCC1CCCCN1C(=O)CNC MCULE-3638711780 [0,1,0,1,0,0|2,0,0]=4 1431 B13R1.464 CCNC(=O)N1CCCCC1CC MCULE-7723904653 [0,1,0,1,0,0|2,0,0]=4 1432 B13R1.464 CCOC(=O)N1CCCCC1CO MCULE-3880015020 [0,1,0,1,0,0|2,0,0]=4 1433 B13R1.470 CCOC(=O)CC1CCCCC1=O MCULE-9467254413 [0,1,0,1,0,0|1,0,1]=4 1434 B13R1.470 CCOC(=O)CC1CCCCC1C MCULE-2556210216 [0,1,0,1,0,0|0,0,0]=2 1435 B13R1.470 CCOC(=O)CC1CCNCC1C MCULE-6866763376 [0,1,0,1,0,0|1,0,0]=3 1436 B13R1.470 CCOC(=O)CC1CCNCC1C MCULE-8458420799 [0,1,0,1,0,0|1,0,0]=3 1437 B13R1.470 CCOC(=O)CC1CCOCC1F MCULE-4987265269 [0,1,0,1,0,0|2,0,0]=4 1438 B13R1.470 CCOC(=O)CN1CCCCC1C MCULE-7049686856 [0,1,0,1,0,0|1,0,0]=3 1439 B13R1.654 CCCCCCCC1CCCC1=O MCULE-6699941490 [0,1,0,1,0,0|1,0,0]=3 1440 B13R1.1464 CC#CC(=O)N1CCCCCCC1 MCULE-2965490975 [0,1,0,1,0,0|2,0,0]=4 1441 B13R1.1464 CCOC(=O)C1CCCCCCC1 MCULE-7547074128 [0,1,0,1,0,0|0,0,0]=2 1442 B13R1.1575 CCNC(=O)OC1CCCCCC1 MCULE-9362178954 [0,1,0,1,0,0|2,0,0]=4 1443 B13R1.1575 CCOC(=O)C=C1CCCCCC1 MCULE-9731133687 [0,1,0,1,0,0|0,0,2]=4 1444 B13R1.1575 CCOC(=O)CC1CCCCCC1 MCULE-3082077758 [0,1,0,1,0,0|0,0,0]=2 1445 B13R1.1575 CCOC(=O)CN1CCCCCC1 MCULE-5110746682 [0,1,0,1,0,0|1,0,0]=3 1446 B13R1.1575 CCOC(=O)CN1CCCNCC1 MCULE-2285037240 [0,1,0,1,0,0|2,0,0]=4 1447 B13R1.1575 CCOC(=O)CN1CCCNCC1 MCULE-4526170590 [0,1,0,1,0,0|2,0,0]=4 1448 B13R1.1575 CCOC(=O)NC1CCCCCC1 MCULE-5320832869 [0,1,0,1,0,0|1,0,0]=3 1449 B13R1.1575 COCC(=O)NC1CCCCCC1 MCULE-2405001825 [0,1,0,1,0,0|1,0,0]=3 1450 B13R1.1575 O=C(CCCl)NC1CCCCCC1 MCULE-9757783387 [0,1,0,1,0,0|2,0,0]=4 1451 B13R1.2851 CCCCOC1CC1C(=O)OCC MCULE-7375295486 [0,1,0,1,0,0|1,0,0]=3 1452 B13R1.135 CNC(=O)C(N)CC1CCCCC1 MCULE-1015191603 [0,1,0,1,0,0|1,0,0]=3 1453 B13R1.135 CNC(=O)[C@@H](N)CC1CCCCC1 MCULE-9384093250 [0,1,0,1,0,0|1,0,0]=3 1454 B13R1.135 COC(=O)C(C)CC1CCCNC1 MCULE-6274443137 [0,1,0,1,0,0|1,0,0]=3 1455 B13R1.135 COC(=O)C(C)CC1CCOCC1 MCULE-2510030716 [0,1,0,1,0,0|1,0,0]=3 1456 B13R1.135 COC(=O)C(C)CC1COCCO1 MCULE-3967722040 [0,1,0,1,0,0|2,0,0]=4 1457 B13R1.135 COC(=O)C(C)CN1CCCCC1 MCULE-1913814222 [0,1,0,1,0,0|1,0,0]=3 1458 B13R1.135 COC(=O)C(C)CN1CCOCC1 MCULE-3281086586 [0,1,0,1,0,0|2,0,0]=4 1459 B13R1.135 COC(=O)C(N)CC1CCCCC1 MCULE-2510942472 [0,1,0,1,0,0|0,0,0]=2 1460 B13R1.135 COC(=O)C(N)CC1CCCCC1 MCULE-4033613776 [0,1,0,1,0,0|0,0,0]=2 1461 B13R1.135 COC(=O)C(N)CC1CCCCC1 MCULE-8516612163 [0,1,0,1,0,0|0,0,0]=2 1462 B13R1.135 COC(=O)C(N)CC1CCCOC1 MCULE-6738102519 [0,1,0,1,0,0|1,0,0]=3 1463 B13R1.135 COC(=O)C(N)CC1CCCOC1 MCULE-8865715003 [0,1,0,1,0,0|1,0,0]=3 1464 B13R1.135 COC(=O)C(N)CC1CCOCC1 MCULE-5337041188 [0,1,0,1,0,0|1,0,0]=3 1465 B13R1.135 COC(=O)C(N)CC1CCOCC1 MCULE-9819422304 [0,1,0,1,0,0|1,0,0]=3 1466 B13R1.135 COC(=O)C(N)CN1CCCCC1 MCULE-3688923805 [0,1,0,1,0,0|1,0,0]=3 1467 B13R1.135 COC(=O)C(N)CN1CCCCC1 MCULE-4875514103 [0,1,0,1,0,0|1,0,0]=3 1468 B13R1.135 COC(=O)C(N)CN1CCOCC1 MCULE-2783402421 [0,1,0,1,0,0|2,0,0]=4 1469 B13R1.135 COC(=O)C(N)CN1CCOCC1 MCULE-5458536504 [0,1,0,1,0,0|2,0,0]=4 1470 B13R1.135 COC(=O)C(O)CC1CCCCC1 MCULE-5392320369 [0,1,0,1,0,0|0,0,0]=2 1471 B13R1.135 COC(=O)C([NH3+])CC1CCCCC1 MCULE-7882303427 [0,1,0,1,0,0|0,0,0]=2 1472 B13R1.135 COC(=O)[C@@H](N)CC1CCCCC1 MCULE-4477542346 [0,1,0,1,0,0|0,0,0]=2 1473 B13R1.135 COC(=O)[C@@H](N)CC1CCCCC1 MCULE-7319974393 [0,1,0,1,0,0|0,0,0]=2 1474 B13R1.135 COC(=O)[C@@H](N)CC1CCCCC1 MCULE-8414305169 [0,1,0,1,0,0|0,0,0]=2 1475 B13R1.135 COC(=O)[C@@H](N)CC1CCCCC1 MCULE-8597194587 [0,1,0,1,0,0|0,0,0]=2 1476 B13R1.135 COC(=O)[C@H](N)CC1CCCCC1 MCULE-1785615651 [0,1,0,1,0,0|0,0,0]=2 1477 B13R1.135 COC(=O)[C@H](N)CC1CCCCC1 MCULE-2749145426 [0,1,0,1,0,0|0,0,0]=2 1478 B13R1.135 COC(=O)[C@H](N)CC1CCCCC1 MCULE-5156588254 [0,1,0,1,0,0|0,0,0]=2 1479 B13R1.135 COC(=O)[C@H](N)CC1CCCCC1 MCULE-8167140931 [0,1,0,1,0,0|0,0,0]=2 1480 B13R1.135 [C@@H](C)(NC1CCCCC1)C(=O)OC MCULE-4598545139 [0,1,0,1,0,0|1,0,0]=3 1481 B13R1.135 [C@@H](C)(NC1CCCCC1)C(=O)OC MCULE-7965867722 [0,1,0,1,0,0|1,0,0]=3 1482 B13R1.554 COC(=O)C(C)CNC1CCCC1 MCULE-6175914343 [0,1,0,1,0,0|1,0,0]=3 1483 B13R1.554 COC(=O)C(N)CCC1OCCO1 MCULE-6271821813 [0,1,0,1,0,0|2,0,0]=4 1484 B13R1.696 COC(=O)C(O)C1CCCCC1=O MCULE-2907483242 [0,1,0,1,0,0|1,0,1]=4 1485 B13R1.1688 COC(=O)C1CCCCCC(=O)C1 MCULE-8831431067 [0,1,0,1,0,0|0,0,1]=3 1486 B13R1.1688 COC(=O)C1CCCCCC(C1)O MCULE-8398930130 [0,1,0,1,0,0|0,0,0]=2 1487 B13R1.1843 COC(=O)C1(CCCCCCC1)N MCULE-2824322353 [0,1,0,1,0,0|0,0,0]=2 1488 B13R1.3048 COC(=O)C1CCCCC(C1)OC MCULE-9549097775 [0,1,0,1,0,0|1,0,0]=3 1489 B13R1.371 CCCCC[C@H]1CC[C@@H](CC1)C=O MCULE-7961641900 [0,1,0,1,0,0|1,0,1]=4 1490 B13R1.623 COC1=NCCCCCCCCC1 MCULE-8082869157 [0,1,0,1,0,0|1,0,0]=3 1491 B13R1.528 COC(=O)CCC1CCCCC1=O MCULE-6511835645 [0,1,0,1,0,0|0,0,1]=3 1492 B13R1.528 COC(=O)CCN1CCCCC1=O MCULE-8081118290 [0,1,0,1,0,0|1,0,1]=4 1493 B13R1.528 COC(=O)CCN1CCCCC1C MCULE-8929818560 [0,1,0,1,0,0|0,0,0]=2 1494 B13R1.718 CCC(=O)NCCN1CCCCC1 MCULE-8643520756 [0,1,0,1,0,0|2,0,0]=4 1495 B13R1.718 CCC(=O)OCCC1CCCCN1 MCULE-6945783306 [0,1,0,1,0,0|2,0,0]=4 1496 B13R1.718 CCC(=O)OCCC1CCCCN1 MCULE-7199789721 [0,1,0,1,0,0|2,0,0]=4 1497 B13R1.718 CCC(=O)OCCC1CCCNC1 MCULE-3396732389 [0,1,0,1,0,0|2,0,0]=4 1498 B13R1.718 CCC(=O)OCCC1CCCNC1 MCULE-6398484140 [0,1,0,1,0,0|2,0,0]=4 1499 B13R1.718 CCC(=O)OCCC1CCNCC1 MCULE-3568490915 [0,1,0,1,0,0|2,0,0]=4 1500 B13R1.718 CCC(=O)OCCC1CCNCC1 MCULE-6258622429 [0,1,0,1,0,0|2,0,0]=4 1501 B13R1.718 CNC(=O)CCCC1CCNCC1 MCULE-9692635349 [0,1,0,1,0,0|1,0,0]=3 1502 B13R1.718 CNC(=O)CCNC1CCCCC1 MCULE-9756341626 [0,1,0,1,0,0|1,0,0]=3 1503 B13R1.718 CNC(=O)CNCC1CCOCC1 MCULE-4385240791 [0,1,0,1,0,0|2,0,0]=4 1504 B13R1.718 CNC(=O)NCCN1CCCCC1 MCULE-3854432351 [0,1,0,1,0,0|2,0,0]=4 1505 B13R1.718 COC(=O)CCCC1CCNCC1 MCULE-7580366096 [0,1,0,1,0,0|0,0,0]=2 1506 B13R1.718 COC(=O)CCCC1CCNCC1 MCULE-9217647970 [0,1,0,1,0,0|0,0,0]=2 1507 B13R1.718 COC(=O)CCCN1CCCCC1 MCULE-6840007912 [0,1,0,1,0,0|0,0,0]=2 1508 B13R1.718 COC(=O)CCCN1CCCCC1 MCULE-9231421014 [0,1,0,1,0,0|0,0,0]=2 1509 B13R1.718 COC(=O)CCCN1CCNCC1 MCULE-6927160903 [0,1,0,1,0,0|1,0,0]=3 1510 B13R1.718 COC(=O)CCCN1CCOCC1 MCULE-1569044371 [0,1,0,1,0,0|1,0,0]=3 1511 B13R1.718 COC(=O)CCCN1CCSCC1 MCULE-8202738986 [0,1,0,1,0,0|1,0,0]=3 1512 B13R1.718 COC(=O)CCNC1CCCCC1 MCULE-2199390487 [0,1,0,1,0,0|0,0,0]=2 1513 B13R1.718 COC(=O)CCNC1CCOCC1 MCULE-4160290559 [0,1,0,1,0,0|1,0,0]=3 1514 B13R1.718 COC(=O)CCOC1CCCCO1 MCULE-9346048746 [0,1,0,1,0,0|1,0,0]=3 1515 B13R1.718 COC(=O)CCOC1CCCNC1 MCULE-2837273563 [0,1,0,1,0,0|1,0,0]=3 1516 B13R1.718 COC(=O)CCOC1CCCNC1 MCULE-8847881863 [0,1,0,1,0,0|1,0,0]=3 1517 B13R1.718 COC(=O)CCOC1CCNCC1 MCULE-5235263362 [0,1,0,1,0,0|1,0,0]=3 1518 B13R1.718 COC(=O)CCOC1CCNCC1 MCULE-7461665740 [0,1,0,1,0,0|1,0,0]=3 1519 B13R1.718 COC(=O)NCCC1=CCCCC1 MCULE-3577230770 [0,1,0,1,0,0|0,0,2]=4 1520 B13R1.718 COC(=O)NCCC1CCCCN1 MCULE-8941703851 [0,1,0,1,0,0|1,0,0]=3 1521 B13R1.718 NNC(=O)CCNC1CCCCC1 MCULE-6999872392 [0,1,0,1,0,0|2,0,0]=4 1522 B13R1.718 O=C(CCl)NCCC1CCCCC1 MCULE-5494147009 [0,1,0,1,0,0|2,0,0]=4 1523 B13R1.2872 COC(=O)CC1CN(CCN1C)C MCULE-7620334603 [0,1,0,1,0,0|2,0,0]=4 1524 B13R1.11 CCC(=O)CC(=O)C1CCCCC1 MCULE-3581531484 [0,1,0,1,0,0|1,0,1]=4 1525 B13R1.11 COC(=O)CC(=O)C1CCCCC1 MCULE-3017627155 [0,1,0,1,0,0|0,0,1]=3 1526 B13R1.11 COC(=O)CC(C)C1COCCO1 MCULE-4540691706 [0,1,0,1,0,0|2,0,0]=4 1527 B13R1.11 COC(=O)CC(C)N1CCCCC1 MCULE-3545538620 [0,1,0,1,0,0|1,0,0]=3 1528 B13R1.11 COC(=O)CC(C)N1CCNCC1 MCULE-4674300699 [0,1,0,1,0,0|2,0,0]=4 1529 B13R1.11 COC(=O)CC(N)C1CCCCC1 MCULE-1800765089 [0,1,0,1,0,0|0,0,0]=2 1530 B13R1.11 COC(=O)CC(N)C1CCCCC1 MCULE-2309042924 [0,1,0,1,0,0|0,0,0]=2 1531 B13R1.11 COC(=O)CN(C)C1CCCCC1 MCULE-4829095543 [0,1,0,1,0,0|1,0,0]=3 1532 B13R1.546 COC(=O)C1CCCCCCC1=O MCULE-2058547373 [0,1,0,1,0,0|0,0,1]=3 1533 B13R1.1870 CCC(=O)NC1CCCCCCC1 MCULE-9142981832 [0,1,0,1,0,0|1,0,0]=3 1534 B13R1.1870 O=C(CCl)NC1CCCCCCC1 MCULE-3469077952 [0,1,0,1,0,0|2,0,0]=4 1535 B13R1.3688 CCCCCCC1(CCC(=O)O1)C MCULE-5079376729 [0,1,0,1,0,0|2,0,0]=4 1536 B13R1.15 COC(=O)CCN1CCNC(C1)C MCULE-2880176332 [0,1,0,1,0,0|2,0,0]=4 1537 B13R1.15 COC(=O)COC1CCCN(C1)C MCULE-2996532128 [0,1,0,1,0,0|2,0,0]=4 1538 B13R1.162 COC(=O)CCC(=O)C1CCCN1 MCULE-7898744890 [0,1,0,1,0,0|1,0,1]=4 1539 B13R1.162 COC(=O)CCC(=O)C1CCCN1 MCULE-9385380604 [0,1,0,1,0,0|1,0,1]=4 1540 B13R1.527 COC(=O)CC1CCCCCC1=O MCULE-7980040182 [0,1,0,1,0,0|0,0,1]=3 1541 B13R1.1711 COC(=O)CCN1CCCCCC1 MCULE-1344291062 [0,1,0,1,0,0|0,0,0]=2 1542 B13R1.1711 COC(=O)CCN1CCCCCC1 MCULE-4180090952 [0,1,0,1,0,0|0,0,0]=2 1543 B13R1.1711 COC(=O)CNC1=NCCCCC1 MCULE-8999789931 [0,1,0,1,0,0|1,0,1]=4 1544 B13R1.1711 COC(=O)CNC1=NCCCCC1 MCULE-9756239163 [0,1,0,1,0,0|1,0,1]=4 1545 B13R1.1711 NNC(=O)CCN1CCCCCC1 MCULE-6290889397 [0,1,0,1,0,0|2,0,0]=4 1546 B13R1.2045 COC(=O)C#CC1(CCCCC1)O MCULE-3051363624 [0,1,0,1,0,0|0,0,2]=4 1547 B13R1.2045 COC(=O)CCC1(CCCCC1)N MCULE-1224408794 [0,1,0,1,0,0|0,0,0]=2 1548 B13R1.2045 COC(=O)CCC1(CCCCC1)N MCULE-3418473431 [0,1,0,1,0,0|0,0,0]=2 1549 B13R1.14 CCC(=O)NC[C@H]1CC[C@@H](CC1)N MCULE-1449106094 [0,1,0,1,0,0|2,0,0]=4 1550 B13R1.14 CCC(=O)NC[C@H]1CC[C@@H](CC1)N MCULE-8037568157 [0,1,0,1,0,0|2,0,0]=4 1551 B13R1.14 CNC(=O)CCN1CCC(CC1)C MCULE-1801586397 [0,1,0,1,0,0|2,0,0]=4 1552 B13R1.14 CNC(=O)CCN1CCC(CC1)C MCULE-4144906797 [0,1,0,1,0,0|2,0,0]=4 1553 B13R1.14 COC(=O)CCN1CCC(=O)CC1 MCULE-3499160246 [0,1,0,1,0,0|1,0,1]=4 1554 B13R1.14 COC(=O)CCN1CCC(CC1)C MCULE-2757305188 [0,1,0,1,0,0|1,0,0]=3 1555 B13R1.14 COC(=O)CCN1CCN(CC1)C MCULE-1076891970 [0,1,0,1,0,0|2,0,0]=4 1556 B13R1.14 COC(=O)CO[C@H]1CC[C@@H](CC1)N MCULE-9985979018 [0,1,0,1,0,0|1,0,0]=3 1557 B13R1.547 COC(=O)C1CCCCC1C(=O)O MCULE-7350983967 [0,1,0,1,0,0|1,0,1]=4 1558 B13R1.547 COC(=O)C1CCCCN1C(=O)C MCULE-6692271710 [0,1,0,1,0,0|1,0,1]=4 1559 B13R1.547 COC(=O)[C@@H]1CCCC[C@@H]1C(=O)O MCULE-1557830756 [0,1,0,1,0,0|1,0,1]=4 1560 B13R1.547 COC(=O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-4205408536 [0,1,0,1,0,0|1,0,1]=4 1561 B13R1.547 COC(=O)[C@@H]1CCCC[C@H]1C(=O)O MCULE-9120944854 [0,1,0,1,0,0|1,0,1]=4 1562 B13R1.547 COC(=O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-1305629315 [0,1,0,1,0,0|1,0,1]=4 1563 B13R1.547 COC(=O)[C@H]1CCCC[C@@H]1C(=O)O MCULE-7753088653 [0,1,0,1,0,0|1,0,1]=4 1564 B13R1.547 COC(=O)[C@H]1CCCC[C@H]1C(=O)O MCULE-9394786545 [0,1,0,1,0,0|1,0,1]=4 1565 B13R1.547 COC(=O)[C@H]1CCCC[C@H]1C(=O)O MCULE-9635559361 [0,1,0,1,0,0|1,0,1]=4 1566 B13R1.2878 COC(=O)CC1CCNCC1(C)C MCULE-8470215539 [0,1,0,1,0,0|1,0,0]=3 1567 B13R1.2878 COC(=O)CC1CCNCC1(F)F MCULE-1008965824 [0,1,0,1,0,0|2,0,0]=4 1568 B13R1.2878 COC(=O)CC1CCNCC1(F)F MCULE-3403006483 [0,1,0,1,0,0|2,0,0]=4 1569 B13R1.9 CCCCCCC1CCC(=O)CC1 MCULE-8215721805 [0,1,0,1,0,0|1,0,0]=3 1570 B13R1.9 CCCCCCN1CCC(=O)CC1 MCULE-9197520812 [0,1,0,1,0,0|1,0,0]=3 1571 B13R1.27 CCCCCCCC1CCC(=O)O1 MCULE-9018416843 [0,1,0,1,0,0|1,0,0]=3 1572 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 MCULE-5815442718 [0,1,0,1,0,0|1,0,0]=3 1573 B13R1.91 COC1CCCCC1NC(=O)SC MCULE-3913731563 [0,1,0,1,0,0|1,1,0]=4 1574 B13R1.382 C#CCN1CCCCC1C(=O)OC MCULE-7871529749 [0,1,0,1,0,0|0,0,2]=4 1575 B13R1.382 CNC(=O)N1CCCCC1CCN MCULE-2858229447 [0,1,0,1,0,0|2,0,0]=4 1576 B13R1.382 CNC(=O)N1CCCCC1CCN MCULE-8442470006 [0,1,0,1,0,0|2,0,0]=4 1577 B13R1.536 CNC(=O)CCNCC1CCCO1 MCULE-1654486953 [0,1,0,1,0,0|2,0,0]=4 1578 B13R1.536 COC(=O)CCNCC1CCCC1 MCULE-8692054082 [0,1,0,1,0,0|0,0,0]=2 1579 B13R1.536 COC(=O)CCNCC1CCCO1 MCULE-2760624578 [0,1,0,1,0,0|1,0,0]=3 1580 B13R1.536 COC(=O)CCOCC1CCNC1 MCULE-3506589342 [0,1,0,1,0,0|1,0,0]=3 1581 B13R1.536 COC(=O)CCOCC1CCNC1 MCULE-9390752221 [0,1,0,1,0,0|1,0,0]=3 1582 B13R1.599 CNC(=O)NCCC1CCCN1C MCULE-8338239820 [0,1,0,1,0,0|2,0,0]=4 1583 B13R1.599 COC(=O)CCCN1CCCC1=O MCULE-8104995451 [0,1,0,1,0,0|1,0,1]=4 1584 B13R1.613 CCN1CCCC1CNC(=O)NC MCULE-5127815326 [0,1,0,1,0,0|2,0,0]=4 1585 B13R1.613 COC(=O)CCN1CCC[C@H]1CO MCULE-8738435926 [0,1,0,1,0,0|1,0,0]=3 1586 B13R1.89 CCC1CCCCN1C(=O)C(C)Cl MCULE-5057557057 [0,1,0,1,0,0|2,0,0]=4 1587 B13R1.89 CCC1CCCCN1C(=O)C(C)N MCULE-7612526073 [0,1,0,1,0,0|2,0,0]=4 1588 B13R1.89 CCC1CCCCN1C(=O)C(C)N MCULE-9599460592 [0,1,0,1,0,0|2,0,0]=4 1589 B13R1.202 CC(Cl)C(=O)NC1CCCCC1C MCULE-7004008444 [0,1,0,1,0,0|2,0,0]=4 1590 B13R1.351 CC(Cl)C(=O)NCC1CCCCC1 MCULE-5909508280 [0,1,0,1,0,0|2,0,0]=4 1591 B13R1.351 CN(C)C(=O)CCC1CCCNC1 MCULE-3526018241 [0,1,0,1,0,0|2,0,0]=4 1592 B13R1.351 CN(C)C(=O)CCC1CCNCC1 MCULE-1138475520 [0,1,0,1,0,0|2,0,0]=4 1593 B13R1.351 CN(C)C(=O)CCC1CCNCC1 MCULE-7648703238 [0,1,0,1,0,0|2,0,0]=4 1594 B13R1.6192 CC(C)C(=O)NC1CCCCCC1 MCULE-9662568188 [0,1,0,1,0,0|2,0,0]=4 1595 B13R1.6192 CC(Cl)C(=O)NC1CCCCCC1 MCULE-7153470171 [0,1,0,1,0,0|2,0,0]=4 1596 B13R1.19 CCCC(C)CN1CCC(=O)CC1 MCULE-1987001259 [0,1,0,1,0,0|2,0,0]=4 1597 B13R2.12 O=C1CCC(CC1)C2CCCC2 MCULE-8733332969 [0,0,0,2,0,0|1,0,0]=3 1598 B13R2.12 O=C1CCC(CC1)N2CCCC2 MCULE-4768719219 [0,0,0,2,0,0|2,0,0]=4 1599 B13R2.12 O=C1CCN(CC1)C2CCCC2 MCULE-1408665705 [0,0,0,2,0,0|2,0,0]=4 1600 B13R2.5037 O=C1C=CC2(CCCCC2)CC1 MCULE-3926742898 [0,0,0,2,0,0|1,0,1]=4 1601 B13R2.5037 O=C1CCC2(CCCCC2)CC1 MCULE-3909575496 [0,0,0,2,0,0|1,0,0]=3 1602 B13R2.5037 O=C1CCC2(CCCCO2)CC1 MCULE-8355867532 [0,0,0,2,0,0|2,0,0]=4 1603 B13R2.5037 O=C1CCC2(CCCNC2)CN1 MCULE-1083350681 [0,0,0,2,0,0|2,0,0]=4 1604 B13R2.5037 O=C1CCC2(CCCNC2)CN1 MCULE-3430424236 [0,0,0,2,0,0|2,0,0]=4 1605 B13R2.5037 O=C1CCC2(CCNCC2)CC1 MCULE-4938041141 [0,0,0,2,0,0|2,0,0]=4 1606 B13R2.5037 O=C1CCC2(CCNCC2)CC1 MCULE-7759422650 [0,0,0,2,0,0|2,0,0]=4 1607 B13R2.5037 O=C1CCC2(CCNCC2)CN1 MCULE-1487014311 [0,0,0,2,0,0|2,0,0]=4 1608 B13R2.5037 O=C1CCC2(CCNCC2)CN1 MCULE-1968787578 [0,0,0,2,0,0|2,0,0]=4 1609 B13R2.5037 O=C1CCC2(CCNCC2)CN1 MCULE-4591121928 [0,0,0,2,0,0|2,0,0]=4 1610 B13R2.5037 O=C1CCC2(CCOCC2)CC1 MCULE-7173180110 [0,0,0,2,0,0|2,0,0]=4 1611 B13R2.5037 O=C1CCC2(CCOCC2)CN1 MCULE-8267082770 [0,0,0,2,0,0|2,0,0]=4 1612 B13R2.5037 O=C1CNC2(CCCCC2)CN1 MCULE-2534440502 [0,0,0,2,0,0|2,0,0]=4 1613 B13R2.10 O=C1CC(CN1)C2CCCCC2 MCULE-5365111775 [0,0,0,2,0,0|1,0,0]=3 1614 B13R2.10 O=C1CC(CN1)C2CCCNC2 MCULE-7052622833 [0,0,0,2,0,0|2,0,0]=4 1615 B13R2.10 O=C1CC(CN1)C2CCNCC2 MCULE-3195911018 [0,0,0,2,0,0|2,0,0]=4 1616 B13R2.10 O=C1NC(CO1)C2CCCCC2 MCULE-5694957688 [0,0,0,2,0,0|1,0,0]=3 1617 B13R2.10 O=C1NC(CO1)C2CCNCC2 MCULE-7591263219 [0,0,0,2,0,0|2,0,0]=4 1618 B13R2.10 O=C1NC(CO1)C2CCNCC2 MCULE-8297199280 [0,0,0,2,0,0|2,0,0]=4 1619 B13R2.142 O=C1NC(CO1)CC2CCCC2 MCULE-4963170434 [0,0,0,2,0,0|1,0,0]=3 1620 B13R2.5023 CC1CCCCC12CC(=O)NN2 MCULE-6332429240 [0,0,0,2,0,0|2,0,0]=4 1621 B13R2.13132 O=C1CC2(CCCCCC2)CN1 MCULE-1694313799 [0,0,0,2,0,0|1,0,0]=3 1622 B13R2.13132 O=C1CC2(CCCCCC2)NN1 MCULE-8937724086 [0,0,0,2,0,0|2,0,0]=4 1623 B13R2.13132 S=C1CC2(CCCCCC2)CN1 MCULE-1450297417 [0,0,0,2,0,0|1,1,0]=4 1624 B13R2.32 CN1C(=O)CCC2C1CCNC2 MCULE-1193131747 [0,0,0,2,0,0|2,0,0]=4 1625 B13R2.32 CN1C(=O)CCC2C1CCNC2 MCULE-4231550993 [0,0,0,2,0,0|2,0,0]=4 1626 B13R2.32 CN1C(=O)CC[C@@H]2[C@H]1CCNC2 MCULE-1423832232 [0,0,0,2,0,0|2,0,0]=4 1627 B13R2.32 CN1C(=O)CC[C@@H]2[C@H]1CCNC2 MCULE-3424380637 [0,0,0,2,0,0|2,0,0]=4 1628 B13R2.32 CN1C(=O)CC[C@H]2[C@@H]1CCNC2 MCULE-9042118388 [0,0,0,2,0,0|2,0,0]=4 1629 B13R2.32 CN1C(=O)CC[C@H]2[C@H]1CCNC2 MCULE-1139873395 [0,0,0,2,0,0|2,0,0]=4 1630 B13R2.32 CN1C(=O)CC[C@H]2[C@H]1CCNC2 MCULE-2163393274 [0,0,0,2,0,0|2,0,0]=4 1631 B13R2.32 CN1C(=O)CO[C@H]2[C@H]1CCCC2 MCULE-5690879850 [0,0,0,2,0,0|2,0,0]=4 1632 B13R2.32 [C@@H]12CCC(=O)N([C@H]1CCNC2)C MCULE-7954702833 [0,0,0,2,0,0|2,0,0]=4 1633 B13R2.32 [C@@H]12CCC(=O)N([C@H]1CCNC2)C MCULE-9752493826 [0,0,0,2,0,0|2,0,0]=4 1634 B13R2.32 [C@@H]12CCCC[C@H]1N(C(=O)CO2)C MCULE-4913694211 [0,0,0,2,0,0|2,0,0]=4 1635 B13R2.32 [C@H]12CCCC[C@@H]1N(C(=O)CO2)C MCULE-1581075018 [0,0,0,2,0,0|2,0,0]=4 1636 B13R2.32 [C@H]12CCCC[C@@H]1N(C(=O)CO2)C MCULE-1754746136 [0,0,0,2,0,0|2,0,0]=4 1637 B13R2.32 [C@H]12CCCC[C@@H]1N(C(=O)CO2)C MCULE-2790991716 [0,0,0,2,0,0|2,0,0]=4 1638 B13R2.32 [C@H]12CCCC[C@@H]1N(C(=O)CO2)C MCULE-9168589558 [0,0,0,2,0,0|2,0,0]=4 1639 B13R2.4820 O=C1NCCN2C1CCCCC2 MCULE-8739804132 [0,0,0,2,0,0|2,0,0]=4 1640 B13R2.10201 CN1C2CCCC1CC(=O)NC2 MCULE-1374837344 [0,0,0,2,0,0|2,0,0]=4 1641 B13R2.11115 CC1C(=O)CCNC12CCCC2 MCULE-1957801914 [0,0,0,2,0,0|2,0,0]=4 1642 B13R2.11115 CC1C(=O)CCNC12CCCC2 MCULE-4322799737 [0,0,0,2,0,0|2,0,0]=4 1643 B13R2.528 COC(=O)C1CC12CCCNC2 MCULE-4880819853 [0,0,0,2,0,0|1,0,0]=3 1644 B13R2.528 COC(=O)C1CC12CCNCC2 MCULE-3602070789 [0,0,0,2,0,0|1,0,0]=3 1645 B13R2.528 COC(=O)C1CC12CCNCC2 MCULE-9199631824 [0,0,0,2,0,0|1,0,0]=3 1646 B13R2.528 COC(=O)C1OC12CCCCC2 MCULE-6605255919 [0,0,0,2,0,0|1,0,0]=3 1647 B13R2.1153 COC(=O)C1CC2CCC1NC2 MCULE-1811525001 [0,0,0,2,0,0|1,0,0]=3 1648 B13R2.1153 COC(=O)C1CC2CCC1NC2 MCULE-3686007851 [0,0,0,2,0,0|1,0,0]=3 1649 B13R2.1153 COC(=O)C1CC2CCN1CC2 MCULE-3478107450 [0,0,0,2,0,0|1,0,0]=3 1650 B13R2.1153 COC(=O)C1CC2CCN1CC2 MCULE-7904488743 [0,0,0,2,0,0|1,0,0]=3 1651 B13R2.1153 COC(=O)C1CN2CCC1CC2 MCULE-1982205676 [0,0,0,2,0,0|1,0,0]=3 1652 B13R2.1153 COC(=O)C1CN2CCN1CC2 MCULE-6300510864 [0,0,0,2,0,0|2,0,0]=4 1653 B13R2.1153 COC(=O)C1C[NH+]2CCC1CC2 MCULE-9409520152 [0,0,0,2,0,0|1,0,0]=3 1654 B13R2.1153 [C@@H]12CC[C@@H](CN1)C[C@@H]2C(=O)OC MCULE-8234486086 [0,0,0,2,0,0|1,0,0]=3 1655 B13R2.6482 COC1=NC2(CCCCC2)CC1 MCULE-1970177886 [0,0,0,2,0,0|1,0,0]=3 1656 B13R2.13154 CN1C(=O)CCC12CCNCC2 MCULE-1600009413 [0,0,0,2,0,0|2,0,0]=4 1657 B13R2.13154 CN1C(=O)CCC12CCNCC2 MCULE-6182701363 [0,0,0,2,0,0|2,0,0]=4 1658 B13R2.13154 CN1C(=O)CCC12CCNCC2 MCULE-9177965421 [0,0,0,2,0,0|2,0,0]=4 1659 B13R2.15272 COC(=O)C1NC2C1CCCC2 MCULE-7675509631 [0,0,0,2,0,0|1,0,0]=3 1660 B13R2.371 CN1CCC(=O)C2C1CCCC2 MCULE-8675989879 [0,0,0,2,0,0|2,0,0]=4 1661 B13R2.371 CN1CCC(=O)C2C1CCCC2 MCULE-9043457328 [0,0,0,2,0,0|2,0,0]=4 1662 B13R2.1100 COC(=O)C1C2CCC1CNC2 MCULE-5072572977 [0,0,0,2,0,0|1,0,0]=3 1663 B13R2.1100 COC(=O)C1C2CCC1CNC2 MCULE-5991897599 [0,0,0,2,0,0|1,0,0]=3 1664 B13R2.1100 COC(=O)[C@@H]1[C@@H]2CC[C@H]1CNC2 MCULE-3329840418 [0,0,0,2,0,0|1,0,0]=3 1665 B13R2.1100 COC(=O)[C@@H]1[C@@H]2CC[C@H]1CNC2 MCULE-3600751742 [0,0,0,2,0,0|1,0,0]=3 1666 B13R2.1100 COC(=O)[C@H]1[C@@H]2CC[C@H]1CNC2 MCULE-4041862486 [0,0,0,2,0,0|1,0,0]=3 1667 B13R2.1145 COC(=O)C1CCC2CCC1N2 MCULE-5090409035 [0,0,0,2,0,0|1,0,0]=3 1668 B13R2.1145 COC(=O)[C@H]1CC[C@@H]2CC[C@H]1N2 MCULE-1990691805 [0,0,0,2,0,0|1,0,0]=3 1669 B13R2.1145 COC(=O)[C@H]1CC[C@@H]2CC[C@H]1N2 MCULE-7803931597 [0,0,0,2,0,0|1,0,0]=3 1670 B13R2.1145 COC(=O)[C@H]1CC[C@H]2CC[C@@H]1N2 MCULE-2083829139 [0,0,0,2,0,0|1,0,0]=3 1671 B13R2.1145 [C@H]12CC[C@@H]([C@H](N1)CC2)C(=O)OC MCULE-9977732526 [0,0,0,2,0,0|1,0,0]=3 1672 B13R2.218 [C@H]12CCN[C@@H]1CCCCC(=O)N2 MCULE-9200443505 [0,0,0,2,0,0|2,0,0]=4 1673 B13R2.6859 CCC(=O)NC1CC2CCC1C2 MCULE-9118878811 [0,0,0,2,0,0|2,0,0]=4 1674 B13R2.369 O=C1CC2CCCCC2CC1Br MCULE-1955855679 [0,0,0,2,0,0|2,0,0]=4 1675 B13R2.393 O=C1CCCCC2OC2CCC1 MCULE-3625027376 [0,0,0,2,0,0|2,0,0]=4 1676 B13R2.1079 COC(=O)C1CNCC1C2CC2 MCULE-5415231424 [0,0,0,2,0,0|1,0,0]=3 1677 B13R2.1079 COC(=O)C1CNCC1C2CC2 MCULE-5477417079 [0,0,0,2,0,0|1,0,0]=3 1678 B13R2.1151 COC(=O)C1CC2CC1CC2=O MCULE-3136845842 [0,0,0,2,0,0|1,0,1]=4 1679 B13R2.1191 COC(=O)C1CNCC12CCC2 MCULE-1945314278 [0,0,0,2,0,0|1,0,0]=3 1680 B13R2.14995 COC(=O)C12CCCC1CNC2 MCULE-3734818939 [0,0,0,2,0,0|1,0,0]=3 1681 B13R2.14995 COC(=O)C12CCCN1CCC2 MCULE-1099918832 [0,0,0,2,0,0|1,0,0]=3 1682 B13R2.14995 COC(=O)C12CNCC1COC2 MCULE-3373461225 [0,0,0,2,0,0|2,0,0]=4 1683 B13R2.14995 COC(=O)C12CNCC1COC2 MCULE-4115836265 [0,0,0,2,0,0|2,0,0]=4 1684 B13R2.14995 COC(=O)[C@]12CCC[C@H]1CNC2 MCULE-5096330707 [0,0,0,2,0,0|1,0,0]=3 1685 B13R2.14995 [C@H]12CNC[C@]1(COC2)C(=O)OC MCULE-5515661331 [0,0,0,2,0,0|2,0,0]=4 1686 B13R2.14995 [C@H]12CNC[C@]1(COC2)C(=O)OC MCULE-8692276059 [0,0,0,2,0,0|2,0,0]=4 1687 B13R2.533 COC(=O)C1NCC12CCCC2 MCULE-2083682040 [0,0,0,2,0,0|1,0,0]=3 1688 B13R2.533 COC(=O)C1NCC12CCCC2 MCULE-6209167801 [0,0,0,2,0,0|1,0,0]=3 1689 B13R2.531 COC(=O)C1CC2CNCC2C1 MCULE-3877507377 [0,0,0,2,0,0|1,0,0]=3 1690 B13R2.531 COC(=O)N1CC2CCNC2C1 MCULE-5756763599 [0,0,0,2,0,0|2,0,0]=4 1691 B13R2.214 CN1C(=O)C2CCCC1CNC2 MCULE-5424597133 [0,0,0,2,0,0|2,0,0]=4 1692 B13R2.214 CN1C(=O)C2CCCC1CNC2 MCULE-9074872364 [0,0,0,2,0,0|2,0,0]=4 1693 B13R2.214 [C@H]12CCC[C@H](CNC1)C(=O)N2C MCULE-3484152318 [0,0,0,2,0,0|2,0,0]=4 1694 B13R2.214 [C@H]12CCC[C@H](CNC1)C(=O)N2C MCULE-6523039695 [0,0,0,2,0,0|2,0,0]=4 1695 B13R2.214 [C@H]12CCC[C@H](CNC1)C(=O)N2C MCULE-9443153083 [0,0,0,2,0,0|2,0,0]=4 1696 B13R2.214 [C@H]12CCC[C@H](CNC1)C(=O)N2C MCULE-9965003302 [0,0,0,2,0,0|2,0,0]=4