0 B9R0.45 BrCCCCCCCCBr MCULE-7960475988 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.45 BrCCOCCOCCBr MCULE-9246965046 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.45 C#CCCCCCCCO MCULE-8834112591 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.45 C#CCOCCOCC#C MCULE-7077811036 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.45 C#CCOCCOCCBr MCULE-6472392022 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.45 C#CCOCCOCCI MCULE-9020621576 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.45 C#CCOCCOCCN MCULE-6243178493 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.45 C#CCOCCOCCO MCULE-7562315851 [0,0,0,0,0,0|1,0,1]=2 8 B9R0.45 C(=C\CCCCCO)\CC MCULE-7910166129 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.45 C=CCCCCCCCO MCULE-9611510472 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.45 C=CCOCCOCCO MCULE-8770253790 [0,0,0,0,0,0|1,0,1]=2 11 B9R0.45 CCC=CCCCCCO MCULE-1504274864 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.45 CCCCC/C=C\CCO MCULE-4434068395 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.45 CCCCCC#CCCO MCULE-7189083538 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.45 CCCCCC/C=C/CO MCULE-1969100525 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.45 CCCCCC/C=C\CO MCULE-4688229291 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.45 CCCCCC=CCCO MCULE-4969061256 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.45 CCCCCCC#CCO MCULE-7144291083 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.45 CCCCCCC=CCO MCULE-8666977236 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.45 CCCCCCCCCBr MCULE-1405697483 [0,0,0,0,0,0|4,0,0]=4 20 B9R0.45 CCCCCCCCCC MCULE-6071426098 [0,0,0,0,0,0|4,0,0]=4 21 B9R0.45 CCCCCCCCCCl MCULE-6711902685 [0,0,0,0,0,0|4,0,0]=4 22 B9R0.45 CCCCCCCCCF MCULE-9584148452 [0,0,0,0,0,0|4,0,0]=4 23 B9R0.45 CCCCCCCCCI MCULE-8717337450 [0,0,0,0,0,0|4,0,0]=4 24 B9R0.45 CCCCCCCCCN MCULE-5395407299 [0,0,0,0,0,0|4,0,0]=4 25 B9R0.45 CCCCCCCCCO MCULE-4020281400 [0,0,0,0,0,0|3,0,0]=3 26 B9R0.45 CCCCCCCCCS MCULE-1070515106 [0,0,0,0,0,0|3,1,0]=4 27 B9R0.45 CCCCCCNCCN MCULE-2521807905 [0,0,0,0,0,0|4,0,0]=4 28 B9R0.45 CCCCCCNCCN MCULE-5886608711 [0,0,0,0,0,0|4,0,0]=4 29 B9R0.45 CCCCCCNCCO MCULE-6828996225 [0,0,0,0,0,0|3,0,0]=3 30 B9R0.45 CCCCCCOCCCl MCULE-5675234570 [0,0,0,0,0,0|3,0,0]=3 31 B9R0.45 CCCCCCOCCO MCULE-1339769602 [0,0,0,0,0,0|2,0,0]=2 32 B9R0.45 CCCCCCSCCO MCULE-3331753796 [0,0,0,0,0,0|2,1,0]=3 33 B9R0.45 CCCCCOCCCO MCULE-3048029561 [0,0,0,0,0,0|4,0,0]=4 34 B9R0.45 CCCCNCCCCO MCULE-1748671401 [0,0,0,0,0,0|4,0,0]=4 35 B9R0.45 CCCCOCCCCO MCULE-1926189258 [0,0,0,0,0,0|4,0,0]=4 36 B9R0.45 CCCNCCNCCC MCULE-7703644113 [0,0,0,0,0,0|4,0,0]=4 37 B9R0.45 CCCNCCOCCO MCULE-9598749389 [0,0,0,0,0,0|2,0,0]=2 38 B9R0.45 CCCOCCOCCCl MCULE-1639946093 [0,0,0,0,0,0|2,0,0]=2 39 B9R0.45 CCCOCCOCCO MCULE-8416880348 [0,0,0,0,0,0|1,0,0]=1 40 B9R0.45 COCOCCC#CCO MCULE-3338198117 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.45 ClCCCCCCCCCl MCULE-7522868799 [0,0,0,0,0,0|4,0,0]=4 42 B9R0.45 ClCCOCCOCCCl MCULE-8145037181 [0,0,0,0,0,0|2,0,0]=2 43 B9R0.45 ICCCCCCCCI MCULE-6544838106 [0,0,0,0,0,0|4,0,0]=4 44 B9R0.45 ICCOCCOCCI MCULE-9545477884 [0,0,0,0,0,0|2,0,0]=2 45 B9R0.45 NCCCCCCCCBr MCULE-6623783968 [0,0,0,0,0,0|4,0,0]=4 46 B9R0.45 NCCCCCCCCBr MCULE-9911947498 [0,0,0,0,0,0|4,0,0]=4 47 B9R0.45 NCCCCCCCCN MCULE-1106731228 [0,0,0,0,0,0|4,0,0]=4 48 B9R0.45 NCCCCCCCCN MCULE-9889097856 [0,0,0,0,0,0|4,0,0]=4 49 B9R0.45 NCCCCCCCCO MCULE-1230018398 [0,0,0,0,0,0|3,0,0]=3 50 B9R0.45 NCCNCCCCCO MCULE-7178121419 [0,0,0,0,0,0|3,0,0]=3 51 B9R0.45 NCCNCCCCCO MCULE-8348628451 [0,0,0,0,0,0|3,0,0]=3 52 B9R0.45 NCCNCCNCCN MCULE-2340694217 [0,0,0,0,0,0|4,0,0]=4 53 B9R0.45 NCCNCCNCCN MCULE-3203769500 [0,0,0,0,0,0|4,0,0]=4 54 B9R0.45 NCCNCCNCCN MCULE-7249375457 [0,0,0,0,0,0|4,0,0]=4 55 B9R0.45 NCCNCCNCCN MCULE-7870642259 [0,0,0,0,0,0|4,0,0]=4 56 B9R0.45 NCCNCCNCCN MCULE-9160738646 [0,0,0,0,0,0|4,0,0]=4 57 B9R0.45 NCCNCCNCCO MCULE-6914029155 [0,0,0,0,0,0|3,0,0]=3 58 B9R0.45 NCCNCCOCCO MCULE-4097685062 [0,0,0,0,0,0|2,0,0]=2 59 B9R0.45 NCCOCCOCCN MCULE-5534824970 [0,0,0,0,0,0|2,0,0]=2 60 B9R0.45 NCCOCCOCCO MCULE-4276739250 [0,0,0,0,0,0|1,0,0]=1 61 B9R0.45 OCCC#CC#CCCO MCULE-7998918045 [0,0,0,0,0,0|2,0,2]=4 62 B9R0.45 OCCCCCCCCBr MCULE-2005797184 [0,0,0,0,0,0|3,0,0]=3 63 B9R0.45 OCCCCCCCCCl MCULE-8776830410 [0,0,0,0,0,0|3,0,0]=3 64 B9R0.45 OCCCCCCCCI MCULE-7793639517 [0,0,0,0,0,0|3,0,0]=3 65 B9R0.45 OCCCCCCCCO MCULE-7897417838 [0,0,0,0,0,0|2,0,0]=2 66 B9R0.45 OCCCCCCCCS MCULE-8372814979 [0,0,0,0,0,0|2,1,0]=3 67 B9R0.45 OCCCSSCCCO MCULE-9381854953 [0,0,0,0,0,0|4,0,0]=4 68 B9R0.45 OCCNCCNCCO MCULE-1416647308 [0,0,0,0,0,0|2,0,0]=2 69 B9R0.45 OCCNCCOCCO MCULE-6121228725 [0,0,0,0,0,0|1,0,0]=1 70 B9R0.45 OCCOCCOCCBr MCULE-1007432891 [0,0,0,0,0,0|1,0,0]=1 71 B9R0.45 OCCOCCOCCCl MCULE-5775604504 [0,0,0,0,0,0|1,0,0]=1 72 B9R0.45 OCCOCCOCCF MCULE-9381073862 [0,0,0,0,0,0|1,0,0]=1 73 B9R0.45 OCCOCCOCCO MCULE-2608815184 [0,0,0,0,0,0|0,0,0]=0 74 B9R0.45 OCCOCCOCCO MCULE-7605038595 [0,0,0,0,0,0|0,0,0]=0 75 B9R0.45 OCCOCCOCCS MCULE-9899646316 [0,0,0,0,0,0|0,1,0]=1 76 B9R0.45 OCCSCCSCCO MCULE-4836365698 [0,0,0,0,0,0|0,2,0]=2 77 B9R0.45 SCCCCCCCCS MCULE-5325130158 [0,0,0,0,0,0|2,2,0]=4 78 B9R0.45 SCCOCCOCCS MCULE-5869278368 [0,0,0,0,0,0|0,2,0]=2 79 B9R0.45 SCCSCCSCCS MCULE-3731117649 [0,0,0,0,0,0|0,4,0]=4 80 B8R0.4 BrCCCCCCCBr MCULE-4094304263 [1,0,0,0,0,0|3,0,0]=4 81 B8R0.4 C#CCCCCCCO MCULE-9399870702 [1,0,0,0,0,0|2,0,1]=4 82 B8R0.4 C#CCOCCCCO MCULE-1265233618 [1,0,0,0,0,0|1,0,1]=3 83 B8R0.4 C=CCCCCCCO MCULE-8561904793 [1,0,0,0,0,0|2,0,1]=4 84 B8R0.4 C=CCOCCCCO MCULE-6517087003 [1,0,0,0,0,0|1,0,1]=3 85 B8R0.4 C=COCCOCCO MCULE-3936607633 [1,0,0,0,0,0|0,0,2]=3 86 B8R0.4 CCC=CCCCCO MCULE-2496486842 [1,0,0,0,0,0|2,0,1]=4 87 B8R0.4 CCCC/C=C\CCO MCULE-5021089657 [1,0,0,0,0,0|2,0,1]=4 88 B8R0.4 CCCCC#CCCO MCULE-6156677538 [1,0,0,0,0,0|2,0,1]=4 89 B8R0.4 CCCCC/C=C/CO MCULE-2538979274 [1,0,0,0,0,0|2,0,1]=4 90 B8R0.4 CCCCC=CCCO MCULE-5187523035 [1,0,0,0,0,0|2,0,1]=4 91 B8R0.4 CCCCCC#CCO MCULE-5966258062 [1,0,0,0,0,0|2,0,1]=4 92 B8R0.4 CCCCCC=CCO MCULE-7026544339 [1,0,0,0,0,0|2,0,1]=4 93 B8R0.4 CCCCCCCCBr MCULE-7484248707 [1,0,0,0,0,0|3,0,0]=4 94 B8R0.4 CCCCCCCCC MCULE-1865327912 [1,0,0,0,0,0|3,0,0]=4 95 B8R0.4 CCCCCCCCCl MCULE-5953637232 [1,0,0,0,0,0|3,0,0]=4 96 B8R0.4 CCCCCCCCF MCULE-5641912511 [1,0,0,0,0,0|3,0,0]=4 97 B8R0.4 CCCCCCCCI MCULE-7304806902 [1,0,0,0,0,0|3,0,0]=4 98 B8R0.4 CCCCCCCCN MCULE-6095227778 [1,0,0,0,0,0|3,0,0]=4 99 B8R0.4 CCCCCCCCN MCULE-7012389700 [1,0,0,0,0,0|3,0,0]=4 100 B8R0.4 CCCCCCCCN MCULE-7076053015 [1,0,0,0,0,0|3,0,0]=4 101 B8R0.4 CCCCCCCCO MCULE-2656577895 [1,0,0,0,0,0|2,0,0]=3 102 B8R0.4 CCCCCCCCS MCULE-5212273874 [1,0,0,0,0,0|2,1,0]=4 103 B8R0.4 CCCCCCSCC MCULE-1449428108 [1,0,0,0,0,0|2,1,0]=4 104 B8R0.4 CCCCCNCCC MCULE-7697830316 [1,0,0,0,0,0|3,0,0]=4 105 B8R0.4 CCCCCNCCN MCULE-5873419228 [1,0,0,0,0,0|3,0,0]=4 106 B8R0.4 CCCCCNCCO MCULE-7662965930 [1,0,0,0,0,0|2,0,0]=3 107 B8R0.4 CCCCCNOCC MCULE-5426574695 [1,0,0,0,0,0|3,0,0]=4 108 B8R0.4 CCCCCNOCC MCULE-6155853359 [1,0,0,0,0,0|3,0,0]=4 109 B8R0.4 CCCCCOCCO MCULE-3393695257 [1,0,0,0,0,0|1,0,0]=2 110 B8R0.4 CCCCCSCCCl MCULE-7680431310 [1,0,0,0,0,0|2,1,0]=4 111 B8R0.4 CCCCCSCCO MCULE-1239137782 [1,0,0,0,0,0|1,1,0]=3 112 B8R0.4 CCCCNCCCO MCULE-7171357018 [1,0,0,0,0,0|3,0,0]=4 113 B8R0.4 CCCCOCCCO MCULE-2797403638 [1,0,0,0,0,0|3,0,0]=4 114 B8R0.4 CCCNCCCCN MCULE-1576152293 [1,0,0,0,0,0|3,0,0]=4 115 B8R0.4 CCCNCCCCN MCULE-2764845788 [1,0,0,0,0,0|3,0,0]=4 116 B8R0.4 CCCSCCCCN MCULE-7923615539 [1,0,0,0,0,0|2,1,0]=4 117 B8R0.4 CCNCCCCCN MCULE-1094310455 [1,0,0,0,0,0|3,0,0]=4 118 B8R0.4 CCNCCOCCN MCULE-7419143110 [1,0,0,0,0,0|2,0,0]=3 119 B8R0.4 CCNCCOCCO MCULE-3581305931 [1,0,0,0,0,0|1,0,0]=2 120 B8R0.4 CCOCCOCC=O MCULE-4431979706 [1,0,0,0,0,0|0,0,2]=3 121 B8R0.4 CCOCCOCCBr MCULE-9030593043 [1,0,0,0,0,0|1,0,0]=2 122 B8R0.4 CCOCCOCCCl MCULE-5739255923 [1,0,0,0,0,0|1,0,0]=2 123 B8R0.4 CCOCCOCCN MCULE-5375263489 [1,0,0,0,0,0|1,0,0]=2 124 B8R0.4 CCOCCOCCN MCULE-5713936875 [1,0,0,0,0,0|1,0,0]=2 125 B8R0.4 CCOCCOCCO MCULE-8940886567 [1,0,0,0,0,0|0,0,0]=1 126 B8R0.4 CCSCCOCCO MCULE-6785870605 [1,0,0,0,0,0|0,1,0]=2 127 B8R0.4 CNCCCCCCO MCULE-2582847385 [1,0,0,0,0,0|3,0,0]=4 128 B8R0.4 COCCCCCCO MCULE-5454628686 [1,0,0,0,0,0|3,0,0]=4 129 B8R0.4 COCCCNCCO MCULE-3069731145 [1,0,0,0,0,0|3,0,0]=4 130 B8R0.4 COCCCOCCO MCULE-7280677606 [1,0,0,0,0,0|2,0,0]=3 131 B8R0.4 CSCCCCCCO MCULE-1590282643 [1,0,0,0,0,0|3,0,0]=4 132 B8R0.4 ClCCCCCCCBr MCULE-6518226792 [1,0,0,0,0,0|3,0,0]=4 133 B8R0.4 ClCCCCCCCCl MCULE-9270407250 [1,0,0,0,0,0|3,0,0]=4 134 B8R0.4 ClCCOCOCCCl MCULE-4495786382 [1,0,0,0,0,0|2,0,0]=3 135 B8R0.4 N#N=NCCOCCO MCULE-5487184531 [1,0,0,0,0,0|3,0,0]=4 136 B8R0.4 NCCCCCCCBr MCULE-2103124315 [1,0,0,0,0,0|3,0,0]=4 137 B8R0.4 NCCCCCCCBr MCULE-9591138313 [1,0,0,0,0,0|3,0,0]=4 138 B8R0.4 NCCCCCCCN MCULE-3408586405 [1,0,0,0,0,0|3,0,0]=4 139 B8R0.4 NCCCCCCCO MCULE-6098435698 [1,0,0,0,0,0|2,0,0]=3 140 B8R0.4 NCCCCCCCO MCULE-8352830275 [1,0,0,0,0,0|2,0,0]=3 141 B8R0.4 NCCCCNCCO MCULE-5679490980 [1,0,0,0,0,0|2,0,0]=3 142 B8R0.4 NCCCNCCCO MCULE-1085206494 [1,0,0,0,0,0|3,0,0]=4 143 B8R0.4 NCCCOCCCO MCULE-9489688996 [1,0,0,0,0,0|3,0,0]=4 144 B8R0.4 NCCNCCCCO MCULE-1668134399 [1,0,0,0,0,0|2,0,0]=3 145 B8R0.4 NCCNCCCCO MCULE-8060063829 [1,0,0,0,0,0|2,0,0]=3 146 B8R0.4 OCCCCCCCBr MCULE-2559114853 [1,0,0,0,0,0|2,0,0]=3 147 B8R0.4 OCCCCCCCCl MCULE-4143586059 [1,0,0,0,0,0|2,0,0]=3 148 B8R0.4 OCCCCCCCI MCULE-3420024644 [1,0,0,0,0,0|2,0,0]=3 149 B8R0.4 OCCCCCCCO MCULE-1201837142 [1,0,0,0,0,0|1,0,0]=2 150 B8R0.4 OCCCNCCCO MCULE-1813882908 [1,0,0,0,0,0|2,0,0]=3 151 B8R0.4 OCCCNCCCO MCULE-4567401301 [1,0,0,0,0,0|2,0,0]=3 152 B8R0.4 OCCCOCCCCl MCULE-9999003892 [1,0,0,0,0,0|3,0,0]=4 153 B8R0.4 OCCCOCCCO MCULE-2894245516 [1,0,0,0,0,0|2,0,0]=3 154 B8R0.4 OCCCSCCCO MCULE-2025331376 [1,0,0,0,0,0|2,0,0]=3 155 B8R0.4 OCCSCSCCO MCULE-5909808862 [1,0,0,0,0,0|0,2,0]=3 156 B10R0.1 CCCCCCC(C)CCO MCULE-7361079557 [0,1,0,0,0,0|3,0,0]=4 157 B10R0.1 CCCCCCC(O)CCO MCULE-4512993407 [0,1,0,0,0,0|3,0,0]=4 158 B10R0.1 CN(CCN)CCOCCO MCULE-6859225182 [0,1,0,0,0,0|2,0,0]=3 159 B10R0.4 C#CCOCCOCC(=O)O MCULE-2117769924 [0,1,0,0,0,0|1,0,2]=4 160 B10R0.4 C=CCOCCOCC(=O)O MCULE-8100852333 [0,1,0,0,0,0|1,0,2]=4 161 B10R0.4 C=CCOCCOCC(C)C MCULE-3979163974 [0,1,0,0,0,0|2,0,1]=4 162 B10R0.4 CC(C)CCCCCCCO MCULE-6712139024 [0,1,0,0,0,0|3,0,0]=4 163 B10R0.4 CC(C)COCCOCC=O MCULE-5148881220 [0,1,0,0,0,0|1,0,2]=4 164 B10R0.4 CC(O)COCCOCCO MCULE-2801259384 [0,1,0,0,0,0|0,0,0]=1 165 B10R0.4 CCCCCCCCC(C)O MCULE-3577613701 [0,1,0,0,0,0|3,0,0]=4 166 B10R0.4 CCCCCCCC[C@@H](C)O MCULE-6511994487 [0,1,0,0,0,0|3,0,0]=4 167 B10R0.4 CCCCCCCC[C@H](C)O MCULE-7200709868 [0,1,0,0,0,0|3,0,0]=4 168 B10R0.4 CCCCCCNCC(C)O MCULE-5617215322 [0,1,0,0,0,0|3,0,0]=4 169 B10R0.4 CCCCCCOCC(=O)O MCULE-6951993364 [0,1,0,0,0,0|2,0,1]=4 170 B10R0.4 NCCOCCOCC(=O)O MCULE-8111157626 [0,1,0,0,0,0|1,0,1]=3 171 B10R0.4 NCCOCCOCC(=O)O MCULE-9455562840 [0,1,0,0,0,0|1,0,1]=3 172 B10R0.4 O=C(O)CCCCCCCO MCULE-1839591073 [0,1,0,0,0,0|2,0,1]=4 173 B10R0.4 O=C(O)COCCOCCCl MCULE-2275317201 [0,1,0,0,0,0|1,0,1]=3 174 B10R0.4 O=C(O)COCCOCCO MCULE-1507756107 [0,1,0,0,0,0|0,0,1]=2 175 B10R0.4 O=C([O-])COCCOCCO MCULE-7695579733 [0,1,0,0,0,0|0,0,2]=3 176 B10R0.4 OCCOCCOCC(F)F MCULE-6284375688 [0,1,0,0,0,0|1,0,0]=2 177 B10R0.4 [C@H](C)(O)CCCCCCCC MCULE-7849954701 [0,1,0,0,0,0|3,0,0]=4 178 B10R0.71 C#CCCCCCCCCO MCULE-1465013673 [0,1,0,0,0,0|3,0,0]=4 179 B10R0.71 C#CCOCCCCCCO MCULE-6480387579 [0,1,0,0,0,0|2,0,1]=4 180 B10R0.71 C#CCOCCOCCNC MCULE-3345317538 [0,1,0,0,0,0|2,0,1]=4 181 B10R0.71 C#CCOCCOCCOC MCULE-3357196470 [0,1,0,0,0,0|1,0,1]=3 182 B10R0.71 C#CCOCCSSCCO MCULE-9848595121 [0,1,0,0,0,0|1,1,1]=4 183 B10R0.71 C=CCCCCCCCCO MCULE-1808688008 [0,1,0,0,0,0|3,0,0]=4 184 B10R0.71 C=CCOCCOCCOC MCULE-4173919087 [0,1,0,0,0,0|1,0,1]=3 185 B10R0.71 CCCCCCC#CCCO MCULE-5377358049 [0,1,0,0,0,0|3,0,0]=4 186 B10R0.71 CCCCCCC=CCCO MCULE-7637000822 [0,1,0,0,0,0|3,0,0]=4 187 B10R0.71 CCCCCCCCCCO MCULE-7579570663 [0,1,0,0,0,0|3,0,0]=4 188 B10R0.71 CCCCCCCCCOC MCULE-3906263885 [0,1,0,0,0,0|3,0,0]=4 189 B10R0.71 CCCCCCCCCON MCULE-2563186433 [0,1,0,0,0,0|3,0,0]=4 190 B10R0.71 CCCCCCCOCCCl MCULE-9608529645 [0,1,0,0,0,0|3,0,0]=4 191 B10R0.71 CCCCCCCOCCO MCULE-4391734532 [0,1,0,0,0,0|2,0,0]=3 192 B10R0.71 CCCCCCCOCCS MCULE-8215096371 [0,1,0,0,0,0|2,1,0]=4 193 B10R0.71 CCCCCCCSCCO MCULE-5713036847 [0,1,0,0,0,0|2,1,0]=4 194 B10R0.71 CCCCNCCOCCO MCULE-6722908845 [0,1,0,0,0,0|2,0,0]=3 195 B10R0.71 CCCCOCCOCCCl MCULE-8993573654 [0,1,0,0,0,0|2,0,0]=3 196 B10R0.71 CCCCOCCOCCN MCULE-5064402317 [0,1,0,0,0,0|2,0,0]=3 197 B10R0.71 CCCCOCCOCCO MCULE-9776383171 [0,1,0,0,0,0|1,0,0]=2 198 B10R0.71 CCCCOCCOCCS MCULE-8185433281 [0,1,0,0,0,0|1,1,0]=3 199 B10R0.71 CCCCOCCSCCO MCULE-1950831912 [0,1,0,0,0,0|1,1,0]=3 200 B10R0.71 CCCCSCCOCCO MCULE-8485842279 [0,1,0,0,0,0|1,1,0]=3 201 B10R0.71 CNCCOCCOCCO MCULE-6753260555 [0,1,0,0,0,0|1,0,0]=2 202 B10R0.71 COCCCCCCCCO MCULE-1529283698 [0,1,0,0,0,0|2,0,0]=3 203 B10R0.71 COCCNCCOCCO MCULE-7833678560 [0,1,0,0,0,0|1,0,0]=2 204 B10R0.71 COCCOCCNCCO MCULE-9204808579 [0,1,0,0,0,0|1,0,0]=2 205 B10R0.71 COCCOCCOCCBr MCULE-4310662958 [0,1,0,0,0,0|1,0,0]=2 206 B10R0.71 COCCOCCOCCCl MCULE-7124897317 [0,1,0,0,0,0|1,0,0]=2 207 B10R0.71 COCCOCCOCCI MCULE-2850882764 [0,1,0,0,0,0|1,0,0]=2 208 B10R0.71 COCCOCCOCCN MCULE-4566205288 [0,1,0,0,0,0|1,0,0]=2 209 B10R0.71 COCCOCCOCCO MCULE-3334704047 [0,1,0,0,0,0|0,0,0]=1 210 B10R0.71 COCCOCCOCCO MCULE-6363212516 [0,1,0,0,0,0|0,0,0]=1 211 B10R0.71 COCCOCCOCCS MCULE-3914851079 [0,1,0,0,0,0|0,1,0]=2 212 B10R0.71 N#CCCOCCOCCO MCULE-8456706630 [0,1,0,0,0,0|1,0,0]=2 213 B10R0.71 NCCCCCCCCCO MCULE-2359018291 [0,1,0,0,0,0|3,0,0]=4 214 B10R0.71 NCCCOCCOCCO MCULE-7907321960 [0,1,0,0,0,0|1,0,0]=2 215 B10R0.71 OCCCCCCCCCBr MCULE-7708976482 [0,1,0,0,0,0|3,0,0]=4 216 B10R0.71 OCCCCCCCCCCl MCULE-4637398536 [0,1,0,0,0,0|3,0,0]=4 217 B10R0.71 OCCCCCCCCCI MCULE-6281256155 [0,1,0,0,0,0|3,0,0]=4 218 B10R0.71 OCCCCCCCCCO MCULE-3258442969 [0,1,0,0,0,0|2,0,0]=3 219 B10R0.71 OCCCCCCCCCS MCULE-3447886598 [0,1,0,0,0,0|2,1,0]=4 220 B10R0.71 OCCCCCCOCCO MCULE-5642986797 [0,1,0,0,0,0|1,0,0]=2 221 B10R0.71 OCCCCNCCCCO MCULE-8546417896 [0,1,0,0,0,0|2,0,0]=3 222 B10R0.71 OCCCCOCCCCO MCULE-7966192236 [0,1,0,0,0,0|2,0,0]=3 223 B10R0.71 OCCNCCCNCCO MCULE-4947483385 [0,1,0,0,0,0|2,0,0]=3 224 B10R0.71 OCCOCCCCCCCl MCULE-3240737723 [0,1,0,0,0,0|2,0,0]=3 225 B10R0.71 OCCOCCCOCCO MCULE-2542284034 [0,1,0,0,0,0|0,0,0]=1 226 B10R0.71 OCCSCCCSCCO MCULE-8436430150 [0,1,0,0,0,0|0,2,0]=3 227 B10R0.74 CC(CCl)OCCOCCCl MCULE-4846263899 [0,1,0,0,0,0|2,0,0]=3 228 B10R0.74 CCCCCCCC(O)CO MCULE-4511310759 [0,1,0,0,0,0|3,0,0]=4 229 B10R0.74 O=C(CCl)OCCOCCCl MCULE-8624079854 [0,1,0,0,0,0|2,0,1]=4 230 B10R0.74 OCCCCCCC(O)CO MCULE-1673794211 [0,1,0,0,0,0|2,0,0]=3 231 B10R0.91 CC(CSCCO)SCCO MCULE-6211738569 [0,1,0,0,0,0|0,2,0]=3 232 B10R0.91 CCCCC(C)CCCCO MCULE-9256284581 [0,1,0,0,0,0|3,0,0]=4 233 B10R0.91 CCCCCC(C)CCCO MCULE-6947023752 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.4 CC1CCCCN1CCO MCULE-3413721569 [0,0,0,1,0,0|3,0,0]=4 235 B10R1.4 CC1CNCCN1CCO MCULE-8915999542 [0,0,0,1,0,0|3,0,0]=4 236 B10R1.4 CC1COCCN1CCBr MCULE-3453130108 [0,0,0,1,0,0|3,0,0]=4 237 B10R1.4 CC1COCCN1CCBr MCULE-4077694065 [0,0,0,1,0,0|3,0,0]=4 238 B10R1.4 CC1COCCN1CCN MCULE-3508811259 [0,0,0,1,0,0|3,0,0]=4 239 B10R1.4 CC1COCCN1CCO MCULE-1077858112 [0,0,0,1,0,0|2,0,0]=3 240 B10R1.4 CCCC1CCCCC1O MCULE-7446006713 [0,0,0,1,0,0|3,0,0]=4 241 B10R1.4 O=C1COCCN1CCO MCULE-6327231179 [0,0,0,1,0,0|1,0,2]=4 242 B10R1.5 NCCN1CCCC1CO MCULE-8553167204 [0,0,0,1,0,0|3,0,0]=4 243 B10R1.5 NCCN1CCC[C@H]1CO MCULE-7904793777 [0,0,0,1,0,0|3,0,0]=4 244 B10R1.7 NC1CCCCCCC1O MCULE-9142911119 [0,0,0,1,0,0|3,0,0]=4 245 B10R1.7 N[C@@H]1CCCCCC[C@@H]1O MCULE-1728493798 [0,0,0,1,0,0|3,0,0]=4 246 B10R1.7 N[C@@H]1CCCCCC[C@H]1O MCULE-8702565765 [0,0,0,1,0,0|3,0,0]=4 247 B10R1.7 N[C@H]1CCCCCC[C@@H]1O MCULE-4894585058 [0,0,0,1,0,0|3,0,0]=4 248 B10R1.7 N[C@H]1CCCCCC[C@H]1O MCULE-3214389652 [0,0,0,1,0,0|3,0,0]=4 249 B10R1.7 OC1CCCCCCC1O MCULE-4573160076 [0,0,0,1,0,0|2,0,0]=3 250 B10R1.7 O[C@H]1CCCCCC[C@H]1O MCULE-3578348851 [0,0,0,1,0,0|2,0,0]=3 251 B10R1.17 BrCCOC1CCCCC1 MCULE-5702602298 [0,0,0,1,0,0|3,0,0]=4 252 B10R1.17 BrCCOC1CCCCO1 MCULE-2118304118 [0,0,0,1,0,0|2,0,0]=3 253 B10R1.17 BrCCOC1CCCOC1 MCULE-6356365455 [0,0,0,1,0,0|2,0,0]=3 254 B10R1.17 C#CCOC1CCCCO1 MCULE-6998803250 [0,0,0,1,0,0|2,0,1]=4 255 B10R1.17 C1(CCCCO1)OCC=C MCULE-8969392996 [0,0,0,1,0,0|2,0,1]=4 256 B10R1.17 CCCOC1CCCCO1 MCULE-5501679825 [0,0,0,1,0,0|2,0,0]=3 257 B10R1.17 CCCOC1CCCNC1 MCULE-4615732684 [0,0,0,1,0,0|3,0,0]=4 258 B10R1.17 CCNCC1COCCO1 MCULE-7149587694 [0,0,0,1,0,0|3,0,0]=4 259 B10R1.17 CCNCC1COCCO1 MCULE-9004642326 [0,0,0,1,0,0|3,0,0]=4 260 B10R1.17 ClCCOC1CCCCC1 MCULE-1592615613 [0,0,0,1,0,0|3,0,0]=4 261 B10R1.17 ClCCOC1CCCCO1 MCULE-4594984363 [0,0,0,1,0,0|2,0,0]=3 262 B10R1.17 FCCOC1CCCNC1 MCULE-1469695979 [0,0,0,1,0,0|3,0,0]=4 263 B10R1.17 FCCOC1CCCNC1 MCULE-2892370994 [0,0,0,1,0,0|3,0,0]=4 264 B10R1.17 N#CCOC1CCCCO1 MCULE-4869535681 [0,0,0,1,0,0|2,0,1]=4 265 B10R1.17 NCCCC1CCCCO1 MCULE-8380034501 [0,0,0,1,0,0|3,0,0]=4 266 B10R1.17 NCCOC1CCCCC1 MCULE-6094788525 [0,0,0,1,0,0|3,0,0]=4 267 B10R1.17 NCCOC1CCCCC1 MCULE-7825800002 [0,0,0,1,0,0|3,0,0]=4 268 B10R1.17 NCCOC1CCCCO1 MCULE-5428900017 [0,0,0,1,0,0|2,0,0]=3 269 B10R1.17 O=CCOC1CCCCO1 MCULE-5185852140 [0,0,0,1,0,0|1,0,2]=4 270 B10R1.17 OCCCC1CCCCC1 MCULE-6307495993 [0,0,0,1,0,0|3,0,0]=4 271 B10R1.17 OCCCC1CCCCN1 MCULE-4753823032 [0,0,0,1,0,0|3,0,0]=4 272 B10R1.17 OCCCC1CCCCN1 MCULE-7684357711 [0,0,0,1,0,0|3,0,0]=4 273 B10R1.17 OCCCC1CCCCO1 MCULE-8974781617 [0,0,0,1,0,0|2,0,0]=3 274 B10R1.17 OCCCC1CCCNC1 MCULE-5587440064 [0,0,0,1,0,0|3,0,0]=4 275 B10R1.17 OCCCC1COCCN1 MCULE-9098893478 [0,0,0,1,0,0|2,0,0]=3 276 B10R1.17 OCCNC1CCCCC1 MCULE-7503084631 [0,0,0,1,0,0|3,0,0]=4 277 B10R1.17 OCCNC1CCCSC1 MCULE-1081530361 [0,0,0,1,0,0|2,1,0]=4 278 B10R1.17 OCCNC1CCCSC1 MCULE-1542564940 [0,0,0,1,0,0|2,1,0]=4 279 B10R1.17 OCCOC1CCCCC1 MCULE-9282353409 [0,0,0,1,0,0|2,0,0]=3 280 B10R1.17 OCCOC1CCCCO1 MCULE-1557608362 [0,0,0,1,0,0|1,0,0]=2 281 B10R1.17 OCCOC1CCCNC1 MCULE-7362774206 [0,0,0,1,0,0|2,0,0]=3 282 B10R1.17 OCCOC1CCCNC1 MCULE-8501316048 [0,0,0,1,0,0|2,0,0]=3 283 B10R1.17 OCCOC1CCNCC1 MCULE-4503750133 [0,0,0,1,0,0|3,0,0]=4 284 B10R1.17 OCCOC1CCOCC1 MCULE-1971491679 [0,0,0,1,0,0|3,0,0]=4 285 B10R1.17 OCCOC1CCSCC1 MCULE-9829521375 [0,0,0,1,0,0|3,0,0]=4 286 B10R1.19 NC1CCCCCC1CO MCULE-2803910179 [0,0,0,1,0,0|3,0,0]=4 287 B10R1.20 OCC1CCCCC1CO MCULE-8066977999 [0,0,0,1,0,0|2,0,0]=3 288 B10R1.20 OC[C@@H]1CCCC[C@H]1CO MCULE-2394544180 [0,0,0,1,0,0|2,0,0]=3 289 B10R1.20 OC[C@@H]1CCCC[C@H]1CO MCULE-2693534916 [0,0,0,1,0,0|2,0,0]=3 290 B10R1.20 OC[C@H]1CCCC[C@@H]1CO MCULE-3855557555 [0,0,0,1,0,0|2,0,0]=3 291 B10R1.20 OC[C@H]1CCCC[C@@H]1CO MCULE-5406023810 [0,0,0,1,0,0|2,0,0]=3 292 B10R1.20 OC[C@H]1CCCC[C@@H]1CO MCULE-9792878219 [0,0,0,1,0,0|2,0,0]=3 293 B10R1.20 OC[C@H]1CCCC[C@H]1CO MCULE-3342954422 [0,0,0,1,0,0|2,0,0]=3 294 B10R1.21 BrCCCCC1OCCO1 MCULE-5596168189 [0,0,0,1,0,0|2,0,0]=3 295 B10R1.21 BrCCOCC1CCCC1 MCULE-4073613841 [0,0,0,1,0,0|3,0,0]=4 296 B10R1.21 BrCCOCC1CCCO1 MCULE-6032960473 [0,0,0,1,0,0|2,0,0]=3 297 B10R1.21 CCCCCC1OCCO1 MCULE-1814222548 [0,0,0,1,0,0|2,0,0]=3 298 B10R1.21 CCCNCC1CCCO1 MCULE-4700464282 [0,0,0,1,0,0|3,0,0]=4 299 B10R1.21 ClCCCCC1OCCO1 MCULE-1155780429 [0,0,0,1,0,0|2,0,0]=3 300 B10R1.21 N#CCOCC1CCCO1 MCULE-2674308612 [0,0,0,1,0,0|2,0,1]=4 301 B10R1.21 NCCCCC1CCCO1 MCULE-5459645657 [0,0,0,1,0,0|3,0,0]=4 302 B10R1.21 NCCCCC1CCCO1 MCULE-7012525648 [0,0,0,1,0,0|3,0,0]=4 303 B10R1.21 NCCOCC1CCCC1 MCULE-7557950609 [0,0,0,1,0,0|3,0,0]=4 304 B10R1.21 NCCOCC1CCCO1 MCULE-5163818680 [0,0,0,1,0,0|2,0,0]=3 305 B10R1.21 O=CCCCC1OCCO1 MCULE-3822312994 [0,0,0,1,0,0|1,0,2]=4 306 B10R1.21 OCCCCC1CCCC1 MCULE-2531889942 [0,0,0,1,0,0|3,0,0]=4 307 B10R1.21 OCCCCC1CCCO1 MCULE-4507968926 [0,0,0,1,0,0|2,0,0]=3 308 B10R1.21 OCCNCC1CCCO1 MCULE-5017604442 [0,0,0,1,0,0|2,0,0]=3 309 B10R1.21 OCCOCC1CCCC1 MCULE-2133060843 [0,0,0,1,0,0|2,0,0]=3 310 B10R1.21 OCCOCC1CCCO1 MCULE-1255323328 [0,0,0,1,0,0|1,0,0]=2 311 B10R1.29 C=CCN[C@H]1COC[C@@H]1O MCULE-1227451377 [0,0,0,1,0,0|2,0,1]=4 312 B10R1.29 CC1CCCC1NCCO MCULE-3863073293 [0,0,0,1,0,0|3,0,0]=4 313 B10R1.29 COCOC1CCCC1O MCULE-2134638188 [0,0,0,1,0,0|3,0,0]=4 314 B10R1.29 ClCCOC1CCCC1Cl MCULE-1858166642 [0,0,0,1,0,0|3,0,0]=4 315 B10R1.29 NCCCC1CCCC1O MCULE-3919877654 [0,0,0,1,0,0|3,0,0]=4 316 B10R1.85 BrCCN1CCCOCC1 MCULE-7584035395 [0,0,0,1,0,0|3,0,0]=4 317 B10R1.85 BrCCN1CCCOCC1 MCULE-9341479214 [0,0,0,1,0,0|3,0,0]=4 318 B10R1.85 NCCN1CCCOCC1 MCULE-9147450831 [0,0,0,1,0,0|3,0,0]=4 319 B10R1.85 OCCC1CCCCCC1 MCULE-9936994835 [0,0,0,1,0,0|3,0,0]=4 320 B10R1.85 OCCC1CCCCCN1 MCULE-7960769906 [0,0,0,1,0,0|3,0,0]=4 321 B10R1.85 OCCC1CCCCCN1 MCULE-8951609776 [0,0,0,1,0,0|3,0,0]=4 322 B10R1.85 OCCC1CCCNCC1 MCULE-1518082087 [0,0,0,1,0,0|3,0,0]=4 323 B10R1.85 OCCN1CCCCCC1 MCULE-5823768484 [0,0,0,1,0,0|3,0,0]=4 324 B10R1.85 OCCN1CCCNCC1 MCULE-2939542348 [0,0,0,1,0,0|3,0,0]=4 325 B10R1.85 OCCN1CCCOCC1 MCULE-4467451576 [0,0,0,1,0,0|2,0,0]=3 326 B10R1.161 BrCC1OCCCCCO1 MCULE-3056414225 [0,0,0,1,0,0|2,0,0]=3 327 B10R1.161 OCC1CCCCCCC1 MCULE-1512335429 [0,0,0,1,0,0|3,0,0]=4 328 B10R1.177 BrCCCCCCC1CO1 MCULE-4242614416 [0,0,0,1,0,0|3,0,0]=4 329 B7R0.1 BrCCCCCCBr MCULE-5187406804 [2,0,0,0,0,0|2,0,0]=4 330 B7R0.1 C#CCCCCCO MCULE-2909503471 [2,0,0,0,0,0|1,0,1]=4 331 B7R0.1 C#CCOCCCO MCULE-2600818859 [2,0,0,0,0,0|1,0,1]=4 332 B7R0.1 C#CCOCCOC MCULE-4660359112 [2,0,0,0,0,0|1,0,1]=4 333 B7R0.1 C=CCCCCCO MCULE-1200112990 [2,0,0,0,0,0|1,0,1]=4 334 B7R0.1 C=CCCOCCO MCULE-5369849290 [2,0,0,0,0,0|0,0,2]=4 335 B7R0.1 C=CCOCCCC MCULE-2214755289 [2,0,0,0,0,0|1,0,1]=4 336 B7R0.1 C=CCOCCOC MCULE-7363927527 [2,0,0,0,0,0|1,0,1]=4 337 B7R0.1 C=COCCCCO MCULE-3537265926 [2,0,0,0,0,0|0,0,2]=4 338 B7R0.1 CC#CCCCCO MCULE-8668355627 [2,0,0,0,0,0|1,0,1]=4 339 B7R0.1 CC/C=C\CCCO MCULE-7890119012 [2,0,0,0,0,0|1,0,1]=4 340 B7R0.1 CC=CCCCCO MCULE-8707373340 [2,0,0,0,0,0|1,0,1]=4 341 B7R0.1 CCC#CCOCC MCULE-8576147807 [2,0,0,0,0,0|1,0,1]=4 342 B7R0.1 CCC=CCCCO MCULE-9620732691 [2,0,0,0,0,0|1,0,1]=4 343 B7R0.1 CCCC#CCCO MCULE-7581204382 [2,0,0,0,0,0|1,0,1]=4 344 B7R0.1 CCCC/C=C/CO MCULE-5404793542 [2,0,0,0,0,0|1,0,1]=4 345 B7R0.1 CCCCC#CCO MCULE-9057096480 [2,0,0,0,0,0|1,0,1]=4 346 B7R0.1 CCCCC=CCO MCULE-7891403223 [2,0,0,0,0,0|1,0,1]=4 347 B7R0.1 CCCCCCCBr MCULE-8042829299 [2,0,0,0,0,0|2,0,0]=4 348 B7R0.1 CCCCCCCC MCULE-3248084959 [2,0,0,0,0,0|2,0,0]=4 349 B7R0.1 CCCCCCCCl MCULE-6286146566 [2,0,0,0,0,0|2,0,0]=4 350 B7R0.1 CCCCCCCF MCULE-9794868174 [2,0,0,0,0,0|2,0,0]=4 351 B7R0.1 CCCCCCCI MCULE-2930393920 [2,0,0,0,0,0|2,0,0]=4 352 B7R0.1 CCCCCCCN MCULE-1126747714 [2,0,0,0,0,0|2,0,0]=4 353 B7R0.1 CCCCCCCO MCULE-5882959353 [2,0,0,0,0,0|1,0,0]=3 354 B7R0.1 CCCCCCCS MCULE-3901364910 [2,0,0,0,0,0|1,1,0]=4 355 B7R0.1 CCCCCCNO MCULE-4175875706 [2,0,0,0,0,0|2,0,0]=4 356 B7R0.1 CCCCCCNO MCULE-8719557426 [2,0,0,0,0,0|2,0,0]=4 357 B7R0.1 CCCCCCOC MCULE-7148964901 [2,0,0,0,0,0|2,0,0]=4 358 B7R0.1 CCCCCOCC MCULE-6346670527 [2,0,0,0,0,0|1,0,0]=3 359 B7R0.1 CCCCNCCC MCULE-6342731867 [2,0,0,0,0,0|2,0,0]=4 360 B7R0.1 CCCCNCCN MCULE-3865190511 [2,0,0,0,0,0|2,0,0]=4 361 B7R0.1 CCCCNCCO MCULE-3582031814 [2,0,0,0,0,0|1,0,0]=3 362 B7R0.1 CCCCNCCS MCULE-6926403617 [2,0,0,0,0,0|1,1,0]=4 363 B7R0.1 CCCCOCCBr MCULE-5314812532 [2,0,0,0,0,0|1,0,0]=3 364 B7R0.1 CCCCOCCCl MCULE-9147804479 [2,0,0,0,0,0|1,0,0]=3 365 B7R0.1 CCCCOCCI MCULE-3571589392 [2,0,0,0,0,0|1,0,0]=3 366 B7R0.1 CCCCOCCN MCULE-1817743996 [2,0,0,0,0,0|1,0,0]=3 367 B7R0.1 CCCCOCCN MCULE-3658840205 [2,0,0,0,0,0|1,0,0]=3 368 B7R0.1 CCCCOCCO MCULE-1727546427 [2,0,0,0,0,0|0,0,0]=2 369 B7R0.1 CCCCOCCO MCULE-4417721312 [2,0,0,0,0,0|0,0,0]=2 370 B7R0.1 CCCCOCCS MCULE-7419398753 [2,0,0,0,0,0|0,1,0]=3 371 B7R0.1 CCCCSCCC MCULE-3137952516 [2,0,0,0,0,0|1,1,0]=4 372 B7R0.1 CCCCSCCN MCULE-3521818954 [2,0,0,0,0,0|1,1,0]=4 373 B7R0.1 CCCCSCCN MCULE-5281011566 [2,0,0,0,0,0|1,1,0]=4 374 B7R0.1 CCCCSCCO MCULE-8791357083 [2,0,0,0,0,0|0,1,0]=3 375 B7R0.1 CCCCSCCS MCULE-4109311315 [2,0,0,0,0,0|0,2,0]=4 376 B7R0.1 CCCNCCCO MCULE-4366982860 [2,0,0,0,0,0|2,0,0]=4 377 B7R0.1 CCCNCCOC MCULE-4425567647 [2,0,0,0,0,0|2,0,0]=4 378 B7R0.1 CCCOCCCN MCULE-5875738973 [2,0,0,0,0,0|2,0,0]=4 379 B7R0.1 CCNCCCCO MCULE-4851249509 [2,0,0,0,0,0|1,0,0]=3 380 B7R0.1 CCNCCNCC MCULE-2663126630 [2,0,0,0,0,0|2,0,0]=4 381 B7R0.1 CCNCCNCC MCULE-8627955138 [2,0,0,0,0,0|2,0,0]=4 382 B7R0.1 CCNCCNCC MCULE-9858982602 [2,0,0,0,0,0|2,0,0]=4 383 B7R0.1 CCNCCOCC MCULE-8895991816 [2,0,0,0,0,0|1,0,0]=3 384 B7R0.1 CCOCCCC#N MCULE-6256619755 [2,0,0,0,0,0|1,0,1]=4 385 B7R0.1 CCOCCCCN MCULE-6583734908 [2,0,0,0,0,0|1,0,0]=3 386 B7R0.1 CCOCCCCO MCULE-9986213119 [2,0,0,0,0,0|0,0,0]=2 387 B7R0.1 CCOCCOCC MCULE-5593873009 [2,0,0,0,0,0|0,0,0]=2 388 B7R0.1 CCSCCCCN MCULE-7961306984 [2,0,0,0,0,0|1,1,0]=4 389 B7R0.1 CCSCCCCO MCULE-1712194349 [2,0,0,0,0,0|0,1,0]=3 390 B7R0.1 CCSCCSCC MCULE-2178899960 [2,0,0,0,0,0|0,2,0]=4 391 B7R0.1 CNCCCCCO MCULE-2988249730 [2,0,0,0,0,0|2,0,0]=4 392 B7R0.1 CNCCCCCO MCULE-8033733525 [2,0,0,0,0,0|2,0,0]=4 393 B7R0.1 CNCCOCCCl MCULE-4700720996 [2,0,0,0,0,0|2,0,0]=4 394 B7R0.1 CNCCOCCCl MCULE-6741879544 [2,0,0,0,0,0|2,0,0]=4 395 B7R0.1 CNCCOCCN MCULE-8077914280 [2,0,0,0,0,0|2,0,0]=4 396 B7R0.1 CNCCOCCO MCULE-7869540361 [2,0,0,0,0,0|1,0,0]=3 397 B7R0.1 COCCCCCBr MCULE-9843465236 [2,0,0,0,0,0|2,0,0]=4 398 B7R0.1 COCCCCCCl MCULE-6956815361 [2,0,0,0,0,0|2,0,0]=4 399 B7R0.1 COCCCCCN MCULE-2109050097 [2,0,0,0,0,0|2,0,0]=4 400 B7R0.1 COCCCCCO MCULE-6003118644 [2,0,0,0,0,0|1,0,0]=3 401 B7R0.1 COCCNCCF MCULE-1482164073 [2,0,0,0,0,0|2,0,0]=4 402 B7R0.1 COCCNCCF MCULE-4419696614 [2,0,0,0,0,0|2,0,0]=4 403 B7R0.1 COCCNCCN MCULE-4860380919 [2,0,0,0,0,0|2,0,0]=4 404 B7R0.1 COCCNCCN MCULE-8558629867 [2,0,0,0,0,0|2,0,0]=4 405 B7R0.1 COCCNCCO MCULE-3082225541 [2,0,0,0,0,0|1,0,0]=3 406 B7R0.1 COCCOCC#N MCULE-9585469959 [2,0,0,0,0,0|1,0,1]=4 407 B7R0.1 COCCOCC=O MCULE-2621317944 [2,0,0,0,0,0|0,0,2]=4 408 B7R0.1 COCCOCCBr MCULE-7766640443 [2,0,0,0,0,0|1,0,0]=3 409 B7R0.1 COCCOCCCl MCULE-5502842762 [2,0,0,0,0,0|1,0,0]=3 410 B7R0.1 COCCOCCI MCULE-4051748367 [2,0,0,0,0,0|1,0,0]=3 411 B7R0.1 COCCOCCN MCULE-7016705271 [2,0,0,0,0,0|1,0,0]=3 412 B7R0.1 COCCOCCO MCULE-4230242952 [2,0,0,0,0,0|0,0,0]=2 413 B7R0.1 COCCOCCS MCULE-5015015605 [2,0,0,0,0,0|0,1,0]=3 414 B7R0.1 COCCSCCO MCULE-5057235828 [2,0,0,0,0,0|0,1,0]=3 415 B7R0.1 CSCCCCCO MCULE-3422729293 [2,0,0,0,0,0|1,1,0]=4 416 B7R0.1 ClCCCCCCBr MCULE-7471712605 [2,0,0,0,0,0|2,0,0]=4 417 B7R0.1 ClCCCCCCCl MCULE-2423183693 [2,0,0,0,0,0|2,0,0]=4 418 B7R0.1 ClCCCCCCI MCULE-2662361744 [2,0,0,0,0,0|2,0,0]=4 419 B7R0.1 ClCCCCOCCl MCULE-6534731124 [2,0,0,0,0,0|2,0,0]=4 420 B7R0.1 FCCCCCCBr MCULE-9238324978 [2,0,0,0,0,0|2,0,0]=4 421 B7R0.1 ICCCCCCI MCULE-1005202656 [2,0,0,0,0,0|2,0,0]=4 422 B7R0.1 N#CCCOCCO MCULE-4006569384 [2,0,0,0,0,0|1,0,1]=4 423 B7R0.1 N#CCOCCCO MCULE-3858235861 [2,0,0,0,0,0|1,0,1]=4 424 B7R0.1 NCCCCCCBr MCULE-4017495581 [2,0,0,0,0,0|2,0,0]=4 425 B7R0.1 NCCCCCCBr MCULE-4048883510 [2,0,0,0,0,0|2,0,0]=4 426 B7R0.1 NCCCCCCN MCULE-1038764376 [2,0,0,0,0,0|2,0,0]=4 427 B7R0.1 NCCCCCCN MCULE-3766020930 [2,0,0,0,0,0|2,0,0]=4 428 B7R0.1 NCCCCCCN MCULE-9535729200 [2,0,0,0,0,0|2,0,0]=4 429 B7R0.1 NCCCCCCO MCULE-2264326846 [2,0,0,0,0,0|1,0,0]=3 430 B7R0.1 NCCCCCCS MCULE-3764839885 [2,0,0,0,0,0|1,1,0]=4 431 B7R0.1 NCCCCCCS MCULE-5822376723 [2,0,0,0,0,0|1,1,0]=4 432 B7R0.1 NCCCNCCO MCULE-1084481336 [2,0,0,0,0,0|2,0,0]=4 433 B7R0.1 NCCCOCCO MCULE-7244821044 [2,0,0,0,0,0|1,0,0]=3 434 B7R0.1 NCCNCCCO MCULE-6476789217 [2,0,0,0,0,0|2,0,0]=4 435 B7R0.1 NCCOCCCO MCULE-2435588099 [2,0,0,0,0,0|1,0,0]=3 436 B7R0.1 NCCOCCCO MCULE-9188421727 [2,0,0,0,0,0|1,0,0]=3 437 B7R0.1 NCCSCCCO MCULE-1578023056 [2,0,0,0,0,0|1,1,0]=4 438 B7R0.1 NOCCOCCO MCULE-7815173940 [2,0,0,0,0,0|1,0,0]=3 439 B7R0.1 O=CCCCCCO MCULE-3978349845 [2,0,0,0,0,0|0,0,2]=4 440 B7R0.1 O=CCCCCCO MCULE-4997016680 [2,0,0,0,0,0|0,0,2]=4 441 B7R0.1 OCCC=CCCO MCULE-7933051592 [2,0,0,0,0,0|0,0,2]=4 442 B7R0.1 OCCCCCCBr MCULE-3500356936 [2,0,0,0,0,0|1,0,0]=3 443 B7R0.1 OCCCCCCCl MCULE-4507452440 [2,0,0,0,0,0|1,0,0]=3 444 B7R0.1 OCCCCCCF MCULE-7082491218 [2,0,0,0,0,0|1,0,0]=3 445 B7R0.1 OCCCCCCI MCULE-3710706648 [2,0,0,0,0,0|1,0,0]=3 446 B7R0.1 OCCCCCCO MCULE-8817570517 [2,0,0,0,0,0|0,0,0]=2 447 B7R0.1 OCCCCCCS MCULE-9135853131 [2,0,0,0,0,0|0,1,0]=3 448 B7R0.1 OCCCNCCO MCULE-1959450493 [2,0,0,0,0,0|1,0,0]=3 449 B7R0.1 OCCCOCCCl MCULE-9172390990 [2,0,0,0,0,0|1,0,0]=3 450 B7R0.1 OCCNNCCO MCULE-5335815164 [2,0,0,0,0,0|2,0,0]=4 451 B7R0.1 OCCOCCCBr MCULE-3397483886 [2,0,0,0,0,0|1,0,0]=3 452 B7R0.1 OCCSSCCO MCULE-9443383082 [2,0,0,0,0,0|0,2,0]=4 453 B7R0.1 SCCCCCCS MCULE-2873828857 [2,0,0,0,0,0|0,2,0]=4 454 B7R0.1 [NH3+]CCCCCC[NH3+] MCULE-2211304471 [2,0,0,0,0,0|2,0,0]=4 455 B9R0.2 CC(=O)NCCOCCO MCULE-4601425982 [1,1,0,0,0,0|1,0,1]=4 456 B9R0.2 CC(=O)OCCOCCCl MCULE-6641386197 [1,1,0,0,0,0|1,0,1]=4 457 B9R0.2 CC(=O)OCCOCCO MCULE-1731179198 [1,1,0,0,0,0|0,0,1]=3 458 B9R0.2 CC(C)CCCCCCO MCULE-1311865208 [1,1,0,0,0,0|2,0,0]=4 459 B9R0.2 CC(C)NCCCCCO MCULE-7223381486 [1,1,0,0,0,0|2,0,0]=4 460 B9R0.2 CC(C)NCCOCCN MCULE-8379305503 [1,1,0,0,0,0|2,0,0]=4 461 B9R0.2 CC(C)NCCOCCO MCULE-1908249477 [1,1,0,0,0,0|1,0,0]=3 462 B9R0.2 CC(C)NCCOCCO MCULE-3095080776 [1,1,0,0,0,0|1,0,0]=3 463 B9R0.2 CC(O)C#CCOCCO MCULE-2573317022 [1,1,0,0,0,0|0,0,2]=4 464 B9R0.2 CC(O)COCC#CCO MCULE-5920262920 [1,1,0,0,0,0|0,0,2]=4 465 B9R0.2 CCCCCCCC(C)O MCULE-5218382339 [1,1,0,0,0,0|2,0,0]=4 466 B9R0.2 CCCCCCC[C@H](C)O MCULE-6211597611 [1,1,0,0,0,0|2,0,0]=4 467 B9R0.2 CCCCCOCC(=O)O MCULE-8190672624 [1,1,0,0,0,0|1,0,1]=4 468 B9R0.2 CCCOCCCC(=O)O MCULE-8829980105 [1,1,0,0,0,0|1,0,1]=4 469 B9R0.2 CCOCCCCC(=O)O MCULE-8522289104 [1,1,0,0,0,0|1,0,1]=4 470 B9R0.2 CCOCCOCC(=O)O MCULE-2273372397 [1,1,0,0,0,0|0,0,1]=3 471 B9R0.2 CCOCCOCC(C)O MCULE-4621055001 [1,1,0,0,0,0|0,0,0]=2 472 B9R0.2 O=C(O)CCCCCCO MCULE-7270362706 [1,1,0,0,0,0|1,0,1]=4 473 B9R0.2 O=C(O)CCCNCCO MCULE-8202070706 [1,1,0,0,0,0|1,0,1]=4 474 B9R0.2 O=C(O)CNCCCCO MCULE-6377863888 [1,1,0,0,0,0|1,0,1]=4 475 B9R0.5 CCCCCC(C)CCO MCULE-6787638248 [1,1,0,0,0,0|2,0,0]=4 476 B9R0.5 CCCCCC(O)CCO MCULE-7307683143 [1,1,0,0,0,0|2,0,0]=4 477 B9R0.5 CCOC(=O)CCCCO MCULE-3157415426 [1,1,0,0,0,0|1,0,1]=4 478 B9R0.5 CCOC(=O)COCCBr MCULE-4604862482 [1,1,0,0,0,0|1,0,1]=4 479 B9R0.5 CCOC(=O)COCCCl MCULE-9218281344 [1,1,0,0,0,0|1,0,1]=4 480 B9R0.5 CCOC(=O)COCCI MCULE-7705777158 [1,1,0,0,0,0|1,0,1]=4 481 B9R0.5 CCOC(=O)COCCN MCULE-7738890913 [1,1,0,0,0,0|1,0,1]=4 482 B9R0.5 CCOC(=O)COCCN MCULE-8436568303 [1,1,0,0,0,0|1,0,1]=4 483 B9R0.18 CCCCC(O)CCCO MCULE-8337847504 [1,1,0,0,0,0|2,0,0]=4 484 B9R0.18 CCCOC(C)OCCC MCULE-5937479015 [1,1,0,0,0,0|2,0,0]=4 485 B9R0.18 CN(CCCO)CCCO MCULE-7584673151 [1,1,0,0,0,0|2,0,0]=4 486 B9R0.18 O=C(CCCO)NCCO MCULE-3037964082 [1,1,0,0,0,0|1,0,1]=4 487 B9R0.46 CCC(C)CCCCCO MCULE-2502680966 [1,1,0,0,0,0|2,0,0]=4 488 B9R0.46 CCCCCCC(C)CO MCULE-7202468291 [1,1,0,0,0,0|2,0,0]=4 489 B9R0.46 CCCCCCC(O)CO MCULE-7396593748 [1,1,0,0,0,0|2,0,0]=4 490 B9R0.46 CCCCCC[C@@H](O)CO MCULE-9540453574 [1,1,0,0,0,0|2,0,0]=4 491 B9R0.46 CCCCCC[C@H](O)CO MCULE-8481484883 [1,1,0,0,0,0|2,0,0]=4 492 B9R0.46 CCN(C)CCOCCO MCULE-4158738056 [1,1,0,0,0,0|1,0,0]=3 493 B9R0.46 CCOCCOC(=O)CCl MCULE-7090448266 [1,1,0,0,0,0|1,0,1]=4 494 B9R0.46 CC[C@H](C)CCCCCO MCULE-2345749211 [1,1,0,0,0,0|2,0,0]=4 495 B9R0.46 CC[C@H](C)CCCCCO MCULE-9450083737 [1,1,0,0,0,0|2,0,0]=4 496 B9R0.46 COC(=O)CCOCCO MCULE-2103874995 [1,1,0,0,0,0|2,0,0]=4 497 B9R0.46 OCCCCCC(O)CO MCULE-1241763539 [1,1,0,0,0,0|1,0,0]=3 498 B11R0.4 CCCC(=O)OCCOCCCl MCULE-9223837861 [0,2,0,0,0,0|2,0,0]=4 499 B11R0.81 CCCCCCC(C)OCCO MCULE-2974953071 [0,2,0,0,0,0|2,0,0]=4 500 B11R0.30 O=C(O)COCCOCC(=O)O MCULE-8327328188 [0,2,0,0,0,0|0,0,2]=4 501 B11R0.40 CCCCCCOCC(O)CCl MCULE-9400857337 [0,2,0,0,0,0|2,0,0]=4 502 B11R0.40 CCCCCCOCC(O)CO MCULE-6836288154 [0,2,0,0,0,0|2,0,0]=4 503 B11R0.40 COCCOCCOC(=O)CS MCULE-7102370274 [0,2,0,0,0,0|0,1,1]=4 504 B11R0.40 OC(CCl)COCCOCCCl MCULE-8697226098 [0,2,0,0,0,0|1,0,0]=3 505 B11R0.40 OCCCCCCCC(O)CO MCULE-9195681013 [0,2,0,0,0,0|2,0,0]=4 506 B11R0.46 C=CCOCC(C)OCC(C)O MCULE-1137909351 [0,2,0,0,0,0|1,0,1]=4 507 B11R0.148 C#CCOCCOCCC(=O)O MCULE-5101359772 [0,2,0,0,0,0|1,0,1]=4 508 B11R0.148 C=CCOCCOCCC(=O)O MCULE-8239467569 [0,2,0,0,0,0|1,0,1]=4 509 B11R0.148 CC(O)CCCCCCCCO MCULE-6820244164 [0,2,0,0,0,0|2,0,0]=4 510 B11R0.148 CCCCOCCOCC(=O)O MCULE-3118678736 [0,2,0,0,0,0|1,0,1]=4 511 B11R0.148 CCCCOCCOCC(C)O MCULE-2011202774 [0,2,0,0,0,0|1,0,0]=3 512 B11R0.148 CN(C)CCNCCOCCO MCULE-7514723815 [0,2,0,0,0,0|2,0,0]=4 513 B11R0.148 CN(C)CCOCCOCCO MCULE-3632862687 [0,2,0,0,0,0|1,0,0]=3 514 B11R0.148 COCCOCCOCC(=O)Cl MCULE-3746882663 [0,2,0,0,0,0|0,0,2]=4 515 B11R0.148 COCCOCCOCC(=O)O MCULE-8142044106 [0,2,0,0,0,0|0,0,1]=3 516 B11R0.148 NCCOCCOCCC(=O)O MCULE-7286284064 [0,2,0,0,0,0|1,0,0]=3 517 B11R0.148 NCCOCCOCCC(=O)O MCULE-8782232340 [0,2,0,0,0,0|1,0,0]=3 518 B11R0.148 O=C(O)CCCCCCCCO MCULE-6121514710 [0,2,0,0,0,0|2,0,0]=4 519 B11R0.148 O=C(O)CCOCCOCCBr MCULE-3253906029 [0,2,0,0,0,0|1,0,0]=3 520 B11R0.148 O=C(O)CCOCCOCCO MCULE-9797832183 [0,2,0,0,0,0|0,0,0]=2 521 B11R0.148 O=C(O)CCOCCOCCS MCULE-1627429574 [0,2,0,0,0,0|0,1,0]=3 522 B11R0.159 OCCNCCOCC(F)(F)F MCULE-5778405120 [0,2,0,0,0,0|2,0,0]=4 523 B11R0.3 CCCCCCCCOCCO MCULE-9752110999 [0,2,0,0,0,0|2,0,0]=4 524 B11R0.3 CCCCCSCCOCCO MCULE-1471152415 [0,2,0,0,0,0|1,1,0]=4 525 B11R0.3 CCCCOCCOCCCC MCULE-5261480538 [0,2,0,0,0,0|2,0,0]=4 526 B11R0.3 CCCCOCCOCCOC MCULE-8111177194 [0,2,0,0,0,0|1,0,0]=3 527 B11R0.3 CCNCCOCCOCCO MCULE-4110769801 [0,2,0,0,0,0|1,0,0]=3 528 B11R0.3 CCOCCCCCCCCO MCULE-8839640265 [0,2,0,0,0,0|2,0,0]=4 529 B11R0.3 CCOCCOCCOCCN MCULE-6674244457 [0,2,0,0,0,0|1,0,0]=3 530 B11R0.3 CCOCCOCCOCCO MCULE-5331234865 [0,2,0,0,0,0|0,0,0]=2 531 B11R0.3 CCOCCOCCSCCO MCULE-3067129326 [0,2,0,0,0,0|0,1,0]=3 532 B11R0.3 CCSCCOCCOCCO MCULE-7828163038 [0,2,0,0,0,0|0,1,0]=3 533 B11R0.3 CNCCOCCOCCNC MCULE-2655072308 [0,2,0,0,0,0|2,0,0]=4 534 B11R0.3 CNCCOCCOCCNC MCULE-3355560867 [0,2,0,0,0,0|2,0,0]=4 535 B11R0.3 CNCCOCCOCCOC MCULE-8080510573 [0,2,0,0,0,0|1,0,0]=3 536 B11R0.3 COCCCCCCCCCO MCULE-5483027656 [0,2,0,0,0,0|2,0,0]=4 537 B11R0.3 COCCCCCCCCOC MCULE-6292448161 [0,2,0,0,0,0|2,0,0]=4 538 B11R0.3 COCCNCCOCCOC MCULE-2498748106 [0,2,0,0,0,0|1,0,0]=3 539 B11R0.3 COCCOCCOCCC=O MCULE-7456622874 [0,2,0,0,0,0|0,0,1]=3 540 B11R0.3 COCCOCCOCCCCl MCULE-1833954857 [0,2,0,0,0,0|1,0,0]=3 541 B11R0.3 COCCOCCOCCCN MCULE-6372744365 [0,2,0,0,0,0|1,0,0]=3 542 B11R0.3 COCCOCCOCCCO MCULE-5937827839 [0,2,0,0,0,0|0,0,0]=2 543 B11R0.3 COCCOCCOCCOC MCULE-9670046114 [0,2,0,0,0,0|0,0,0]=2 544 B11R0.3 COCCOCCOCCON MCULE-5371668308 [0,2,0,0,0,0|0,0,0]=2 545 B11R0.3 N#CCCOCCOCCC#N MCULE-5018870591 [0,2,0,0,0,0|2,0,0]=4 546 B11R0.3 N#N=NCCOCCOCCBr MCULE-1916701483 [0,2,0,0,0,0|2,0,0]=4 547 B11R0.3 N#N=NCCOCCOCCCl MCULE-7253567017 [0,2,0,0,0,0|2,0,0]=4 548 B11R0.3 N#N=NCCOCCOCCN MCULE-5610550990 [0,2,0,0,0,0|2,0,0]=4 549 B11R0.3 N#N=NCCOCCOCCO MCULE-4299139071 [0,2,0,0,0,0|1,0,0]=3 550 B11R0.3 NCCCCCCOCCCO MCULE-2806447363 [0,2,0,0,0,0|2,0,0]=4 551 B11R0.3 NCCCOCCOCCCN MCULE-4242990401 [0,2,0,0,0,0|2,0,0]=4 552 B11R0.3 NOCCOCCOCCON MCULE-1280990608 [0,2,0,0,0,0|0,0,0]=2 553 B11R0.3 OCCCCCCCCCCO MCULE-3187467810 [0,2,0,0,0,0|2,0,0]=4 554 B11R0.3 OCCCCSSCCCCO MCULE-4532927366 [0,2,0,0,0,0|2,0,0]=4 555 B11R0.3 OCCCOCCOCCCO MCULE-9295826990 [0,2,0,0,0,0|0,0,0]=2 556 B11R0.3 OCCOCC#CCOCCO MCULE-9594165194 [0,2,0,0,0,0|0,0,0]=2 557 B11R0.3 OCCOCCCCOCCO MCULE-5488868368 [0,2,0,0,0,0|0,0,0]=2 558 B11R0.3 OCCSCCCCSCCO MCULE-7103137846 [0,2,0,0,0,0|0,2,0]=4 559 B11R0.124 CCC(CCl)OCCOCCCl MCULE-7589943931 [0,2,0,0,0,0|2,0,0]=4 560 B11R0.152 CCCCC(CC)COCCO MCULE-4539904129 [0,2,0,0,0,0|2,0,0]=4 561 B9R1.5 CC1CNCCCC1O MCULE-7042298511 [1,0,0,1,0,0|2,0,0]=4 562 B9R1.5 CC1CNCCCC1O MCULE-8658161534 [1,0,0,1,0,0|2,0,0]=4 563 B9R1.5 NC1CCCCCC1O MCULE-8315023618 [1,0,0,1,0,0|2,0,0]=4 564 B9R1.5 N[C@@H]1CCCCC[C@@H]1O MCULE-2063759577 [1,0,0,1,0,0|2,0,0]=4 565 B9R1.5 N[C@@H]1CCCCC[C@@H]1O MCULE-8213087274 [1,0,0,1,0,0|2,0,0]=4 566 B9R1.5 N[C@@H]1CCCCC[C@H]1O MCULE-5613622981 [1,0,0,1,0,0|2,0,0]=4 567 B9R1.5 N[C@H]1CCCCC[C@@H]1O MCULE-6991711117 [1,0,0,1,0,0|2,0,0]=4 568 B9R1.5 N[C@H]1CCCCC[C@H]1O MCULE-2920839467 [1,0,0,1,0,0|2,0,0]=4 569 B9R1.5 N[C@H]1CCCCC[C@H]1O MCULE-2969566133 [1,0,0,1,0,0|2,0,0]=4 570 B9R1.5 OC1CCCCCC1O MCULE-7682077273 [1,0,0,1,0,0|1,0,0]=3 571 B9R1.5 OC1CNCCCC1F MCULE-3253307740 [1,0,0,1,0,0|2,0,0]=4 572 B9R1.5 OC1CNCCCC1F MCULE-9432299615 [1,0,0,1,0,0|2,0,0]=4 573 B9R1.5 O[C@H]1CCCCC[C@@H]1O MCULE-9651607332 [1,0,0,1,0,0|1,0,0]=3 574 B9R1.8 BrCCC1CCCCO1 MCULE-4230649212 [1,0,0,1,0,0|2,0,0]=4 575 B9R1.8 BrCCC1CCCOC1 MCULE-5741308473 [1,0,0,1,0,0|2,0,0]=4 576 B9R1.8 BrCCC1CCOCC1 MCULE-4291105264 [1,0,0,1,0,0|2,0,0]=4 577 B9R1.8 BrCCC1COCCO1 MCULE-6995566395 [1,0,0,1,0,0|1,0,0]=3 578 B9R1.8 BrCCN1CCCCO1 MCULE-1223411183 [1,0,0,1,0,0|2,0,0]=4 579 B9R1.8 BrCCN1CCOCC1 MCULE-6054727797 [1,0,0,1,0,0|2,0,0]=4 580 B9R1.8 BrCCN1CCOCC1 MCULE-7883785504 [1,0,0,1,0,0|2,0,0]=4 581 B9R1.8 BrCCN1CCOCC1 MCULE-8762267351 [1,0,0,1,0,0|2,0,0]=4 582 B9R1.8 CCCC1CNCCO1 MCULE-9447741986 [1,0,0,1,0,0|2,0,0]=4 583 B9R1.8 CCCC1COCCN1 MCULE-4391950653 [1,0,0,1,0,0|2,0,0]=4 584 B9R1.8 CCCN1CCOCC1 MCULE-4877240053 [1,0,0,1,0,0|2,0,0]=4 585 B9R1.8 CCNC1CCCOC1 MCULE-5265086206 [1,0,0,1,0,0|2,0,0]=4 586 B9R1.8 CCNC1CCCOC1 MCULE-6797333075 [1,0,0,1,0,0|2,0,0]=4 587 B9R1.8 CCOC1CCCNC1 MCULE-3782616420 [1,0,0,1,0,0|2,0,0]=4 588 B9R1.8 CCOC1CCCNC1 MCULE-7785802954 [1,0,0,1,0,0|2,0,0]=4 589 B9R1.8 CCOC1CNCCO1 MCULE-5598394113 [1,0,0,1,0,0|1,0,0]=3 590 B9R1.8 CCO[C@H]1CCCNC1 MCULE-5762359795 [1,0,0,1,0,0|2,0,0]=4 591 B9R1.8 CNCC1COCCO1 MCULE-3663472494 [1,0,0,1,0,0|2,0,0]=4 592 B9R1.8 CNCC1COCCO1 MCULE-4042719770 [1,0,0,1,0,0|2,0,0]=4 593 B9R1.8 CNCC1COCCO1 MCULE-4373994709 [1,0,0,1,0,0|2,0,0]=4 594 B9R1.8 CNC[C@@H]1COCCO1 MCULE-1631348179 [1,0,0,1,0,0|2,0,0]=4 595 B9R1.8 CNC[C@@H]1COCCO1 MCULE-2978269905 [1,0,0,1,0,0|2,0,0]=4 596 B9R1.8 CNC[C@@H]1COCCO1 MCULE-3723240434 [1,0,0,1,0,0|2,0,0]=4 597 B9R1.8 CNC[C@@H]1COCCO1 MCULE-5028881677 [1,0,0,1,0,0|2,0,0]=4 598 B9R1.8 CNC[C@H]1COCCO1 MCULE-2451760661 [1,0,0,1,0,0|2,0,0]=4 599 B9R1.8 CNC[C@H]1COCCO1 MCULE-5593195285 [1,0,0,1,0,0|2,0,0]=4 600 B9R1.8 CNC[C@H]1COCCO1 MCULE-6619773603 [1,0,0,1,0,0|2,0,0]=4 601 B9R1.8 CNC[C@H]1COCCO1 MCULE-7870966324 [1,0,0,1,0,0|2,0,0]=4 602 B9R1.8 ClCCC1CCOCC1 MCULE-3173642012 [1,0,0,1,0,0|2,0,0]=4 603 B9R1.8 ClCCN1CCOCC1 MCULE-2289729308 [1,0,0,1,0,0|2,0,0]=4 604 B9R1.8 ClCCN1CCOCC1 MCULE-2395544337 [1,0,0,1,0,0|2,0,0]=4 605 B9R1.8 ClCOC1CCCOC1 MCULE-1452342336 [1,0,0,1,0,0|2,0,0]=4 606 B9R1.8 FCCC1CNCCO1 MCULE-5391892512 [1,0,0,1,0,0|2,0,0]=4 607 B9R1.8 ICCC1CCOCC1 MCULE-5007120840 [1,0,0,1,0,0|2,0,0]=4 608 B9R1.8 ICCN1CCOCC1 MCULE-1316778081 [1,0,0,1,0,0|2,0,0]=4 609 B9R1.8 ICCN1CCOCC1 MCULE-2426991105 [1,0,0,1,0,0|2,0,0]=4 610 B9R1.8 N#CCC1COCCO1 MCULE-6777176577 [1,0,0,1,0,0|1,0,1]=4 611 B9R1.8 NCCC1CCCCO1 MCULE-3942491369 [1,0,0,1,0,0|2,0,0]=4 612 B9R1.8 NCCC1CCCCO1 MCULE-8718659242 [1,0,0,1,0,0|2,0,0]=4 613 B9R1.8 NCCC1CCCOC1 MCULE-6749080914 [1,0,0,1,0,0|2,0,0]=4 614 B9R1.8 NCCC1CCOCC1 MCULE-3307341350 [1,0,0,1,0,0|2,0,0]=4 615 B9R1.8 NCCC1CCOCC1 MCULE-4280882062 [1,0,0,1,0,0|2,0,0]=4 616 B9R1.8 NCCC1CNCCO1 MCULE-5314215349 [1,0,0,1,0,0|2,0,0]=4 617 B9R1.8 NCCC1COCCO1 MCULE-7148437042 [1,0,0,1,0,0|1,0,0]=3 618 B9R1.8 NCCN1CCCCO1 MCULE-3193772471 [1,0,0,1,0,0|2,0,0]=4 619 B9R1.8 NCCN1CCCCO1 MCULE-6744979905 [1,0,0,1,0,0|2,0,0]=4 620 B9R1.8 NCCN1CCOCC1 MCULE-2887166131 [1,0,0,1,0,0|2,0,0]=4 621 B9R1.8 NCCN1CCOCC1 MCULE-8838328145 [1,0,0,1,0,0|2,0,0]=4 622 B9R1.8 NNCC1COCCO1 MCULE-6800146177 [1,0,0,1,0,0|2,0,0]=4 623 B9R1.8 NNCC1COCCO1 MCULE-8044644563 [1,0,0,1,0,0|2,0,0]=4 624 B9R1.8 OCCC1=CCCCC1 MCULE-5341389843 [1,0,0,1,0,0|2,0,0]=4 625 B9R1.8 OCCC1=CCOCC1 MCULE-5767637910 [1,0,0,1,0,0|1,0,1]=4 626 B9R1.8 OCCC1CCCCC1 MCULE-1419875265 [1,0,0,1,0,0|2,0,0]=4 627 B9R1.8 OCCC1CCCCN1 MCULE-5358571234 [1,0,0,1,0,0|2,0,0]=4 628 B9R1.8 OCCC1CCCCN1 MCULE-6316167724 [1,0,0,1,0,0|2,0,0]=4 629 B9R1.8 OCCC1CCCCN1 MCULE-6383343166 [1,0,0,1,0,0|2,0,0]=4 630 B9R1.8 OCCC1CCCCN1 MCULE-8192447369 [1,0,0,1,0,0|2,0,0]=4 631 B9R1.8 OCCC1CCCCO1 MCULE-8834615080 [1,0,0,1,0,0|1,0,0]=3 632 B9R1.8 OCCC1CCCNC1 MCULE-1585744813 [1,0,0,1,0,0|2,0,0]=4 633 B9R1.8 OCCC1CCCNC1 MCULE-2334553785 [1,0,0,1,0,0|2,0,0]=4 634 B9R1.8 OCCC1CCCOC1 MCULE-3721207963 [1,0,0,1,0,0|1,0,0]=3 635 B9R1.8 OCCC1CCNCC1 MCULE-4733455288 [1,0,0,1,0,0|2,0,0]=4 636 B9R1.8 OCCC1CCNCC1 MCULE-8781109111 [1,0,0,1,0,0|2,0,0]=4 637 B9R1.8 OCCC1CCOCC1 MCULE-2699930826 [1,0,0,1,0,0|1,0,0]=3 638 B9R1.8 OCCC1CNCCN1 MCULE-1485603248 [1,0,0,1,0,0|2,0,0]=4 639 B9R1.8 OCCC1CNCCN1 MCULE-4527044795 [1,0,0,1,0,0|2,0,0]=4 640 B9R1.8 OCCC1CNCCN1 MCULE-5830758261 [1,0,0,1,0,0|2,0,0]=4 641 B9R1.8 OCCC1CNCCN1 MCULE-6879027812 [1,0,0,1,0,0|2,0,0]=4 642 B9R1.8 OCCC1CNCCO1 MCULE-5426840446 [1,0,0,1,0,0|1,0,0]=3 643 B9R1.8 OCCC1CNCCO1 MCULE-7364226481 [1,0,0,1,0,0|1,0,0]=3 644 B9R1.8 OCCC1COCCN1 MCULE-7671693934 [1,0,0,1,0,0|1,0,0]=3 645 B9R1.8 OCCC1COCCN1 MCULE-7975926802 [1,0,0,1,0,0|1,0,0]=3 646 B9R1.8 OCCC1COCCO1 MCULE-8026004111 [1,0,0,1,0,0|0,0,0]=2 647 B9R1.8 OCCC1CSCCN1 MCULE-2529715107 [1,0,0,1,0,0|1,1,0]=4 648 B9R1.8 OCCN1CCCCC1 MCULE-5210318838 [1,0,0,1,0,0|2,0,0]=4 649 B9R1.8 OCCN1CCCCC1 MCULE-6060210408 [1,0,0,1,0,0|2,0,0]=4 650 B9R1.8 OCCN1CCCCO1 MCULE-3704734263 [1,0,0,1,0,0|1,0,0]=3 651 B9R1.8 OCCN1CCNCC1 MCULE-7497741827 [1,0,0,1,0,0|2,0,0]=4 652 B9R1.8 OCCN1CCOCC1 MCULE-4008383485 [1,0,0,1,0,0|1,0,0]=3 653 B9R1.8 OCCN1CCSCC1 MCULE-5257909195 [1,0,0,1,0,0|1,1,0]=4 654 B9R1.8 OCC[C@@H]1CCCCN1 MCULE-1411975903 [1,0,0,1,0,0|2,0,0]=4 655 B9R1.8 OCC[C@@H]1CCCCN1 MCULE-1687945599 [1,0,0,1,0,0|2,0,0]=4 656 B9R1.8 OCC[C@@H]1CCCCN1 MCULE-4768860231 [1,0,0,1,0,0|2,0,0]=4 657 B9R1.8 OCC[C@@H]1CNCCN1 MCULE-1010322548 [1,0,0,1,0,0|2,0,0]=4 658 B9R1.8 OCC[C@@H]1CNCCN1 MCULE-1682721450 [1,0,0,1,0,0|2,0,0]=4 659 B9R1.8 OCC[C@@H]1CNCCN1 MCULE-2510457733 [1,0,0,1,0,0|2,0,0]=4 660 B9R1.8 OCC[C@@H]1CNCCN1 MCULE-7412945816 [1,0,0,1,0,0|2,0,0]=4 661 B9R1.8 OCC[C@@H]1CNCCN1 MCULE-7736283995 [1,0,0,1,0,0|2,0,0]=4 662 B9R1.8 OCC[C@@H]1COCCN1 MCULE-2492409848 [1,0,0,1,0,0|1,0,0]=3 663 B9R1.8 OCC[C@@H]1COCCN1 MCULE-7538532704 [1,0,0,1,0,0|1,0,0]=3 664 B9R1.8 OCC[C@@H]1COCCN1 MCULE-8411336469 [1,0,0,1,0,0|1,0,0]=3 665 B9R1.8 OCC[C@H]1CCCCN1 MCULE-1159412973 [1,0,0,1,0,0|2,0,0]=4 666 B9R1.8 OCC[C@H]1CCCCN1 MCULE-7155911761 [1,0,0,1,0,0|2,0,0]=4 667 B9R1.8 OCC[C@H]1CCCCN1 MCULE-8194139814 [1,0,0,1,0,0|2,0,0]=4 668 B9R1.8 OCC[C@H]1CCCCN1 MCULE-9431208414 [1,0,0,1,0,0|2,0,0]=4 669 B9R1.8 OCC[C@H]1CCCNC1 MCULE-7415878358 [1,0,0,1,0,0|2,0,0]=4 670 B9R1.8 OCC[C@H]1CNCCN1 MCULE-1153840758 [1,0,0,1,0,0|2,0,0]=4 671 B9R1.8 OCC[C@H]1CNCCN1 MCULE-2356486057 [1,0,0,1,0,0|2,0,0]=4 672 B9R1.8 OCC[C@H]1CNCCN1 MCULE-5425698593 [1,0,0,1,0,0|2,0,0]=4 673 B9R1.8 OCC[C@H]1CNCCN1 MCULE-7344138049 [1,0,0,1,0,0|2,0,0]=4 674 B9R1.8 OCC[C@H]1COCCN1 MCULE-4269275620 [1,0,0,1,0,0|1,0,0]=3 675 B9R1.8 SCCN1CCOCC1 MCULE-4185702196 [1,0,0,1,0,0|1,1,0]=4 676 B9R1.8 [C@H]1(CCCCN1)CCO MCULE-4666239626 [1,0,0,1,0,0|2,0,0]=4 677 B9R1.12 BrCCCC1CCOC1 MCULE-8066690419 [1,0,0,1,0,0|2,0,0]=4 678 B9R1.12 BrCCCC1OCCO1 MCULE-1201884899 [1,0,0,1,0,0|1,0,0]=3 679 B9R1.12 BrCCOC1CCCC1 MCULE-8207200369 [1,0,0,1,0,0|2,0,0]=4 680 B9R1.12 BrCCOC1CCOC1 MCULE-3041238514 [1,0,0,1,0,0|1,0,0]=3 681 B9R1.12 C#CCCC1OCCO1 MCULE-1553165885 [1,0,0,1,0,0|1,0,1]=4 682 B9R1.12 CCCCC1CCCO1 MCULE-6226220964 [1,0,0,1,0,0|2,0,0]=4 683 B9R1.12 CCCCC1OCCO1 MCULE-6084525207 [1,0,0,1,0,0|1,0,0]=3 684 B9R1.12 CCCOC1CCNC1 MCULE-2537216700 [1,0,0,1,0,0|2,0,0]=4 685 B9R1.12 CCCOC1CCNC1 MCULE-4555797423 [1,0,0,1,0,0|2,0,0]=4 686 B9R1.12 CCCO[C@@H]1CCNC1 MCULE-1739671899 [1,0,0,1,0,0|2,0,0]=4 687 B9R1.12 CCCO[C@H]1CCNC1 MCULE-8837532175 [1,0,0,1,0,0|2,0,0]=4 688 B9R1.12 CCNCC1CCCO1 MCULE-6762362230 [1,0,0,1,0,0|2,0,0]=4 689 B9R1.12 CCNCC1CCCO1 MCULE-6799465904 [1,0,0,1,0,0|2,0,0]=4 690 B9R1.12 CCOCC1CCCN1 MCULE-9596857478 [1,0,0,1,0,0|2,0,0]=4 691 B9R1.12 CCOCC1CCCO1 MCULE-8991933635 [1,0,0,1,0,0|1,0,0]=3 692 B9R1.12 CNCCC1OCCO1 MCULE-6125926841 [1,0,0,1,0,0|2,0,0]=4 693 B9R1.12 ClCCCC1OCCO1 MCULE-5692195295 [1,0,0,1,0,0|1,0,0]=3 694 B9R1.12 ClCCSC1CCOC1 MCULE-2811911460 [1,0,0,1,0,0|1,1,0]=4 695 B9R1.12 ClCOCC1CCCO1 MCULE-8169237465 [1,0,0,1,0,0|2,0,0]=4 696 B9R1.12 FCCOC1CCNC1 MCULE-3818832542 [1,0,0,1,0,0|2,0,0]=4 697 B9R1.12 FCCOC1CCNC1 MCULE-4240169014 [1,0,0,1,0,0|2,0,0]=4 698 B9R1.12 NCCCC1CCOC1 MCULE-2790704688 [1,0,0,1,0,0|2,0,0]=4 699 B9R1.12 NCCCC1CCOC1 MCULE-4180248181 [1,0,0,1,0,0|2,0,0]=4 700 B9R1.12 NCCOC1CCCC1 MCULE-1605975480 [1,0,0,1,0,0|2,0,0]=4 701 B9R1.12 NCCOC1CCCC1 MCULE-7549131009 [1,0,0,1,0,0|2,0,0]=4 702 B9R1.12 NCCOC1CCOC1 MCULE-4167519990 [1,0,0,1,0,0|1,0,0]=3 703 B9R1.12 O=CCCC1OCCO1 MCULE-2981842901 [1,0,0,1,0,0|0,0,2]=4 704 B9R1.12 OCCCC1CCCC1 MCULE-9661108637 [1,0,0,1,0,0|2,0,0]=4 705 B9R1.12 OCCCC1CCCN1 MCULE-4973252647 [1,0,0,1,0,0|2,0,0]=4 706 B9R1.12 OCCCC1CCCO1 MCULE-9721808816 [1,0,0,1,0,0|1,0,0]=3 707 B9R1.12 OCCCC1CCNC1 MCULE-4410845788 [1,0,0,1,0,0|2,0,0]=4 708 B9R1.12 OCCCC1OCCO1 MCULE-3402600084 [1,0,0,1,0,0|0,0,0]=2 709 B9R1.12 OCCNC1CCCC1 MCULE-3464126624 [1,0,0,1,0,0|2,0,0]=4 710 B9R1.12 OCCNC1CCCC1 MCULE-4344653097 [1,0,0,1,0,0|2,0,0]=4 711 B9R1.12 OCCOC1CCCC1 MCULE-7114927075 [1,0,0,1,0,0|1,0,0]=3 712 B9R1.12 OCCOC1CCOC1 MCULE-6665065123 [1,0,0,1,0,0|0,0,0]=2 713 B9R1.14 CCC1NCCC1CO MCULE-7281322099 [1,0,0,1,0,0|2,0,0]=4 714 B9R1.14 CCN1CCCC1CO MCULE-6449869915 [1,0,0,1,0,0|2,0,0]=4 715 B9R1.14 CCN1CCC[C@@H]1CO MCULE-3480163864 [1,0,0,1,0,0|2,0,0]=4 716 B9R1.14 CCN1CCC[C@H]1CO MCULE-1120119069 [1,0,0,1,0,0|2,0,0]=4 717 B9R1.14 CCN1CCC[C@H]1CO MCULE-6346417572 [1,0,0,1,0,0|2,0,0]=4 718 B9R1.14 OCC1CNCC1CO MCULE-3216303466 [1,0,0,1,0,0|2,0,0]=4 719 B9R1.14 OCC1CNCC1CO MCULE-8556792970 [1,0,0,1,0,0|2,0,0]=4 720 B9R1.14 OC[C@@H]1CNC[C@@H]1CO MCULE-5441133280 [1,0,0,1,0,0|2,0,0]=4 721 B9R1.14 OC[C@@H]1CNC[C@@H]1CO MCULE-8785740812 [1,0,0,1,0,0|2,0,0]=4 722 B9R1.14 OC[C@@H]1CNC[C@H]1CO MCULE-1923940000 [1,0,0,1,0,0|2,0,0]=4 723 B9R1.14 OC[C@@H]1CNC[C@H]1CO MCULE-8086146822 [1,0,0,1,0,0|2,0,0]=4 724 B9R1.14 OC[C@H]1CNC[C@@H]1CO MCULE-3807624796 [1,0,0,1,0,0|2,0,0]=4 725 B9R1.14 OC[C@H]1CNC[C@@H]1CO MCULE-7784303809 [1,0,0,1,0,0|2,0,0]=4 726 B9R1.15 CC1CCCNC1CO MCULE-4408087733 [1,0,0,1,0,0|2,0,0]=4 727 B9R1.15 CC1COCCC1CN MCULE-3656342813 [1,0,0,1,0,0|2,0,0]=4 728 B9R1.15 CC1NCCCC1CO MCULE-2033869519 [1,0,0,1,0,0|2,0,0]=4 729 B9R1.15 CC1OCCNC1CO MCULE-1741355006 [1,0,0,1,0,0|1,0,0]=3 730 B9R1.15 CC1OCCNC1CO MCULE-9766545086 [1,0,0,1,0,0|1,0,0]=3 731 B9R1.15 CCC1CCCCC1O MCULE-7514335194 [1,0,0,1,0,0|2,0,0]=4 732 B9R1.15 C[C@@H]1OCCN[C@H]1CO MCULE-2713680724 [1,0,0,1,0,0|1,0,0]=3 733 B9R1.15 C[C@@H]1OCCN[C@H]1CO MCULE-4338380603 [1,0,0,1,0,0|1,0,0]=3 734 B9R1.15 C[C@@H]1OCCN[C@H]1CO MCULE-7590170950 [1,0,0,1,0,0|1,0,0]=3 735 B9R1.15 C[C@@H]1OCCN[C@H]1CO MCULE-8556273106 [1,0,0,1,0,0|1,0,0]=3 736 B9R1.15 C[C@H]1CCCN[C@@H]1CO MCULE-1290896647 [1,0,0,1,0,0|2,0,0]=4 737 B9R1.15 C[C@H]1CCCN[C@@H]1CO MCULE-3602411590 [1,0,0,1,0,0|2,0,0]=4 738 B9R1.15 C[C@H]1NCCC[C@H]1CO MCULE-6295458608 [1,0,0,1,0,0|2,0,0]=4 739 B9R1.15 C[C@H]1OCCN[C@@H]1CO MCULE-2162620553 [1,0,0,1,0,0|1,0,0]=3 740 B9R1.15 C[C@H]1OCCN[C@@H]1CO MCULE-4393718690 [1,0,0,1,0,0|1,0,0]=3 741 B9R1.15 C[C@H]1OCCN[C@@H]1CO MCULE-6427512664 [1,0,0,1,0,0|1,0,0]=3 742 B9R1.15 C[C@H]1OCCN[C@@H]1CO MCULE-6736855904 [1,0,0,1,0,0|1,0,0]=3 743 B9R1.15 C[C@H]1OCCN[C@@H]1CO MCULE-8696304905 [1,0,0,1,0,0|1,0,0]=3 744 B9R1.15 C[C@H]1OCCN[C@@H]1CO MCULE-9103105556 [1,0,0,1,0,0|1,0,0]=3 745 B9R1.15 NC1CCCCC1CO MCULE-5262753422 [1,0,0,1,0,0|2,0,0]=4 746 B9R1.15 NC1CCCCC1CO MCULE-9191988425 [1,0,0,1,0,0|2,0,0]=4 747 B9R1.15 NC1COCCC1CO MCULE-3392980000 [1,0,0,1,0,0|1,0,0]=3 748 B9R1.15 NC1COCCC1CO MCULE-8617350186 [1,0,0,1,0,0|1,0,0]=3 749 B9R1.15 NCC1CCCCC1O MCULE-3106014100 [1,0,0,1,0,0|2,0,0]=4 750 B9R1.15 NCC1CCNCC1O MCULE-3055394995 [1,0,0,1,0,0|2,0,0]=4 751 B9R1.15 NCC1CCNCC1O MCULE-6224685083 [1,0,0,1,0,0|2,0,0]=4 752 B9R1.15 NC[C@@H]1CCNC[C@@H]1O MCULE-2628011610 [1,0,0,1,0,0|2,0,0]=4 753 B9R1.15 NC[C@@H]1CCNC[C@@H]1O MCULE-4130182685 [1,0,0,1,0,0|2,0,0]=4 754 B9R1.15 NC[C@@H]1CCNC[C@@H]1O MCULE-4171309495 [1,0,0,1,0,0|2,0,0]=4 755 B9R1.15 NC[C@@H]1CCNC[C@@H]1O MCULE-9652322332 [1,0,0,1,0,0|2,0,0]=4 756 B9R1.15 NC[C@@H]1CCNC[C@H]1O MCULE-2431660086 [1,0,0,1,0,0|2,0,0]=4 757 B9R1.15 NC[C@@H]1CCNC[C@H]1O MCULE-5301710683 [1,0,0,1,0,0|2,0,0]=4 758 B9R1.15 NC[C@H]1CCCC[C@@H]1O MCULE-1443897301 [1,0,0,1,0,0|2,0,0]=4 759 B9R1.15 NC[C@H]1CCCC[C@@H]1O MCULE-4382665718 [1,0,0,1,0,0|2,0,0]=4 760 B9R1.15 NC[C@H]1CCNC[C@@H]1O MCULE-7451941473 [1,0,0,1,0,0|2,0,0]=4 761 B9R1.15 NC[C@H]1CCNC[C@@H]1O MCULE-8077996531 [1,0,0,1,0,0|2,0,0]=4 762 B9R1.15 N[C@@H]1CCCC[C@@H]1CO MCULE-2333094825 [1,0,0,1,0,0|2,0,0]=4 763 B9R1.15 N[C@@H]1CCCC[C@@H]1CO MCULE-6100111885 [1,0,0,1,0,0|2,0,0]=4 764 B9R1.15 N[C@@H]1CCCC[C@H]1CO MCULE-2541489944 [1,0,0,1,0,0|2,0,0]=4 765 B9R1.15 N[C@@H]1CCCC[C@H]1CO MCULE-4358798149 [1,0,0,1,0,0|2,0,0]=4 766 B9R1.15 N[C@@H]1CCCC[C@H]1CO MCULE-6886498483 [1,0,0,1,0,0|2,0,0]=4 767 B9R1.15 N[C@@H]1CCCC[C@H]1CO MCULE-9434700277 [1,0,0,1,0,0|2,0,0]=4 768 B9R1.15 N[C@H]1CCCC[C@H]1CO MCULE-7191404876 [1,0,0,1,0,0|2,0,0]=4 769 B9R1.15 N[C@H]1CCCC[C@H]1CO MCULE-8159159865 [1,0,0,1,0,0|2,0,0]=4 770 B9R1.15 N[C@H]1COCC[C@H]1CO MCULE-5880045699 [1,0,0,1,0,0|1,0,0]=3 771 B9R1.15 N[C@H]1COCC[C@H]1CO MCULE-8504787876 [1,0,0,1,0,0|1,0,0]=3 772 B9R1.15 OC1CCCCC1CBr MCULE-3516289492 [1,0,0,1,0,0|2,0,0]=4 773 B9R1.15 OCC1CCCCC1O MCULE-1945714569 [1,0,0,1,0,0|1,0,0]=3 774 B9R1.15 OCC1CCNCC1F MCULE-2928396204 [1,0,0,1,0,0|2,0,0]=4 775 B9R1.15 OCC1CCNCC1F MCULE-4498079199 [1,0,0,1,0,0|2,0,0]=4 776 B9R1.15 OCC1CCNCC1O MCULE-7571515188 [1,0,0,1,0,0|1,0,0]=3 777 B9R1.15 OCC1CCNCC1O MCULE-8029631005 [1,0,0,1,0,0|1,0,0]=3 778 B9R1.15 OCC1CNCCC1O MCULE-1394638729 [1,0,0,1,0,0|2,0,0]=4 779 B9R1.15 OCC1CNCCC1O MCULE-3316949664 [1,0,0,1,0,0|2,0,0]=4 780 B9R1.15 OCC1NCCCC1O MCULE-4567185313 [1,0,0,1,0,0|1,0,0]=3 781 B9R1.15 OCC1NCCCC1O MCULE-6603271501 [1,0,0,1,0,0|1,0,0]=3 782 B9R1.15 OC[C@@H]1CCNC[C@@H]1F MCULE-2280671949 [1,0,0,1,0,0|2,0,0]=4 783 B9R1.15 OC[C@@H]1CCNC[C@@H]1F MCULE-5182685629 [1,0,0,1,0,0|2,0,0]=4 784 B9R1.15 OC[C@@H]1CCNC[C@@H]1F MCULE-6426816664 [1,0,0,1,0,0|2,0,0]=4 785 B9R1.15 OC[C@@H]1CCNC[C@@H]1F MCULE-6911928107 [1,0,0,1,0,0|2,0,0]=4 786 B9R1.15 OC[C@@H]1CCNC[C@@H]1F MCULE-7067705943 [1,0,0,1,0,0|2,0,0]=4 787 B9R1.15 OC[C@@H]1CCNC[C@@H]1O MCULE-3094062800 [1,0,0,1,0,0|1,0,0]=3 788 B9R1.15 OC[C@@H]1CCNC[C@@H]1O MCULE-6303448234 [1,0,0,1,0,0|1,0,0]=3 789 B9R1.15 OC[C@@H]1CCNC[C@@H]1O MCULE-6793824447 [1,0,0,1,0,0|1,0,0]=3 790 B9R1.15 OC[C@@H]1CCNC[C@@H]1O MCULE-9672123449 [1,0,0,1,0,0|1,0,0]=3 791 B9R1.15 OC[C@@H]1CCNC[C@H]1O MCULE-2277053036 [1,0,0,1,0,0|1,0,0]=3 792 B9R1.15 OC[C@@H]1CCNC[C@H]1O MCULE-4840185571 [1,0,0,1,0,0|1,0,0]=3 793 B9R1.15 OC[C@H]1CCNC[C@@H]1O MCULE-1589442124 [1,0,0,1,0,0|1,0,0]=3 794 B9R1.15 OC[C@H]1CCNC[C@@H]1O MCULE-5378098662 [1,0,0,1,0,0|1,0,0]=3 795 B9R1.15 OC[C@H]1CCNC[C@@H]1O MCULE-5907126780 [1,0,0,1,0,0|1,0,0]=3 796 B9R1.15 OC[C@H]1CCNC[C@@H]1O MCULE-6675818472 [1,0,0,1,0,0|1,0,0]=3 797 B9R1.15 OC[C@H]1CCNC[C@H]1F MCULE-3084007189 [1,0,0,1,0,0|2,0,0]=4 798 B9R1.15 OC[C@H]1CCNC[C@H]1F MCULE-6039491253 [1,0,0,1,0,0|2,0,0]=4 799 B9R1.15 OC[C@H]1CCNC[C@H]1F MCULE-6077710469 [1,0,0,1,0,0|2,0,0]=4 800 B9R1.15 OC[C@H]1CCNC[C@H]1F MCULE-7212928624 [1,0,0,1,0,0|2,0,0]=4 801 B9R1.15 OC[C@H]1CCNC[C@H]1F MCULE-8482961967 [1,0,0,1,0,0|2,0,0]=4 802 B9R1.15 OC[C@H]1CCNC[C@H]1O MCULE-1138683406 [1,0,0,1,0,0|1,0,0]=3 803 B9R1.15 OC[C@H]1CCNC[C@H]1O MCULE-2009456098 [1,0,0,1,0,0|1,0,0]=3 804 B9R1.15 OC[C@H]1CCNC[C@H]1O MCULE-6847756490 [1,0,0,1,0,0|1,0,0]=3 805 B9R1.15 OC[C@H]1CCNC[C@H]1O MCULE-8689272206 [1,0,0,1,0,0|1,0,0]=3 806 B9R1.15 OC[C@H]1CNCC[C@H]1O MCULE-1702794715 [1,0,0,1,0,0|2,0,0]=4 807 B9R1.15 OC[C@H]1CNCC[C@H]1O MCULE-9636833446 [1,0,0,1,0,0|2,0,0]=4 808 B9R1.15 OC[C@H]1OCC=C[C@@H]1O MCULE-3248185970 [1,0,0,1,0,0|0,0,2]=4 809 B9R1.15 [C@H]1(CNCC[C@H]1CN)O MCULE-2780379872 [1,0,0,1,0,0|2,0,0]=4 810 B9R1.15 [C@H]1(CNCC[C@H]1CN)O MCULE-6533831464 [1,0,0,1,0,0|2,0,0]=4 811 B9R1.15 [C@H]1(CNCC[C@H]1CO)O MCULE-6865852051 [1,0,0,1,0,0|1,0,0]=3 812 B9R1.17 BrCCOCC1CCC1 MCULE-3787422053 [1,0,0,1,0,0|2,0,0]=4 813 B9R1.17 NCCOCC1CCC1 MCULE-2834054291 [1,0,0,1,0,0|2,0,0]=4 814 B9R1.17 NCCOCC1CCC1 MCULE-8028920848 [1,0,0,1,0,0|2,0,0]=4 815 B9R1.17 OCCNCC1CCC1 MCULE-4723097347 [1,0,0,1,0,0|2,0,0]=4 816 B9R1.17 OCCOCC1CCC1 MCULE-7887769719 [1,0,0,1,0,0|1,0,0]=3 817 B9R1.33 CC1CCCC1CCO MCULE-1752596263 [1,0,0,1,0,0|2,0,0]=4 818 B9R1.33 CCNC1COCC1O MCULE-7678905536 [1,0,0,1,0,0|1,0,0]=3 819 B9R1.33 CCN[C@H]1COC[C@@H]1O MCULE-1056741017 [1,0,0,1,0,0|1,0,0]=3 820 B9R1.33 CCN[C@H]1COC[C@@H]1O MCULE-9348333209 [1,0,0,1,0,0|1,0,0]=3 821 B9R1.33 CCOC1CCCC1N MCULE-1724274632 [1,0,0,1,0,0|2,0,0]=4 822 B9R1.33 CCOC1COCC1N MCULE-2162651380 [1,0,0,1,0,0|1,0,0]=3 823 B9R1.33 CCOC1COCC1N MCULE-9082503329 [1,0,0,1,0,0|1,0,0]=3 824 B9R1.33 CCO[C@@H]1COC[C@H]1N MCULE-1741753592 [1,0,0,1,0,0|1,0,0]=3 825 B9R1.33 CCO[C@@H]1COC[C@H]1N MCULE-6669405898 [1,0,0,1,0,0|1,0,0]=3 826 B9R1.33 CCO[C@H]1COC[C@@H]1N MCULE-2150046389 [1,0,0,1,0,0|1,0,0]=3 827 B9R1.33 CCO[C@H]1COC[C@@H]1N MCULE-4858617743 [1,0,0,1,0,0|1,0,0]=3 828 B9R1.33 CCO[C@H]1COC[C@@H]1N MCULE-8083115654 [1,0,0,1,0,0|1,0,0]=3 829 B9R1.33 CCO[C@H]1COC[C@@H]1N MCULE-8977340327 [1,0,0,1,0,0|1,0,0]=3 830 B9R1.33 NC1CCCC1CCO MCULE-4115683269 [1,0,0,1,0,0|2,0,0]=4 831 B9R1.33 OCCC1CCCC1O MCULE-2038693822 [1,0,0,1,0,0|1,0,0]=3 832 B9R1.50 OC1CCCCCCC1 MCULE-7379371136 [1,0,0,1,0,0|2,0,0]=4 833 B9R1.83 CCCCCCC1CO1 MCULE-5253323325 [1,0,0,1,0,0|2,0,0]=4 834 B9R1.83 CCCCCC[C@H]1CO1 MCULE-2693826692 [1,0,0,1,0,0|2,0,0]=4 835 B9R1.83 OCCCCNC1CC1 MCULE-7073557287 [1,0,0,1,0,0|2,0,0]=4 836 B9R1.83 OCCCOCC1CO1 MCULE-9629508633 [1,0,0,1,0,0|2,0,0]=4 837 B9R1.83 OCCNCCC1CC1 MCULE-2523773581 [1,0,0,1,0,0|2,0,0]=4 838 B9R1.89 BrCC1OCCCCO1 MCULE-3435142846 [1,0,0,1,0,0|1,0,0]=3 839 B9R1.89 FCC1CCNCCO1 MCULE-2885724612 [1,0,0,1,0,0|2,0,0]=4 840 B9R1.89 FCC1CCNCCO1 MCULE-5255949130 [1,0,0,1,0,0|2,0,0]=4 841 B9R1.89 ICC1CCCCCO1 MCULE-8717458528 [1,0,0,1,0,0|2,0,0]=4 842 B9R1.89 OCC1CCCCCC1 MCULE-1749370417 [1,0,0,1,0,0|2,0,0]=4 843 B9R1.89 OCC1CCCCCC1 MCULE-2629813419 [1,0,0,1,0,0|2,0,0]=4 844 B9R1.89 OCC1CCCCCN1 MCULE-1586506984 [1,0,0,1,0,0|2,0,0]=4 845 B9R1.89 OCC1CCCNCC1 MCULE-1276268438 [1,0,0,1,0,0|2,0,0]=4 846 B9R1.89 OCC1CCCNCC1 MCULE-6937244427 [1,0,0,1,0,0|2,0,0]=4 847 B9R1.89 OCC1CCNCCO1 MCULE-9176508562 [1,0,0,1,0,0|1,0,0]=3 848 B9R1.89 OCC1CNCCCO1 MCULE-7903525804 [1,0,0,1,0,0|2,0,0]=4 849 B9R1.89 OCC1CNCCCO1 MCULE-9908272497 [1,0,0,1,0,0|2,0,0]=4 850 B9R1.89 OC[C@@H]1CCCCCN1 MCULE-3068262302 [1,0,0,1,0,0|2,0,0]=4 851 B9R1.89 OC[C@@H]1CNCCCO1 MCULE-3544932007 [1,0,0,1,0,0|2,0,0]=4 852 B9R1.89 OC[C@@H]1CNCCCO1 MCULE-4726628241 [1,0,0,1,0,0|2,0,0]=4 853 B9R1.89 OC[C@@H]1CNCCCO1 MCULE-5225680882 [1,0,0,1,0,0|2,0,0]=4 854 B9R1.89 OC[C@@H]1CNCCCO1 MCULE-5475510815 [1,0,0,1,0,0|2,0,0]=4 855 B9R1.89 OC[C@H]1CNCCCO1 MCULE-2922219127 [1,0,0,1,0,0|2,0,0]=4 856 B9R1.89 OC[C@H]1CNCCCO1 MCULE-3177968218 [1,0,0,1,0,0|2,0,0]=4 857 B9R1.89 OC[C@H]1CNCCCO1 MCULE-3793527665 [1,0,0,1,0,0|2,0,0]=4 858 B9R1.89 OC[C@H]1CNCCCO1 MCULE-7260252629 [1,0,0,1,0,0|2,0,0]=4 859 B11R1.4 BrCCCCCC1OCCO1 MCULE-8481039787 [0,1,0,1,0,0|2,0,0]=4 860 B11R1.4 CCCCCCC1OCCO1 MCULE-4454812568 [0,1,0,1,0,0|2,0,0]=4 861 B11R1.4 COCCNCC1CCCO1 MCULE-6997277115 [0,1,0,1,0,0|2,0,0]=4 862 B11R1.4 N#CCCOCC1CCCO1 MCULE-2094800243 [0,1,0,1,0,0|2,0,0]=4 863 B11R1.4 NCCCOCC1CCCO1 MCULE-5647840349 [0,1,0,1,0,0|2,0,0]=4 864 B11R1.4 OCCCCOC1CCCO1 MCULE-9804845572 [0,1,0,1,0,0|2,0,0]=4 865 B11R1.4 OCCCOCC1CCCC1 MCULE-4073733141 [0,1,0,1,0,0|2,0,0]=4 866 B11R1.24 CN1CCCC(C1)OCCO MCULE-1331571300 [0,1,0,1,0,0|2,0,0]=4 867 B11R1.30 CCCC(=O)CC1OCCO1 MCULE-5968152006 [0,1,0,1,0,0|2,0,0]=4 868 B11R1.180 CN1CCCC1COCCO MCULE-4307941664 [0,1,0,1,0,0|2,0,0]=4 869 B11R1.27 CCCCCC1OCC(O1)C MCULE-9583652455 [0,1,0,1,0,0|2,0,0]=4 870 B11R1.91 O=C(O)CCC1COCCO1 MCULE-8260042590 [0,1,0,1,0,0|1,0,1]=4 871 B11R1.91 O=C(O)COC1CCCOC1 MCULE-6982251312 [0,1,0,1,0,0|1,0,1]=4 872 B11R1.99 CCCCCCOCC1CO1 MCULE-4928959956 [0,1,0,1,0,0|2,0,0]=4 873 B11R1.99 CCCCCCOC[C@H]1CO1 MCULE-7895281836 [0,1,0,1,0,0|2,0,0]=4 874 B11R1.172 CC(N)COCC1CCCO1 MCULE-1394472629 [0,1,0,1,0,0|2,0,0]=4 875 B11R1.172 O=C(O)COCC1CCCO1 MCULE-6503346834 [0,1,0,1,0,0|1,0,1]=4 876 B11R1.191 CC1(COCCN1CCO)C MCULE-4916346714 [0,1,0,1,0,0|2,0,0]=4 877 B11R1.193 CC(C)C1OCCN1CCO MCULE-7650022823 [0,1,0,1,0,0|2,0,0]=4 878 B11R1.5 O=C1CCOCCN1CCO MCULE-4962884762 [0,1,0,1,0,0|1,0,1]=4 879 B11R1.28 BrCCCOC1CCCCO1 MCULE-7678802743 [0,1,0,1,0,0|2,0,0]=4 880 B11R1.28 BrCCOCC1CCCCO1 MCULE-3841203039 [0,1,0,1,0,0|2,0,0]=4 881 B11R1.28 C#CCCOC1CCCCO1 MCULE-8459904956 [0,1,0,1,0,0|2,0,0]=4 882 B11R1.28 CCCCOC1CCCCO1 MCULE-5619472922 [0,1,0,1,0,0|2,0,0]=4 883 B11R1.28 COCCOC1CCCNC1 MCULE-8229026729 [0,1,0,1,0,0|2,0,0]=4 884 B11R1.28 COCCOC1CCCNC1 MCULE-8741293011 [0,1,0,1,0,0|2,0,0]=4 885 B11R1.28 ClCCCOC1CCCCO1 MCULE-7832638473 [0,1,0,1,0,0|2,0,0]=4 886 B11R1.28 NCCCOC1CCCCO1 MCULE-7642992158 [0,1,0,1,0,0|2,0,0]=4 887 B11R1.28 OCCCOC1CCCCC1 MCULE-3209317348 [0,1,0,1,0,0|2,0,0]=4 888 B11R1.47 CCCOCCOC1CNC1 MCULE-2421131463 [0,1,0,1,0,0|2,0,0]=4 889 B11R1.47 OCCOCCNC1CCC1 MCULE-1318919936 [0,1,0,1,0,0|2,0,0]=4 890 B11R1.109 COCC1CCCN1CCO MCULE-2732512568 [0,1,0,1,0,0|2,0,0]=4 891 B11R1.109 COC[C@@H]1CCCN1CCO MCULE-1755347479 [0,1,0,1,0,0|2,0,0]=4 892 B11R1.203 OCCOC1CCCCCC1 MCULE-7377327373 [0,1,0,1,0,0|2,0,0]=4 893 B11R1.25 CC(CN)OCC1CCCO1 MCULE-1395955675 [0,1,0,1,0,0|2,0,0]=4 894 B11R1.756 CC1(OCCO1)CCCCCl MCULE-7174841077 [0,1,0,1,0,0|2,0,0]=4 895 B11R1.756 CC1(OCCO1)CCCCN MCULE-4388776695 [0,1,0,1,0,0|2,0,0]=4 896 B11R2.20 C1COC2CCOCC2N1 MCULE-1607459726 [0,0,0,2,0,0|2,0,0]=4 897 B11R2.20 C1COC2COCCC2N1 MCULE-2442834268 [0,0,0,2,0,0|2,0,0]=4 898 B11R2.20 C1COC2COCCC2N1 MCULE-6045784809 [0,0,0,2,0,0|2,0,0]=4 899 B11R2.20 C1CO[C@H]2COCC[C@@H]2N1 MCULE-8919377013 [0,0,0,2,0,0|2,0,0]=4 900 B11R2.20 C1CO[C@H]2COCC[C@@H]2N1 MCULE-9748565531 [0,0,0,2,0,0|2,0,0]=4 901 B11R2.20 [C@H]12CCOC[C@@H]1OCCN2 MCULE-3666694169 [0,0,0,2,0,0|2,0,0]=4 902 B11R2.20 [C@H]12CCOC[C@@H]1OCCN2 MCULE-7730248125 [0,0,0,2,0,0|2,0,0]=4 903 B11R2.1261 C1CCC2(CC1)OCCO2 MCULE-8030331281 [0,0,0,2,0,0|2,0,0]=4 904 B11R2.1261 C1CNCC2(C1)OCCO2 MCULE-5715340842 [0,0,0,2,0,0|2,0,0]=4 905 B11R2.3 BrC1CCCC12OCCO2 MCULE-2934649210 [0,0,0,2,0,0|2,0,0]=4 906 B11R2.3 NC1CCCC12OCCO2 MCULE-3333178779 [0,0,0,2,0,0|2,0,0]=4 907 B11R2.3 OC1CCCC12OCCO2 MCULE-5245894070 [0,0,0,2,0,0|1,0,0]=3 908 B11R2.15 ICC1CC2COCC2O1 MCULE-5697875493 [0,0,0,2,0,0|2,0,0]=4 909 B11R2.15 OCC1CC2CNCC2O1 MCULE-4986325524 [0,0,0,2,0,0|2,0,0]=4 910 B11R2.15 OCC1C[C@@H]2CNC[C@@H]2O1 MCULE-4375023657 [0,0,0,2,0,0|2,0,0]=4 911 B11R2.15 OCC1C[C@H]2CNC[C@H]2O1 MCULE-5364634073 [0,0,0,2,0,0|2,0,0]=4 912 B11R2.15 OCC1C[C@H]2CNC[C@H]2O1 MCULE-7082918551 [0,0,0,2,0,0|2,0,0]=4 913 B11R2.60 C12OCC(C1OCC2O)O MCULE-8180886770 [0,0,0,2,0,0|0,0,0]=2 914 B11R2.60 NC1COC2C1OCC2N MCULE-2164278939 [0,0,0,2,0,0|2,0,0]=4 915 B11R2.60 N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O MCULE-2538830532 [0,0,0,2,0,0|1,0,0]=3 916 B11R2.60 N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O MCULE-3797735300 [0,0,0,2,0,0|1,0,0]=3 917 B11R2.60 N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O MCULE-8341128703 [0,0,0,2,0,0|1,0,0]=3 918 B11R2.60 N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O MCULE-9421126086 [0,0,0,2,0,0|1,0,0]=3 919 B11R2.60 N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2N MCULE-2934941711 [0,0,0,2,0,0|2,0,0]=4 920 B11R2.60 N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2N MCULE-3442444234 [0,0,0,2,0,0|2,0,0]=4 921 B11R2.60 N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2O MCULE-1593152930 [0,0,0,2,0,0|1,0,0]=3 922 B11R2.60 N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2O MCULE-9619265856 [0,0,0,2,0,0|1,0,0]=3 923 B11R2.60 N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O MCULE-6708410013 [0,0,0,2,0,0|1,0,0]=3 924 B11R2.60 N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O MCULE-8966591020 [0,0,0,2,0,0|1,0,0]=3 925 B11R2.60 OC1CCC2C1CCC2O MCULE-2763749805 [0,0,0,2,0,0|2,0,0]=4 926 B11R2.60 O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O MCULE-4584434320 [0,0,0,2,0,0|0,0,0]=2 927 B11R2.60 O[C@H]1COC2C1OC[C@@H]2O MCULE-6428879199 [0,0,0,2,0,0|0,0,0]=2 928 B11R2.60 [C@@H]12OC[C@@H]([C@@H]1OC[C@@H]2N)N MCULE-2439751289 [0,0,0,2,0,0|2,0,0]=4 929 B11R2.60 [C@H]12OC[C@@H](C1OC[C@@H]2O)O MCULE-7605188398 [0,0,0,2,0,0|0,0,0]=2 930 B11R2.60 [C@H]12OC[C@@H]([C@H]1OC[C@@H]2N)N MCULE-1123817940 [0,0,0,2,0,0|2,0,0]=4 931 B11R2.60 [C@H]12OC[C@@H]([C@H]1OC[C@@H]2O)O MCULE-1718087553 [0,0,0,2,0,0|0,0,0]=2 932 B11R2.60 [C@H]12OC[C@H]([C@H]1OC[C@@H]2N)O MCULE-6619834345 [0,0,0,2,0,0|1,0,0]=3 933 B11R2.60 [C@H]12OC[C@H]([C@H]1OC[C@@H]2O)O MCULE-2567091829 [0,0,0,2,0,0|0,0,0]=2 934 B11R2.60 [C@H]12OC[C@H]([C@H]1OC[C@@H]2O)O MCULE-5663561305 [0,0,0,2,0,0|0,0,0]=2 935 B11R2.60 [C@H]12OC[C@H]([C@H]1OC[C@H]2O)O MCULE-9330761848 [0,0,0,2,0,0|0,0,0]=2 936 B11R2.115 OC1COCC1NC2CC2 MCULE-7930222875 [0,0,0,2,0,0|2,0,0]=4 937 B11R2.459 OC1COCC1N2CCC2 MCULE-9524089924 [0,0,0,2,0,0|2,0,0]=4 938 B11R2.1034 C(CCC1CO1)CC2CO2 MCULE-4259021688 [0,0,0,2,0,0|2,0,0]=4