0 B10R0.97 C=C(C)CCCCCC(C)C MCULE-8542920974 [0,0,0,0,0,0|3,0,1]=4 1 B10R0.97 CC(C)CCCCCC(=O)O MCULE-6934503036 [0,0,0,0,0,0|3,0,1]=4 2 B10R0.97 CC(C)CCNCCC(C)C MCULE-6245172453 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.97 CC(C)CCOCCC(C)C MCULE-3239546161 [0,0,0,0,0,0|2,0,0]=2 4 B10R0.97 CC(O)CCCCCC(=O)O MCULE-8533691013 [0,0,0,0,0,0|2,0,1]=3 5 B10R0.97 CN(C)CCOCCN(C)C MCULE-5980473655 [0,0,0,0,0,0|4,0,0]=4 6 B10R0.97 O=C(O)CCOCCC(=O)O MCULE-3213537394 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.2 C=C(C)CCCCCCC MCULE-6074571960 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.2 CC(C)CCCCCCBr MCULE-1608789467 [1,0,0,0,0,0|3,0,0]=4 9 B9R0.2 CC(C)CCCCCCN MCULE-5169278674 [1,0,0,0,0,0|3,0,0]=4 10 B9R0.2 CC(C)CCCCCCO MCULE-1311865208 [1,0,0,0,0,0|2,0,0]=3 11 B9R0.2 CC(C)CCOCCC#N MCULE-8579346666 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.2 CC(C)CCOCCCN MCULE-8121420339 [1,0,0,0,0,0|2,0,0]=3 13 B9R0.2 CC(C)NCCCCCO MCULE-7223381486 [1,0,0,0,0,0|3,0,0]=4 14 B9R0.2 CCCCCCCB(O)O MCULE-2487835239 [1,0,0,0,0,0|3,0,0]=4 15 B9R0.2 CCCCCCCC(=O)C MCULE-9635928766 [1,0,0,0,0,0|1,0,2]=4 16 B9R0.2 CCCCCCCC(=O)O MCULE-5193957469 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.2 CCCCCCCC(C)Br MCULE-1086603851 [1,0,0,0,0,0|2,0,0]=3 18 B9R0.2 CCCCCCCC(C)C MCULE-6606361985 [1,0,0,0,0,0|2,0,0]=3 19 B9R0.2 CCCCCCCC(C)N MCULE-7510062756 [1,0,0,0,0,0|2,0,0]=3 20 B9R0.2 CCCCCCCC(C)O MCULE-5218382339 [1,0,0,0,0,0|1,0,0]=2 21 B9R0.2 CCCCCCCN(C)C MCULE-8135887454 [1,0,0,0,0,0|3,0,0]=4 22 B9R0.2 CCCCCCC[C@@H](C)N MCULE-4735169409 [1,0,0,0,0,0|2,0,0]=3 23 B9R0.2 CCCCCCC[C@H](C)O MCULE-6211597611 [1,0,0,0,0,0|1,0,0]=2 24 B9R0.2 CCCCOCCC(=O)O MCULE-3735085695 [1,0,0,0,0,0|1,0,1]=3 25 B9R0.2 CCCCSCCC(=O)O MCULE-7414288717 [1,0,0,0,0,0|1,1,1]=4 26 B9R0.2 CCOCCOCC(C)O MCULE-4621055001 [1,0,0,0,0,0|3,0,0]=4 27 B9R0.2 CN(C)CCCCCCO MCULE-8600373924 [1,0,0,0,0,0|3,0,0]=4 28 B9R0.2 CNCCOCCC(=O)O MCULE-6581967922 [1,0,0,0,0,0|2,0,1]=4 29 B9R0.2 COCCOCCC(=O)O MCULE-5125891492 [1,0,0,0,0,0|2,0,1]=4 30 B9R0.2 COCCOCCN(C)C MCULE-1406421848 [1,0,0,0,0,0|3,0,0]=4 31 B9R0.2 O=C(O)CCCCCCO MCULE-7270362706 [1,0,0,0,0,0|2,0,1]=4 32 B11R0.6 CC(C)CC(C)OCCC(=O)O MCULE-4423089311 [0,1,0,0,0,0|2,0,1]=4 33 B11R0.6 CC(C)CCOC(=O)CC(C)C MCULE-9963100536 [0,1,0,0,0,0|2,0,1]=4 34 B11R0.6 CC(O)CCOC(=O)CC(C)O MCULE-6844543311 [0,1,0,0,0,0|0,0,1]=2 35 B11R0.6 C[C@@H](O)CCOC(=O)C[C@@H](C)O MCULE-6967462238 [0,1,0,0,0,0|0,0,1]=2 36 B11R0.6 C[C@@H](O)CCOC(=O)C[C@@H](C)O MCULE-9701726796 [0,1,0,0,0,0|0,0,1]=2 37 B11R0.85 CC(C)CCC(=O)CCC(C)C MCULE-4003966230 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.75 CC1CCC(O1)CCC(=O)O MCULE-5394626301 [0,0,0,1,0,0|2,0,1]=4 39 B11R1.157 CC(C)CC1CC(CCO1)N MCULE-7750593786 [0,0,0,1,0,0|2,0,0]=3 40 B11R1.157 NC1CCOC(C1)CC(=O)O MCULE-1365112311 [0,0,0,1,0,0|2,0,1]=4 41 B11R1.157 NC1CCOC(C1)CC(=O)O MCULE-9509541900 [0,0,0,1,0,0|2,0,1]=4 42 B11R1.497 O=C(O)C1CCCCC(C1)O MCULE-8775414897 [0,0,0,1,0,0|2,0,1]=4 43 B9R0.55 CC(=O)CCCCC(C)C MCULE-8847308651 [0,0,0,0,1,0|1,0,2]=4 44 B9R0.55 CC(=O)CCOCC(C)C MCULE-8673860656 [0,0,0,0,1,0|1,0,2]=4 45 B9R0.55 CC(C)CCCCC(=O)O MCULE-9552597130 [0,0,0,0,1,0|2,0,1]=4 46 B9R0.55 CC(C)CCCCC(C)C MCULE-2916402516 [0,0,0,0,1,0|2,0,0]=3 47 B9R0.55 CC(C)CCOCC(=O)O MCULE-8263995178 [0,0,0,0,1,0|2,0,1]=4 48 B9R0.55 CC(C)COCCC(=O)O MCULE-6429199224 [0,0,0,0,1,0|2,0,1]=4 49 B9R0.55 CC(N)CCCCC(=O)O MCULE-3306602652 [0,0,0,0,1,0|2,0,1]=4 50 B9R0.55 CC(N)CCCCC(=O)O MCULE-3909320120 [0,0,0,0,1,0|2,0,1]=4 51 B9R0.55 CC(N)CCCCC(C)N MCULE-6403395102 [0,0,0,0,1,0|2,0,0]=3 52 B11R0.30 CC(C)CCC#CCCC(C)C MCULE-3182384346 [0,0,0,0,0,1|3,0,0]=4 53 B11R0.30 CC(C)CCSSCCC(C)C MCULE-1548058246 [0,0,0,0,0,1|2,1,0]=4 54 B11R0.30 CC(O)CCCCCCC(=O)O MCULE-7012579621 [0,0,0,0,0,1|2,0,1]=4 55 B8R0.4 BrCCCOCCCBr MCULE-7546792867 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.4 CCC/C=C\CCCC MCULE-1534641855 [2,0,0,0,0,0|1,0,1]=4 57 B8R0.4 CCCC/C=C\CCO MCULE-5021089657 [2,0,0,0,0,0|1,0,1]=4 58 B8R0.4 CCCC=CCCCC MCULE-6609949802 [2,0,0,0,0,0|1,0,1]=4 59 B8R0.4 CCCCBCCCC MCULE-3163100787 [2,0,0,0,0,0|1,0,0]=3 60 B8R0.4 CCCCBCCCC MCULE-6578781762 [2,0,0,0,0,0|1,0,0]=3 61 B8R0.4 CCCCC#CCCO MCULE-6156677538 [2,0,0,0,0,0|1,0,1]=4 62 B8R0.4 CCCCC=CCCO MCULE-5187523035 [2,0,0,0,0,0|1,0,1]=4 63 B8R0.4 CCCCCCCCBr MCULE-7484248707 [2,0,0,0,0,0|2,0,0]=4 64 B8R0.4 CCCCCCCCC MCULE-1865327912 [2,0,0,0,0,0|1,0,0]=3 65 B8R0.4 CCCCCCCCCl MCULE-5953637232 [2,0,0,0,0,0|2,0,0]=4 66 B8R0.4 CCCCCCCCF MCULE-5641912511 [2,0,0,0,0,0|2,0,0]=4 67 B8R0.4 CCCCCCCCI MCULE-7304806902 [2,0,0,0,0,0|2,0,0]=4 68 B8R0.4 CCCCCCCCN MCULE-6095227778 [2,0,0,0,0,0|2,0,0]=4 69 B8R0.4 CCCCCCCCN MCULE-7012389700 [2,0,0,0,0,0|2,0,0]=4 70 B8R0.4 CCCCCCCCN MCULE-7076053015 [2,0,0,0,0,0|2,0,0]=4 71 B8R0.4 CCCCCCCCO MCULE-2656577895 [2,0,0,0,0,0|1,0,0]=3 72 B8R0.4 CCCCCCCCS MCULE-5212273874 [2,0,0,0,0,0|1,1,0]=4 73 B8R0.4 CCCCCCCNC MCULE-1143610772 [2,0,0,0,0,0|2,0,0]=4 74 B8R0.4 CCCCCCCSC MCULE-5211260102 [2,0,0,0,0,0|2,0,0]=4 75 B8R0.4 CCCCCCSCC MCULE-1449428108 [2,0,0,0,0,0|2,0,0]=4 76 B8R0.4 CCCCCNCCC MCULE-7697830316 [2,0,0,0,0,0|2,0,0]=4 77 B8R0.4 CCCCCNCCO MCULE-7662965930 [2,0,0,0,0,0|2,0,0]=4 78 B8R0.4 CCCCCOCCO MCULE-3393695257 [2,0,0,0,0,0|2,0,0]=4 79 B8R0.4 CCCCCSCCO MCULE-1239137782 [2,0,0,0,0,0|2,0,0]=4 80 B8R0.4 CCCCNCCCC MCULE-1338595384 [2,0,0,0,0,0|1,0,0]=3 81 B8R0.4 CCCCNCCCC MCULE-4720016177 [2,0,0,0,0,0|1,0,0]=3 82 B8R0.4 CCCCNCCCC MCULE-6002936904 [2,0,0,0,0,0|1,0,0]=3 83 B8R0.4 CCCCNCCCC MCULE-8673755112 [2,0,0,0,0,0|1,0,0]=3 84 B8R0.4 CCCCNCCCCl MCULE-6595599220 [2,0,0,0,0,0|2,0,0]=4 85 B8R0.4 CCCCNCCCCl MCULE-8225115019 [2,0,0,0,0,0|2,0,0]=4 86 B8R0.4 CCCCNCCCN MCULE-6098022466 [2,0,0,0,0,0|2,0,0]=4 87 B8R0.4 CCCCNCCCO MCULE-7171357018 [2,0,0,0,0,0|1,0,0]=3 88 B8R0.4 CCCCNCCOC MCULE-5142206385 [2,0,0,0,0,0|2,0,0]=4 89 B8R0.4 CCCCOCCC#N MCULE-6848830768 [2,0,0,0,0,0|1,0,1]=4 90 B8R0.4 CCCCOCCCC MCULE-8568026186 [2,0,0,0,0,0|0,0,0]=2 91 B8R0.4 CCCCOCCCN MCULE-2107763231 [2,0,0,0,0,0|1,0,0]=3 92 B8R0.4 CCCCOCCCO MCULE-2797403638 [2,0,0,0,0,0|0,0,0]=2 93 B8R0.4 CCCCOCCOC MCULE-4497601798 [2,0,0,0,0,0|1,0,0]=3 94 B8R0.4 CCCCSCCCC MCULE-3121918458 [2,0,0,0,0,0|0,1,0]=3 95 B8R0.4 CCCCSCCCN MCULE-6519812920 [2,0,0,0,0,0|1,1,0]=4 96 B8R0.4 CCCC[NH2+]CCCC MCULE-4333811997 [2,0,0,0,0,0|1,0,0]=3 97 B8R0.4 CCCC[NH2+]CCCC MCULE-8030655880 [2,0,0,0,0,0|1,0,0]=3 98 B8R0.4 CNCCCCCCO MCULE-2582847385 [2,0,0,0,0,0|2,0,0]=4 99 B8R0.4 CNCCOCCNC MCULE-3244205178 [2,0,0,0,0,0|2,0,0]=4 100 B8R0.4 CNCCOCCOC MCULE-7587397318 [2,0,0,0,0,0|2,0,0]=4 101 B8R0.4 COCCCCCCO MCULE-5454628686 [2,0,0,0,0,0|2,0,0]=4 102 B8R0.4 COCCNCCCO MCULE-9359795449 [2,0,0,0,0,0|2,0,0]=4 103 B8R0.4 COCCOCCCBr MCULE-1854114779 [2,0,0,0,0,0|2,0,0]=4 104 B8R0.4 COCCOCCCN MCULE-8835423066 [2,0,0,0,0,0|2,0,0]=4 105 B8R0.4 COCCOCCCO MCULE-7732325457 [2,0,0,0,0,0|1,0,0]=3 106 B8R0.4 COCCOCCOC MCULE-8598811835 [2,0,0,0,0,0|2,0,0]=4 107 B8R0.4 CSCCCCCCO MCULE-1590282643 [2,0,0,0,0,0|2,0,0]=4 108 B8R0.4 ClCCCOCCCCl MCULE-9363066168 [2,0,0,0,0,0|2,0,0]=4 109 B8R0.4 N#CCCOCCCO MCULE-5612403579 [2,0,0,0,0,0|1,0,1]=4 110 B8R0.4 NCCCCCCCO MCULE-6098435698 [2,0,0,0,0,0|2,0,0]=4 111 B8R0.4 NCCCCCCCO MCULE-8352830275 [2,0,0,0,0,0|2,0,0]=4 112 B8R0.4 NCCCNCCCO MCULE-1085206494 [2,0,0,0,0,0|2,0,0]=4 113 B8R0.4 NCCCOCCCN MCULE-5378554478 [2,0,0,0,0,0|2,0,0]=4 114 B8R0.4 NCCCOCCCO MCULE-9489688996 [2,0,0,0,0,0|1,0,0]=3 115 B8R0.4 OCCCCCCCBr MCULE-2559114853 [2,0,0,0,0,0|2,0,0]=4 116 B8R0.4 OCCCCCCCCl MCULE-4143586059 [2,0,0,0,0,0|2,0,0]=4 117 B8R0.4 OCCCCCCCI MCULE-3420024644 [2,0,0,0,0,0|2,0,0]=4 118 B8R0.4 OCCCCCCCO MCULE-1201837142 [2,0,0,0,0,0|1,0,0]=3 119 B8R0.4 OCCCNCCCO MCULE-1813882908 [2,0,0,0,0,0|1,0,0]=3 120 B8R0.4 OCCCNCCCO MCULE-4567401301 [2,0,0,0,0,0|1,0,0]=3 121 B8R0.4 OCCCOCCCCl MCULE-9999003892 [2,0,0,0,0,0|1,0,0]=3 122 B8R0.4 OCCCOCCCO MCULE-2894245516 [2,0,0,0,0,0|0,0,0]=2 123 B8R0.4 OCCCSCCCO MCULE-2025331376 [2,0,0,0,0,0|0,1,0]=3 124 B8R0.7 C=C(C)CCCCCC MCULE-2243788093 [2,0,0,0,0,0|1,0,1]=4 125 B8R0.7 CC(C)CCCCCBr MCULE-6339659463 [2,0,0,0,0,0|2,0,0]=4 126 B8R0.7 CC(C)CCCCCN MCULE-4764798524 [2,0,0,0,0,0|2,0,0]=4 127 B8R0.7 CC(C)CCCCCO MCULE-2133434329 [2,0,0,0,0,0|1,0,0]=3 128 B8R0.7 CC(C)CCNCCO MCULE-7584613000 [2,0,0,0,0,0|2,0,0]=4 129 B8R0.7 CC(C)CCOCCCl MCULE-6456640636 [2,0,0,0,0,0|2,0,0]=4 130 B8R0.7 CC(C)CCOCCN MCULE-2357363560 [2,0,0,0,0,0|2,0,0]=4 131 B8R0.7 CC(C)CCOCCO MCULE-2905905370 [2,0,0,0,0,0|1,0,0]=3 132 B8R0.7 CC(C)CNCCCO MCULE-2271519808 [2,0,0,0,0,0|2,0,0]=4 133 B8R0.7 CC(C)COCCCN MCULE-1113222381 [2,0,0,0,0,0|2,0,0]=4 134 B8R0.7 CC(C)COCCCO MCULE-8827861403 [2,0,0,0,0,0|1,0,0]=3 135 B8R0.7 CC(C)CSCCCO MCULE-8186559992 [2,0,0,0,0,0|1,1,0]=4 136 B8R0.7 CC(C)NCCCCO MCULE-2420054943 [2,0,0,0,0,0|2,0,0]=4 137 B8R0.7 CC(C)OCCCCO MCULE-7834967841 [2,0,0,0,0,0|2,0,0]=4 138 B8R0.7 CCCCCCB(O)O MCULE-6503959495 [2,0,0,0,0,0|2,0,0]=4 139 B8R0.7 CCCCCCC(=O)C MCULE-1152821440 [2,0,0,0,0,0|0,0,2]=4 140 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [2,0,0,0,0,0|1,0,1]=4 141 B8R0.7 CCCCCCC(Br)Br MCULE-5790254532 [2,0,0,0,0,0|2,0,0]=4 142 B8R0.7 CCCCCCC(C)Br MCULE-1528804584 [2,0,0,0,0,0|1,0,0]=3 143 B8R0.7 CCCCCCC(C)C MCULE-5799144994 [2,0,0,0,0,0|1,0,0]=3 144 B8R0.7 CCCCCCC(C)I MCULE-1825555561 [2,0,0,0,0,0|1,0,0]=3 145 B8R0.7 CCCCCCC(C)N MCULE-9884342317 [2,0,0,0,0,0|1,0,0]=3 146 B8R0.7 CCCCCCC(C)O MCULE-4635370769 [2,0,0,0,0,0|0,0,0]=2 147 B8R0.7 CCCCCCC(C)O MCULE-5095200181 [2,0,0,0,0,0|0,0,0]=2 148 B8R0.7 CCCCCCN(C)C MCULE-4445968611 [2,0,0,0,0,0|2,0,0]=4 149 B8R0.7 CCCCCC[C@@H](C)N MCULE-1174114183 [2,0,0,0,0,0|1,0,0]=3 150 B8R0.7 CCCCCC[C@@H](C)N MCULE-2566479481 [2,0,0,0,0,0|1,0,0]=3 151 B8R0.7 CCCCCC[C@@H](C)N MCULE-9213725375 [2,0,0,0,0,0|1,0,0]=3 152 B8R0.7 CCCCCC[C@@H](C)O MCULE-5245235461 [2,0,0,0,0,0|0,0,0]=2 153 B8R0.7 CCCCCC[C@@H](C)O MCULE-8537503782 [2,0,0,0,0,0|0,0,0]=2 154 B8R0.7 CCCCCC[C@H](C)N MCULE-1870649953 [2,0,0,0,0,0|1,0,0]=3 155 B8R0.7 CCCCCC[C@H](C)N MCULE-1893221172 [2,0,0,0,0,0|1,0,0]=3 156 B8R0.7 CCCCCC[C@H](C)N MCULE-7722036180 [2,0,0,0,0,0|1,0,0]=3 157 B8R0.7 CCCCCC[C@H](C)O MCULE-2655815413 [2,0,0,0,0,0|0,0,0]=2 158 B8R0.7 CCCCCC[C@H](C)O MCULE-7784149103 [2,0,0,0,0,0|0,0,0]=2 159 B8R0.7 CCCCCNC(C)C MCULE-7953510120 [2,0,0,0,0,0|2,0,0]=4 160 B8R0.7 CCCCNCC(C)C MCULE-9792329369 [2,0,0,0,0,0|2,0,0]=4 161 B8R0.7 CCCCNCC(C)O MCULE-3151408580 [2,0,0,0,0,0|1,0,0]=3 162 B8R0.7 CCCCOCC(=O)O MCULE-9634255761 [2,0,0,0,0,0|1,0,1]=4 163 B8R0.7 CCCCOCC(C)O MCULE-6350800869 [2,0,0,0,0,0|0,0,0]=2 164 B8R0.7 CCCCSCC(C)C MCULE-3062170002 [2,0,0,0,0,0|1,1,0]=4 165 B8R0.7 CCCOCCC(=O)O MCULE-1927238608 [2,0,0,0,0,0|1,0,1]=4 166 B8R0.7 CN(C)CCCCCO MCULE-4442986563 [2,0,0,0,0,0|2,0,0]=4 167 B8R0.7 CN(C)CCOCCO MCULE-9950253229 [2,0,0,0,0,0|2,0,0]=4 168 B8R0.7 COCCOCC(C)N MCULE-5569346034 [2,0,0,0,0,0|2,0,0]=4 169 B8R0.7 COCCOCC(C)N MCULE-8825273341 [2,0,0,0,0,0|2,0,0]=4 170 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [2,0,0,0,0,0|1,0,1]=4 171 B8R0.7 O=C(O)CCOCCO MCULE-7271806926 [2,0,0,0,0,0|1,0,1]=4 172 B8R0.7 OCCCOCC(F)F MCULE-9624085410 [2,0,0,0,0,0|2,0,0]=4 173 B8R0.7 [NH2+](CCCC)CC(C)C MCULE-7018223822 [2,0,0,0,0,0|2,0,0]=4 174 B10R0.3 CC(C)CCCC(C)CCO MCULE-5211094918 [1,1,0,0,0,0|2,0,0]=4 175 B10R0.3 CC(C)CCC[C@@H](C)CCO MCULE-8471234291 [1,1,0,0,0,0|2,0,0]=4 176 B10R0.3 CC(C)CCC[C@H](C)CCO MCULE-4390684031 [1,1,0,0,0,0|2,0,0]=4 177 B10R0.3 CC(C)CCC[C@H](C)CCO MCULE-8890978344 [1,1,0,0,0,0|2,0,0]=4 178 B10R0.3 CCCC(=O)OCCC(C)C MCULE-8558213018 [1,1,0,0,0,0|1,0,1]=4 179 B10R0.3 CCCC(C)CCCC(C)C MCULE-5494511129 [1,1,0,0,0,0|2,0,0]=4 180 B10R0.4 C=CCCCCCCC(C)O MCULE-8946172514 [1,1,0,0,0,0|1,0,1]=4 181 B10R0.4 C=CCCCCCC[C@@H](C)O MCULE-8592463039 [1,1,0,0,0,0|1,0,1]=4 182 B10R0.4 C=CCCCCCC[C@@H](C)O MCULE-9140993826 [1,1,0,0,0,0|1,0,1]=4 183 B10R0.4 C=CCCCCCC[C@H](C)O MCULE-8109598857 [1,1,0,0,0,0|1,0,1]=4 184 B10R0.4 CC(C)CCCCCCCO MCULE-6712139024 [1,1,0,0,0,0|2,0,0]=4 185 B10R0.4 CC(O)COCCOCCO MCULE-2801259384 [1,1,0,0,0,0|2,0,0]=4 186 B10R0.4 CCCCCCCCC(C)C MCULE-3505579656 [1,1,0,0,0,0|2,0,0]=4 187 B10R0.4 CCCCCCCCC(C)O MCULE-3577613701 [1,1,0,0,0,0|1,0,0]=3 188 B10R0.4 CCCCCCCC[C@@H](C)Br MCULE-8624556030 [1,1,0,0,0,0|2,0,0]=4 189 B10R0.4 CCCCCCCC[C@@H](C)O MCULE-6511994487 [1,1,0,0,0,0|1,0,0]=3 190 B10R0.4 CCCCCCCC[C@H](C)O MCULE-7200709868 [1,1,0,0,0,0|1,0,0]=3 191 B10R0.4 CCCCCCNCC(C)O MCULE-5617215322 [1,1,0,0,0,0|1,0,0]=3 192 B10R0.4 CCCCNCCNC(C)C MCULE-5788391949 [1,1,0,0,0,0|2,0,0]=4 193 B10R0.4 CCCCOCCOC(=O)C MCULE-4906127008 [1,1,0,0,0,0|0,0,2]=4 194 B10R0.4 CCOCCOCCC(=O)O MCULE-7483626719 [1,1,0,0,0,0|1,0,1]=4 195 B10R0.4 COCCCOCCC(=O)O MCULE-5178930362 [1,1,0,0,0,0|1,0,1]=4 196 B10R0.4 COCCOCCOC(C)C MCULE-7887613911 [1,1,0,0,0,0|2,0,0]=4 197 B10R0.4 [C@H](C)(O)CCCCCCCC MCULE-7849954701 [1,1,0,0,0,0|1,0,0]=3 198 B10R0.6 CCCCOC(=O)CC(C)C MCULE-9654609926 [1,1,0,0,0,0|1,0,1]=4 199 B10R0.22 CC(C)(C)CCCCCCO MCULE-1996392079 [1,1,0,0,0,0|2,0,0]=4 200 B10R0.22 CCCCCCCC(C)(C)Cl MCULE-2804303739 [1,1,0,0,0,0|2,0,0]=4 201 B10R0.74 C=CC(O)CCCCCCC MCULE-2034118054 [1,1,0,0,0,0|1,0,1]=4 202 B10R0.74 CCCCCCCC(C)C=O MCULE-6740449093 [1,1,0,0,0,0|1,0,1]=4 203 B10R0.74 CCCCCCCC(C)CN MCULE-7311446663 [1,1,0,0,0,0|2,0,0]=4 204 B10R0.74 CCCCCCCC(N)CC MCULE-5023964032 [1,1,0,0,0,0|2,0,0]=4 205 B10R0.74 CCCCCCCC(O)CC MCULE-5420300699 [1,1,0,0,0,0|1,0,0]=3 206 B10R0.74 CCCCCCCC(O)CO MCULE-4511310759 [1,1,0,0,0,0|1,0,0]=3 207 B10R0.74 CCCCCCC[C@@H](C)CC MCULE-8718967535 [1,1,0,0,0,0|2,0,0]=4 208 B10R0.74 COC(=O)CCOCCCO MCULE-5017264772 [1,1,0,0,0,0|0,0,2]=4 209 B10R0.74 OCCCCCCC(O)CO MCULE-1673794211 [1,1,0,0,0,0|1,0,0]=3 210 B10R0.98 CC(C)CCOC(=O)C(C)O MCULE-8529345283 [0,1,0,0,1,0|1,0,1]=4 211 B12R0.44 CC(O)COCC(C)OCC(C)O MCULE-3867184251 [0,1,0,0,0,1|2,0,0]=4 212 B10R1.10 CC1CCCC(C1)CCO MCULE-3392494912 [1,0,0,1,0,0|2,0,0]=4 213 B10R1.10 CC1CCCC(N1)CCO MCULE-4766323932 [1,0,0,1,0,0|2,0,0]=4 214 B10R1.10 CCCC1CC(=O)CCO1 MCULE-7566764510 [1,0,0,1,0,0|0,0,2]=4 215 B10R1.10 CCCC1CCCC(C1)O MCULE-6301598723 [1,0,0,1,0,0|1,0,0]=3 216 B10R1.10 CCCC1OCCC(O1)C MCULE-3633116962 [1,0,0,1,0,0|0,0,0]=2 217 B10R1.10 CCCN1CCCC(C1)O MCULE-9636518836 [1,0,0,1,0,0|2,0,0]=4 218 B10R1.10 CCOC1CCCC(C1)O MCULE-1581883320 [1,0,0,1,0,0|2,0,0]=4 219 B10R1.10 CN1CCOC(C1)CCO MCULE-4234929073 [1,0,0,1,0,0|2,0,0]=4 220 B10R1.16 CCCCC1CCC(C1)N MCULE-6344946035 [1,0,0,1,0,0|2,0,0]=4 221 B10R1.16 CCCCC1OCC(O1)C MCULE-6055464693 [1,0,0,1,0,0|2,0,0]=4 222 B10R1.16 CCCCN1CCC(C1)N MCULE-3220985961 [1,0,0,1,0,0|2,0,0]=4 223 B10R1.16 CCCCN1CCC(C1)N MCULE-5009108657 [1,0,0,1,0,0|2,0,0]=4 224 B10R1.16 COCCN1CCC(C1)O MCULE-5083784954 [1,0,0,1,0,0|2,0,0]=4 225 B10R1.16 NCCCN1CC[C@H](C1)O MCULE-6127930765 [1,0,0,1,0,0|2,0,0]=4 226 B10R1.16 OC1CCN(C1)CCCF MCULE-8123735655 [1,0,0,1,0,0|2,0,0]=4 227 B10R1.16 O[C@@H]1CCN(C1)CCCF MCULE-3786405733 [1,0,0,1,0,0|2,0,0]=4 228 B10R1.16 O[C@@H]1CCN(C1)CCCF MCULE-6345512047 [1,0,0,1,0,0|2,0,0]=4 229 B10R1.16 O[C@H]1CCN(C1)CCCF MCULE-9214253281 [1,0,0,1,0,0|2,0,0]=4 230 B10R1.18 CC(=O)CC1CCCCO1 MCULE-1058487646 [1,0,0,1,0,0|0,0,2]=4 231 B10R1.18 CC(C)CC1CCCCC1 MCULE-9687600634 [1,0,0,1,0,0|2,0,0]=4 232 B10R1.18 CC(C)CC1CCCCN1 MCULE-1467274161 [1,0,0,1,0,0|2,0,0]=4 233 B10R1.18 CC(C)CC1CCCCN1 MCULE-5745126609 [1,0,0,1,0,0|2,0,0]=4 234 B10R1.18 CC(C)CC1CNCCO1 MCULE-2783605006 [1,0,0,1,0,0|2,0,0]=4 235 B10R1.18 CC(C)CC1CNCCO1 MCULE-7074146670 [1,0,0,1,0,0|2,0,0]=4 236 B10R1.18 CC(C)C[C@@H]1CNCCO1 MCULE-9477425017 [1,0,0,1,0,0|2,0,0]=4 237 B10R1.18 CC(C)C[C@H]1CNCCO1 MCULE-2110995210 [1,0,0,1,0,0|2,0,0]=4 238 B10R1.18 CC(C)OC1CCCCO1 MCULE-3524726390 [1,0,0,1,0,0|2,0,0]=4 239 B10R1.18 CC(N)CC1CCCCC1 MCULE-1142500303 [1,0,0,1,0,0|2,0,0]=4 240 B10R1.18 CC(N)CC1CCCCC1 MCULE-4437610086 [1,0,0,1,0,0|2,0,0]=4 241 B10R1.18 CC(O)CC1CCCCN1 MCULE-5900716273 [1,0,0,1,0,0|1,0,0]=3 242 B10R1.18 CC(O)CC1CCNCC1 MCULE-1313929313 [1,0,0,1,0,0|2,0,0]=4 243 B10R1.18 CC(O)CC1CCNCC1 MCULE-5363721367 [1,0,0,1,0,0|2,0,0]=4 244 B10R1.18 CC(O)CC1CCOCC1 MCULE-9609138177 [1,0,0,1,0,0|2,0,0]=4 245 B10R1.18 CC(O)CC1COCCN1 MCULE-9693602239 [1,0,0,1,0,0|2,0,0]=4 246 B10R1.18 CC(O)CN1CCCCC1 MCULE-1185747422 [1,0,0,1,0,0|2,0,0]=4 247 B10R1.18 C[C@@H](O)CC1CCCCC1 MCULE-4273662766 [1,0,0,1,0,0|1,0,0]=3 248 B10R1.18 C[C@H](N)CC1CCCCC1 MCULE-7692733032 [1,0,0,1,0,0|2,0,0]=4 249 B10R1.18 C[C@H](N)CC1CCCCC1 MCULE-8735977904 [1,0,0,1,0,0|2,0,0]=4 250 B10R1.18 C[C@H](O)CC1CCCCC1 MCULE-7528064890 [1,0,0,1,0,0|1,0,0]=3 251 B10R1.18 O=C(O)CC1CCCCO1 MCULE-2711682647 [1,0,0,1,0,0|1,0,1]=4 252 B10R1.18 O=C(O)CC1OCCCO1 MCULE-1471723881 [1,0,0,1,0,0|1,0,1]=4 253 B10R1.38 CC1(CCCCC1CN)O MCULE-2446688175 [1,0,0,1,0,0|2,0,0]=4 254 B10R1.38 CC1(CCCCC1CN)O MCULE-7077538912 [1,0,0,1,0,0|2,0,0]=4 255 B10R1.38 CC1(CCCCC1CO)C MCULE-7687735697 [1,0,0,1,0,0|2,0,0]=4 256 B10R1.38 CC1(CCCCC1CO)N MCULE-8794835568 [1,0,0,1,0,0|2,0,0]=4 257 B10R1.38 CC1(CCCCC1CO)N MCULE-9362873841 [1,0,0,1,0,0|2,0,0]=4 258 B10R1.38 CC1(CCNCC1CO)C MCULE-2396583075 [1,0,0,1,0,0|2,0,0]=4 259 B10R1.38 OCC1COCCC1(F)F MCULE-1714412447 [1,0,0,1,0,0|2,0,0]=4 260 B10R1.61 CC(C)C1CCCCC1O MCULE-6525691022 [1,0,0,1,0,0|2,0,0]=4 261 B10R1.61 CC(C)C1COCCC1O MCULE-2260789002 [1,0,0,1,0,0|1,0,0]=3 262 B10R1.61 CC(N)C1CCCCC1C MCULE-6161457111 [1,0,0,1,0,0|2,0,0]=4 263 B10R1.66 CC(N)CCC1CCCC1 MCULE-2436453972 [1,0,0,1,0,0|2,0,0]=4 264 B10R1.66 CC(N)CCC1CCCC1 MCULE-6147971168 [1,0,0,1,0,0|2,0,0]=4 265 B10R1.66 CC(N)CCC1CCCO1 MCULE-7340575690 [1,0,0,1,0,0|2,0,0]=4 266 B10R1.66 CC(N)CCN1CCCC1 MCULE-4571706706 [1,0,0,1,0,0|2,0,0]=4 267 B10R1.66 CC(O)CCC1CCCO1 MCULE-9471233943 [1,0,0,1,0,0|1,0,0]=3 268 B10R1.66 CC(O)CCN1CCCC1 MCULE-4044061046 [1,0,0,1,0,0|1,0,0]=3 269 B10R1.66 CC(O)CCN1CCCC1 MCULE-9858317853 [1,0,0,1,0,0|1,0,0]=3 270 B10R1.126 O=C(O)CCOCC1CC1 MCULE-4509324999 [1,0,0,1,0,0|1,0,1]=4 271 B10R1.127 CC(C)CCOC1CNC1 MCULE-1724465819 [1,0,0,1,0,0|2,0,0]=4 272 B10R1.127 CC(C)CCOC1CNC1 MCULE-7748574734 [1,0,0,1,0,0|2,0,0]=4 273 B10R1.177 BrCCCCCCC1CO1 MCULE-4242614416 [1,0,0,1,0,0|2,0,0]=4 274 B10R1.177 CCCCCOCC1CO1 MCULE-3592121965 [1,0,0,1,0,0|2,0,0]=4 275 B10R1.300 CC1CCNCCC1(C)O MCULE-1269128735 [1,0,0,1,0,0|1,0,0]=3 276 B10R1.300 CC1CCNCCC1(C)O MCULE-5064088797 [1,0,0,1,0,0|1,0,0]=3 277 B10R1.300 CC1CNCCCC1(C)O MCULE-1738268059 [1,0,0,1,0,0|2,0,0]=4 278 B10R1.300 CC1CNCCCC1(C)O MCULE-8223073613 [1,0,0,1,0,0|2,0,0]=4 279 B10R1.348 CC(C)C1CNCCCO1 MCULE-8475673405 [1,0,0,1,0,0|2,0,0]=4 280 B10R1.348 CC(O)C1CCCCCC1 MCULE-6112396200 [1,0,0,1,0,0|1,0,0]=3 281 B10R1.348 C[C@@H](N)C1CCCCCC1 MCULE-1599761893 [1,0,0,1,0,0|2,0,0]=4 282 B10R1.348 C[C@@H](N)C1CCCCCC1 MCULE-9667159490 [1,0,0,1,0,0|2,0,0]=4 283 B10R1.348 C[C@@H](O)C1CCCCCC1 MCULE-7903519728 [1,0,0,1,0,0|1,0,0]=3 284 B10R1.348 C[C@H](N)C1CCCCCC1 MCULE-4475691381 [1,0,0,1,0,0|2,0,0]=4 285 B10R1.348 C[C@H](N)C1CCCCCC1 MCULE-7857089254 [1,0,0,1,0,0|2,0,0]=4 286 B10R1.348 C[C@H](O)C1CCCCCC1 MCULE-5041888426 [1,0,0,1,0,0|1,0,0]=3 287 B10R1.54 CC(C)CC1CCC(C1)N MCULE-7060889690 [0,0,0,1,1,0|2,0,0]=4 288 B10R1.54 CC(C)CC1OCC(O1)C MCULE-6784853183 [0,0,0,1,1,0|1,0,0]=3 289 B10R1.54 CC1CCC(O1)CC(=O)O MCULE-8857014749 [0,0,0,1,1,0|1,0,1]=4 290 B10R1.54 O=C(O)CC1CCC(C1)O MCULE-1306554926 [0,0,0,1,1,0|1,0,1]=4 291 B10R1.54 O=C(O)C[C@@H]1CC[C@@H](C1)O MCULE-2394601749 [0,0,0,1,1,0|1,0,1]=4 292 B10R1.82 OC1CC(C1)OCC(F)F MCULE-6377488125 [0,0,0,1,1,0|2,0,0]=4 293 B10R1.113 CC(C)C1CC(CCN1)O MCULE-2341644755 [0,0,0,1,1,0|2,0,0]=4 294 B10R1.113 CC(C)C1CC(CCO1)N MCULE-5835823074 [0,0,0,1,1,0|2,0,0]=4 295 B10R1.113 CC(C)C1CCCC(C1)N MCULE-1321967962 [0,0,0,1,1,0|2,0,0]=4 296 B10R1.113 CC(C)C1CCNC(C1)O MCULE-6079198344 [0,0,0,1,1,0|2,0,0]=4 297 B10R1.113 CC(C)N1CCCC(C1)O MCULE-7089799596 [0,0,0,1,1,0|2,0,0]=4 298 B10R1.113 CC(C)[C@@H]1C[C@@H](CCN1)O MCULE-2946595963 [0,0,0,1,1,0|2,0,0]=4 299 B10R1.113 CC(C)[C@@H]1C[C@@H](CCN1)O MCULE-3688499788 [0,0,0,1,1,0|2,0,0]=4 300 B10R1.113 CC(C)[C@@H]1C[C@H](CCN1)O MCULE-8503863337 [0,0,0,1,1,0|2,0,0]=4 301 B10R1.113 CC(C)[C@H]1CNC[C@H](O1)C MCULE-9482361706 [0,0,0,1,1,0|2,0,0]=4 302 B10R1.113 CC(C)[C@H]1C[C@@H](CCN1)O MCULE-6741577201 [0,0,0,1,1,0|2,0,0]=4 303 B10R1.113 CC(C)[C@H]1C[C@H](CCN1)O MCULE-5784918402 [0,0,0,1,1,0|2,0,0]=4 304 B10R1.113 CC1CCCC(C1)[C@H](C)N MCULE-4542527256 [0,0,0,1,1,0|2,0,0]=4 305 B10R1.113 CC1CCCC(C1)[C@H](C)N MCULE-8607248780 [0,0,0,1,1,0|2,0,0]=4 306 B10R1.113 CC1CCCC(O1)C(=O)O MCULE-2545962496 [0,0,0,1,1,0|1,0,1]=4 307 B10R1.113 CC1CCNC(C1)C(C)O MCULE-6816426503 [0,0,0,1,1,0|2,0,0]=4 308 B10R1.113 CN(C)C1CCCC(C1)O MCULE-1003295252 [0,0,0,1,1,0|2,0,0]=4 309 B10R1.113 CN(C)C1CCCC(C1)O MCULE-7803138748 [0,0,0,1,1,0|2,0,0]=4 310 B10R1.113 CN(C)[C@@H]1CCC[C@@H](C1)O MCULE-2840862212 [0,0,0,1,1,0|2,0,0]=4 311 B10R1.113 CN(C)[C@@H]1CCC[C@@H](C1)O MCULE-5839886381 [0,0,0,1,1,0|2,0,0]=4 312 B10R1.113 CN(C)[C@@H]1CCC[C@@H](C1)O MCULE-7903143819 [0,0,0,1,1,0|2,0,0]=4 313 B10R1.113 CN(C)[C@@H]1CCC[C@@H](C1)O MCULE-9636438224 [0,0,0,1,1,0|2,0,0]=4 314 B10R1.113 CN(C)[C@H]1CCC[C@H](C1)O MCULE-5872391145 [0,0,0,1,1,0|2,0,0]=4 315 B10R1.113 CN(C)[C@H]1CCC[C@H](C1)O MCULE-7055448077 [0,0,0,1,1,0|2,0,0]=4 316 B10R1.113 CS(=O)C1CCCC(C1)O MCULE-2451665084 [0,0,0,1,1,0|1,0,1]=4 317 B10R1.113 O=C(O)C1CCCC(C1)O MCULE-9068909742 [0,0,0,1,1,0|1,0,1]=4 318 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-1509835362 [0,0,0,1,1,0|1,0,1]=4 319 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-2282540668 [0,0,0,1,1,0|1,0,1]=4 320 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-2678948022 [0,0,0,1,1,0|1,0,1]=4 321 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-6048774329 [0,0,0,1,1,0|1,0,1]=4 322 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-1308626340 [0,0,0,1,1,0|1,0,1]=4 323 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-5789638591 [0,0,0,1,1,0|1,0,1]=4 324 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3370494896 [0,0,0,1,1,0|1,0,1]=4 325 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3728932412 [0,0,0,1,1,0|1,0,1]=4 326 B10R1.113 O[C@H]1CCC[C@H](C1)C(F)F MCULE-8733459161 [0,0,0,1,1,0|2,0,0]=4 327 B10R1.276 CC1(CNCCC(C1)O)C MCULE-6374437169 [0,0,0,1,1,0|2,0,0]=4 328 B10R1.308 CC1(CCCCC1(C)N)C MCULE-2059157161 [0,0,0,1,1,0|2,0,0]=4 329 B10R1.308 CC1(CCCCC1(C)N)C MCULE-5722258137 [0,0,0,1,1,0|2,0,0]=4 330 B12R1.226 CC(O)CNC1CCCC(C1)C MCULE-6450152667 [0,0,0,1,0,1|2,0,0]=4 331 B12R1.1821 CC(C)CC1CC(CCO1)(C)O MCULE-1979897068 [0,1,0,1,0,0|1,0,0]=3 332 B12R1.836 CC(C)(C)CCN1CCC(C1)O MCULE-5059842121 [0,1,0,1,0,0|2,0,0]=4 333 B12R1.836 CC(C)(C)CCN1CCC(C1)O MCULE-8539618820 [0,1,0,1,0,0|2,0,0]=4 334 B12R1.50 COC(=O)CC1CC(CCO1)O MCULE-5521662608 [0,1,0,1,0,0|0,0,2]=4 335 B12R2.76 NC1CC(C1)N2CCC(C2)O MCULE-1488393502 [0,0,0,2,0,0|2,0,0]=4 336 B12R2.1172 O[C@@H]1CC[C@@]2(CCO[C@H]2C1)O MCULE-6264708613 [0,0,0,2,0,0|0,0,0]=2 337 B12R2.1172 [C@@H]12CC(=O)CC[C@@]1(CCO2)O MCULE-5296746074 [0,0,0,2,0,0|0,0,2]=4 338 B12R2.1172 [C@@H]12C[C@H](CC[C@@]1(CCO2)O)O MCULE-1670485790 [0,0,0,2,0,0|0,0,0]=2 339 B12R2.1172 [C@H]12CC(=O)CC[C@]1(CCO2)O MCULE-4259486972 [0,0,0,2,0,0|0,0,2]=4 340 B12R2.570 CC1(CC2CCC1C2(C)C)O MCULE-2606777112 [0,0,0,2,0,0|2,0,0]=4 341 B12R2.570 CC1(C[C@H]2CC[C@@H]1C2(C)C)O MCULE-4751681910 [0,0,0,2,0,0|2,0,0]=4 342 B12R2.5294 CC1(CCC2CC1C2(C)C)O MCULE-3492640045 [0,0,0,2,0,0|2,0,0]=4 343 B8R0.28 CC(C)CCCC(C)N MCULE-6797729647 [0,0,0,0,2,0|2,0,0]=4 344 B8R0.28 CC(C)CCCC(C)O MCULE-6655675430 [0,0,0,0,2,0|1,0,0]=3 345 B8R0.28 CC(C)CCCC(C)[NH3+] MCULE-1949973327 [0,0,0,0,2,0|2,0,0]=4 346 B8R0.28 CC(C)CNCC(C)O MCULE-5110606510 [0,0,0,0,2,0|2,0,0]=4 347 B8R0.28 CC(C)COCC(C)C MCULE-5674609142 [0,0,0,0,2,0|2,0,0]=4 348 B8R0.28 CC(C)COCC(C)O MCULE-2243697829 [0,0,0,0,2,0|1,0,0]=3 349 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [0,0,0,0,2,0|1,0,1]=4 350 B8R0.28 CC(O)CNCC(C)O MCULE-2715190259 [0,0,0,0,2,0|1,0,0]=3 351 B8R0.28 CC(O)COCC(C)O MCULE-9464290948 [0,0,0,0,2,0|0,0,0]=2