0 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [0,0,0,0,0,0|0,0,4]=4 1 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [0,0,0,0,0,0|0,0,4]=4 2 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [0,0,0,0,0,0|0,0,4]=4 3 B10R0.4 C#CCCCCOCC(=O)C 34a_100000211253_100010269958 [0,0,0,0,0,0|1,0,3]=4 4 B10R0.4 C=C(C)C=NNCCCCC 4a_100000694160_100000210575 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.4 C=C(C)C=NNCCOCC 4a_100000732670_100000210575 [0,0,0,0,0,0|4,0,0]=4 6 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [0,0,0,0,0,0|2,0,2]=4 10 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [0,0,0,0,0,0|2,0,2]=4 12 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [0,0,0,0,0,0|2,0,1]=3 13 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [0,0,0,0,0,0|3,0,1]=4 14 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [0,0,0,0,0,0|3,0,1]=4 15 B10R0.4 C=C(C)CNCCCOCC 2230a_100000210961_100000748629 [0,0,0,0,0,0|3,0,1]=4 16 B10R0.4 C=C(C)CNCCCOCC 34a_100000210961_100000748629 [0,0,0,0,0,0|3,0,1]=4 17 B10R0.4 C=C(C)CNCCOCCC 2230a_100161115042_100000748629 [0,0,0,0,0,0|3,0,1]=4 18 B10R0.4 C=C(C)CNCCOCCC 34a_100161115042_100000748629 [0,0,0,0,0,0|3,0,1]=4 19 B10R0.4 C=C(C)CNCCSCCC 2230a_100020603323_100000748629 [0,0,0,0,0,0|3,0,1]=4 20 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [0,0,0,0,0,0|3,0,1]=4 21 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [0,0,0,0,0,0|3,0,1]=4 22 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,0,0,0,0,0|2,0,1]=3 23 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,0,0,0,0,0|2,0,1]=3 24 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,0,0,0,0,0|2,0,1]=3 25 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [0,0,0,0,0,0|3,0,1]=4 26 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [0,0,0,0,0,0|3,0,1]=4 27 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [0,0,0,0,0,0|3,0,1]=4 28 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [0,0,0,0,0,0|3,0,1]=4 29 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [0,0,0,0,0,0|3,0,1]=4 30 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [0,0,0,0,0,0|3,0,1]=4 31 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [0,0,0,0,0,0|3,0,1]=4 32 B10R0.4 C=C(C)COCCCCOC 34a_100000210245_100000755781 [0,0,0,0,0,0|3,0,1]=4 33 B10R0.4 C=C(C)COCCCCOC 34a_100000740925_100000748629 [0,0,0,0,0,0|3,0,1]=4 34 B10R0.4 C=C(C)COCCCCSC 34a_100011217163_100000748629 [0,0,0,0,0,0|3,0,1]=4 35 B10R0.4 C=C(C)COCCCCSC 7a_100011217163_100000748629 [0,0,0,0,0,0|3,0,1]=4 36 B10R0.4 C=C(C)COCCCOCC 34a_100000210245_100012232248 [0,0,0,0,0,0|3,0,1]=4 37 B10R0.4 C=C(C)COCCCOCC 34a_100000757476_100000748629 [0,0,0,0,0,0|3,0,1]=4 38 B10R0.4 C=C(C)COCCCOCC 7a_100000757476_100000748629 [0,0,0,0,0,0|3,0,1]=4 39 B10R0.4 C=C(C)COCCCSCC 34a_100011216438_100000748629 [0,0,0,0,0,0|3,0,1]=4 40 B10R0.4 C=C(C)COCCCSCC 7a_100011216438_100000748629 [0,0,0,0,0,0|3,0,1]=4 41 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [0,0,0,0,0,0|3,0,1]=4 42 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [0,0,0,0,0,0|3,0,1]=4 43 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [0,0,0,0,0,0|3,0,1]=4 44 B10R0.4 C=C(C)COCCSCCC 34a_200000230433_100000748629 [0,0,0,0,0,0|3,0,1]=4 45 B10R0.4 C=C(C)COCCSCCC 7a_200000230433_100000748629 [0,0,0,0,0,0|3,0,1]=4 46 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [0,0,0,0,0,0|3,0,1]=4 47 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [0,0,0,0,0,0|2,0,1]=3 48 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [0,0,0,0,0,0|2,0,1]=3 49 B10R0.4 C=C(C)CSCCCCCF 62a_100000729378_100000211660 [0,0,0,0,0,0|3,0,1]=4 50 B10R0.4 C=C(C)CSCCCCCF 62a_100000748629_100000729378 [0,0,0,0,0,0|3,0,1]=4 51 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [0,0,0,0,0,0|3,0,1]=4 52 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [0,0,0,0,0,0|3,0,1]=4 53 B10R0.4 C=C(C)CSCCCCOC 62a_100000730899_100000211660 [0,0,0,0,0,0|3,0,1]=4 54 B10R0.4 C=C(C)CSCCCCOC 62a_100000748629_100000730899 [0,0,0,0,0,0|3,0,1]=4 55 B10R0.4 C=C(C)CSCCCOCC 62a_100000748629_100012232248 [0,0,0,0,0,0|3,0,1]=4 56 B10R0.4 C=C(C)CSCCCOCC 62a_100012232248_100000211660 [0,0,0,0,0,0|3,0,1]=4 57 B10R0.4 C=C(C)CSCCOCCC 62a_100000748629_100011215938 [0,0,0,0,0,0|3,0,1]=4 58 B10R0.4 C=C(C)CSCCOCCC 62a_100011215938_100000211660 [0,0,0,0,0,0|3,0,1]=4 59 B10R0.4 C=C(C)CSCOCCCC 62a_100000748629_100011995733 [0,0,0,0,0,0|3,0,1]=4 60 B10R0.4 C=C(C)CSCOCCCC 62a_100011995733_100000211660 [0,0,0,0,0,0|3,0,1]=4 61 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [0,0,0,0,0,0|2,0,2]=4 62 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [0,0,0,0,0,0|2,0,2]=4 63 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [0,0,0,0,0,0|2,0,2]=4 64 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [0,0,0,0,0,0|2,0,2]=4 65 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [0,0,0,0,0,0|2,0,2]=4 66 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [0,0,0,0,0,0|2,0,2]=4 67 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,0,0,0,0,0|0,0,4]=4 68 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,0,0,0,0,0|0,0,4]=4 69 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,0,0,0,0,0|0,0,4]=4 70 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [0,0,0,0,0,0|1,0,3]=4 71 B10R0.4 CC(=CCCNCCCF)C 2230a_100015189416_100011217483 [0,0,0,0,0,0|3,0,1]=4 72 B10R0.4 CC(=CCCNCCCF)C 34a_100015189416_100011217483 [0,0,0,0,0,0|3,0,1]=4 73 B10R0.4 CC(=CCCOCCCBr)C 34a_100011217188_100011217483 [0,0,0,0,0,0|3,0,1]=4 74 B10R0.4 CC(=CCCOCCCCl)C 34a_100000230001_100011217483 [0,0,0,0,0,0|3,0,1]=4 75 B10R0.4 CC(=CCCOCCCF)C 34a_100000759539_100011217483 [0,0,0,0,0,0|3,0,1]=4 76 B10R0.4 CC(=CCCOCCCN)C 34a_100000182051_100011217483 [0,0,0,0,0,0|3,0,1]=4 77 B10R0.4 CC(=CCCSCCCF)C 62a_100011217483_100011934791 [0,0,0,0,0,0|3,0,1]=4 78 B10R0.4 CC(=CCCSCCCF)C 62a_100011934791_100011217483 [0,0,0,0,0,0|3,0,1]=4 79 B10R0.4 CC(=CCCSCCCO)C 62a_100011215043_100011217483 [0,0,0,0,0,0|3,0,1]=4 80 B10R0.4 CC(=CCCSCCCO)C 62a_100011217483_100011215043 [0,0,0,0,0,0|3,0,1]=4 81 B10R0.4 CC(=CCNCCCCF)C 34a_100000718196_100000729493 [0,0,0,0,0,0|3,0,1]=4 82 B10R0.4 CC(=CCNCCCCO)C 2230a_100000750430_100000761012 [0,0,0,0,0,0|3,0,1]=4 83 B10R0.4 CC(=CCNCCCCO)C 34a_100000718196_100011216708 [0,0,0,0,0,0|3,0,1]=4 84 B10R0.4 CC(=CCNCCCCO)C 34a_100000750430_100000761012 [0,0,0,0,0,0|3,0,1]=4 85 B10R0.4 CC(=CCOCCCCBr)C 34a_100011216708_100000761012 [0,0,0,0,0,0|3,0,1]=4 86 B10R0.4 CC(=CCOCCCCCl)C 34a_100000210776_100000761012 [0,0,0,0,0,0|3,0,1]=4 87 B10R0.4 CC(=CCOCCCCCl)C 7a_100000210776_100000761012 [0,0,0,0,0,0|3,0,1]=4 88 B10R0.4 CC(=CCOCCCCF)C 34a_100000753907_100000729493 [0,0,0,0,0,0|3,0,1]=4 89 B10R0.4 CC(=CCOCCCCF)C 34a_100011995726_100000761012 [0,0,0,0,0,0|3,0,1]=4 90 B10R0.4 CC(=CCOCCCCF)C 7a_100011995726_100000761012 [0,0,0,0,0,0|3,0,1]=4 91 B10R0.4 CC(=CCOCCCCI)C 34a_200012148704_100000761012 [0,0,0,0,0,0|3,0,1]=4 92 B10R0.4 CC(=CCOCCCCN)C 34a_100000750430_100000761012 [0,0,0,0,0,0|3,0,1]=4 93 B10R0.4 CC(=CCOCCCCO)C 34a_100000753907_100011216708 [0,0,0,0,0,0|3,0,1]=4 94 B10R0.4 CC(=CCSCCCCF)C 62a_100000729493_100000761012 [0,0,0,0,0,0|3,0,1]=4 95 B10R0.4 CC(=CCSCCCCF)C 62a_100000761012_100000729493 [0,0,0,0,0,0|3,0,1]=4 96 B10R0.4 CC(=CCSCCCCO)C 62a_100000210776_100000761012 [0,0,0,0,0,0|3,0,1]=4 97 B10R0.4 CC(=CCSCCCCO)C 62a_100000761012_100000210776 [0,0,0,0,0,0|3,0,1]=4 98 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,0,0,0,0,0|1,0,3]=4 99 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,0,0,0,0,0|1,0,2]=3 100 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,0,0,0,0,0|1,0,2]=3 101 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,0,0,0,0,0|2,0,2]=4 102 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,0,0,0,0,0|2,0,2]=4 103 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,0,0,0,0,0|2,0,2]=4 104 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,0,0,0,0,0|2,0,2]=4 105 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,0,0,0,0,0|2,0,2]=4 106 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,0,0,0,0,0|2,0,2]=4 107 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,0,0,0,0,0|2,0,2]=4 108 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,0,0,0,0,0|2,0,2]=4 109 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,0,0,0,0,0|2,0,2]=4 110 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,0,0,0,0,0|2,0,2]=4 111 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,0,0,0,0,0|2,0,2]=4 112 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,0,0,0,0,0|2,0,2]=4 113 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,0,0,0,0,0|2,0,2]=4 114 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,0,0,0,0,0|2,0,2]=4 115 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,0,0,0,0,0|2,0,2]=4 116 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,0,0,0,0,0|2,0,2]=4 117 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,0,0,0,0,0|2,0,2]=4 118 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,0,0,0,0,0|2,0,2]=4 119 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,0,0,0,0,0|2,0,2]=4 120 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,0,0,0,0,0|2,0,2]=4 121 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,0,0,0,0,0|2,0,2]=4 122 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,0,0,0,0,0|2,0,2]=4 123 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,0,0,0,0,0|2,0,2]=4 124 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,0,0,0,0,0|2,0,2]=4 125 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,0,0,0,0,0|2,0,2]=4 126 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,0,0,0,0,0|2,0,2]=4 127 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,0,0,0,0,0|2,0,2]=4 128 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,0,0,0,0,0|2,0,2]=4 129 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,0,0,0,0,0|2,0,2]=4 130 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,0,0,0,0,0|2,0,2]=4 131 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,0,0,0,0,0|2,0,2]=4 132 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,0,0,0,0,0|2,0,1]=3 133 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,0,0,0,0,0|2,0,1]=3 134 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [0,0,0,0,0,0|3,0,1]=4 135 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [0,0,0,0,0,0|3,0,1]=4 136 B10R0.4 CC(=O)NCCCCCC#N 11a_100000061152_100015343762 [0,0,0,0,0,0|2,0,2]=4 137 B10R0.4 CC(=O)NCCCCCC#N 1626a_100000061152_100015343762 [0,0,0,0,0,0|2,0,2]=4 138 B10R0.4 CC(=O)NCCCCCC#N 240690a_100000061152_100015343762 [0,0,0,0,0,0|2,0,2]=4 139 B10R0.4 CC(=O)NCCCCCC#N 527a_100000061152_100103153847 [0,0,0,0,0,0|2,0,2]=4 140 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,0,0,0,0,0|2,0,1]=3 141 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,0,0,0,0,0|2,0,1]=3 142 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,0,0,0,0,0|2,0,1]=3 143 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,0,0,0,0,0|2,0,1]=3 144 B10R0.4 CC(=O)NCCCCNCF 34a_200011368371_100015361967 [0,0,0,0,0,0|3,0,1]=4 145 B10R0.4 CC(=O)NCCCNCCF 34a_100000736810_100011217306 [0,0,0,0,0,0|3,0,1]=4 146 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [0,0,0,0,0,0|3,0,1]=4 147 B10R0.4 CC(=O)NCCCOCCF 34a_100000752032_100011217306 [0,0,0,0,0,0|3,0,1]=4 148 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [0,0,0,0,0,0|3,0,1]=4 149 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [0,0,0,0,0,0|3,0,1]=4 150 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [0,0,0,0,0,0|3,0,1]=4 151 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [0,0,0,0,0,0|3,0,1]=4 152 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [0,0,0,0,0,0|3,0,1]=4 153 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [0,0,0,0,0,0|3,0,1]=4 154 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [0,0,0,0,0,0|3,0,1]=4 155 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [0,0,0,0,0,0|3,0,1]=4 156 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [0,0,0,0,0,0|3,0,1]=4 157 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [0,0,0,0,0,0|3,0,1]=4 158 B10R0.4 CC(=O)NN=CCCCCO 4a_100000189765_100000031955 [0,0,0,0,0,0|3,0,1]=4 159 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,0,0,0,0,0|2,0,1]=3 160 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,0,0,0,0,0|2,0,1]=3 161 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [0,0,0,0,0,0|3,0,1]=4 162 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [0,0,0,0,0,0|3,0,1]=4 163 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [0,0,0,0,0,0|3,0,1]=4 164 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [0,0,0,0,0,0|3,0,1]=4 165 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [0,0,0,0,0,0|3,0,1]=4 166 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [0,0,0,0,0,0|3,0,1]=4 167 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [0,0,0,0,0,0|3,0,1]=4 168 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [0,0,0,0,0,0|3,0,1]=4 169 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [0,0,0,0,0,0|3,0,1]=4 170 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [0,0,0,0,0,0|3,0,1]=4 171 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [0,0,0,0,0,0|3,0,1]=4 172 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [0,0,0,0,0,0|3,0,1]=4 173 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [0,0,0,0,0,0|3,0,1]=4 174 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [0,0,0,0,0,0|3,0,1]=4 175 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [0,0,0,0,0,0|3,0,1]=4 176 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [0,0,0,0,0,0|3,0,1]=4 177 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [0,0,0,0,0,0|3,0,1]=4 178 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [0,0,0,0,0,0|3,0,1]=4 179 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [0,0,0,0,0,0|3,0,1]=4 180 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [0,0,0,0,0,0|3,0,1]=4 181 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [0,0,0,0,0,0|3,0,1]=4 182 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [0,0,0,0,0,0|3,0,1]=4 183 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [0,0,0,0,0,0|3,0,1]=4 184 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [0,0,0,0,0,0|3,0,1]=4 185 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [0,0,0,0,0,0|3,0,1]=4 186 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [0,0,0,0,0,0|3,0,1]=4 187 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [0,0,0,0,0,0|3,0,1]=4 188 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [0,0,0,0,0,0|3,0,1]=4 189 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [0,0,0,0,0,0|3,0,1]=4 190 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [0,0,0,0,0,0|3,0,1]=4 191 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [0,0,0,0,0,0|3,0,1]=4 192 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [0,0,0,0,0,0|3,0,1]=4 193 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [0,0,0,0,0,0|3,0,1]=4 194 B10R0.4 CC(=O)SCCCCSCF 62a_100015361967_200010402107 [0,0,0,0,0,0|3,0,1]=4 195 B10R0.4 CC(=O)SCCCCSCF 62a_200010402107_100015361967 [0,0,0,0,0,0|3,0,1]=4 196 B10R0.4 CC(=O)SCCCNCCF 34a_100000724931_100000038929 [0,0,0,0,0,0|3,0,1]=4 197 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [0,0,0,0,0,0|3,0,1]=4 198 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [0,0,0,0,0,0|3,0,1]=4 199 B10R0.4 CC(=O)SCCCOCCBr 34a_100000211926_100000038929 [0,0,0,0,0,0|3,0,1]=4 200 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [0,0,0,0,0,0|3,0,1]=4 201 B10R0.4 CC(=O)SCCCSCCF 62a_100000038929_100011217306 [0,0,0,0,0,0|3,0,1]=4 202 B10R0.4 CC(=O)SCCCSCCF 62a_100011217306_100000038929 [0,0,0,0,0,0|3,0,1]=4 203 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [0,0,0,0,0,0|3,0,1]=4 204 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [0,0,0,0,0,0|3,0,1]=4 205 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [0,0,0,0,0,0|1,0,3]=4 206 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,0,0,0,0,0|0,0,2]=2 207 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,0,0,0,0,0|0,0,2]=2 208 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [0,0,0,0,0,0|0,0,3]=3 209 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [0,0,0,0,0,0|2,0,1]=3 210 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,0,0,0,0,0|0,0,0]=0 211 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,0,0,0,0,0|0,0,0]=0 212 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,0,0,0,0,0|0,0,2]=2 213 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,0,0,0,0,0|0,0,2]=2 214 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,0,0,0,0,0|0,0,2]=2 215 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [0,0,0,0,0,0|2,0,2]=4 216 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [0,0,0,0,0,0|2,0,2]=4 217 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [0,0,0,0,0,0|2,0,2]=4 218 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [0,0,0,0,0,0|2,0,2]=4 219 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [0,0,0,0,0,0|2,0,2]=4 220 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [0,0,0,0,0,0|2,0,2]=4 221 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,0,0,0,0,0|1,0,1]=2 222 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,0,0,0,0,0|1,0,1]=2 223 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,0,0,0,0,0|1,0,1]=2 224 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,0,0,0,0,0|1,0,1]=2 225 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [0,0,0,0,0,0|2,0,2]=4 226 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [0,0,0,0,0,0|2,0,2]=4 227 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [0,0,0,0,0,0|2,0,2]=4 228 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [0,0,0,0,0,0|2,0,2]=4 229 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [0,0,0,0,0,0|2,0,2]=4 230 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [0,0,0,0,0,0|2,0,2]=4 231 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [0,0,0,0,0,0|2,0,2]=4 232 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [0,0,0,0,0,0|2,0,2]=4 233 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [0,0,0,0,0,0|2,0,1]=3 234 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [0,0,0,0,0,0|2,0,1]=3 235 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,0,0,0,0,0|2,0,1]=3 236 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [0,0,0,0,0,0|2,0,2]=4 237 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [0,0,0,0,0,0|2,0,2]=4 238 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [0,0,0,0,0,0|2,0,2]=4 239 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [0,0,0,0,0,0|2,0,2]=4 240 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [0,0,0,0,0,0|1,0,3]=4 241 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [0,0,0,0,0,0|1,0,3]=4 242 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [0,0,0,0,0,0|1,0,3]=4 243 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [0,0,0,0,0,0|1,0,3]=4 244 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,0,0,0,0,0|1,0,1]=2 245 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,0,0,0,0,0|2,0,1]=3 246 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,0,0,0,0,0|2,0,1]=3 247 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,0,0,0,0,0|2,0,1]=3 248 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [0,0,0,0,0,0|2,0,2]=4 249 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [0,0,0,0,0,0|2,0,2]=4 250 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [0,0,0,0,0,0|2,0,2]=4 251 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [0,0,0,0,0,0|2,0,2]=4 252 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [0,0,0,0,0,0|2,0,2]=4 253 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [0,0,0,0,0,0|1,0,3]=4 254 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [0,0,0,0,0,0|1,0,3]=4 255 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [0,0,0,0,0,0|2,0,2]=4 256 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [0,0,0,0,0,0|2,0,2]=4 257 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [0,0,0,0,0,0|1,0,3]=4 258 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [0,0,0,0,0,0|1,0,3]=4 259 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [0,0,0,0,0,0|3,0,1]=4 260 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [0,0,0,0,0,0|2,0,1]=3 261 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [0,0,0,0,0,0|2,0,1]=3 262 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [0,0,0,0,0,0|2,0,1]=3 263 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [0,0,0,0,0,0|2,0,1]=3 264 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [0,0,0,0,0,0|2,0,2]=4 265 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [0,0,0,0,0,0|2,0,2]=4 266 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [0,0,0,0,0,0|1,0,3]=4 267 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [0,0,0,0,0,0|1,0,3]=4 268 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [0,0,0,0,0,0|1,0,3]=4 269 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [0,0,0,0,0,0|1,0,3]=4 270 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [0,0,0,0,0,0|3,0,1]=4 271 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [0,0,0,0,0,0|2,0,1]=3 272 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [0,0,0,0,0,0|2,0,1]=3 273 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [0,0,0,0,0,0|2,0,2]=4 274 B10R0.4 CCCCCNN=CC(C)C 4a_100000694160_100000210432 [0,0,0,0,0,0|3,0,1]=4 275 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,0,0,0,0,0|3,0,1]=4 276 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [0,0,0,0,0,0|2,0,1]=3 277 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [0,0,0,0,0,0|2,0,1]=3 278 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [0,0,0,0,0,0|2,0,1]=3 279 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,0,0,0,0,0|1,0,2]=3 280 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,0,0,0,0,0|1,0,2]=3 281 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,0,0,0,0,0|1,0,2]=3 282 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,0,0,0,0,0|2,0,2]=4 283 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,0,0,0,0,0|2,0,2]=4 284 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,0,0,0,0,0|2,0,2]=4 285 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,0,0,0,0,0|2,0,2]=4 286 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,0,0,0,0,0|2,0,1]=3 287 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [0,0,0,0,0,0|2,0,1]=3 288 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [0,0,0,0,0,0|2,0,1]=3 289 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,0,0,0,0,0|1,0,2]=3 290 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,0,0,0,0,0|1,0,2]=3 291 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [0,0,0,0,0,0|2,0,2]=4 292 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [0,0,0,0,0,0|2,0,2]=4 293 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,0,0,0,0,0|2,0,1]=3 294 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,0,0,0,0,0|2,0,1]=3 295 B10R0.4 CCCCNC/C=C/B(O)O 2230a_100000102301_100016262062 [0,0,0,0,0,0|3,0,1]=4 296 B10R0.4 CCCCNC/C=C/B(O)O 7a_106832991798_100016262062 [0,0,0,0,0,0|3,0,1]=4 297 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [0,0,0,0,0,0|2,0,1]=3 298 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [0,0,0,0,0,0|2,0,1]=3 299 B10R0.4 CCCCNCCC=C(F)F 2230a_100000102301_200009816681 [0,0,0,0,0,0|3,0,1]=4 300 B10R0.4 CCCCNCCC=C(F)F 7a_106832991798_200009816681 [0,0,0,0,0,0|3,0,1]=4 301 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,0,0,0,0,0|1,0,2]=3 302 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [0,0,0,0,0,0|2,0,2]=4 303 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [0,0,0,0,0,0|2,0,2]=4 304 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [0,0,0,0,0,0|2,0,2]=4 305 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,0,0,0,0,0|2,0,1]=3 306 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,0,0,0,0,0|2,0,1]=3 307 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,0,0,0,0,0|2,0,1]=3 308 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [0,0,0,0,0,0|3,0,1]=4 309 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [0,0,0,0,0,0|3,0,1]=4 310 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [0,0,0,0,0,0|3,0,1]=4 311 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,0,0,0,0,0|2,0,1]=3 312 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [0,0,0,0,0,0|3,0,1]=4 313 B10R0.4 CCCCNN=CC=C(C)C 4a_100025702795_100011215525 [0,0,0,0,0,0|3,0,0]=3 314 B10R0.4 CCCCOC/C=C/B(O)O 34a_100000210227_100016262062 [0,0,0,0,0,0|3,0,1]=4 315 B10R0.4 CCCCOC/C=C/B(O)O 7a_100000210227_100016262062 [0,0,0,0,0,0|3,0,1]=4 316 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [0,0,0,0,0,0|2,0,1]=3 317 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [0,0,0,0,0,0|2,0,1]=3 318 B10R0.4 CCCCOCCC=C(F)F 34a_100000210227_200009816681 [0,0,0,0,0,0|3,0,1]=4 319 B10R0.4 CCCCOCCC=C(F)F 7a_100000210227_200009816681 [0,0,0,0,0,0|3,0,1]=4 320 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,0,0,0,0,0|1,0,2]=3 321 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,0,0,0,0,0|1,0,2]=3 322 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,0,0,0,0,0|1,0,2]=3 323 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,0,0,0,0,0|1,0,2]=3 324 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,0,0,0,0,0|2,0,2]=4 325 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,0,0,0,0,0|2,0,2]=4 326 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,0,0,0,0,0|2,0,1]=3 327 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,0,0,0,0,0|2,0,1]=3 328 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [0,0,0,0,0,0|3,0,1]=4 329 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [0,0,0,0,0,0|3,0,1]=4 330 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,0,0,0,0,0|2,0,1]=3 331 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,0,0,0,0,0|2,0,1]=3 332 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [0,0,0,0,0,0|3,0,1]=4 333 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [0,0,0,0,0,0|3,0,1]=4 334 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [0,0,0,0,0,0|3,0,1]=4 335 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [0,0,0,0,0,0|3,0,1]=4 336 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [0,0,0,0,0,0|3,0,1]=4 337 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,0,0,0,0,0|2,0,1]=3 338 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [0,0,0,0,0,0|3,0,1]=4 339 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [0,0,0,0,0,0|3,0,1]=4 340 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [0,0,0,0,0,0|3,0,1]=4 341 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [0,0,0,0,0,0|3,0,1]=4 342 B10R0.4 CCCCSC/C=C/B(O)O 62a_100000210211_100016262062 [0,0,0,0,0,0|3,0,1]=4 343 B10R0.4 CCCCSC/C=C/B(O)O 62a_100016262062_100000210210 [0,0,0,0,0,0|3,0,1]=4 344 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [0,0,0,0,0,0|2,0,1]=3 345 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [0,0,0,0,0,0|2,0,1]=3 346 B10R0.4 CCCCSCCC=C(F)F 62a_100000210211_200009816681 [0,0,0,0,0,0|3,0,1]=4 347 B10R0.4 CCCCSCCC=C(F)F 62a_200009816681_100000210210 [0,0,0,0,0,0|3,0,1]=4 348 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,0,0,0,0,0|1,0,2]=3 349 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,0,0,0,0,0|1,0,2]=3 350 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [0,0,0,0,0,0|2,0,2]=4 351 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [0,0,0,0,0,0|2,0,2]=4 352 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,0,0,0,0,0|2,0,1]=3 353 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,0,0,0,0,0|2,0,1]=3 354 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,0,0,0,0,0|2,0,1]=3 355 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,0,0,0,0,0|2,0,1]=3 356 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,0,0,0,0,0|2,0,1]=3 357 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,0,0,0,0,0|2,0,1]=3 358 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [0,0,0,0,0,0|3,0,1]=4 359 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [0,0,0,0,0,0|3,0,1]=4 360 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,0,0,0,0,0|2,0,1]=3 361 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,0,0,0,0,0|2,0,1]=3 362 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [0,0,0,0,0,0|3,0,1]=4 363 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [0,0,0,0,0,0|3,0,1]=4 364 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [0,0,0,0,0,0|2,0,2]=4 365 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,0,0,0,0,0|2,0,1]=3 366 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,0,0,0,0,0|3,0,1]=4 367 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,0,0,0,0,0|1,0,2]=3 368 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [0,0,0,0,0,0|2,0,2]=4 369 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [0,0,0,0,0,0|2,0,2]=4 370 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,0,0,0,0,0|2,0,1]=3 371 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,0,0,0,0,0|2,0,1]=3 372 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,0,0,0,0,0|2,0,1]=3 373 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,0,0,0,0,0|2,0,1]=3 374 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,0,0,0,0,0|2,0,1]=3 375 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [0,0,0,0,0,0|2,1,1]=4 376 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,0,0,0,0,0|2,0,1]=3 377 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [0,0,0,0,0,0|3,0,1]=4 378 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [0,0,0,0,0,0|3,0,1]=4 379 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [0,0,0,0,0,0|3,0,1]=4 380 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [0,0,0,0,0,0|3,0,1]=4 381 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [0,0,0,0,0,0|3,0,1]=4 382 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,0,0,0,0,0|2,0,1]=3 383 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [0,0,0,0,0,0|3,0,1]=4 384 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [0,0,0,0,0,0|3,0,1]=4 385 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [0,0,0,0,0,0|3,0,1]=4 386 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [0,0,0,0,0,0|3,0,1]=4 387 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [0,0,0,0,0,0|3,0,1]=4 388 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [0,0,0,0,0,0|3,0,1]=4 389 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [0,0,0,0,0,0|3,0,1]=4 390 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [0,0,0,0,0,0|3,0,1]=4 391 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,0,0,0,0,0|1,0,2]=3 392 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,0,0,0,0,0|1,0,2]=3 393 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,0,0,0,0,0|2,0,1]=3 394 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,0,0,0,0,0|2,0,1]=3 395 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [0,0,0,0,0,0|2,1,1]=4 396 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [0,0,0,0,0,0|2,1,1]=4 397 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,0,0,0,0,0|2,0,1]=3 398 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,0,0,0,0,0|2,0,1]=3 399 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [0,0,0,0,0,0|3,0,1]=4 400 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [0,0,0,0,0,0|3,0,1]=4 401 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [0,0,0,0,0,0|3,0,1]=4 402 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [0,0,0,0,0,0|3,0,1]=4 403 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [0,0,0,0,0,0|3,0,1]=4 404 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [0,0,0,0,0,0|3,0,1]=4 405 B10R0.4 CCNCCC/C=C/B(O)O 2230a_100015525214_200016261450 [0,0,0,0,0,0|3,0,1]=4 406 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [0,0,0,0,0,0|2,0,2]=4 407 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,0,0,0,0,0|2,0,1]=3 408 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,0,0,0,0,0|2,0,1]=3 409 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,0,0,0,0,0|2,0,1]=3 410 B10R0.4 CCOCCC/C=C/B(O)O 34a_100121572206_200016261450 [0,0,0,0,0,0|3,0,1]=4 411 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [0,0,0,0,0,0|2,0,2]=4 412 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [0,0,0,0,0,0|2,0,2]=4 413 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [0,0,0,0,0,0|2,0,2]=4 414 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [0,0,0,0,0,0|2,0,2]=4 415 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,0,0,0,0,0|2,0,1]=3 416 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,0,0,0,0,0|2,0,1]=3 417 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,0,0,0,0,0|2,0,1]=3 418 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,0,0,0,0,0|2,0,1]=3 419 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [0,0,0,0,0,0|3,0,1]=4 420 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [0,0,0,0,0,0|3,0,1]=4 421 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [0,0,0,0,0,0|3,0,1]=4 422 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [0,0,0,0,0,0|3,0,1]=4 423 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [0,0,0,0,0,0|3,0,1]=4 424 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,0,0,0,0,0|2,0,1]=3 425 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [0,0,0,0,0,0|3,0,1]=4 426 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [0,0,0,0,0,0|3,0,1]=4 427 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [0,0,0,0,0,0|3,0,1]=4 428 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [0,0,0,0,0,0|3,0,1]=4 429 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [0,0,0,0,0,0|3,0,1]=4 430 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [0,0,0,0,0,0|3,0,1]=4 431 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [0,0,0,0,0,0|3,0,1]=4 432 B10R0.4 CCOCCNCC=C(C)C 2230a_102516460346_100000761012 [0,0,0,0,0,0|3,0,1]=4 433 B10R0.4 CCOCCNCC=C(C)C 34a_100000718196_100000210147 [0,0,0,0,0,0|3,0,1]=4 434 B10R0.4 CCOCCNCC=C(C)C 34a_102516460346_100000761012 [0,0,0,0,0,0|3,0,1]=4 435 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [0,0,0,0,0,0|3,0,1]=4 436 B10R0.4 CCOCCOCC=C(C)C 34a_100000210136_100000761012 [0,0,0,0,0,0|3,0,1]=4 437 B10R0.4 CCOCCOCC=C(C)C 34a_100000753907_100000210147 [0,0,0,0,0,0|3,0,1]=4 438 B10R0.4 CCOCCOCC=C(C)C 7a_100000210136_100000761012 [0,0,0,0,0,0|3,0,1]=4 439 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,0,0,0,0,0|2,0,2]=4 440 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,0,0,0,0,0|2,0,2]=4 441 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,0,0,0,0,0|2,0,2]=4 442 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,0,0,0,0,0|2,0,2]=4 443 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [0,0,0,0,0,0|3,0,1]=4 444 B10R0.4 CCOCCSCC=C(C)C 62a_100000210147_100000761012 [0,0,0,0,0,0|3,0,1]=4 445 B10R0.4 CCOCCSCC=C(C)C 62a_100000761012_100011215890 [0,0,0,0,0,0|3,0,1]=4 446 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,0,0,0,0,0|2,0,2]=4 447 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,0,0,0,0,0|2,0,2]=4 448 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [0,0,0,0,0,0|3,0,1]=4 449 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [0,0,0,0,0,0|3,0,1]=4 450 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [0,0,0,0,0,0|3,0,1]=4 451 B10R0.4 CCOCSCCC=C(C)C 62a_100000739092_100011217483 [0,0,0,0,0,0|3,0,1]=4 452 B10R0.4 CCOCSCCC=C(C)C 62a_100011217483_100000739092 [0,0,0,0,0,0|3,0,1]=4 453 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,0,0,0,0,0|2,0,2]=4 454 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,0,0,0,0,0|2,0,2]=4 455 B10R0.4 CCOCSCCNC(=O)C 62a_100000189650_100000739092 [0,0,0,0,0,0|3,0,1]=4 456 B10R0.4 CCOCSCCNC(=O)C 62a_100000739092_100000189650 [0,0,0,0,0,0|3,0,1]=4 457 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [0,0,0,0,0,0|3,0,1]=4 458 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [0,0,0,0,0,0|3,0,1]=4 459 B10R0.4 CCSCCC/C=C/B(O)O 62a_100000210202_200016261450 [0,0,0,0,0,0|3,0,1]=4 460 B10R0.4 CCSCCC/C=C/B(O)O 62a_200016261450_100000210202 [0,0,0,0,0,0|3,0,1]=4 461 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [0,0,0,0,0,0|2,0,2]=4 462 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [0,0,0,0,0,0|2,0,2]=4 463 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,0,0,0,0,0|2,0,1]=3 464 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,0,0,0,0,0|2,0,1]=3 465 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,0,0,0,0,0|2,0,1]=3 466 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,0,0,0,0,0|2,0,1]=3 467 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [0,0,0,0,0,0|3,0,1]=4 468 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [0,0,0,0,0,0|3,0,1]=4 469 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [0,0,0,0,0,0|3,0,1]=4 470 B10R0.4 CCSCCNCC=C(C)C 2230a_100000106463_100000761012 [0,0,0,0,0,0|3,0,1]=4 471 B10R0.4 CCSCCNCC=C(C)C 34a_100000718196_100000757381 [0,0,0,0,0,0|3,0,1]=4 472 B10R0.4 CCSCCOCC=C(C)C 34a_100000212035_100000761012 [0,0,0,0,0,0|3,0,1]=4 473 B10R0.4 CCSCCOCC=C(C)C 34a_100000753907_100000757381 [0,0,0,0,0,0|3,0,1]=4 474 B10R0.4 CCSCCOCC=C(C)C 7a_100000212035_100000761012 [0,0,0,0,0,0|3,0,1]=4 475 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,0,0,0,0,0|2,0,2]=4 476 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,0,0,0,0,0|2,0,2]=4 477 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,0,0,0,0,0|2,0,2]=4 478 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [0,0,0,0,0,0|3,0,1]=4 479 B10R0.4 CCSCCSCC=C(C)C 62a_100000757381_100000761012 [0,0,0,0,0,0|3,0,1]=4 480 B10R0.4 CCSCCSCC=C(C)C 62a_100000761012_100000757381 [0,0,0,0,0,0|3,0,1]=4 481 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,0,0,0,0,0|2,0,2]=4 482 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,0,0,0,0,0|2,0,2]=4 483 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [0,0,0,0,0,0|3,0,1]=4 484 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [0,0,0,0,0,0|3,0,1]=4 485 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [0,0,0,0,0,0|3,0,1]=4 486 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [0,0,0,0,0,0|3,0,1]=4 487 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,0,0,0,0,0|2,0,1]=3 488 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,0,0,0,0,0|2,0,1]=3 489 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,0,0,0,0,0|2,0,1]=3 490 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,0,0,0,0,0|2,0,1]=3 491 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,0,0,0,0,0|2,0,1]=3 492 B10R0.4 CNCCCOCC=C(C)C 34a_100000213112_100000761012 [0,0,0,0,0,0|3,0,1]=4 493 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [0,0,0,0,0,0|3,0,1]=4 494 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [0,0,0,0,0,0|3,0,1]=4 495 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [0,0,0,0,0,0|3,0,1]=4 496 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [0,0,0,0,0,0|3,0,1]=4 497 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,0,0,0,0,0|1,0,2]=3 498 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,0,0,0,0,0|2,0,1]=3 499 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,0,0,0,0,0|2,0,1]=3 500 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,0,0,0,0,0|2,0,1]=3 501 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,0,0,0,0,0|2,0,1]=3 502 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,0,0,0,0,0|2,0,1]=3 503 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [0,0,0,0,0,0|3,0,1]=4 504 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [0,0,0,0,0,0|3,0,1]=4 505 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,0,0,0,0,0|2,0,1]=3 506 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [0,0,0,0,0,0|3,0,1]=4 507 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [0,0,0,0,0,0|3,0,1]=4 508 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [0,0,0,0,0,0|3,0,1]=4 509 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [0,0,0,0,0,0|3,0,1]=4 510 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [0,0,0,0,0,0|3,0,1]=4 511 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [0,0,0,0,0,0|3,0,1]=4 512 B10R0.4 COCCCNCC=C(C)C 34a_100000718196_100000740836 [0,0,0,0,0,0|3,0,1]=4 513 B10R0.4 COCCCNCC=C(C)C 34a_100150723488_100000761012 [0,0,0,0,0,0|3,0,1]=4 514 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [0,0,0,0,0,0|3,0,1]=4 515 B10R0.4 COCCCOCC=C(C)C 34a_100000740835_100000761012 [0,0,0,0,0,0|3,0,1]=4 516 B10R0.4 COCCCOCC=C(C)C 34a_100000753907_100000740836 [0,0,0,0,0,0|3,0,1]=4 517 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,0,0,0,0,0|2,0,2]=4 518 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,0,0,0,0,0|2,0,2]=4 519 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [0,0,0,0,0,0|3,0,1]=4 520 B10R0.4 COCCCSCC=C(C)C 62a_100000709357_100000761012 [0,0,0,0,0,0|3,0,1]=4 521 B10R0.4 COCCCSCC=C(C)C 62a_100000761012_100000709357 [0,0,0,0,0,0|3,0,1]=4 522 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,0,0,0,0,0|2,0,2]=4 523 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,0,0,0,0,0|2,0,2]=4 524 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [0,0,0,0,0,0|3,0,1]=4 525 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [0,0,0,0,0,0|3,0,1]=4 526 B10R0.4 COCCNCCC=C(C)C 2230a_100000209980_100011217483 [0,0,0,0,0,0|3,0,1]=4 527 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [0,0,0,0,0,0|3,0,1]=4 528 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [0,0,0,0,0,0|3,0,1]=4 529 B10R0.4 COCCOCCC=C(C)C 34a_100000210237_100011217483 [0,0,0,0,0,0|3,0,1]=4 530 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,0,0,0,0,0|2,0,2]=4 531 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,0,0,0,0,0|2,0,2]=4 532 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,0,0,0,0,0|2,0,2]=4 533 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,0,0,0,0,0|2,0,2]=4 534 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [0,0,0,0,0,0|3,0,1]=4 535 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [0,0,0,0,0,0|3,0,1]=4 536 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [0,0,0,0,0,0|3,0,1]=4 537 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [0,0,0,0,0,0|3,0,1]=4 538 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [0,0,0,0,0,0|3,0,1]=4 539 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [0,0,0,0,0,0|3,0,1]=4 540 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [0,0,0,0,0,0|3,0,1]=4 541 B10R0.4 COCCSCCC=C(C)C 62a_100000233755_100011217483 [0,0,0,0,0,0|3,0,1]=4 542 B10R0.4 COCCSCCC=C(C)C 62a_100011217483_100000233755 [0,0,0,0,0,0|3,0,1]=4 543 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,0,0,0,0,0|2,0,2]=4 544 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,0,0,0,0,0|2,0,2]=4 545 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [0,0,0,0,0,0|3,0,1]=4 546 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [0,0,0,0,0,0|3,0,1]=4 547 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [0,0,0,0,0,0|3,0,1]=4 548 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [0,0,0,0,0,0|3,0,1]=4 549 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,0,0,0,0,0|2,0,2]=4 550 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,0,0,0,0,0|2,0,2]=4 551 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [0,0,0,0,0,0|3,0,1]=4 552 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [0,0,0,0,0,0|3,0,1]=4 553 B10R0.4 COCSCCCSC(=O)C 62a_100000038929_100000766300 [0,0,0,0,0,0|3,0,1]=4 554 B10R0.4 COCSCCCSC(=O)C 62a_100000766300_100000038929 [0,0,0,0,0,0|3,0,1]=4 555 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,0,0,0,0,0|2,0,1]=3 556 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,0,0,0,0,0|2,0,1]=3 557 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [0,0,0,0,0,0|3,0,1]=4 558 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [0,0,0,0,0,0|3,0,1]=4 559 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [0,0,0,0,0,0|3,0,1]=4 560 B10R0.4 CSCCCNCC=C(C)C 2230a_100000749238_100000761012 [0,0,0,0,0,0|3,0,1]=4 561 B10R0.4 CSCCCOCC=C(C)C 34a_100000690336_100000761012 [0,0,0,0,0,0|3,0,1]=4 562 B10R0.4 CSCCCOCC=C(C)C 7a_100000690336_100000761012 [0,0,0,0,0,0|3,0,1]=4 563 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,0,0,0,0,0|2,0,2]=4 564 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [0,0,0,0,0,0|3,0,1]=4 565 B10R0.4 CSCCNCCC=C(C)C 2230a_100020590264_100011217483 [0,0,0,0,0,0|3,0,1]=4 566 B10R0.4 CSCCNCCNC(=O)C 2230a_100000209853_100000751147 [0,0,0,0,0,0|3,0,1]=4 567 B10R0.4 CSCCNCCNC(=O)C 2230a_100020590264_100000189650 [0,0,0,0,0,0|3,0,1]=4 568 B10R0.4 CSCCOCCC=C(C)C 34a_100000230434_100011217483 [0,0,0,0,0,0|3,0,1]=4 569 B10R0.4 CSCCOCCC=C(C)C 7a_100000230434_100011217483 [0,0,0,0,0,0|3,0,1]=4 570 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,0,0,0,0,0|2,0,2]=4 571 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,0,0,0,0,0|2,0,2]=4 572 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,0,0,0,0,0|2,0,2]=4 573 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,0,0,0,0,0|2,0,2]=4 574 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [0,0,0,0,0,0|3,0,1]=4 575 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [0,0,0,0,0,0|3,0,1]=4 576 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [0,0,0,0,0,0|3,0,1]=4 577 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [0,0,0,0,0,0|3,0,1]=4 578 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [0,0,0,0,0,0|3,0,1]=4 579 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [0,0,0,0,0,0|3,0,1]=4 580 B10R0.4 CSCCSCCC=C(C)C 62a_100000212216_100011217483 [0,0,0,0,0,0|3,0,1]=4 581 B10R0.4 CSCCSCCC=C(C)C 62a_100011217483_100000751147 [0,0,0,0,0,0|3,0,1]=4 582 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,0,0,0,0,0|2,0,2]=4 583 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,0,0,0,0,0|2,0,2]=4 584 B10R0.4 CSCCSCCNC(=O)C 62a_100000189650_100000751147 [0,0,0,0,0,0|3,0,1]=4 585 B10R0.4 CSCCSCCNC(=O)C 62a_100000212216_100000189650 [0,0,0,0,0,0|3,0,1]=4 586 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [0,0,0,0,0,0|3,0,1]=4 587 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [0,0,0,0,0,0|3,0,1]=4 588 B10R0.4 CSCNCCCNC(=O)C 34a_100000736810_100011218213 [0,0,0,0,0,0|3,0,1]=4 589 B10R0.4 CSCOCCCNC(=O)C 34a_100000752032_100011218213 [0,0,0,0,0,0|3,0,1]=4 590 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [0,0,0,0,0,0|2,0,2]=4 591 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [0,0,0,0,0,0|2,0,2]=4 592 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [0,0,0,0,0,0|3,0,1]=4 593 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [0,0,0,0,0,0|3,0,1]=4 594 B10R0.4 CSCSCCCSC(=O)C 62a_100000038929_100011218213 [0,0,0,0,0,0|3,0,1]=4 595 B10R0.4 CSCSCCCSC(=O)C 62a_100011218213_100000038929 [0,0,0,0,0,0|3,0,1]=4 596 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [0,0,0,0,0,0|3,0,1]=4 597 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [0,0,0,0,0,0|3,0,1]=4 598 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [0,0,0,0,0,0|3,0,1]=4 599 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [0,0,0,0,0,0|3,0,1]=4 600 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [0,0,0,0,0,0|3,0,1]=4 601 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [0,0,0,0,0,0|3,0,1]=4 602 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [0,0,0,0,0,0|3,0,1]=4 603 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [0,0,0,0,0,0|3,0,1]=4 604 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [0,0,0,0,0,0|3,0,1]=4 605 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [0,0,0,0,0,0|3,0,1]=4 606 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [0,0,0,0,0,0|3,0,1]=4 607 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [0,0,0,0,0,0|3,0,1]=4 608 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [0,0,0,0,0,0|3,0,1]=4 609 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [0,0,0,0,0,0|3,0,1]=4 610 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [0,0,0,0,0,0|3,0,1]=4 611 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [0,0,0,0,0,0|3,0,1]=4 612 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [0,0,0,0,0,0|3,0,1]=4 613 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [0,0,0,0,0,0|3,0,1]=4 614 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [0,0,0,0,0,0|3,0,1]=4 615 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [0,0,0,0,0,0|3,0,1]=4 616 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [0,0,0,0,0,0|3,0,1]=4 617 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [0,0,0,0,0,0|3,0,1]=4 618 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [0,0,0,0,0,0|3,0,1]=4 619 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [0,0,0,0,0,0|3,0,1]=4 620 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [0,0,0,0,0,0|3,0,1]=4 621 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [0,0,0,0,0,0|3,0,1]=4 622 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,0,0,0,0,0|1,0,2]=3 623 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [0,0,0,0,0,0|3,0,1]=4 624 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [1,0,0,0,0,0|0,0,3]=4 625 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [1,0,0,0,0,0|0,0,3]=4 626 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [1,0,0,0,0,0|0,0,3]=4 627 B9R0.2 C#CCCCCNC(=O)C 11a_100000706060_100015343762 [1,0,0,0,0,0|1,0,2]=4 628 B9R0.2 C#CCCCCNC(=O)C 1626a_100000706060_100015343762 [1,0,0,0,0,0|1,0,2]=4 629 B9R0.2 C#CCCCCNC(=O)C 240690a_100000706060_100015343762 [1,0,0,0,0,0|1,0,2]=4 630 B9R0.2 C#CCCCCNC(=O)C 527a_100000706060_100103153847 [1,0,0,0,0,0|1,0,2]=4 631 B9R0.2 C=C(C)C=NNCCCC 4a_100025702795_100000210575 [1,0,0,0,0,0|3,0,0]=4 632 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [1,0,0,0,0,0|2,0,1]=4 633 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [1,0,0,0,0,0|2,0,1]=4 634 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [1,0,0,0,0,0|2,0,1]=4 635 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [1,0,0,0,0,0|2,0,1]=4 636 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [1,0,0,0,0,0|2,0,1]=4 637 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [1,0,0,0,0,0|2,0,1]=4 638 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [1,0,0,0,0,0|2,0,1]=4 639 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [1,0,0,0,0,0|2,0,1]=4 640 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [1,0,0,0,0,0|2,0,1]=4 641 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [1,0,0,0,0,0|2,0,1]=4 642 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [1,0,0,0,0,0|2,0,1]=4 643 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [1,0,0,0,0,0|2,0,1]=4 644 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [1,0,0,0,0,0|2,0,1]=4 645 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [1,0,0,0,0,0|0,0,3]=4 646 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [1,0,0,0,0,0|0,0,3]=4 647 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [1,0,0,0,0,0|0,0,3]=4 648 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [1,0,0,0,0,0|1,0,2]=4 649 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [1,0,0,0,0,0|1,0,2]=4 650 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [1,0,0,0,0,0|1,0,2]=4 651 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [1,0,0,0,0,0|1,0,2]=4 652 B9R0.2 CC(=CCCNCCF)C 34a_100000724931_100011217483 [1,0,0,0,0,0|3,0,0]=4 653 B9R0.2 CC(=CCCNCCO)C 2230a_100016997473_100011217483 [1,0,0,0,0,0|3,0,0]=4 654 B9R0.2 CC(=CCCNCCO)C 34a_100016990907_100011217483 [1,0,0,0,0,0|3,0,0]=4 655 B9R0.2 CC(=CCCOCCBr)C 34a_100000211926_100011217483 [1,0,0,0,0,0|3,0,0]=4 656 B9R0.2 CC(=CCCOCCN)C 34a_100000210304_100011217483 [1,0,0,0,0,0|3,0,0]=4 657 B9R0.2 CC(=CCCSCCF)C 62a_100011217306_100011217483 [1,0,0,0,0,0|3,0,0]=4 658 B9R0.2 CC(=CCCSCCF)C 62a_100011217483_100011217306 [1,0,0,0,0,0|3,0,0]=4 659 B9R0.2 CC(=CCCSCCO)C 62a_100000211926_100011217483 [1,0,0,0,0,0|3,0,0]=4 660 B9R0.2 CC(=CCCSCCO)C 62a_100011217483_100000211926 [1,0,0,0,0,0|3,0,0]=4 661 B9R0.2 CC(=CCNCCCF)C 2230a_100015189416_100000761012 [1,0,0,0,0,0|3,0,0]=4 662 B9R0.2 CC(=CCNCCCF)C 34a_100000718196_100011934791 [1,0,0,0,0,0|3,0,0]=4 663 B9R0.2 CC(=CCNCCCF)C 34a_100015189416_100000761012 [1,0,0,0,0,0|3,0,0]=4 664 B9R0.2 CC(=CCNCCCO)C 34a_100000718196_100000230001 [1,0,0,0,0,0|3,0,0]=4 665 B9R0.2 CC(=CCOCCCBr)C 34a_100011217188_100000761012 [1,0,0,0,0,0|3,0,0]=4 666 B9R0.2 CC(=CCOCCCCl)C 34a_100000230001_100000761012 [1,0,0,0,0,0|3,0,0]=4 667 B9R0.2 CC(=CCOCCCF)C 34a_100000753907_100011934791 [1,0,0,0,0,0|3,0,0]=4 668 B9R0.2 CC(=CCOCCCF)C 34a_100000759539_100000761012 [1,0,0,0,0,0|3,0,0]=4 669 B9R0.2 CC(=CCOCCCN)C 34a_100000182051_100000761012 [1,0,0,0,0,0|3,0,0]=4 670 B9R0.2 CC(=CCOCCCO)C 34a_100000753907_100000230001 [1,0,0,0,0,0|3,0,0]=4 671 B9R0.2 CC(=CCSCCCF)C 62a_100000761012_100011934791 [1,0,0,0,0,0|3,0,0]=4 672 B9R0.2 CC(=CCSCCCF)C 62a_100011934791_100000761012 [1,0,0,0,0,0|3,0,0]=4 673 B9R0.2 CC(=CCSCCCO)C 62a_100000761012_100011215043 [1,0,0,0,0,0|3,0,0]=4 674 B9R0.2 CC(=CCSCCCO)C 62a_100011215043_100000761012 [1,0,0,0,0,0|3,0,0]=4 675 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [1,0,0,0,0,0|1,0,2]=4 676 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,0,0,0,0,0|1,0,1]=3 677 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,0,0,0,0,0|1,0,1]=3 678 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,0,0,0,0,0|1,0,1]=3 679 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [1,0,0,0,0,0|2,0,1]=4 680 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [1,0,0,0,0,0|2,0,1]=4 681 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [1,0,0,0,0,0|2,0,1]=4 682 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,0,0,0,0,0|2,0,1]=4 683 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [1,0,0,0,0,0|2,0,1]=4 684 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [1,0,0,0,0,0|2,0,1]=4 685 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [1,0,0,0,0,0|2,0,1]=4 686 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [1,0,0,0,0,0|2,0,1]=4 687 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,0,0,0,0,0|2,0,1]=4 688 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,0,0,0,0,0|2,0,1]=4 689 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [1,0,0,0,0,0|2,0,1]=4 690 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [1,0,0,0,0,0|2,0,1]=4 691 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,0,0,0,0,0|2,0,1]=4 692 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,0,0,0,0,0|2,0,1]=4 693 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [1,0,0,0,0,0|2,0,1]=4 694 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [1,0,0,0,0,0|2,0,1]=4 695 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,0,0,0,0,0|2,0,1]=4 696 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,0,0,0,0,0|2,0,1]=4 697 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [1,0,0,0,0,0|2,0,1]=4 698 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [1,0,0,0,0,0|2,0,1]=4 699 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,0,0,0,0,0|2,0,1]=4 700 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,0,0,0,0,0|2,0,1]=4 701 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [1,0,0,0,0,0|2,0,1]=4 702 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,0,0,0,0,0|2,0,1]=4 703 B9R0.2 CC(=O)NCCCCC#N 11a_100000751965_100015343762 [1,0,0,0,0,0|2,0,1]=4 704 B9R0.2 CC(=O)NCCCCC#N 1626a_100000751965_100015343762 [1,0,0,0,0,0|2,0,1]=4 705 B9R0.2 CC(=O)NCCCCC#N 240690a_100000751965_100015343762 [1,0,0,0,0,0|2,0,1]=4 706 B9R0.2 CC(=O)NCCCCC#N 527a_100000751965_100103153847 [1,0,0,0,0,0|2,0,1]=4 707 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,0,0,0,0,0|2,0,0]=3 708 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [1,0,0,0,0,0|2,0,0]=3 709 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [1,0,0,0,0,0|2,0,0]=3 710 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [1,0,0,0,0,0|3,0,0]=4 711 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [1,0,0,0,0,0|3,0,0]=4 712 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [1,0,0,0,0,0|3,0,0]=4 713 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [1,0,0,0,0,0|3,0,0]=4 714 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [1,0,0,0,0,0|3,0,0]=4 715 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [1,0,0,0,0,0|3,0,0]=4 716 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [1,0,0,0,0,0|3,0,0]=4 717 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [1,0,0,0,0,0|3,0,0]=4 718 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [1,0,0,0,0,0|3,0,0]=4 719 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [1,0,0,0,0,0|3,0,0]=4 720 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [1,0,0,0,0,0|3,0,0]=4 721 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [1,0,0,0,0,0|3,0,0]=4 722 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [1,0,0,0,0,0|3,0,0]=4 723 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [1,0,0,0,0,0|3,0,0]=4 724 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [1,0,0,0,0,0|2,0,0]=3 725 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [1,0,0,0,0,0|2,0,0]=3 726 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [1,0,0,0,0,0|2,0,0]=3 727 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [1,0,0,0,0,0|2,0,0]=3 728 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [1,0,0,0,0,0|3,0,0]=4 729 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [1,0,0,0,0,0|3,0,0]=4 730 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [1,0,0,0,0,0|3,0,0]=4 731 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [1,0,0,0,0,0|3,0,0]=4 732 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [1,0,0,0,0,0|3,0,0]=4 733 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [1,0,0,0,0,0|3,0,0]=4 734 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [1,0,0,0,0,0|3,0,0]=4 735 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [1,0,0,0,0,0|3,0,0]=4 736 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [1,0,0,0,0,0|3,0,0]=4 737 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [1,0,0,0,0,0|3,0,0]=4 738 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [1,0,0,0,0,0|3,0,0]=4 739 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [1,0,0,0,0,0|3,0,0]=4 740 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [1,0,0,0,0,0|3,0,0]=4 741 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [1,0,0,0,0,0|3,0,0]=4 742 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [1,0,0,0,0,0|3,0,0]=4 743 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [1,0,0,0,0,0|3,0,0]=4 744 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [1,0,0,0,0,0|3,0,0]=4 745 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [1,0,0,0,0,0|3,0,0]=4 746 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [1,0,0,0,0,0|3,0,0]=4 747 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [1,0,0,0,0,0|3,0,0]=4 748 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [1,0,0,0,0,0|3,0,0]=4 749 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [1,0,0,0,0,0|2,0,0]=3 750 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [1,0,0,0,0,0|2,0,0]=3 751 B9R0.2 CC(=O)SCCCSCF 62a_100000038929_100015361967 [1,0,0,0,0,0|3,0,0]=4 752 B9R0.2 CC(=O)SCCCSCF 62a_100015361967_100000038929 [1,0,0,0,0,0|3,0,0]=4 753 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [1,0,0,0,0,0|0,0,2]=3 754 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [1,0,0,0,0,0|0,0,2]=3 755 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [1,0,0,0,0,0|0,0,2]=3 756 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [1,0,0,0,0,0|0,0,2]=3 757 B9R0.2 CCCCC=NNC(=O)C 4a_100000189765_100000210104 [1,0,0,0,0,0|2,0,1]=4 758 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [1,0,0,0,0,0|0,0,2]=3 759 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [1,0,0,0,0,0|0,0,2]=3 760 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [1,0,0,0,0,0|0,0,0]=1 761 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [1,0,0,0,0,0|0,0,0]=1 762 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,0,0,0,0,0|0,0,1]=2 763 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,0,0,0,0,0|0,0,1]=2 764 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,0,0,0,0,0|0,0,1]=2 765 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [1,0,0,0,0,0|2,0,1]=4 766 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [1,0,0,0,0,0|2,0,1]=4 767 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [1,0,0,0,0,0|2,0,1]=4 768 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [1,0,0,0,0,0|2,0,1]=4 769 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [1,0,0,0,0,0|2,0,1]=4 770 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [1,0,0,0,0,0|2,0,1]=4 771 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,0,0,0,0,0|1,0,0]=2 772 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,0,0,0,0,0|1,0,0]=2 773 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,0,0,0,0,0|1,0,0]=2 774 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,0,0,0,0,0|1,0,0]=2 775 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,0,0,0,0,0|2,0,1]=4 776 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,0,0,0,0,0|2,0,1]=4 777 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,0,0,0,0,0|2,0,1]=4 778 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,0,0,0,0,0|2,0,1]=4 779 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,0,0,0,0,0|2,0,1]=4 780 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,0,0,0,0,0|2,0,1]=4 781 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [1,0,0,0,0,0|2,0,1]=4 782 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [1,0,0,0,0,0|2,0,1]=4 783 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [1,0,0,0,0,0|2,0,1]=4 784 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [1,0,0,0,0,0|2,0,1]=4 785 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,0,0,0,0,0|2,0,1]=4 786 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [1,0,0,0,0,0|2,0,0]=3 787 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,0,0,0,0,0|1,0,1]=3 788 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [1,0,0,0,0,0|2,0,1]=4 789 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [1,0,0,0,0,0|2,0,1]=4 790 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [1,0,0,0,0,0|2,0,1]=4 791 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [1,0,0,0,0,0|2,0,1]=4 792 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [1,0,0,0,0,0|2,0,1]=4 793 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [1,0,0,0,0,0|2,0,1]=4 794 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [1,0,0,0,0,0|2,0,1]=4 795 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [1,0,0,0,0,0|2,0,0]=3 796 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [1,0,0,0,0,0|2,0,0]=3 797 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [1,0,0,0,0,0|2,0,0]=3 798 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,0,0,0,0,0|1,0,1]=3 799 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [1,0,0,0,0,0|2,0,1]=4 800 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [1,0,0,0,0,0|2,0,1]=4 801 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [1,0,0,0,0,0|2,0,0]=3 802 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [1,0,0,0,0,0|2,0,0]=3 803 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [1,0,0,0,0,0|2,0,0]=3 804 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,0,0,0,0,0|1,0,1]=3 805 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,0,0,0,0,0|1,0,1]=3 806 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,0,0,0,0,0|1,0,1]=3 807 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,0,0,0,0,0|1,0,1]=3 808 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [1,0,0,0,0,0|2,0,1]=4 809 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [1,0,0,0,0,0|2,0,1]=4 810 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [1,0,0,0,0,0|2,0,1]=4 811 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [1,0,0,0,0,0|2,0,1]=4 812 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [1,0,0,0,0,0|2,0,0]=3 813 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [1,0,0,0,0,0|2,0,0]=3 814 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [1,0,0,0,0,0|2,0,0]=3 815 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,0,0,0,0,0|1,0,1]=3 816 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,0,0,0,0,0|1,0,1]=3 817 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [1,0,0,0,0,0|2,0,1]=4 818 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [1,0,0,0,0,0|2,0,1]=4 819 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [1,0,0,0,0,0|2,0,0]=3 820 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [1,0,0,0,0,0|2,0,0]=3 821 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [1,0,0,0,0,0|2,0,1]=4 822 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [1,0,0,0,0,0|2,0,1]=4 823 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [1,0,0,0,0,0|2,0,0]=3 824 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [1,0,0,0,0,0|3,0,0]=4 825 B9R0.2 CCCNN=CC=C(C)C 4a_100000740057_100011215525 [1,0,0,0,0,0|3,0,0]=4 826 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [1,0,0,0,0,0|2,0,0]=3 827 B9R0.2 CCCOCCC=C(F)F 34a_100000210258_200009816681 [1,0,0,0,0,0|3,0,0]=4 828 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,0,0,0,0,0|1,0,1]=3 829 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,0,0,0,0,0|1,0,1]=3 830 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,0,0,0,0,0|1,0,1]=3 831 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [1,0,0,0,0,0|2,0,1]=4 832 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [1,0,0,0,0,0|2,0,0]=3 833 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [1,0,0,0,0,0|2,0,0]=3 834 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [1,0,0,0,0,0|2,0,0]=3 835 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [1,0,0,0,0,0|2,0,0]=3 836 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [1,0,0,0,0,0|3,0,0]=4 837 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [1,0,0,0,0,0|2,0,0]=3 838 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [1,0,0,0,0,0|3,0,0]=4 839 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [1,0,0,0,0,0|3,0,0]=4 840 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [1,0,0,0,0,0|2,0,0]=3 841 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [1,0,0,0,0,0|2,0,0]=3 842 B9R0.2 CCCSCCC=C(F)F 62a_100000210303_200009816681 [1,0,0,0,0,0|3,0,0]=4 843 B9R0.2 CCCSCCC=C(F)F 62a_200009816681_100000210303 [1,0,0,0,0,0|3,0,0]=4 844 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,0,0,0,0,0|1,0,1]=3 845 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,0,0,0,0,0|1,0,1]=3 846 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [1,0,0,0,0,0|2,0,1]=4 847 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [1,0,0,0,0,0|2,0,1]=4 848 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [1,0,0,0,0,0|2,0,0]=3 849 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [1,0,0,0,0,0|2,0,0]=3 850 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [1,0,0,0,0,0|2,0,0]=3 851 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [1,0,0,0,0,0|2,0,0]=3 852 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [1,0,0,0,0,0|2,0,0]=3 853 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [1,0,0,0,0,0|3,0,0]=4 854 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [1,0,0,0,0,0|3,0,0]=4 855 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [1,0,0,0,0,0|2,0,0]=3 856 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [1,0,0,0,0,0|2,0,0]=3 857 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [1,0,0,0,0,0|3,0,0]=4 858 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [1,0,0,0,0,0|3,0,0]=4 859 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [1,0,0,0,0,0|2,0,1]=4 860 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [1,0,0,0,0,0|2,0,0]=3 861 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [1,0,0,0,0,0|2,1,0]=4 862 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [1,0,0,0,0,0|2,0,0]=3 863 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,0,0,0,0,0|1,0,1]=3 864 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [1,0,0,0,0,0|2,0,1]=4 865 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [1,0,0,0,0,0|2,0,1]=4 866 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [1,0,0,0,0,0|2,0,0]=3 867 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [1,0,0,0,0,0|2,0,0]=3 868 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [1,0,0,0,0,0|2,0,0]=3 869 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [1,0,0,0,0,0|2,0,0]=3 870 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [1,0,0,0,0,0|2,0,0]=3 871 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [1,0,0,0,0,0|2,0,0]=3 872 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [1,0,0,0,0,0|2,1,0]=4 873 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [1,0,0,0,0,0|2,0,0]=3 874 B9R0.2 CCOCCNNC(=O)C 22a_100000732670_100000070787 [1,0,0,0,0,0|3,0,0]=4 875 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [1,0,0,0,0,0|2,0,1]=4 876 B9R0.2 CCOCSCC=C(C)C 62a_100000739092_100000761012 [1,0,0,0,0,0|3,0,0]=4 877 B9R0.2 CCOCSCC=C(C)C 62a_100000761012_100000739092 [1,0,0,0,0,0|3,0,0]=4 878 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [1,0,0,0,0,0|2,0,1]=4 879 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [1,0,0,0,0,0|2,0,1]=4 880 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [1,0,0,0,0,0|3,0,0]=4 881 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [1,0,0,0,0,0|3,0,0]=4 882 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,0,0,0,0,0|1,0,1]=3 883 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,0,0,0,0,0|1,0,1]=3 884 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [1,0,0,0,0,0|2,0,0]=3 885 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [1,0,0,0,0,0|2,0,0]=3 886 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [1,0,0,0,0,0|2,1,0]=4 887 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [1,0,0,0,0,0|2,1,0]=4 888 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [1,0,0,0,0,0|2,0,0]=3 889 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [1,0,0,0,0,0|2,0,0]=3 890 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [1,0,0,0,0,0|2,0,1]=4 891 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [1,0,0,0,0,0|2,0,1]=4 892 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [1,0,0,0,0,0|2,0,1]=4 893 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [1,0,0,0,0,0|2,0,1]=4 894 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [1,0,0,0,0,0|2,0,0]=3 895 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [1,0,0,0,0,0|2,0,0]=3 896 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [1,0,0,0,0,0|2,0,0]=3 897 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [1,0,0,0,0,0|2,0,0]=3 898 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [1,0,0,0,0,0|2,0,0]=3 899 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [1,0,0,0,0,0|2,0,0]=3 900 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [1,0,0,0,0,0|2,0,0]=3 901 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [1,0,0,0,0,0|3,0,0]=4 902 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,0,0,0,0,0|1,0,1]=3 903 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [1,0,0,0,0,0|2,0,1]=4 904 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [1,0,0,0,0,0|2,0,1]=4 905 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [1,0,0,0,0,0|2,0,1]=4 906 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,0,0,0,0,0|1,0,1]=3 907 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [1,0,0,0,0,0|2,0,1]=4 908 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [1,0,0,0,0,0|2,0,0]=3 909 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [1,0,0,0,0,0|2,0,0]=3 910 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [1,0,0,0,0,0|2,0,0]=3 911 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [1,0,0,0,0,0|2,0,0]=3 912 B9R0.2 COCCCNNC(=O)C 22a_100025702787_100000070787 [1,0,0,0,0,0|3,0,0]=4 913 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [1,0,0,0,0,0|2,0,1]=4 914 B9R0.2 COCCNCC=C(C)C 2230a_100000209980_100000761012 [1,0,0,0,0,0|3,0,0]=4 915 B9R0.2 COCCNCC=C(C)C 34a_100000718196_100011201679 [1,0,0,0,0,0|3,0,0]=4 916 B9R0.2 COCCOCC=C(C)C 34a_100000210237_100000761012 [1,0,0,0,0,0|3,0,0]=4 917 B9R0.2 COCCOCC=C(C)C 34a_100000753907_100011201679 [1,0,0,0,0,0|3,0,0]=4 918 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [1,0,0,0,0,0|2,0,1]=4 919 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [1,0,0,0,0,0|2,0,1]=4 920 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [1,0,0,0,0,0|2,0,1]=4 921 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [1,0,0,0,0,0|2,0,1]=4 922 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [1,0,0,0,0,0|2,0,1]=4 923 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [1,0,0,0,0,0|3,0,0]=4 924 B9R0.2 COCCSCC=C(C)C 62a_100000233755_100000761012 [1,0,0,0,0,0|3,0,0]=4 925 B9R0.2 COCCSCC=C(C)C 62a_100000761012_100000233755 [1,0,0,0,0,0|3,0,0]=4 926 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [1,0,0,0,0,0|2,0,1]=4 927 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [1,0,0,0,0,0|2,0,1]=4 928 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [1,0,0,0,0,0|3,0,0]=4 929 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [1,0,0,0,0,0|3,0,0]=4 930 B9R0.2 COCNCCNC(=O)C 2230a_100000209853_100000766300 [1,0,0,0,0,0|3,0,0]=4 931 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [1,0,0,0,0,0|3,0,0]=4 932 B9R0.2 COCSCCC=C(C)C 62a_100000766300_100011217483 [1,0,0,0,0,0|3,0,0]=4 933 B9R0.2 COCSCCC=C(C)C 62a_100011217483_100000766300 [1,0,0,0,0,0|3,0,0]=4 934 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [1,0,0,0,0,0|2,0,1]=4 935 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [1,0,0,0,0,0|2,0,1]=4 936 B9R0.2 COCSCCNC(=O)C 62a_100000189650_100000766300 [1,0,0,0,0,0|3,0,0]=4 937 B9R0.2 COCSCCNC(=O)C 62a_100000766300_100000189650 [1,0,0,0,0,0|3,0,0]=4 938 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [1,0,0,0,0,0|3,0,0]=4 939 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [1,0,0,0,0,0|3,0,0]=4 940 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [1,0,0,0,0,0|2,0,1]=4 941 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [1,0,0,0,0,0|2,0,1]=4 942 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [1,0,0,0,0,0|2,0,0]=3 943 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [1,0,0,0,0,0|2,0,0]=3 944 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [1,0,0,0,0,0|2,0,0]=3 945 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [1,0,0,0,0,0|2,0,0]=3 946 B9R0.2 CSCCNCC=C(C)C 2230a_100020590264_100000761012 [1,0,0,0,0,0|3,0,0]=4 947 B9R0.2 CSCCNCC=C(C)C 34a_100000718196_100000212216 [1,0,0,0,0,0|3,0,0]=4 948 B9R0.2 CSCCOCC=C(C)C 34a_100000230434_100000761012 [1,0,0,0,0,0|3,0,0]=4 949 B9R0.2 CSCCOCC=C(C)C 34a_100000753907_100000212216 [1,0,0,0,0,0|3,0,0]=4 950 B9R0.2 CSCCOCC=C(C)C 7a_100000230434_100000761012 [1,0,0,0,0,0|3,0,0]=4 951 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [1,0,0,0,0,0|2,0,1]=4 952 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [1,0,0,0,0,0|2,0,1]=4 953 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [1,0,0,0,0,0|2,0,1]=4 954 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [1,0,0,0,0,0|3,0,0]=4 955 B9R0.2 CSCCSCC=C(C)C 62a_100000212216_100000761012 [1,0,0,0,0,0|3,0,0]=4 956 B9R0.2 CSCCSCC=C(C)C 62a_100000761012_100000751147 [1,0,0,0,0,0|3,0,0]=4 957 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [1,0,0,0,0,0|2,0,1]=4 958 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [1,0,0,0,0,0|2,0,1]=4 959 B9R0.2 CSCCSCOC(=O)C 62a_100000076356_100000751147 [1,0,0,0,0,0|3,0,0]=4 960 B9R0.2 CSCCSCOC(=O)C 62a_100000212216_100000076356 [1,0,0,0,0,0|3,0,0]=4 961 B9R0.2 CSCNCCNC(=O)C 2230a_100000209853_100011218213 [1,0,0,0,0,0|3,0,0]=4 962 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [1,0,0,0,0,0|2,0,1]=4 963 B9R0.2 CSCOCCNC(=O)C 34a_100000158858_100011218213 [1,0,0,0,0,0|3,0,0]=4 964 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [1,0,0,0,0,0|3,0,0]=4 965 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [1,0,0,0,0,0|3,0,0]=4 966 B9R0.2 CSCSCCC=C(C)C 62a_100011217483_100011218213 [1,0,0,0,0,0|3,0,0]=4 967 B9R0.2 CSCSCCC=C(C)C 62a_100011218213_100011217483 [1,0,0,0,0,0|3,0,0]=4 968 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [1,0,0,0,0,0|2,0,1]=4 969 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [1,0,0,0,0,0|2,0,1]=4 970 B9R0.2 CSCSCCNC(=O)C 62a_100000189650_100011218213 [1,0,0,0,0,0|3,0,0]=4 971 B9R0.2 CSCSCCNC(=O)C 62a_100011218213_100000189650 [1,0,0,0,0,0|3,0,0]=4 972 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [1,0,0,0,0,0|3,0,0]=4 973 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [1,0,0,0,0,0|3,0,0]=4 974 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,0,0,0,0,0|1,0,1]=3 975 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [1,0,0,0,0,0|2,0,1]=4 976 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [1,0,0,0,0,0|2,0,1]=4 977 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [1,0,0,0,0,0|2,0,1]=4 978 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [1,0,0,0,0,0|2,0,1]=4 979 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [1,0,0,0,0,0|2,0,1]=4 980 B9R0.45 C/C=C/C=C/COCCC 34a_100016283227_100000210303 [1,0,0,0,0,0|1,0,1]=3 981 B9R0.45 C/C=C/C=C/COCCF 34a_100016283227_100011217306 [1,0,0,0,0,0|2,0,1]=4 982 B9R0.45 C/C=C/C=C/COCCO 34a_100016283227_100000211926 [1,0,0,0,0,0|2,0,1]=4 983 B9R0.45 C/C=C/C=C/COCSC 34a_100016283227_100011218213 [1,0,0,0,0,0|2,0,1]=4 984 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [1,0,0,0,0,0|1,0,1]=3 985 B9R0.45 C/C=C/CCOCCCF 34a_100016278192_100011934791 [1,0,0,0,0,0|2,0,1]=4 986 B9R0.45 C/C=C/CCOCCCO 34a_100016278192_100000230001 [1,0,0,0,0,0|2,0,1]=4 987 B9R0.45 C/C=C/CCOCCOC 34a_100016278192_100011201679 [1,0,0,0,0,0|2,0,1]=4 988 B9R0.45 C/C=C/CCOCCSC 34a_100016278192_100000212216 [1,0,0,0,0,0|2,0,1]=4 989 B9R0.45 C/C=C/CNCCCCO 34a_100000750430_100102629194 [1,0,0,0,0,0|2,0,1]=4 990 B9R0.45 C/C=C/CNCCCOC 34a_100150723488_100102629194 [1,0,0,0,0,0|2,0,1]=4 991 B9R0.45 C/C=C/CNCCOCC 34a_102516460346_100102629194 [1,0,0,0,0,0|2,0,1]=4 992 B9R0.45 C/C=C/COCCCCBr 34a_100011216708_100102629194 [1,0,0,0,0,0|2,0,1]=4 993 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [1,0,0,0,0,0|1,0,1]=3 994 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [1,0,0,0,0,0|1,0,1]=3 995 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [1,0,0,0,0,0|1,0,1]=3 996 B9R0.45 C/C=C/COCCCCCl 34a_100000210776_100102629194 [1,0,0,0,0,0|2,0,1]=4 997 B9R0.45 C/C=C/COCCCCCl 7a_100000210776_100102629194 [1,0,0,0,0,0|2,0,1]=4 998 B9R0.45 C/C=C/COCCCCF 34a_100011995726_100102629194 [1,0,0,0,0,0|2,0,1]=4 999 B9R0.45 C/C=C/COCCCCF 34a_100016270725_100000729493 [1,0,0,0,0,0|2,0,1]=4 1000 B9R0.45 C/C=C/COCCCCF 7a_100011995726_100102629194 [1,0,0,0,0,0|2,0,1]=4 1001 B9R0.45 C/C=C/COCCCCI 34a_200012148704_100102629194 [1,0,0,0,0,0|2,0,1]=4 1002 B9R0.45 C/C=C/COCCCCN 34a_100000750430_100102629194 [1,0,0,0,0,0|2,0,1]=4 1003 B9R0.45 C/C=C/COCCCCO 34a_100016270725_100011216708 [1,0,0,0,0,0|2,0,1]=4 1004 B9R0.45 C/C=C/COCCCNC 34a_100000213112_100102629194 [1,0,0,0,0,0|2,0,1]=4 1005 B9R0.45 C/C=C/COCCCOC 34a_100000740835_100102629194 [1,0,0,0,0,0|2,0,1]=4 1006 B9R0.45 C/C=C/COCCCOC 34a_100016270725_100000740836 [1,0,0,0,0,0|2,0,1]=4 1007 B9R0.45 C/C=C/COCCCSC 34a_100000690336_100102629194 [1,0,0,0,0,0|2,0,1]=4 1008 B9R0.45 C/C=C/COCCCSC 7a_100000690336_100102629194 [1,0,0,0,0,0|2,0,1]=4 1009 B9R0.45 C/C=C/COCCOCC 34a_100000210136_100102629194 [1,0,0,0,0,0|2,0,1]=4 1010 B9R0.45 C/C=C/COCCOCC 34a_100016270725_100000210147 [1,0,0,0,0,0|2,0,1]=4 1011 B9R0.45 C/C=C/COCCOCC 7a_100000210136_100102629194 [1,0,0,0,0,0|2,0,1]=4 1012 B9R0.45 C/C=C/COCCSCC 34a_100000212035_100102629194 [1,0,0,0,0,0|2,0,1]=4 1013 B9R0.45 C/C=C/COCCSCC 34a_100016270725_100000757381 [1,0,0,0,0,0|2,0,1]=4 1014 B9R0.45 C/C=C/COCCSCC 7a_100000212035_100102629194 [1,0,0,0,0,0|2,0,1]=4 1015 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [1,0,0,0,0,0|1,0,1]=3 1016 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [1,0,0,0,0,0|1,0,1]=3 1017 B9R0.45 C/C=C/CSCCCCF 62a_100000729493_100102629194 [1,0,0,0,0,0|2,0,1]=4 1018 B9R0.45 C/C=C/CSCCCCF 62a_100102629194_100000729493 [1,0,0,0,0,0|2,0,1]=4 1019 B9R0.45 C/C=C/CSCCCCO 62a_100000210776_100102629194 [1,0,0,0,0,0|2,0,1]=4 1020 B9R0.45 C/C=C/CSCCCCO 62a_100102629194_100000210776 [1,0,0,0,0,0|2,0,1]=4 1021 B9R0.45 C/C=C/CSCCCOC 62a_100000709357_100102629194 [1,0,0,0,0,0|2,0,1]=4 1022 B9R0.45 C/C=C/CSCCCOC 62a_100102629194_100000709357 [1,0,0,0,0,0|2,0,1]=4 1023 B9R0.45 C/C=C/CSCCOCC 62a_100000210147_100102629194 [1,0,0,0,0,0|2,0,1]=4 1024 B9R0.45 C/C=C/CSCCOCC 62a_100102629194_100011215890 [1,0,0,0,0,0|2,0,1]=4 1025 B9R0.45 C/C=C/CSCCSCC 62a_100000757381_100102629194 [1,0,0,0,0,0|2,0,1]=4 1026 B9R0.45 C/C=C/CSCCSCC 62a_100102629194_100000757381 [1,0,0,0,0,0|2,0,1]=4 1027 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [1,0,0,0,0,0|1,0,2]=4 1028 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [1,0,0,0,0,0|1,0,2]=4 1029 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [1,0,0,0,0,0|1,0,2]=4 1030 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [1,0,0,0,0,0|1,0,2]=4 1031 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [1,0,0,0,0,0|1,0,2]=4 1032 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [1,0,0,0,0,0|1,0,2]=4 1033 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [1,0,0,0,0,0|1,0,2]=4 1034 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [1,0,0,0,0,0|1,0,1]=3 1035 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [1,0,0,0,0,0|1,0,1]=3 1036 B9R0.45 CC/C=C/CCCOCF 34a_100016287902_100015361967 [1,0,0,0,0,0|2,0,1]=4 1037 B9R0.45 CC/C=C/CCCOCF 7a_100016287902_100015361967 [1,0,0,0,0,0|2,0,1]=4 1038 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [1,0,0,0,0,0|1,0,1]=3 1039 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [1,0,0,0,0,0|1,0,1]=3 1040 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [1,0,0,0,0,0|1,0,1]=3 1041 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [1,0,0,0,0,0|1,0,1]=3 1042 B9R0.45 CC/C=C\CCNCCF 34a_100000724931_100015370543 [1,0,0,0,0,0|2,0,1]=4 1043 B9R0.45 CC/C=C\CCNCCO 2230a_100016997473_100015370543 [1,0,0,0,0,0|2,0,1]=4 1044 B9R0.45 CC/C=C\CCNCCO 34a_100016990907_100015370543 [1,0,0,0,0,0|2,0,1]=4 1045 B9R0.45 CC/C=C\CCOCCBr 34a_100000211926_100015370543 [1,0,0,0,0,0|2,0,1]=4 1046 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [1,0,0,0,0,0|1,0,1]=3 1047 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [1,0,0,0,0,0|1,0,1]=3 1048 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [1,0,0,0,0,0|1,0,1]=3 1049 B9R0.45 CC/C=C\CCOCCF 34a_100016288707_100011217306 [1,0,0,0,0,0|2,0,1]=4 1050 B9R0.45 CC/C=C\CCOCCF 7a_100016288707_100011217306 [1,0,0,0,0,0|2,0,1]=4 1051 B9R0.45 CC/C=C\CCOCCN 34a_100000210304_100015370543 [1,0,0,0,0,0|2,0,1]=4 1052 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [1,0,0,0,0,0|2,0,1]=4 1053 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [1,0,0,0,0,0|2,0,1]=4 1054 B9R0.45 CC/C=C\CCOCSC 34a_100016288707_100011218213 [1,0,0,0,0,0|2,0,1]=4 1055 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [1,0,0,0,0,0|1,0,1]=3 1056 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [1,0,0,0,0,0|1,0,1]=3 1057 B9R0.45 CC/C=C\CCSCCF 62a_100011217306_100015370543 [1,0,0,0,0,0|2,0,1]=4 1058 B9R0.45 CC/C=C\CCSCCF 62a_100015370543_100011217306 [1,0,0,0,0,0|2,0,1]=4 1059 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [1,0,0,0,0,0|2,0,1]=4 1060 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [1,0,0,0,0,0|2,0,1]=4 1061 B9R0.45 CC/C=C\CCSCOC 62a_100000766300_100015370543 [1,0,0,0,0,0|2,0,1]=4 1062 B9R0.45 CC/C=C\CCSCOC 62a_100015370543_100000766300 [1,0,0,0,0,0|2,0,1]=4 1063 B9R0.45 CC/C=C\CCSCSC 62a_100011218213_100015370543 [1,0,0,0,0,0|2,0,1]=4 1064 B9R0.45 CC/C=C\CCSCSC 62a_100015370543_100011218213 [1,0,0,0,0,0|2,0,1]=4 1065 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [1,0,0,0,0,0|1,0,1]=3 1066 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [1,0,0,0,0,0|1,0,1]=3 1067 B9R0.45 CC/C=C\CNCCCF 2230a_100015189416_100103147603 [1,0,0,0,0,0|2,0,1]=4 1068 B9R0.45 CC/C=C\CNCCCF 34a_100015189416_100103147603 [1,0,0,0,0,0|2,0,1]=4 1069 B9R0.45 CC/C=C\CNCCOC 2230a_100000209980_100103147603 [1,0,0,0,0,0|2,0,1]=4 1070 B9R0.45 CC/C=C\CNCCSC 2230a_100020590264_100103147603 [1,0,0,0,0,0|2,0,1]=4 1071 B9R0.45 CC/C=C\COCCCBr 34a_100011217188_100103147603 [1,0,0,0,0,0|2,0,1]=4 1072 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [1,0,0,0,0,0|1,0,1]=3 1073 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [1,0,0,0,0,0|1,0,1]=3 1074 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [1,0,0,0,0,0|1,0,1]=3 1075 B9R0.45 CC/C=C\COCCCCl 34a_100000230001_100103147603 [1,0,0,0,0,0|2,0,1]=4 1076 B9R0.45 CC/C=C\COCCCF 34a_100000759539_100103147603 [1,0,0,0,0,0|2,0,1]=4 1077 B9R0.45 CC/C=C\COCCCF 34a_100016268518_100011934791 [1,0,0,0,0,0|2,0,1]=4 1078 B9R0.45 CC/C=C\COCCCN 34a_100000182051_100103147603 [1,0,0,0,0,0|2,0,1]=4 1079 B9R0.45 CC/C=C\COCCCO 34a_100016268518_100000230001 [1,0,0,0,0,0|2,0,1]=4 1080 B9R0.45 CC/C=C\COCCOC 34a_100000210237_100103147603 [1,0,0,0,0,0|2,0,1]=4 1081 B9R0.45 CC/C=C\COCCOC 34a_100016268518_100011201679 [1,0,0,0,0,0|2,0,1]=4 1082 B9R0.45 CC/C=C\COCCSC 34a_100000230434_100103147603 [1,0,0,0,0,0|2,0,1]=4 1083 B9R0.45 CC/C=C\COCCSC 34a_100016268518_100000212216 [1,0,0,0,0,0|2,0,1]=4 1084 B9R0.45 CC/C=C\COCCSC 7a_100000230434_100103147603 [1,0,0,0,0,0|2,0,1]=4 1085 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [1,0,0,0,0,0|1,0,1]=3 1086 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [1,0,0,0,0,0|1,0,1]=3 1087 B9R0.45 CC/C=C\CSCCCF 62a_100011934791_100103147603 [1,0,0,0,0,0|2,0,1]=4 1088 B9R0.45 CC/C=C\CSCCCF 62a_100103147603_100011934791 [1,0,0,0,0,0|2,0,1]=4 1089 B9R0.45 CC/C=C\CSCCCO 62a_100011215043_100103147603 [1,0,0,0,0,0|2,0,1]=4 1090 B9R0.45 CC/C=C\CSCCCO 62a_100103147603_100011215043 [1,0,0,0,0,0|2,0,1]=4 1091 B9R0.45 CC/C=C\CSCCOC 62a_100000233755_100103147603 [1,0,0,0,0,0|2,0,1]=4 1092 B9R0.45 CC/C=C\CSCCOC 62a_100103147603_100000233755 [1,0,0,0,0,0|2,0,1]=4 1093 B9R0.45 CC/C=C\CSCCSC 62a_100000212216_100103147603 [1,0,0,0,0,0|2,0,1]=4 1094 B9R0.45 CC/C=C\CSCCSC 62a_100103147603_100000751147 [1,0,0,0,0,0|2,0,1]=4 1095 B9R0.45 CC/C=C\CSCOCC 62a_100000739092_100103147603 [1,0,0,0,0,0|2,0,1]=4 1096 B9R0.45 CC/C=C\CSCOCC 62a_100103147603_100000739092 [1,0,0,0,0,0|2,0,1]=4 1097 B9R0.45 CC=C=CCCOCCC 34a_100011020354_100000210303 [1,0,0,0,0,0|1,0,1]=3 1098 B9R0.45 CC=C=CCCOCCF 34a_100011020354_100011217306 [1,0,0,0,0,0|2,0,1]=4 1099 B9R0.45 CC=C=CCCOCCO 34a_100011020354_100000211926 [1,0,0,0,0,0|2,0,1]=4 1100 B9R0.45 CC=C=CCCOCSC 34a_100011020354_100011218213 [1,0,0,0,0,0|2,0,1]=4 1101 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [1,0,0,0,0,0|1,0,1]=3 1102 B9R0.45 CC=CCCCOCCF 34a_100020645299_100011217306 [1,0,0,0,0,0|2,0,1]=4 1103 B9R0.45 CC=CCCCOCCO 34a_100020645299_100000211926 [1,0,0,0,0,0|2,0,1]=4 1104 B9R0.45 CC=CCCCOCSC 34a_100020645299_100011218213 [1,0,0,0,0,0|2,0,1]=4 1105 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [1,0,0,0,0,0|1,0,1]=3 1106 B9R0.45 CC=CCNCCCCO 2230a_100000750430_100000070051 [1,0,0,0,0,0|2,0,1]=4 1107 B9R0.45 CC=CCNCCCCO 34a_100000750430_100000070051 [1,0,0,0,0,0|2,0,1]=4 1108 B9R0.45 CC=CCNCCCOC 34a_100150723488_100000070051 [1,0,0,0,0,0|2,0,1]=4 1109 B9R0.45 CC=CCNCCCSC 2230a_100000749238_100000070051 [1,0,0,0,0,0|2,0,1]=4 1110 B9R0.45 CC=CCNCCOCC 2230a_102516460346_100000070051 [1,0,0,0,0,0|2,0,1]=4 1111 B9R0.45 CC=CCNCCOCC 34a_102516460346_100000070051 [1,0,0,0,0,0|2,0,1]=4 1112 B9R0.45 CC=CCNCCSCC 2230a_100000106463_100000070051 [1,0,0,0,0,0|2,0,1]=4 1113 B9R0.45 CC=CCOCCCCBr 34a_100011216708_100000070051 [1,0,0,0,0,0|2,0,1]=4 1114 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [1,0,0,0,0,0|1,0,1]=3 1115 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [1,0,0,0,0,0|1,0,1]=3 1116 B9R0.45 CC=CCOCCCCCl 34a_100000210776_100000070051 [1,0,0,0,0,0|2,0,1]=4 1117 B9R0.45 CC=CCOCCCCCl 7a_100000210776_100000070051 [1,0,0,0,0,0|2,0,1]=4 1118 B9R0.45 CC=CCOCCCCF 34a_100011995726_100000070051 [1,0,0,0,0,0|2,0,1]=4 1119 B9R0.45 CC=CCOCCCCF 7a_100011995726_100000070051 [1,0,0,0,0,0|2,0,1]=4 1120 B9R0.45 CC=CCOCCCCI 34a_200012148704_100000070051 [1,0,0,0,0,0|2,0,1]=4 1121 B9R0.45 CC=CCOCCCCN 34a_100000750430_100000070051 [1,0,0,0,0,0|2,0,1]=4 1122 B9R0.45 CC=CCOCCCNC 34a_100000213112_100000070051 [1,0,0,0,0,0|2,0,1]=4 1123 B9R0.45 CC=CCOCCCOC 34a_100000740835_100000070051 [1,0,0,0,0,0|2,0,1]=4 1124 B9R0.45 CC=CCOCCCSC 34a_100000690336_100000070051 [1,0,0,0,0,0|2,0,1]=4 1125 B9R0.45 CC=CCOCCCSC 7a_100000690336_100000070051 [1,0,0,0,0,0|2,0,1]=4 1126 B9R0.45 CC=CCOCCOCC 34a_100000210136_100000070051 [1,0,0,0,0,0|2,0,1]=4 1127 B9R0.45 CC=CCOCCOCC 7a_100000210136_100000070051 [1,0,0,0,0,0|2,0,1]=4 1128 B9R0.45 CC=CCOCCSCC 34a_100000212035_100000070051 [1,0,0,0,0,0|2,0,1]=4 1129 B9R0.45 CC=CCOCCSCC 7a_100000212035_100000070051 [1,0,0,0,0,0|2,0,1]=4 1130 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [1,0,0,0,0,0|1,0,1]=3 1131 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [1,0,0,0,0,0|1,0,1]=3 1132 B9R0.45 CC=CCSCCCCF 62a_100000070051_100000729493 [1,0,0,0,0,0|2,0,1]=4 1133 B9R0.45 CC=CCSCCCCF 62a_100000729493_100000070051 [1,0,0,0,0,0|2,0,1]=4 1134 B9R0.45 CC=CCSCCCCO 62a_100000070051_100000210776 [1,0,0,0,0,0|2,0,1]=4 1135 B9R0.45 CC=CCSCCCCO 62a_100000210776_100000070051 [1,0,0,0,0,0|2,0,1]=4 1136 B9R0.45 CC=CCSCCCOC 62a_100000070051_100000709357 [1,0,0,0,0,0|2,0,1]=4 1137 B9R0.45 CC=CCSCCCOC 62a_100000709357_100000070051 [1,0,0,0,0,0|2,0,1]=4 1138 B9R0.45 CC=CCSCCOCC 62a_100000070051_100011215890 [1,0,0,0,0,0|2,0,1]=4 1139 B9R0.45 CC=CCSCCOCC 62a_100000210147_100000070051 [1,0,0,0,0,0|2,0,1]=4 1140 B9R0.45 CC=CCSCCSCC 62a_100000070051_100000757381 [1,0,0,0,0,0|2,0,1]=4 1141 B9R0.45 CC=CCSCCSCC 62a_100000757381_100000070051 [1,0,0,0,0,0|2,0,1]=4 1142 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [1,0,0,0,0,0|2,0,1]=4 1143 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [1,0,0,0,0,0|1,0,2]=4 1144 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [1,0,0,0,0,0|1,0,2]=4 1145 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [1,0,0,0,0,0|1,0,2]=4 1146 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [1,0,0,0,0,0|1,0,2]=4 1147 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [1,0,0,0,0,0|1,0,2]=4 1148 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [1,0,0,0,0,0|1,0,2]=4 1149 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [1,0,0,0,0,0|1,0,2]=4 1150 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [1,0,0,0,0,0|1,0,2]=4 1151 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [1,0,0,0,0,0|1,0,2]=4 1152 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [1,0,0,0,0,0|1,0,2]=4 1153 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [1,0,0,0,0,0|1,0,2]=4 1154 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [1,0,0,0,0,0|1,0,2]=4 1155 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [1,0,0,0,0,0|1,0,2]=4 1156 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [1,0,0,0,0,0|1,0,2]=4 1157 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [1,0,0,0,0,0|1,0,2]=4 1158 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [1,0,0,0,0,0|1,0,2]=4 1159 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [1,0,0,0,0,0|1,0,2]=4 1160 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [1,0,0,0,0,0|1,0,2]=4 1161 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [1,0,0,0,0,0|1,0,2]=4 1162 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [1,0,0,0,0,0|1,0,2]=4 1163 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [1,0,0,0,0,0|1,0,2]=4 1164 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [1,0,0,0,0,0|1,0,2]=4 1165 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [1,0,0,0,0,0|1,0,2]=4 1166 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [1,0,0,0,0,0|1,0,2]=4 1167 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [1,0,0,0,0,0|1,0,2]=4 1168 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [1,0,0,0,0,0|1,0,2]=4 1169 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [1,0,0,0,0,0|1,0,2]=4 1170 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [1,0,0,0,0,0|1,0,1]=3 1171 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [1,0,0,0,0,0|1,0,2]=4 1172 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [1,0,0,0,0,0|2,0,1]=4 1173 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [1,0,0,0,0,0|2,0,1]=4 1174 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [1,0,0,0,0,0|1,0,1]=3 1175 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [1,0,0,0,0,0|1,0,1]=3 1176 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [1,0,0,0,0,0|1,0,2]=4 1177 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [1,0,0,0,0,0|1,0,2]=4 1178 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [1,0,0,0,0,0|1,0,2]=4 1179 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [1,0,0,0,0,0|2,0,1]=4 1180 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [1,0,0,0,0,0|1,0,1]=3 1181 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [1,0,0,0,0,0|1,0,1]=3 1182 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [1,0,0,0,0,0|1,0,2]=4 1183 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [1,0,0,0,0,0|1,0,2]=4 1184 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [1,0,0,0,0,0|2,0,1]=4 1185 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [1,0,0,0,0,0|2,0,1]=4 1186 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [1,0,0,0,0,0|2,0,1]=4 1187 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [1,0,0,0,0,0|2,0,1]=4 1188 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [1,0,0,0,0,0|1,0,2]=4 1189 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [1,0,0,0,0,0|1,0,2]=4 1190 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [1,0,0,0,0,0|1,0,2]=4 1191 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [1,0,0,0,0,0|2,0,1]=4 1192 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [1,0,0,0,0,0|2,0,1]=4 1193 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [1,0,0,0,0,0|1,0,2]=4 1194 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [1,0,0,0,0,0|1,0,2]=4 1195 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [1,0,0,0,0,0|2,0,1]=4 1196 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [1,0,0,0,0,0|2,0,1]=4 1197 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [1,0,0,0,0,0|2,0,1]=4 1198 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [1,0,0,0,0,0|2,0,1]=4 1199 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [1,0,0,0,0,0|2,0,1]=4 1200 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [1,0,0,0,0,0|2,0,1]=4 1201 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [1,0,0,0,0,0|1,0,2]=4 1202 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [1,0,0,0,0,0|1,0,2]=4 1203 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [1,0,0,0,0,0|2,0,1]=4 1204 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [1,0,0,0,0,0|2,0,1]=4 1205 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [1,0,0,0,0,0|2,0,1]=4 1206 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [1,0,0,0,0,0|1,0,2]=4 1207 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [1,0,0,0,0,0|2,0,1]=4 1208 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [1,0,0,0,0,0|2,0,1]=4 1209 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [1,0,0,0,0,0|2,0,1]=4 1210 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [1,0,0,0,0,0|2,0,1]=4 1211 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [1,0,0,0,0,0|2,0,1]=4 1212 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [1,0,0,0,0,0|2,0,1]=4 1213 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [1,0,0,0,0,0|1,0,2]=4 1214 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [1,0,0,0,0,0|1,0,2]=4 1215 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [1,0,0,0,0,0|2,0,1]=4 1216 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [1,0,0,0,0,0|2,0,1]=4 1217 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [1,0,0,0,0,0|2,0,1]=4 1218 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [1,0,0,0,0,0|2,0,1]=4 1219 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [1,0,0,0,0,0|2,0,1]=4 1220 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [1,0,0,0,0,0|2,0,1]=4 1221 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [1,0,0,0,0,0|2,0,1]=4 1222 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [1,0,0,0,0,0|2,0,1]=4 1223 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [1,0,0,0,0,0|2,0,1]=4 1224 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [1,0,0,0,0,0|2,0,1]=4 1225 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [1,0,0,0,0,0|2,0,1]=4 1226 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [1,0,0,0,0,0|2,0,1]=4 1227 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [1,0,0,0,0,0|2,0,1]=4 1228 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [1,0,0,0,0,0|2,0,1]=4 1229 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [1,0,0,0,0,0|2,0,1]=4 1230 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [1,0,0,0,0,0|2,0,1]=4 1231 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [1,0,0,0,0,0|2,0,1]=4 1232 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [1,0,0,0,0,0|2,0,1]=4 1233 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [1,0,0,0,0,0|2,0,1]=4 1234 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [1,0,0,0,0,0|2,0,1]=4 1235 B11R0.2 C#CCCCCC(=O)C=C(C)C 1458a_100000211388_100010269958 [0,1,0,0,0,0|1,0,2]=4 1236 B11R0.2 C#CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100010269958 [0,1,0,0,0,0|1,0,2]=4 1237 B11R0.2 C#CCCCCC(=O)C=C(C)I 1458a_100025716642_100010269958 [0,1,0,0,0,0|1,0,2]=4 1238 B11R0.2 C=C(C)CC(=O)CCCCCC 1458a_100102632555_100000748629 [0,1,0,0,0,0|1,0,1]=3 1239 B11R0.2 C=C(C)CC(=O)CCCCCO 1458a_100102619762_100000748629 [0,1,0,0,0,0|2,0,1]=4 1240 B11R0.2 C=C(C)CC(=O)COCCCC 1458a_100000757543_100000748629 [0,1,0,0,0,0|2,0,1]=4 1241 B11R0.2 C=C(C)CC(=O)CSCCCC 1458a_100000191162_100000748629 [0,1,0,0,0,0|2,0,1]=4 1242 B11R0.2 C=C(C)CN(C)CCCCCC 2230a_100000225649_100000210314 [0,1,0,0,0,0|2,0,1]=4 1243 B11R0.2 C=C(C)CN(C)CCCCCC 2230a_106256046315_100000748629 [0,1,0,0,0,0|2,0,1]=4 1244 B11R0.2 C=C(C)CN(C)CCCCCC 269982a_100000225649_100000210757 [0,1,0,0,0,0|2,0,1]=4 1245 B11R0.2 C=C(C)CN(C)CCCCCC 269982a_106256046315_100000748629 [0,1,0,0,0,0|2,0,1]=4 1246 B11R0.2 C=C(F)CC(=O)CCCCCC 1458a_100102632555_100009893438 [0,1,0,0,0,0|1,0,2]=4 1247 B11R0.2 C=CCCCCC(=O)C=C(C)C 1458a_100000211388_100011215482 [0,1,0,0,0,0|1,0,2]=4 1248 B11R0.2 C=CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100011215482 [0,1,0,0,0,0|1,0,2]=4 1249 B11R0.2 C=CCCCCC(=O)C=C(C)I 1458a_100025716642_100011215482 [0,1,0,0,0,0|1,0,2]=4 1250 B11R0.2 CC(=CC(=O)CCCCC#N)C 1458a_100000211388_100000211819 [0,1,0,0,0,0|2,0,1]=4 1251 B11R0.2 CC(=CC(=O)CCCCC#N)Cl 1458a_200042562850_100000211819 [0,1,0,0,0,0|2,0,1]=4 1252 B11R0.2 CC(=CC(=O)CCCCC#N)I 1458a_100025716642_100000211819 [0,1,0,0,0,0|2,0,1]=4 1253 B11R0.2 CC(=CC(=O)CCCCCF)C 1458a_100000211388_100000729378 [0,1,0,0,0,0|2,0,0]=3 1254 B11R0.2 CC(=CC(=O)CCCCCF)Cl 1458a_200042562850_100000729378 [0,1,0,0,0,0|2,0,0]=3 1255 B11R0.2 CC(=CC(=O)CCCCCF)I 1458a_100025716642_100000729378 [0,1,0,0,0,0|2,0,0]=3 1256 B11R0.2 CC(=CC(=O)CCCCCO)C 1458a_100000211388_100000746330 [0,1,0,0,0,0|2,0,0]=3 1257 B11R0.2 CC(=CC(=O)CCCCCO)Cl 1458a_200042562850_100000746330 [0,1,0,0,0,0|2,0,0]=3 1258 B11R0.2 CC(=CC(=O)CCCCCO)I 1458a_100025716642_100000746330 [0,1,0,0,0,0|2,0,0]=3 1259 B11R0.2 CC(=CC(=O)CCOCCO)C 1458a_100000211388_100011215305 [0,1,0,0,0,0|3,0,0]=4 1260 B11R0.2 CC(=CC(=O)CCOCCO)Cl 1458a_200042562850_100011215305 [0,1,0,0,0,0|3,0,0]=4 1261 B11R0.2 CC(=CC(=O)CCOCCO)I 1458a_100025716642_100011215305 [0,1,0,0,0,0|3,0,0]=4 1262 B11R0.2 CC(=CC(=O)NCCCCO)C 240690a_100000750430_100000211388 [0,1,0,0,0,0|3,0,0]=4 1263 B11R0.2 CC(=CC(=O)NCCCCO)Cl 240690a_100000750430_200042562850 [0,1,0,0,0,0|3,0,0]=4 1264 B11R0.2 CC(=O)NC(=O)CSCCCF 62a_100011934791_100000183797 [0,1,0,0,0,0|3,0,0]=4 1265 B11R0.2 CC(=O)NC(=O)CSCCCO 62a_100011215043_100000183797 [0,1,0,0,0,0|3,0,0]=4 1266 B11R0.2 CC/C=C\CCC(=O)C=C(C)C 1458a_100000211388_100015370543 [0,1,0,0,0,0|1,0,2]=4 1267 B11R0.2 CC/C=C\CCC(=O)C=C(C)Cl 1458a_200042562850_100015370543 [0,1,0,0,0,0|1,0,2]=4 1268 B11R0.2 CC/C=C\CCC(=O)C=C(C)I 1458a_100025716642_100015370543 [0,1,0,0,0,0|1,0,2]=4 1269 B11R0.2 CCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210757 [0,1,0,0,0,0|1,0,0]=2 1270 B11R0.2 CCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210757 [0,1,0,0,0,0|1,0,0]=2 1271 B11R0.2 CCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210757 [0,1,0,0,0,0|1,0,0]=2 1272 B11R0.2 CCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210757 [0,1,0,0,0,0|2,0,0]=3 1273 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100102632555_100000187820 [0,1,0,0,0,0|1,0,1]=3 1274 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210757 [0,1,0,0,0,0|1,0,1]=3 1275 B11R0.2 CCCCCCC(=O)CC(=O)[O-] 1458a_100102632555_100020667443 [0,1,0,0,0,0|1,0,1]=3 1276 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100000210554_100000210757 [0,1,0,0,0,0|1,0,2]=4 1277 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100102632555_100000210624 [0,1,0,0,0,0|1,0,2]=4 1278 B11R0.2 CCCCCCC(=O)CC(C)O 1458a_100102632555_100011218427 [0,1,0,0,0,0|0,0,3]=4 1279 B11R0.2 CCCCCCC(=O)CN(C)C 1458a_100000750896_100000210757 [0,1,0,0,0,0|2,0,1]=4 1280 B11R0.2 CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210757 [0,1,0,0,0,0|0,0,3]=4 1281 B11R0.2 CCCCCCC(=O)C[N+](=O)[O-] 1458a_100102632555_100000761209 [0,1,0,0,0,0|2,0,1]=4 1282 B11R0.2 CCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210757 [0,1,0,0,0,0|2,0,1]=4 1283 B11R0.2 CCCCCCC(=O)NC(C)C 11a_100138425928_100102632555 [0,1,0,0,0,0|2,0,1]=4 1284 B11R0.2 CCCCCCC(=O)NC(C)C 1626a_100138425928_100102632555 [0,1,0,0,0,0|2,0,1]=4 1285 B11R0.2 CCCCCCC(=O)NC(C)C 240690a_100138425928_100102632555 [0,1,0,0,0,0|2,0,1]=4 1286 B11R0.2 CCCCCCC(=O)NC(C)C 527a_100138425928_100102632555 [0,1,0,0,0,0|2,0,1]=4 1287 B11R0.2 CCCCCCC(C)NC(=O)C 11a_100000210919_100015343762 [0,1,0,0,0,0|1,0,1]=3 1288 B11R0.2 CCCCCCC(C)NC(=O)C 1626a_100000210919_100015343762 [0,1,0,0,0,0|1,0,1]=3 1289 B11R0.2 CCCCCCC(C)NC(=O)C 240690a_100000210919_100015343762 [0,1,0,0,0,0|1,0,1]=3 1290 B11R0.2 CCCCCCC(C)NC(=O)C 527a_100000210919_100103153847 [0,1,0,0,0,0|1,0,1]=3 1291 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_100000739694_100000210314 [0,1,0,0,0,0|2,0,1]=4 1292 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_106256046315_100000747473 [0,1,0,0,0,0|2,0,1]=4 1293 B11R0.2 CCCCCCN(C)CC(=O)N 269982a_106256046315_100000187820 [0,1,0,0,0,0|2,0,1]=4 1294 B11R0.2 CCCCCCN(C)CC(=O)O 269956a_100000746989_100000210757 [0,1,0,0,0,0|2,0,1]=4 1295 B11R0.2 CCCCCCN(C)CC(=O)[O-] 269982a_106256046315_100020667443 [0,1,0,0,0,0|2,0,1]=4 1296 B11R0.2 CCCCCNC(=O)C=C(C)C 11a_100000209983_100000211388 [0,1,0,0,0,0|2,0,0]=3 1297 B11R0.2 CCCCCNC(=O)C=C(C)C 1626a_100000209983_100000211388 [0,1,0,0,0,0|2,0,0]=3 1298 B11R0.2 CCCCCNC(=O)C=C(C)C 240690a_100000209983_100000211388 [0,1,0,0,0,0|2,0,0]=3 1299 B11R0.2 CCCCCNC(=O)C=C(C)Cl 11a_100000209983_200042562850 [0,1,0,0,0,0|2,0,0]=3 1300 B11R0.2 CCCCCNC(=O)C=C(C)Cl 1626a_100000209983_200042562850 [0,1,0,0,0,0|2,0,0]=3 1301 B11R0.2 CCCCCNC(=O)C=C(C)Cl 240690a_100000209983_200042562850 [0,1,0,0,0,0|2,0,0]=3 1302 B11R0.2 CCCCCNC(=O)C=C(C)I 11a_100000209983_100025716642 [0,1,0,0,0,0|2,0,0]=3 1303 B11R0.2 CCCCCNC(=O)C=C(C)I 1626a_100000209983_100025716642 [0,1,0,0,0,0|2,0,0]=3 1304 B11R0.2 CCCCCNC(=O)C=C(Cl)Cl 1626a_100000209983_100000137448 [0,1,0,0,0,0|3,0,0]=4 1305 B11R0.2 CCCCCNC(=O)C=C(Cl)Cl 240690a_100000209983_100000137448 [0,1,0,0,0,0|3,0,0]=4 1306 B11R0.2 CCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230301 [0,1,0,0,0,0|1,0,1]=3 1307 B11R0.2 CCCCCNC(=O)CC(=O)N 240690a_100000209983_100134613110 [0,1,0,0,0,0|2,0,1]=4 1308 B11R0.2 CCCCCNC(=O)CC(=O)N 527a_100000209983_100134613110 [0,1,0,0,0,0|2,0,1]=4 1309 B11R0.2 CCCCCOC(C)C=C(C)C 34a_100000717055_100000718602 [0,1,0,0,0,0|2,0,1]=4 1310 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100000210326_100009818208 [0,1,0,0,0,0|2,0,1]=4 1311 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100009818208_100000210326 [0,1,0,0,0,0|2,0,1]=4 1312 B11R0.2 CCCCNCC(=O)NC(=O)C 7a_106832991798_100000183797 [0,1,0,0,0,0|2,0,0]=3 1313 B11R0.2 CCCCNCC(=O)NC(=O)N 2230a_100000102301_100000182717 [0,1,0,0,0,0|3,0,0]=4 1314 B11R0.2 CCCCNCC(=O)NC(=O)N 7a_106832991798_100000182717 [0,1,0,0,0,0|3,0,0]=4 1315 B11R0.2 CCCCNNC(=O)C=C(C)C 22a_100025702795_100000211388 [0,1,0,0,0,0|3,0,0]=4 1316 B11R0.2 CCCCNNC(=O)C=C(C)Cl 22a_100025702795_200042562850 [0,1,0,0,0,0|3,0,0]=4 1317 B11R0.2 CCCCOCC(=O)C=C(C)C 1458a_100000211388_100011995733 [0,1,0,0,0,0|2,0,0]=3 1318 B11R0.2 CCCCOCC(=O)C=C(C)Cl 1458a_200042562850_100011995733 [0,1,0,0,0,0|2,0,0]=3 1319 B11R0.2 CCCCOCC(=O)C=C(C)I 1458a_100025716642_100011995733 [0,1,0,0,0,0|2,0,0]=3 1320 B11R0.2 CCCCOCC(=O)C=C(Cl)Cl 1458a_100000137448_100011995733 [0,1,0,0,0,0|3,0,0]=4 1321 B11R0.2 CCCCOCC(=O)CC(=O)N 1458a_100000757543_100000187820 [0,1,0,0,0,0|2,0,1]=4 1322 B11R0.2 CCCCOCC(=O)CC(=O)N 1458a_100134613110_100011995733 [0,1,0,0,0,0|2,0,1]=4 1323 B11R0.2 CCCCOCC(=O)CC(=O)[O-] 1458a_100000757543_100020667443 [0,1,0,0,0,0|2,0,1]=4 1324 B11R0.2 CCCCOCC(=O)NC(=O)C 7a_100000210227_100000183797 [0,1,0,0,0,0|2,0,0]=3 1325 B11R0.2 CCCCOCC(=O)NC(=O)N 7a_100000210227_100000182717 [0,1,0,0,0,0|3,0,0]=4 1326 B11R0.2 CCCCSCC(=O)CC(=O)N 1458a_100000191162_100000187820 [0,1,0,0,0,0|2,0,1]=4 1327 B11R0.2 CCCCSCC(=O)CC(=O)[O-] 1458a_100000191162_100020667443 [0,1,0,0,0,0|2,0,1]=4 1328 B11R0.2 CCCCSCC(=O)NC(=O)C 62a_100000210211_100000183797 [0,1,0,0,0,0|2,0,0]=3 1329 B11R0.2 CCCCSCC(=O)NC(=O)N 62a_100000210211_100000182717 [0,1,0,0,0,0|3,0,0]=4 1330 B11R0.2 CCCOCCC(=O)C=C(C)C 1458a_100000211388_100011215938 [0,1,0,0,0,0|2,0,0]=3 1331 B11R0.2 CCCOCCC(=O)C=C(C)Cl 1458a_200042562850_100011215938 [0,1,0,0,0,0|2,0,0]=3 1332 B11R0.2 CCCOCCC(=O)C=C(C)I 1458a_100025716642_100011215938 [0,1,0,0,0,0|2,0,0]=3 1333 B11R0.2 CCCOCCC(=O)C=C(Cl)Cl 1458a_100000137448_100011215938 [0,1,0,0,0,0|3,0,0]=4 1334 B11R0.2 CCCOCCC(=O)CC(=O)N 1458a_100134613110_100011215938 [0,1,0,0,0,0|2,0,1]=4 1335 B11R0.2 CCCSCCC(=O)NC(=O)N 62a_100000210303_100000237605 [0,1,0,0,0,0|3,0,0]=4 1336 B11R0.2 CCOCCCC(=O)C=C(C)C 1458a_100000211388_100012232248 [0,1,0,0,0,0|2,0,0]=3 1337 B11R0.2 CCOCCCC(=O)C=C(C)Cl 1458a_200042562850_100012232248 [0,1,0,0,0,0|2,0,0]=3 1338 B11R0.2 CCOCCCC(=O)C=C(C)I 1458a_100025716642_100012232248 [0,1,0,0,0,0|2,0,0]=3 1339 B11R0.2 CCOCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100012232248 [0,1,0,0,0,0|3,0,0]=4 1340 B11R0.2 CCOCCCC(=O)CC(=O)N 1458a_100134613110_100012232248 [0,1,0,0,0,0|2,0,1]=4 1341 B11R0.2 CCOCCNC(=O)C=C(C)C 11a_100011200944_100000211388 [0,1,0,0,0,0|3,0,0]=4 1342 B11R0.2 CCOCCNC(=O)C=C(C)C 1626a_102516460346_100000211388 [0,1,0,0,0,0|3,0,0]=4 1343 B11R0.2 CCOCCNC(=O)C=C(C)C 240690a_100011200944_100000211388 [0,1,0,0,0,0|3,0,0]=4 1344 B11R0.2 CCOCCNC(=O)C=C(C)Cl 11a_100011200944_200042562850 [0,1,0,0,0,0|3,0,0]=4 1345 B11R0.2 CCOCCNC(=O)C=C(C)Cl 1626a_102516460346_200042562850 [0,1,0,0,0,0|3,0,0]=4 1346 B11R0.2 CCOCCNC(=O)C=C(C)Cl 240690a_100011200944_200042562850 [0,1,0,0,0,0|3,0,0]=4 1347 B11R0.2 CCOCCNC(=O)C=C(C)I 11a_100011200944_100025716642 [0,1,0,0,0,0|3,0,0]=4 1348 B11R0.2 CCOCCNC(=O)C=C(C)I 1626a_102516460346_100025716642 [0,1,0,0,0,0|3,0,0]=4 1349 B11R0.2 CCOCCOC(=O)CC(=O)C 1458a_100000070787_200000101388 [0,1,0,0,0,0|2,0,1]=4 1350 B11R0.2 CCOCCOC(=O)CC(=O)C 34a_100121572206_100000102702 [0,1,0,0,0,0|2,0,1]=4 1351 B11R0.2 CCOCSCC(=O)NC(=O)C 62a_100000739092_100000183797 [0,1,0,0,0,0|3,0,0]=4 1352 B11R0.2 CCSCCNC(=O)C=C(C)C 11a_100000106463_100000211388 [0,1,0,0,0,0|3,0,0]=4 1353 B11R0.2 CCSCCNC(=O)C=C(C)C 1626a_100000106463_100000211388 [0,1,0,0,0,0|3,0,0]=4 1354 B11R0.2 CCSCCNC(=O)C=C(C)C 240690a_100000106463_100000211388 [0,1,0,0,0,0|3,0,0]=4 1355 B11R0.2 CCSCCNC(=O)C=C(C)Cl 11a_100000106463_200042562850 [0,1,0,0,0,0|3,0,0]=4 1356 B11R0.2 CCSCCNC(=O)C=C(C)Cl 1626a_100000106463_200042562850 [0,1,0,0,0,0|3,0,0]=4 1357 B11R0.2 CCSCCNC(=O)C=C(C)Cl 240690a_100000106463_200042562850 [0,1,0,0,0,0|3,0,0]=4 1358 B11R0.2 CCSCCNC(=O)C=C(C)I 11a_100000106463_100025716642 [0,1,0,0,0,0|3,0,0]=4 1359 B11R0.2 CCSCCNC(=O)C=C(C)I 1626a_100000106463_100025716642 [0,1,0,0,0,0|3,0,0]=4 1360 B11R0.2 CCSCCOC(=O)CC(=O)C 62a_100000102702_100000210202 [0,1,0,0,0,0|2,0,1]=4 1361 B11R0.2 CCSCCOC(=O)CC(=O)C 62a_100000210202_100000102702 [0,1,0,0,0,0|2,0,1]=4 1362 B11R0.2 COCCCCC(=O)C=C(C)C 1458a_100000211388_100000755781 [0,1,0,0,0,0|2,0,0]=3 1363 B11R0.2 COCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000755781 [0,1,0,0,0,0|2,0,0]=3 1364 B11R0.2 COCCCCC(=O)C=C(C)I 1458a_100025716642_100000755781 [0,1,0,0,0,0|2,0,0]=3 1365 B11R0.2 COCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000755781 [0,1,0,0,0,0|3,0,0]=4 1366 B11R0.2 COCCCCC(=O)CC(=O)N 1458a_100134613110_100000755781 [0,1,0,0,0,0|2,0,1]=4 1367 B11R0.2 COCCCNC(=O)C=C(C)C 1626a_100150723488_100000211388 [0,1,0,0,0,0|3,0,0]=4 1368 B11R0.2 COCCCNC(=O)C=C(C)C 240690a_100150723488_100000211388 [0,1,0,0,0,0|3,0,0]=4 1369 B11R0.2 COCCCNC(=O)C=C(C)Cl 1626a_100150723488_200042562850 [0,1,0,0,0,0|3,0,0]=4 1370 B11R0.2 COCCCNC(=O)C=C(C)Cl 240690a_100150723488_200042562850 [0,1,0,0,0,0|3,0,0]=4 1371 B11R0.2 COCCCNC(=O)C=C(C)I 1626a_100150723488_100025716642 [0,1,0,0,0,0|3,0,0]=4 1372 B11R0.2 COCCCNC(=O)CC(=O)C 1458a_100000070787_100000183178 [0,1,0,0,0,0|2,0,1]=4 1373 B11R0.2 COCCSCC(=O)NC(=O)C 62a_100000233755_100000183797 [0,1,0,0,0,0|3,0,0]=4 1374 B11R0.2 CSCCCNC(=O)C=C(C)C 11a_100000749238_100000211388 [0,1,0,0,0,0|3,0,0]=4 1375 B11R0.2 CSCCCNC(=O)C=C(C)C 1626a_100000749238_100000211388 [0,1,0,0,0,0|3,0,0]=4 1376 B11R0.2 CSCCCNC(=O)C=C(C)C 240690a_100000749238_100000211388 [0,1,0,0,0,0|3,0,0]=4 1377 B11R0.2 CSCCCNC(=O)C=C(C)Cl 11a_100000749238_200042562850 [0,1,0,0,0,0|3,0,0]=4 1378 B11R0.2 CSCCCNC(=O)C=C(C)Cl 1626a_100000749238_200042562850 [0,1,0,0,0,0|3,0,0]=4 1379 B11R0.2 CSCCCNC(=O)C=C(C)Cl 240690a_100000749238_200042562850 [0,1,0,0,0,0|3,0,0]=4 1380 B11R0.2 CSCCCNC(=O)C=C(C)I 11a_100000749238_100025716642 [0,1,0,0,0,0|3,0,0]=4 1381 B11R0.2 CSCCCNC(=O)C=C(C)I 1626a_100000749238_100025716642 [0,1,0,0,0,0|3,0,0]=4 1382 B11R0.2 CSCCOCC(=O)NC(=O)C 7a_100000230434_100000183797 [0,1,0,0,0,0|3,0,0]=4 1383 B11R0.2 CSCCSCC(=O)NC(=O)C 62a_100000212216_100000183797 [0,1,0,0,0,0|3,0,0]=4 1384 B11R0.2 NC(=O)CC(=O)CCCCCF 1458a_100134613110_100000729378 [0,1,0,0,0,0|2,0,1]=4 1385 B11R0.2 NC(=O)CC(=O)CCCCCO 1458a_100102619762_100000187820 [0,1,0,0,0,0|2,0,1]=4 1386 B11R0.2 NC(=O)CC(=O)CCCCCO 1458a_100134613110_100000746330 [0,1,0,0,0,0|2,0,1]=4 1387 B11R0.2 O=C(C=C(Cl)Cl)CCCCCF 1458a_100000137448_100000729378 [0,1,0,0,0,0|3,0,0]=4 1388 B11R0.2 O=C(C=C(Cl)Cl)CCCCCO 1458a_100000137448_100000746330 [0,1,0,0,0,0|3,0,0]=4 1389 B11R0.2 O=C([O-])CC(=O)CCCCCO 1458a_100102619762_100020667443 [0,1,0,0,0,0|2,0,1]=4 1390 B11R0.30 C=C(C)COCCCCC(C)C 34a_100000210245_100011216152 [0,1,0,0,0,0|2,0,1]=4 1391 B11R0.30 C=C(C)COCCCCC(C)C 34a_100011214890_100000748629 [0,1,0,0,0,0|2,0,1]=4 1392 B11R0.30 C=C(C)COCCCCC(C)C 7a_100011214890_100000748629 [0,1,0,0,0,0|2,0,1]=4 1393 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100000748629_100011216152 [0,1,0,0,0,0|2,0,1]=4 1394 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100011216152_100000211660 [0,1,0,0,0,0|2,0,1]=4 1395 B11R0.30 CC(=CCCNCCC(C)O)C 2230a_200000755665_100011217483 [0,1,0,0,0,0|2,0,1]=4 1396 B11R0.30 CC(=CCCOCCC(C)Br)C 34a_100009893172_100011217483 [0,1,0,0,0,0|2,0,1]=4 1397 B11R0.30 CC(=CCCOCCC(C)C)C 34a_100000210254_100011217483 [0,1,0,0,0,0|2,0,1]=4 1398 B11R0.30 CC(=CCCOCCC(C)C)C 7a_100000210254_100011217483 [0,1,0,0,0,0|2,0,1]=4 1399 B11R0.30 CC(=CCCOCC[C@@H](C)N)C 34a_100000706166_100011217483 [0,1,0,0,0,0|2,0,1]=4 1400 B11R0.30 CC(=CCCSCCC(C)C)C 62a_100000210312_100011217483 [0,1,0,0,0,0|2,0,1]=4 1401 B11R0.30 CC(=CCCSCCC(C)C)C 62a_100011217483_100000210312 [0,1,0,0,0,0|2,0,1]=4 1402 B11R0.30 CC(=CCCSCCC(C)O)C 62a_100011217483_100012276601 [0,1,0,0,0,0|2,0,1]=4 1403 B11R0.30 CC(=CCCSCCC(C)O)C 62a_100012276601_100011217483 [0,1,0,0,0,0|2,0,1]=4 1404 B11R0.30 CC(=CCNCCCC(C)C)C 2230a_200000737386_100000761012 [0,1,0,0,0,0|2,0,1]=4 1405 B11R0.30 CC(=CCNCCCC(C)C)C 34a_100000718196_100011214892 [0,1,0,0,0,0|2,0,1]=4 1406 B11R0.30 CC(=CCNCCCC(C)C)C 34a_200000737386_100000761012 [0,1,0,0,0,0|2,0,1]=4 1407 B11R0.30 CC(=CCNCCCC(C)O)C 34a_100000718196_200000718107 [0,1,0,0,0,0|2,0,1]=4 1408 B11R0.30 CC(=CCOCCCC(C)C)C 34a_100000210774_100000761012 [0,1,0,0,0,0|2,0,1]=4 1409 B11R0.30 CC(=CCOCCCC(C)C)C 34a_100000753907_100011214892 [0,1,0,0,0,0|2,0,1]=4 1410 B11R0.30 CC(=CCOCCCC(C)C)C 7a_100000210774_100000761012 [0,1,0,0,0,0|2,0,1]=4 1411 B11R0.30 CC(=CCOCCCC(C)O)C 34a_100000753907_200000718107 [0,1,0,0,0,0|2,0,1]=4 1412 B11R0.30 CC(=CCSCCCC(C)C)C 62a_100000761012_100011214892 [0,1,0,0,0,0|2,0,1]=4 1413 B11R0.30 CC(=CCSCCCC(C)C)C 62a_100011214892_100000761012 [0,1,0,0,0,0|2,0,1]=4 1414 B11R0.30 CC(=CCSCCCC(C)O)C 62a_100000761012_200000718107 [0,1,0,0,0,0|2,0,1]=4 1415 B11R0.30 CC(=CCSCCCC(C)O)C 62a_200000718107_100000761012 [0,1,0,0,0,0|2,0,1]=4 1416 B11R0.30 CC(=O)CCCC/C=C/C(C)C 1458a_200016995844_200000210301 [0,1,0,0,0,0|1,0,2]=4 1417 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [0,1,0,0,0,0|0,0,2]=3 1418 B11R0.30 CC(=O)CCCCCNC(=O)C 1458a_100000183861_200000210301 [0,1,0,0,0,0|1,0,2]=4 1419 B11R0.30 CC(=O)CCCCCOC(=O)C 1458a_100000070787_100000033007 [0,1,0,0,0,0|1,0,2]=4 1420 B11R0.30 CC(=O)CCCCNCC(C)C 34a_100000210953_100009817362 [0,1,0,0,0,0|1,0,2]=4 1421 B11R0.30 CC(=O)CCCCNCC(C)O 34a_100000210904_100009817362 [0,1,0,0,0,0|1,0,2]=4 1422 B11R0.30 CC(=O)CCCCOCC(=O)C 34a_100000211253_100009817362 [0,1,0,0,0,0|1,0,2]=4 1423 B11R0.30 CC(=O)CCCCOCC(C)Br 34a_100012180447_100009817362 [0,1,0,0,0,0|1,0,2]=4 1424 B11R0.30 CC(=O)CCCCOCC(C)C 34a_100000210257_100009817362 [0,1,0,0,0,0|1,0,2]=4 1425 B11R0.30 CC(=O)CCCCOCC(C)F 34a_100015925927_100009817362 [0,1,0,0,0,0|1,0,2]=4 1426 B11R0.30 CC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100009817362 [0,1,0,0,0,0|1,0,2]=4 1427 B11R0.30 CC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100009817362 [0,1,0,0,0,0|1,0,2]=4 1428 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000210624_100000735457 [0,1,0,0,0,0|1,0,2]=4 1429 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000735457_100000210760 [0,1,0,0,0,0|1,0,2]=4 1430 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100000735457_100011218427 [0,1,0,0,0,0|1,0,2]=4 1431 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100011218427_100000735457 [0,1,0,0,0,0|1,0,2]=4 1432 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100000735457_100009817552 [0,1,0,0,0,0|1,0,2]=4 1433 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000735457 [0,1,0,0,0,0|1,0,2]=4 1434 B11R0.30 CC(=O)CCCOCCC(C)Br 34a_100009893172_100000685027 [0,1,0,0,0,0|1,0,2]=4 1435 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000210254_100000685027 [0,1,0,0,0,0|1,0,2]=4 1436 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000759063_100000210312 [0,1,0,0,0,0|1,0,2]=4 1437 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000210254_100011215641 [0,1,0,0,0,0|1,0,2]=4 1438 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000759063_100000210626 [0,1,0,0,0,0|1,0,2]=4 1439 B11R0.30 CC(=O)CCCOCCC(C)O 34a_100000759063_100012276601 [0,1,0,0,0,0|1,0,2]=4 1440 B11R0.30 CC(=O)CCCOCCC(C)O 7a_100000759063_100012276601 [0,1,0,0,0,0|1,0,2]=4 1441 B11R0.30 CC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000685027 [0,1,0,0,0,0|1,0,2]=4 1442 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100000210312_100011215641 [0,1,0,0,0,0|1,0,2]=4 1443 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100011215641_100000210312 [0,1,0,0,0,0|1,0,2]=4 1444 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100011215641_100012276601 [0,1,0,0,0,0|1,0,2]=4 1445 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100012276601_100011215641 [0,1,0,0,0,0|1,0,2]=4 1446 B11R0.30 CC(=O)CCOCCCC(C)C 34a_100000759926_100011214892 [0,1,0,0,0,0|1,0,2]=4 1447 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000210774_100000053229 [0,1,0,0,0,0|1,0,2]=4 1448 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000759926_100011214892 [0,1,0,0,0,0|1,0,2]=4 1449 B11R0.30 CC(=O)CCOCCCC(C)O 34a_100000759926_200000718107 [0,1,0,0,0,0|1,0,2]=4 1450 B11R0.30 CC(=O)CCOCCCC(C)O 7a_100000759926_200000718107 [0,1,0,0,0,0|1,0,2]=4 1451 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100000053229_100011214892 [0,1,0,0,0,0|1,0,2]=4 1452 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100011214892_100000053229 [0,1,0,0,0,0|1,0,2]=4 1453 B11R0.30 CC(=O)CCSCCCC(C)O 62a_100000053229_200000718107 [0,1,0,0,0,0|1,0,2]=4 1454 B11R0.30 CC(=O)CCSCCCC(C)O 62a_200000718107_100000053229 [0,1,0,0,0,0|1,0,2]=4 1455 B11R0.30 CC(=O)COCCCCC(C)C 34a_100000211253_100011216152 [0,1,0,0,0,0|1,0,1]=3 1456 B11R0.30 CC(=O)NCCCCCC(=O)[13CH3] 1458a_100000183861_200025704644 [0,1,0,0,0,0|1,0,2]=4 1457 B11R0.30 CC(=O)NCCCCCC(C)C 1626a_100011290863_100015343762 [0,1,0,0,0,0|1,0,1]=3 1458 B11R0.30 CC(=O)NCCCCCC(C)C 240690a_100011290863_100015343762 [0,1,0,0,0,0|1,0,1]=3 1459 B11R0.30 CC(=O)NCCCCCC(C)C 527a_100011290863_100103153847 [0,1,0,0,0,0|1,0,1]=3 1460 B11R0.30 CC(=O)NCCCCCN(C)C 240690a_100020635752_100015343762 [0,1,0,0,0,0|2,0,1]=4 1461 B11R0.30 CC(=O)NCCCCNC(C)C 2230a_200011368371_100000210206 [0,1,0,0,0,0|2,0,1]=4 1462 B11R0.30 CC(=O)NCCCCNC(C)C 34a_200011368371_100000210206 [0,1,0,0,0,0|2,0,1]=4 1463 B11R0.30 CC(=O)NCCCNCC(C)C 270004a_100000736810_100000210432 [0,1,0,0,0,0|2,0,1]=4 1464 B11R0.30 CC(=O)NCCCNCC(C)C 34a_100000736810_100000210624 [0,1,0,0,0,0|2,0,1]=4 1465 B11R0.30 CC(=O)NCCCNCC(C)O 34a_100000736810_100011218427 [0,1,0,0,0,0|2,0,1]=4 1466 B11R0.30 CC(=O)NCCCNC[C@@H](C)O 34a_100000736810_100009817552 [0,1,0,0,0,0|2,0,1]=4 1467 B11R0.30 CC(=O)NCCCOCC(C)C 11a_100000205972_100015343762 [0,1,0,0,0,0|2,0,1]=4 1468 B11R0.30 CC(=O)NCCCOCC(C)C 1626a_100000205972_100015343762 [0,1,0,0,0,0|2,0,1]=4 1469 B11R0.30 CC(=O)NCCCOCC(C)C 240690a_100000205972_100015343762 [0,1,0,0,0,0|2,0,1]=4 1470 B11R0.30 CC(=O)NCCCOCC(C)C 34a_100000752032_100000210624 [0,1,0,0,0,0|2,0,1]=4 1471 B11R0.30 CC(=O)NCCCOCC(C)C 527a_100000205972_100103153847 [0,1,0,0,0,0|2,0,1]=4 1472 B11R0.30 CC(=O)NCCCOCC(C)O 34a_100000752032_100011218427 [0,1,0,0,0,0|2,0,1]=4 1473 B11R0.30 CC(=O)NCCCOC[C@@H](C)O 34a_100000752032_100009817552 [0,1,0,0,0,0|2,0,1]=4 1474 B11R0.30 CC(=O)NCCNCCC(C)C 2230a_100000209853_100000210312 [0,1,0,0,0,0|2,0,1]=4 1475 B11R0.30 CC(=O)NCCNCCC(C)C 269862a_100000209853_100000185833 [0,1,0,0,0,0|2,0,1]=4 1476 B11R0.30 CC(=O)NCCNCCC(C)O 2230a_100000209853_100012276601 [0,1,0,0,0,0|2,0,1]=4 1477 B11R0.30 CC(=O)NCCNCCC(C)O 2230a_200000755665_100000189650 [0,1,0,0,0,0|2,0,1]=4 1478 B11R0.30 CC(=O)NCCOCCC(C)C 34a_100000158858_100000210312 [0,1,0,0,0,0|2,0,1]=4 1479 B11R0.30 CC(=O)NCCOCCC(C)C 7a_100000210254_100000189650 [0,1,0,0,0,0|2,0,1]=4 1480 B11R0.30 CC(=O)NCCOCCC(C)O 34a_100000158858_100012276601 [0,1,0,0,0,0|2,0,1]=4 1481 B11R0.30 CC(=O)NCCSCCC(C)C 62a_100000189650_100000210312 [0,1,0,0,0,0|2,0,1]=4 1482 B11R0.30 CC(=O)NCCSCCC(C)C 62a_100000210312_100000189650 [0,1,0,0,0,0|2,0,1]=4 1483 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100000189650_100012276601 [0,1,0,0,0,0|2,0,1]=4 1484 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100012276601_100000189650 [0,1,0,0,0,0|2,0,1]=4 1485 B11R0.30 CC(=O)OCCCCCN(C)C 2230a_100102631434_100009813381 [0,1,0,0,0,0|2,0,1]=4 1486 B11R0.30 CC(=O)OCCCCCN(C)C 269982a_100102631434_100000033007 [0,1,0,0,0,0|2,0,1]=4 1487 B11R0.30 CC(=O)OCCCCNC(C)C 34a_100138425928_100000033659 [0,1,0,0,0,0|2,0,1]=4 1488 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000073216_100000210206 [0,1,0,0,0,0|2,0,1]=4 1489 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000212225_100000033659 [0,1,0,0,0,0|2,0,1]=4 1490 B11R0.30 CC(=O)OCCCCOC(C)C 7a_100000073216_100000210206 [0,1,0,0,0,0|2,0,1]=4 1491 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000033659_100000210206 [0,1,0,0,0,0|2,0,1]=4 1492 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000210206_100000033659 [0,1,0,0,0,0|2,0,1]=4 1493 B11R0.30 CC(=O)OCCCNCC(C)C 34a_100000210953_100000042594 [0,1,0,0,0,0|2,0,1]=4 1494 B11R0.30 CC(=O)OCCCNCC(C)O 34a_100000210904_100000042594 [0,1,0,0,0,0|2,0,1]=4 1495 B11R0.30 CC(=O)OCCCOCC(C)Br 34a_100012180447_100000042594 [0,1,0,0,0,0|2,0,1]=4 1496 B11R0.30 CC(=O)OCCCOCC(C)C 34a_100000210257_100000042594 [0,1,0,0,0,0|2,0,1]=4 1497 B11R0.30 CC(=O)OCCCOCC(C)F 34a_100015925927_100000042594 [0,1,0,0,0,0|2,0,1]=4 1498 B11R0.30 CC(=O)OCCCOC[C@@H](C)Cl 34a_100016084084_100000042594 [0,1,0,0,0,0|2,0,1]=4 1499 B11R0.30 CC(=O)OCCCOC[C@@H](C)N 34a_100000737577_100000042594 [0,1,0,0,0,0|2,0,1]=4 1500 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000042594_100000210760 [0,1,0,0,0,0|2,0,1]=4 1501 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000210624_100000042594 [0,1,0,0,0,0|2,0,1]=4 1502 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100000042594_100011218427 [0,1,0,0,0,0|2,0,1]=4 1503 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100011218427_100000042594 [0,1,0,0,0,0|2,0,1]=4 1504 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100000042594_100009817552 [0,1,0,0,0,0|2,0,1]=4 1505 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100009817552_100000042594 [0,1,0,0,0,0|2,0,1]=4 1506 B11R0.30 CC(=O)OCCOCCC(C)Br 34a_100009893172_100009814007 [0,1,0,0,0,0|2,0,1]=4 1507 B11R0.30 CC(=O)OCCOCCC(C)C 34a_100000210254_100009814007 [0,1,0,0,0,0|2,0,1]=4 1508 B11R0.30 CC(=O)OCCOCCC(C)C 7a_100000210254_100009814007 [0,1,0,0,0,0|2,0,1]=4 1509 B11R0.30 CC(=O)OCCOCC[C@@H](C)N 34a_100000706166_100009814007 [0,1,0,0,0,0|2,0,1]=4 1510 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100000210312_100009814007 [0,1,0,0,0,0|2,0,1]=4 1511 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100009814007_100000210312 [0,1,0,0,0,0|2,0,1]=4 1512 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100009814007_100012276601 [0,1,0,0,0,0|2,0,1]=4 1513 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100012276601_100009814007 [0,1,0,0,0,0|2,0,1]=4 1514 B11R0.30 CC(=O)OCNCCCC(C)C 34a_200000737386_100009813279 [0,1,0,0,0,0|2,0,1]=4 1515 B11R0.30 CC(=O)OCOCCCC(C)C 34a_100000210774_100009813279 [0,1,0,0,0,0|2,0,1]=4 1516 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100000076356_100011214892 [0,1,0,0,0,0|2,0,1]=4 1517 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100011214892_100000076356 [0,1,0,0,0,0|2,0,1]=4 1518 B11R0.30 CC(=O)OCSCCCC(C)O 62a_100000076356_200000718107 [0,1,0,0,0,0|2,0,1]=4 1519 B11R0.30 CC(=O)OCSCCCC(C)O 62a_200000718107_100000076356 [0,1,0,0,0,0|2,0,1]=4 1520 B11R0.30 CC(=O)SCCCCNC(C)C 2230a_100138425928_200010402107 [0,1,0,0,0,0|2,0,1]=4 1521 B11R0.30 CC(=O)SCCCCNC(C)C 34a_100138425928_200010402107 [0,1,0,0,0,0|2,0,1]=4 1522 B11R0.30 CC(=O)SCCCCOC(C)C 34a_100000212225_200010402107 [0,1,0,0,0,0|2,0,1]=4 1523 B11R0.30 CC(=O)SCCCCSC(C)C 62a_100000210206_200010402107 [0,1,0,0,0,0|2,0,1]=4 1524 B11R0.30 CC(=O)SCCCCSC(C)C 62a_200010402107_100000210206 [0,1,0,0,0,0|2,0,1]=4 1525 B11R0.30 CC(=O)SCCCNCC(C)C 2230a_100000210953_100000038929 [0,1,0,0,0,0|2,0,1]=4 1526 B11R0.30 CC(=O)SCCCNCC(C)C 34a_100000210953_100000038929 [0,1,0,0,0,0|2,0,1]=4 1527 B11R0.30 CC(=O)SCCCNCC(C)O 2230a_100000210904_100000038929 [0,1,0,0,0,0|2,0,1]=4 1528 B11R0.30 CC(=O)SCCCNCC(C)O 34a_100000210904_100000038929 [0,1,0,0,0,0|2,0,1]=4 1529 B11R0.30 CC(=O)SCCCOCC(C)Br 34a_100012180447_100000038929 [0,1,0,0,0,0|2,0,1]=4 1530 B11R0.30 CC(=O)SCCCOCC(C)C 34a_100000210257_100000038929 [0,1,0,0,0,0|2,0,1]=4 1531 B11R0.30 CC(=O)SCCCOCC(C)F 34a_100015925927_100000038929 [0,1,0,0,0,0|2,0,1]=4 1532 B11R0.30 CC(=O)SCCCOC[C@@H](C)Cl 34a_100016084084_100000038929 [0,1,0,0,0,0|2,0,1]=4 1533 B11R0.30 CC(=O)SCCCOC[C@@H](C)N 34a_100000737577_100000038929 [0,1,0,0,0,0|2,0,1]=4 1534 B11R0.30 CC(=O)SCCCSCC(C)C 62a_100000038929_100000210760 [0,1,0,0,0,0|2,0,1]=4 1535 B11R0.30 CC(=O)SCCCSCC(C)C 62a_100000210624_100000038929 [0,1,0,0,0,0|2,0,1]=4 1536 B11R0.30 CC(=O)SCCCSCC(C)O 62a_100000038929_100011218427 [0,1,0,0,0,0|2,0,1]=4 1537 B11R0.30 CC(=O)SCCCSCC(C)O 62a_100011218427_100000038929 [0,1,0,0,0,0|2,0,1]=4 1538 B11R0.30 CC(=O)SCCCSC[C@@H](C)O 62a_100000038929_100009817552 [0,1,0,0,0,0|2,0,1]=4 1539 B11R0.30 CC(=O)SCCCSC[C@@H](C)O 62a_100009817552_100000038929 [0,1,0,0,0,0|2,0,1]=4 1540 B11R0.30 CC(=O)SCCNCCC(C)C 269862a_100020647217_100000185833 [0,1,0,0,0,0|2,0,1]=4 1541 B11R0.30 CC(C)/C=C/CCCCC(=O)[13CH3] 1458a_200016995844_200025704644 [0,1,0,0,0,0|1,0,2]=4 1542 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [0,1,0,0,0,0|0,0,2]=3 1543 B11R0.30 CC(C)CCCCNCC(=O)N 2230a_100000711301_100011216152 [0,1,0,0,0,0|2,0,1]=4 1544 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [0,1,0,0,0,0|2,0,1]=4 1545 B11R0.30 CC(C)CCCCOCC(=O)N 34a_100011214890_100000187820 [0,1,0,0,0,0|2,0,1]=4 1546 B11R0.30 CC(C)CCCCOCC(=O)N 7a_100011214890_100000187820 [0,1,0,0,0,0|2,0,1]=4 1547 B11R0.30 CC(C)CCCCOCC(=O)[O-] 34a_100011214890_100020667443 [0,1,0,0,0,0|2,0,1]=4 1548 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100000747473_100011216152 [0,1,0,0,0,0|2,0,1]=4 1549 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100011216152_100000747473 [0,1,0,0,0,0|2,0,1]=4 1550 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100011216152_100020667443 [0,1,0,0,0,0|2,0,1]=4 1551 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100020667443_100011216152 [0,1,0,0,0,0|2,0,1]=4 1552 B11R0.40 C#C/C(=C\COCCCCC)/C 34a_100016990848_100000718602 [0,1,0,0,0,0|2,0,1]=4 1553 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [0,1,0,0,0,0|0,0,3]=4 1554 B11R0.40 C#CCCNC/C=C/C(=O)OC 34a_100000755551_100000742655 [0,1,0,0,0,0|1,0,2]=4 1555 B11R0.40 C#CCCOC/C=C/C(=O)OC 34a_100011215631_100000742655 [0,1,0,0,0,0|1,0,2]=4 1556 B11R0.40 C#CCCSC/C=C/C(=O)OC 62a_100000688953_100000742655 [0,1,0,0,0,0|1,0,2]=4 1557 B11R0.40 C#CCCSC/C=C/C(=O)OC 62a_100000742655_100000688953 [0,1,0,0,0,0|1,0,2]=4 1558 B11R0.40 C/C=C(\C)/C=NNCCCCC 4a_100000694160_100020587592 [0,1,0,0,0,0|3,0,0]=4 1559 B11R0.40 C/C=C/COC/C=C/C(=O)OC 34a_100016270725_100000742655 [0,1,0,0,0,0|1,0,2]=4 1560 B11R0.40 C/C=C/CSC/C=C/C(=O)OC 62a_100000742655_100102629194 [0,1,0,0,0,0|1,0,2]=4 1561 B11R0.40 C/C=C/CSC/C=C/C(=O)OC 62a_100102629194_100000742655 [0,1,0,0,0,0|1,0,2]=4 1562 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [0,1,0,0,0,0|0,0,3]=4 1563 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [0,1,0,0,0,0|1,0,2]=4 1564 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [0,1,0,0,0,0|1,0,2]=4 1565 B11R0.40 C=CCCNC/C=C/C(=O)OC 2230a_100015191253_100000742655 [0,1,0,0,0,0|1,0,2]=4 1566 B11R0.40 C=CCCOC/C=C/C(=O)OC 34a_100011205117_100000742655 [0,1,0,0,0,0|1,0,2]=4 1567 B11R0.40 C=CCCSC/C=C/C(=O)OC 62a_100000742655_100000754431 [0,1,0,0,0,0|1,0,2]=4 1568 B11R0.40 C=CCCSC/C=C/C(=O)OC 62a_100000754431_100000742655 [0,1,0,0,0,0|1,0,2]=4 1569 B11R0.40 CC#CCNC/C=C/C(=O)OC 2230a_100000685387_100000742655 [0,1,0,0,0,0|1,0,2]=4 1570 B11R0.40 CC#CCNC/C=C/C(=O)OC 34a_100000685387_100000742655 [0,1,0,0,0,0|1,0,2]=4 1571 B11R0.40 CC#CCOC/C=C/C(=O)OC 34a_100000761923_100000742655 [0,1,0,0,0,0|1,0,2]=4 1572 B11R0.40 CC#CCSC/C=C/C(=O)OC 62a_100000742655_100000748600 [0,1,0,0,0,0|1,0,2]=4 1573 B11R0.40 CC#CCSC/C=C/C(=O)OC 62a_100000748600_100000742655 [0,1,0,0,0,0|1,0,2]=4 1574 B11R0.40 CC=CCSC/C=C/C(=O)OC 62a_100000070051_100000742655 [0,1,0,0,0,0|1,0,2]=4 1575 B11R0.40 CC=CCSC/C=C/C(=O)OC 62a_100000742655_100000070051 [0,1,0,0,0,0|1,0,2]=4 1576 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,1,0,0,0,0|1,0,2]=4 1577 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,1,0,0,0,0|1,0,2]=4 1578 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,1,0,0,0,0|1,0,2]=4 1579 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [0,1,0,0,0,0|2,0,1]=4 1580 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [0,1,0,0,0,0|2,0,1]=4 1581 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [0,1,0,0,0,0|2,0,1]=4 1582 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [0,1,0,0,0,0|2,0,1]=4 1583 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [0,1,0,0,0,0|2,0,1]=4 1584 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [0,1,0,0,0,0|2,0,1]=4 1585 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [0,1,0,0,0,0|2,0,1]=4 1586 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [0,1,0,0,0,0|2,0,1]=4 1587 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [0,1,0,0,0,0|2,0,1]=4 1588 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [0,1,0,0,0,0|2,0,1]=4 1589 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [0,1,0,0,0,0|2,0,1]=4 1590 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [0,1,0,0,0,0|2,0,1]=4 1591 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [0,1,0,0,0,0|2,0,1]=4 1592 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [0,1,0,0,0,0|2,0,1]=4 1593 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [0,1,0,0,0,0|2,0,1]=4 1594 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [0,1,0,0,0,0|2,0,1]=4 1595 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [0,1,0,0,0,0|2,0,1]=4 1596 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [0,1,0,0,0,0|2,0,1]=4 1597 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [0,1,0,0,0,0|2,0,1]=4 1598 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [0,1,0,0,0,0|0,0,2]=3 1599 B11R0.40 CCCCC/C=C/CC(=O)CF 1458a_100020675968_100015361967 [0,1,0,0,0,0|0,0,2]=3 1600 B11R0.40 CCCCC/C=C/CC(=O)NC 11a_106832991635_100020675968 [0,1,0,0,0,0|0,0,2]=3 1601 B11R0.40 CCCCC/C=C/CC(=O)NC 1626a_100102657272_100020675968 [0,1,0,0,0,0|0,0,2]=3 1602 B11R0.40 CCCCC/C=C/CC(=O)NC 240690a_100102657272_100020675968 [0,1,0,0,0,0|0,0,2]=3 1603 B11R0.40 CCCCCC#CCC(=O)CC 1458a_100000210414_100009816472 [0,1,0,0,0,0|0,0,3]=4 1604 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [0,1,0,0,0,0|0,0,3]=4 1605 B11R0.40 CCCCCC=NNC(=O)CC 4a_100000183195_100000737632 [0,1,0,0,0,0|2,0,1]=4 1606 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [0,1,0,0,0,0|0,0,0]=1 1607 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [0,1,0,0,0,0|0,0,0]=1 1608 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [0,1,0,0,0,0|0,0,0]=1 1609 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [0,1,0,0,0,0|0,0,0]=1 1610 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [0,1,0,0,0,0|0,0,0]=1 1611 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,1,0,0,0,0|0,0,2]=3 1612 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,1,0,0,0,0|0,0,2]=3 1613 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [0,1,0,0,0,0|0,0,2]=3 1614 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,1,0,0,0,0|0,0,2]=3 1615 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,1,0,0,0,0|0,0,2]=3 1616 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,1,0,0,0,0|0,0,2]=3 1617 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,1,0,0,0,0|0,0,2]=3 1618 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,1,0,0,0,0|0,0,2]=3 1619 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,1,0,0,0,0|1,0,1]=3 1620 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,1,0,0,0,0|1,0,1]=3 1621 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,1,0,0,0,0|1,0,1]=3 1622 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,1,0,0,0,0|1,0,1]=3 1623 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [0,1,0,0,0,0|1,0,1]=3 1624 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [0,1,0,0,0,0|1,0,1]=3 1625 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [0,1,0,0,0,0|1,0,1]=3 1626 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [0,1,0,0,0,0|1,0,1]=3 1627 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [0,1,0,0,0,0|1,0,1]=3 1628 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [0,1,0,0,0,0|1,0,1]=3 1629 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [0,1,0,0,0,0|1,0,1]=3 1630 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [0,1,0,0,0,0|1,0,1]=3 1631 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [0,1,0,0,0,0|1,0,1]=3 1632 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [0,1,0,0,0,0|1,0,1]=3 1633 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [0,1,0,0,0,0|1,0,1]=3 1634 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,1,0,0,0,0|1,0,1]=3 1635 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,1,0,0,0,0|1,0,1]=3 1636 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [0,1,0,0,0,0|1,0,1]=3 1637 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [0,1,0,0,0,0|1,0,1]=3 1638 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [0,1,0,0,0,0|1,0,1]=3 1639 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,1,0,0,0,0|1,0,1]=3 1640 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,1,0,0,0,0|1,0,1]=3 1641 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,1,0,0,0,0|1,0,1]=3 1642 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,1,0,0,0,0|1,0,1]=3 1643 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [0,1,0,0,0,0|1,0,1]=3 1644 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [0,1,0,0,0,0|1,0,1]=3 1645 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [0,1,0,0,0,0|1,0,1]=3 1646 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [0,1,0,0,0,0|1,0,1]=3 1647 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [0,1,0,0,0,0|1,0,2]=4 1648 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [0,1,0,0,0,0|1,0,2]=4 1649 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [0,1,0,0,0,0|1,0,2]=4 1650 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [0,1,0,0,0,0|1,0,2]=4 1651 B11R0.40 CCCCCNN=C/C(=C\N)/C 4a_100000694160_100050415766 [0,1,0,0,0,0|3,0,0]=4 1652 B11R0.40 CCCCCNN=CC(=O)OC 4a_100000694160_200011823558 [0,1,0,0,0,0|2,0,0]=3 1653 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [0,1,0,0,0,0|1,0,2]=4 1654 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [0,1,0,0,0,0|1,0,2]=4 1655 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [0,1,0,0,0,0|1,0,2]=4 1656 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [0,1,0,0,0,0|1,0,2]=4 1657 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [0,1,0,0,0,0|1,0,2]=4 1658 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [0,1,0,0,0,0|1,0,2]=4 1659 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [0,1,0,0,0,0|1,0,2]=4 1660 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [0,1,0,0,0,0|1,0,2]=4 1661 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [0,1,0,0,0,0|1,0,2]=4 1662 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [0,1,0,0,0,0|2,0,1]=4 1663 B11R0.40 CCCCNC/C=C/C(=O)OC 2230a_100000102301_100000742655 [0,1,0,0,0,0|1,0,0]=2 1664 B11R0.40 CCCCNC/C=C/C(=O)OC 7a_106832991798_100000742655 [0,1,0,0,0,0|1,0,0]=2 1665 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [0,1,0,0,0,0|1,0,2]=4 1666 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [0,1,0,0,0,0|1,0,2]=4 1667 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [0,1,0,0,0,0|1,0,2]=4 1668 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [0,1,0,0,0,0|1,0,2]=4 1669 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [0,1,0,0,0,0|1,0,2]=4 1670 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [0,1,0,0,0,0|1,0,2]=4 1671 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [0,1,0,0,0,0|2,0,1]=4 1672 B11R0.40 CCCCNCCNC(=O)NC 34a_100015205895_100000210210 [0,1,0,0,0,0|2,0,1]=4 1673 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [0,1,0,0,0,0|2,0,1]=4 1674 B11R0.40 CCCCNN=CCC(=O)OC 4a_100025702795_200011552997 [0,1,0,0,0,0|2,0,1]=4 1675 B11R0.40 CCCCOC/C=C/C(=O)OC 34a_100000210227_100000742655 [0,1,0,0,0,0|1,0,0]=2 1676 B11R0.40 CCCCOC/C=C/C(=O)OC 7a_100000210227_100000742655 [0,1,0,0,0,0|1,0,0]=2 1677 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [0,1,0,0,0,0|1,0,2]=4 1678 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [0,1,0,0,0,0|1,0,2]=4 1679 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [0,1,0,0,0,0|1,0,2]=4 1680 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [0,1,0,0,0,0|1,0,2]=4 1681 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [0,1,0,0,0,0|2,0,1]=4 1682 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [0,1,0,0,0,0|2,0,1]=4 1683 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [0,1,0,0,0,0|2,0,1]=4 1684 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [0,1,0,0,0,0|2,0,1]=4 1685 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [0,1,0,0,0,0|2,0,1]=4 1686 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [0,1,0,0,0,0|2,0,1]=4 1687 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [0,1,0,0,0,0|2,0,1]=4 1688 B11R0.40 CCCCOCNCC(=O)NC 2230a_100000693194_100011995733 [0,1,0,0,0,0|2,0,1]=4 1689 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [0,1,0,0,0,0|2,0,1]=4 1690 B11R0.40 CCCCOCOCC(=O)NC 34a_100000750040_100011995733 [0,1,0,0,0,0|2,0,1]=4 1691 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [0,1,0,0,0,0|2,0,1]=4 1692 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [0,1,0,0,0,0|2,0,1]=4 1693 B11R0.40 CCCCOCSCC(=O)NC 62a_100000183359_100011995733 [0,1,0,0,0,0|2,0,1]=4 1694 B11R0.40 CCCCOCSCC(=O)NC 62a_100011995733_100000183359 [0,1,0,0,0,0|2,0,1]=4 1695 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [0,1,0,0,0,0|2,0,1]=4 1696 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [0,1,0,0,0,0|2,0,1]=4 1697 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000210211_100000742655 [0,1,0,0,0,0|1,0,0]=2 1698 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000742655_100000210210 [0,1,0,0,0,0|1,0,0]=2 1699 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [0,1,0,0,0,0|1,0,2]=4 1700 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [0,1,0,0,0,0|1,0,2]=4 1701 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [0,1,0,0,0,0|1,0,2]=4 1702 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [0,1,0,0,0,0|1,0,2]=4 1703 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [0,1,0,0,0,0|2,0,1]=4 1704 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [0,1,0,0,0,0|2,0,1]=4 1705 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [0,1,0,0,0,0|2,0,1]=4 1706 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [0,1,0,0,0,0|2,0,1]=4 1707 B11R0.40 CCCCSCCNC(=O)CO 240690a_100025743550_100000210174 [0,1,0,0,0,0|2,0,1]=4 1708 B11R0.40 CCCCSCCNC(=O)CO 527a_100025743550_100000210174 [0,1,0,0,0,0|2,0,1]=4 1709 B11R0.40 CCCCSCCNC(=O)NC 2708a_100025743550_106832991635 [0,1,0,0,0,0|2,0,1]=4 1710 B11R0.40 CCCCSCCNC(=O)NC 2708a_100102657272_100025743550 [0,1,0,0,0,0|2,0,1]=4 1711 B11R0.40 CCCCSCCNC(=O)NC 273464a_100025743550_100102657272 [0,1,0,0,0,0|2,0,1]=4 1712 B11R0.40 CCCCSCCNC(=O)NC 273464a_100102657272_100025743550 [0,1,0,0,0,0|2,0,1]=4 1713 B11R0.40 CCCCSCCNC(=O)NC 512a_100025743550_100102657272 [0,1,0,0,0,0|2,0,1]=4 1714 B11R0.40 CCCCSCCNC(=O)NC 512a_106832991638_100025743550 [0,1,0,0,0,0|2,0,1]=4 1715 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [0,1,0,0,0,0|2,0,1]=4 1716 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [0,1,0,0,0,0|2,0,1]=4 1717 B11R0.40 CCCNN=CC=CC(=O)OC 4a_100000740057_100016254430 [0,1,0,0,0,0|2,0,1]=4 1718 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [0,1,0,0,0,0|1,0,2]=4 1719 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [0,1,0,0,0,0|1,0,2]=4 1720 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [0,1,0,0,0,0|1,0,2]=4 1721 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [0,1,0,0,0,0|2,0,1]=4 1722 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [0,1,0,0,0,0|2,0,1]=4 1723 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [0,1,0,0,0,0|2,0,1]=4 1724 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [0,1,0,0,0,0|2,0,1]=4 1725 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [0,1,0,0,0,0|2,0,1]=4 1726 B11R0.40 CCCOCCCNC(=O)NC 2708a_100011217757_106832991635 [0,1,0,0,0,0|2,0,1]=4 1727 B11R0.40 CCCOCCCNC(=O)NC 2708a_100102657272_100011217757 [0,1,0,0,0,0|2,0,1]=4 1728 B11R0.40 CCCOCCCNC(=O)NC 273464a_100011217757_100102657272 [0,1,0,0,0,0|2,0,1]=4 1729 B11R0.40 CCCOCCCNC(=O)NC 273464a_100102657272_100011217757 [0,1,0,0,0,0|2,0,1]=4 1730 B11R0.40 CCCOCCCNC(=O)NC 512a_100011217757_100102657272 [0,1,0,0,0,0|2,0,1]=4 1731 B11R0.40 CCCOCCCNC(=O)NC 512a_106832991638_100011217757 [0,1,0,0,0,0|2,0,1]=4 1732 B11R0.40 CCCOCCNCC(=O)NC 2230a_100000693194_100011215938 [0,1,0,0,0,0|2,0,1]=4 1733 B11R0.40 CCCOCCNCC(=O)NC 2230a_100161115042_100000183359 [0,1,0,0,0,0|2,0,1]=4 1734 B11R0.40 CCCOCCNCC(=O)NC 34a_100161115042_100000183359 [0,1,0,0,0,0|2,0,1]=4 1735 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [0,1,0,0,0,0|2,0,1]=4 1736 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [0,1,0,0,0,0|2,0,1]=4 1737 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [0,1,0,0,0,0|2,0,1]=4 1738 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [0,1,0,0,0,0|2,0,1]=4 1739 B11R0.40 CCCOCCOCC(=O)NC 34a_100000750040_100011215938 [0,1,0,0,0,0|2,0,1]=4 1740 B11R0.40 CCCOCCOCC(=O)NC 34a_100000752267_100000183359 [0,1,0,0,0,0|2,0,1]=4 1741 B11R0.40 CCCOCCOCC(=O)NC 7a_100000752267_100000183359 [0,1,0,0,0,0|2,0,1]=4 1742 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [0,1,0,0,0,0|2,0,1]=4 1743 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [0,1,0,0,0,0|2,0,1]=4 1744 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [0,1,0,0,0,0|2,0,1]=4 1745 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [0,1,0,0,0,0|2,0,1]=4 1746 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [0,1,0,0,0,0|2,0,1]=4 1747 B11R0.40 CCCOCCSCC(=O)NC 62a_100000183359_100011215938 [0,1,0,0,0,0|2,0,1]=4 1748 B11R0.40 CCCOCCSCC(=O)NC 62a_100011215938_100000183359 [0,1,0,0,0,0|2,0,1]=4 1749 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [0,1,0,0,0,0|2,0,1]=4 1750 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [0,1,0,0,0,0|2,0,1]=4 1751 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [0,1,0,0,0,0|1,0,2]=4 1752 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [0,1,0,0,0,0|1,0,2]=4 1753 B11R0.40 CCCSCCNCC(=O)NC 2230a_100020603323_100000183359 [0,1,0,0,0,0|2,0,1]=4 1754 B11R0.40 CCCSCCNCC(=O)OC 2230a_100020603323_100000747449 [0,1,0,0,0,0|2,0,1]=4 1755 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [0,1,0,0,0,0|2,0,1]=4 1756 B11R0.40 CCCSCCOCC(=O)NC 34a_200000230433_100000183359 [0,1,0,0,0,0|2,0,1]=4 1757 B11R0.40 CCCSCCOCC(=O)NC 7a_200000230433_100000183359 [0,1,0,0,0,0|2,0,1]=4 1758 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [0,1,0,0,0,0|2,0,1]=4 1759 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [0,1,0,0,0,0|2,0,1]=4 1760 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [0,1,0,0,0,0|2,0,1]=4 1761 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [0,1,0,0,0,0|2,0,1]=4 1762 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [0,1,0,0,0,0|1,0,2]=4 1763 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [0,1,0,0,0,0|1,0,2]=4 1764 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [0,1,0,0,0,0|1,0,2]=4 1765 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [0,1,0,0,0,0|1,0,2]=4 1766 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000210961_100000183359 [0,1,0,0,0,0|2,0,1]=4 1767 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000693194_100012232248 [0,1,0,0,0,0|2,0,1]=4 1768 B11R0.40 CCOCCCNCC(=O)NC 34a_100000210961_100000183359 [0,1,0,0,0,0|2,0,1]=4 1769 B11R0.40 CCOCCCNCC(=O)OC 2230a_100000210961_100000747449 [0,1,0,0,0,0|2,0,1]=4 1770 B11R0.40 CCOCCCNCC(=O)OC 34a_100000210961_100000747449 [0,1,0,0,0,0|2,0,1]=4 1771 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [0,1,0,0,0,0|2,0,1]=4 1772 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [0,1,0,0,0,0|2,0,1]=4 1773 B11R0.40 CCOCCCOCC(=O)NC 34a_100000750040_100012232248 [0,1,0,0,0,0|2,0,1]=4 1774 B11R0.40 CCOCCCOCC(=O)NC 34a_100000757476_100000183359 [0,1,0,0,0,0|2,0,1]=4 1775 B11R0.40 CCOCCCOCC(=O)NC 7a_100000757476_100000183359 [0,1,0,0,0,0|2,0,1]=4 1776 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [0,1,0,0,0,0|2,0,1]=4 1777 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [0,1,0,0,0,0|2,0,1]=4 1778 B11R0.40 CCOCCCSCC(=O)CC 62a_100000747405_100012232248 [0,1,0,0,0,0|2,0,1]=4 1779 B11R0.40 CCOCCCSCC(=O)CC 62a_100012232248_100000747405 [0,1,0,0,0,0|2,0,1]=4 1780 B11R0.40 CCOCCCSCC(=O)NC 62a_100000183359_100012232248 [0,1,0,0,0,0|2,0,1]=4 1781 B11R0.40 CCOCCCSCC(=O)NC 62a_100012232248_100000183359 [0,1,0,0,0,0|2,0,1]=4 1782 B11R0.40 CCOCCCSCC(=O)OC 62a_100000747449_100012232248 [0,1,0,0,0,0|2,0,1]=4 1783 B11R0.40 CCOCCCSCC(=O)OC 62a_100012232248_100000747449 [0,1,0,0,0,0|2,0,1]=4 1784 B11R0.40 CCOCCNN=CC(=O)OC 4a_100000732670_200011823558 [0,1,0,0,0,0|3,0,0]=4 1785 B11R0.40 CCOCSC/C=C/C(=O)OC 62a_100000739092_100000742655 [0,1,0,0,0,0|2,0,0]=3 1786 B11R0.40 CCOCSC/C=C/C(=O)OC 62a_100000742655_100000739092 [0,1,0,0,0,0|2,0,0]=3 1787 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [0,1,0,0,0,0|1,0,2]=4 1788 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [0,1,0,0,0,0|1,0,2]=4 1789 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [0,1,0,0,0,0|2,0,1]=4 1790 B11R0.40 CCSCCCOCC(=O)NC 34a_100011216438_100000183359 [0,1,0,0,0,0|2,0,1]=4 1791 B11R0.40 CCSCCCOCC(=O)NC 7a_100011216438_100000183359 [0,1,0,0,0,0|2,0,1]=4 1792 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [0,1,0,0,0,0|2,0,1]=4 1793 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [0,1,0,0,0,0|2,0,1]=4 1794 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [0,1,0,0,0,0|1,0,2]=4 1795 B11R0.40 CNC(=O)CNCCCCCF 2230a_100000693194_100000729378 [0,1,0,0,0,0|2,0,1]=4 1796 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000693194_100000746330 [0,1,0,0,0,0|2,0,1]=4 1797 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000762737_100000183359 [0,1,0,0,0,0|2,0,1]=4 1798 B11R0.40 CNC(=O)CNCCCCCO 34a_100000762737_100000183359 [0,1,0,0,0,0|2,0,1]=4 1799 B11R0.40 CNC(=O)CNCCCCOC 2230a_100000693194_100000730899 [0,1,0,0,0,0|2,0,1]=4 1800 B11R0.40 CNC(=O)COCCCCCBr 34a_100000746331_100000183359 [0,1,0,0,0,0|2,0,1]=4 1801 B11R0.40 CNC(=O)COCCCCCBr 7a_100000746331_100000183359 [0,1,0,0,0,0|2,0,1]=4 1802 B11R0.40 CNC(=O)COCCCCCCl 34a_100000746330_100000183359 [0,1,0,0,0,0|2,0,1]=4 1803 B11R0.40 CNC(=O)COCCCCCCl 7a_100000746330_100000183359 [0,1,0,0,0,0|2,0,1]=4 1804 B11R0.40 CNC(=O)COCCCCCF 34a_100000750040_100000729378 [0,1,0,0,0,0|2,0,1]=4 1805 B11R0.40 CNC(=O)COCCCCCI 34a_200012148887_100000183359 [0,1,0,0,0,0|2,0,1]=4 1806 B11R0.40 CNC(=O)COCCCCCI 7a_200012148887_100000183359 [0,1,0,0,0,0|2,0,1]=4 1807 B11R0.40 CNC(=O)COCCCCCN 34a_100000762737_100000183359 [0,1,0,0,0,0|2,0,1]=4 1808 B11R0.40 CNC(=O)COCCCCCO 34a_100000750040_100000746330 [0,1,0,0,0,0|2,0,1]=4 1809 B11R0.40 CNC(=O)COCCCCOC 34a_100000740925_100000183359 [0,1,0,0,0,0|2,0,1]=4 1810 B11R0.40 CNC(=O)COCCCCOC 34a_100000750040_100000755781 [0,1,0,0,0,0|2,0,1]=4 1811 B11R0.40 CNC(=O)COCCCCSC 34a_100011217163_100000183359 [0,1,0,0,0,0|2,0,1]=4 1812 B11R0.40 CNC(=O)COCCCCSC 7a_100011217163_100000183359 [0,1,0,0,0,0|2,0,1]=4 1813 B11R0.40 CNC(=O)CSCCCCCF 62a_100000183359_100000729378 [0,1,0,0,0,0|2,0,1]=4 1814 B11R0.40 CNC(=O)CSCCCCCF 62a_100000729378_100000183359 [0,1,0,0,0,0|2,0,1]=4 1815 B11R0.40 CNC(=O)CSCCCCCO 62a_100000183359_100000746330 [0,1,0,0,0,0|2,0,1]=4 1816 B11R0.40 CNC(=O)CSCCCCCO 62a_100000746330_100000183359 [0,1,0,0,0,0|2,0,1]=4 1817 B11R0.40 CNC(=O)CSCCCCOC 62a_100000183359_100000730899 [0,1,0,0,0,0|2,0,1]=4 1818 B11R0.40 CNC(=O)CSCCCCOC 62a_100000730899_100000183359 [0,1,0,0,0,0|2,0,1]=4 1819 B11R0.40 CNC(=O)NCCCCCCO 2708a_100102657272_100000686447 [0,1,0,0,0,0|2,0,1]=4 1820 B11R0.40 CNC(=O)NCCCCCCO 273464a_100000686447_100102657272 [0,1,0,0,0,0|2,0,1]=4 1821 B11R0.40 CNC(=O)NCCCCCCO 273464a_100102657272_100000686447 [0,1,0,0,0,0|2,0,1]=4 1822 B11R0.40 CNC(=O)NCCCCCCO 512a_100000686447_100102657272 [0,1,0,0,0,0|2,0,1]=4 1823 B11R0.40 CNC(=O)NCCCCCCO 512a_106832991638_100000686447 [0,1,0,0,0,0|2,0,1]=4 1824 B11R0.40 CNC(=O)NCCCCCOC 2708a_100000747528_106832991635 [0,1,0,0,0,0|2,0,1]=4 1825 B11R0.40 CNC(=O)NCCCCCOC 2708a_100102657272_100000747528 [0,1,0,0,0,0|2,0,1]=4 1826 B11R0.40 CNC(=O)NCCCCCOC 273464a_100000747528_100102657272 [0,1,0,0,0,0|2,0,1]=4 1827 B11R0.40 CNC(=O)NCCCCCOC 273464a_100102657272_100000747528 [0,1,0,0,0,0|2,0,1]=4 1828 B11R0.40 CNC(=O)NCCCCCOC 512a_100000747528_100102657272 [0,1,0,0,0,0|2,0,1]=4 1829 B11R0.40 CNC(=O)NCCCCCOC 512a_106832991638_100000747528 [0,1,0,0,0,0|2,0,1]=4 1830 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [0,1,0,0,0,0|1,0,2]=4 1831 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [0,1,0,0,0,0|1,0,2]=4 1832 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [0,1,0,0,0,0|1,0,2]=4 1833 B11R0.40 COC(=O)/C=C/CNCCCF 2230a_100015189416_100000742655 [0,1,0,0,0,0|2,0,0]=3 1834 B11R0.40 COC(=O)/C=C/CNCCCF 34a_100015189416_100000742655 [0,1,0,0,0,0|2,0,0]=3 1835 B11R0.40 COC(=O)/C=C/CNCCSC 2230a_100020590264_100000742655 [0,1,0,0,0,0|2,0,0]=3 1836 B11R0.40 COC(=O)/C=C/COCCCBr 34a_100011217188_100000742655 [0,1,0,0,0,0|2,0,0]=3 1837 B11R0.40 COC(=O)/C=C/COCCCCl 34a_100000230001_100000742655 [0,1,0,0,0,0|2,0,0]=3 1838 B11R0.40 COC(=O)/C=C/COCCCF 34a_100000759539_100000742655 [0,1,0,0,0,0|2,0,0]=3 1839 B11R0.40 COC(=O)/C=C/COCCCN 34a_100000182051_100000742655 [0,1,0,0,0,0|2,0,0]=3 1840 B11R0.40 COC(=O)/C=C/COCCON 34a_100000700252_100000742655 [0,1,0,0,0,0|3,0,0]=4 1841 B11R0.40 COC(=O)/C=C/COCCSC 34a_100000230434_100000742655 [0,1,0,0,0,0|2,0,0]=3 1842 B11R0.40 COC(=O)/C=C/COCCSC 7a_100000230434_100000742655 [0,1,0,0,0,0|2,0,0]=3 1843 B11R0.40 COC(=O)/C=C/CSCCC#N 62a_100000742655_100011215226 [0,1,0,0,0,0|2,0,1]=4 1844 B11R0.40 COC(=O)/C=C/CSCCC#N 62a_100011215226_100000742655 [0,1,0,0,0,0|2,0,1]=4 1845 B11R0.40 COC(=O)/C=C/CSCCCF 62a_100000742655_100011934791 [0,1,0,0,0,0|2,0,0]=3 1846 B11R0.40 COC(=O)/C=C/CSCCCF 62a_100011934791_100000742655 [0,1,0,0,0,0|2,0,0]=3 1847 B11R0.40 COC(=O)/C=C/CSCCCO 62a_100000742655_100011215043 [0,1,0,0,0,0|2,0,0]=3 1848 B11R0.40 COC(=O)/C=C/CSCCCO 62a_100011215043_100000742655 [0,1,0,0,0,0|2,0,0]=3 1849 B11R0.40 COC(=O)/C=C/CSCCSC 62a_100000212216_100000742655 [0,1,0,0,0,0|2,0,0]=3 1850 B11R0.40 COC(=O)/C=C/CSCCSC 62a_100000742655_100000751147 [0,1,0,0,0,0|2,0,0]=3 1851 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [0,1,0,0,0,0|1,0,2]=4 1852 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [0,1,0,0,0,0|1,0,2]=4 1853 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [0,1,0,0,0,0|1,0,2]=4 1854 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [0,1,0,0,0,0|1,0,2]=4 1855 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [0,1,0,0,0,0|1,0,2]=4 1856 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [0,1,0,0,0,0|1,0,2]=4 1857 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [0,1,0,0,0,0|2,0,1]=4 1858 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [0,1,0,0,0,0|2,0,1]=4 1859 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [0,1,0,0,0,0|2,0,1]=4 1860 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [0,1,0,0,0,0|2,0,1]=4 1861 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [0,1,0,0,0,0|2,0,1]=4 1862 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [0,1,0,0,0,0|2,0,1]=4 1863 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [0,1,0,0,0,0|2,0,1]=4 1864 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [0,1,0,0,0,0|2,0,1]=4 1865 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [0,1,0,0,0,0|2,0,1]=4 1866 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [0,1,0,0,0,0|2,0,1]=4 1867 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [0,1,0,0,0,0|2,0,1]=4 1868 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [0,1,0,0,0,0|2,0,1]=4 1869 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [0,1,0,0,0,0|2,0,1]=4 1870 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [0,1,0,0,0,0|2,0,1]=4 1871 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [0,1,0,0,0,0|2,0,1]=4 1872 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [0,1,0,0,0,0|1,0,2]=4 1873 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [0,1,0,0,0,0|1,0,2]=4 1874 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [0,1,0,0,0,0|1,0,2]=4 1875 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [0,1,0,0,0,0|1,0,2]=4 1876 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [0,1,0,0,0,0|2,0,1]=4 1877 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [0,1,0,0,0,0|2,0,1]=4 1878 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [0,1,0,0,0,0|2,0,1]=4 1879 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [0,1,0,0,0,0|2,0,1]=4 1880 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [0,1,0,0,0,0|2,0,1]=4 1881 B11R0.40 COCCNC/C=C/C(=O)OC 2230a_100000209980_100000742655 [0,1,0,0,0,0|2,0,0]=3 1882 B11R0.40 COCCOC/C=C/C(=O)OC 34a_100000210237_100000742655 [0,1,0,0,0,0|2,0,0]=3 1883 B11R0.40 COCCSC/C=C/C(=O)OC 62a_100000233755_100000742655 [0,1,0,0,0,0|2,0,0]=3 1884 B11R0.40 COCCSC/C=C/C(=O)OC 62a_100000742655_100000233755 [0,1,0,0,0,0|2,0,0]=3 1885 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [0,1,0,0,0,0|1,0,2]=4 1886 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,1,0,0,0,0|1,0,2]=4 1887 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [0,1,0,0,0,0|2,0,1]=4 1888 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [0,1,0,0,0,0|2,0,1]=4 1889 B11R0.42 C=C(Br)C(=O)NCCCCCC 11a_100000210581_100009813364 [0,1,0,0,0,0|2,0,1]=4 1890 B11R0.42 C=C(Br)C(=O)NCCCCCC 1626a_100000210581_100009813364 [0,1,0,0,0,0|2,0,1]=4 1891 B11R0.42 C=C(C)C(=NNCCCCC)C 4a_100000694160_100011216138 [0,1,0,0,0,0|3,0,0]=4 1892 B11R0.42 C=C(C)C(=O)CCCCCCC 1458a_100000185857_100000210614 [0,1,0,0,0,0|1,0,1]=3 1893 B11R0.42 C=C(C)C(=O)CCCCCCF 1458a_100000185857_100015922095 [0,1,0,0,0,0|2,0,1]=4 1894 B11R0.42 C=C(C)C(=O)CCCCCCO 1458a_100000185857_100000766143 [0,1,0,0,0,0|2,0,1]=4 1895 B11R0.42 C=C(C)C(=O)CCOCCCC 1458a_100000185857_100000743108 [0,1,0,0,0,0|2,0,1]=4 1896 B11R0.42 C=C(C)C(=O)NCCCCCC 11a_100000210581_100000185857 [0,1,0,0,0,0|2,0,0]=3 1897 B11R0.42 C=C(C)C(=O)NCCCCCC 1626a_100000210581_100000185857 [0,1,0,0,0,0|2,0,0]=3 1898 B11R0.42 C=C(C)C(=O)NCCCNCC 2230a_100016987756_100000210202 [0,1,0,0,0,0|3,0,0]=4 1899 B11R0.42 C=C(C)C(=O)NCCCOCC 11a_100000210961_100000185857 [0,1,0,0,0,0|3,0,0]=4 1900 B11R0.42 C=C(C)C(=O)NCCCOCC 1626a_100000210961_100000185857 [0,1,0,0,0,0|3,0,0]=4 1901 B11R0.42 C=C(C)C(=O)NCCNCCC 2230a_100102636416_100000210303 [0,1,0,0,0,0|3,0,0]=4 1902 B11R0.42 C=C(C)C(=O)NCCOCCC 1626a_100161115042_100000185857 [0,1,0,0,0,0|3,0,0]=4 1903 B11R0.42 C=C(C)C(=O)NCCSCCC 11a_100020603323_100000185857 [0,1,0,0,0,0|3,0,0]=4 1904 B11R0.42 C=C(C)C(=O)NNCCCCC 22a_100000694160_100000185857 [0,1,0,0,0,0|3,0,0]=4 1905 B11R0.42 C=C(C)C(=O)OCCCCOC 7a_100000065474_200000210301 [0,1,0,0,0,0|3,0,0]=4 1906 B11R0.42 C=C(C)C(=O)OCCCCO[13CH3] 7a_100000065474_200025704644 [0,1,0,0,0,0|3,0,0]=4 1907 B11R0.42 C=C(C)C(=O)OCCCOCC 7a_100000032641_100000210202 [0,1,0,0,0,0|3,0,0]=4 1908 B11R0.42 C=C(C)C(=O)OCCOCCC 34a_100000210258_100009816335 [0,1,0,0,0,0|3,0,0]=4 1909 B11R0.42 C=C(C)C(=O)OCCSCCC 62a_100000210303_100009816335 [0,1,0,0,0,0|3,0,0]=4 1910 B11R0.42 C=C(C)C(=O)OCCSCCC 62a_100009816335_100000210303 [0,1,0,0,0,0|3,0,0]=4 1911 B11R0.42 C=C(C)C(C)NCCCCCC 269862a_100000210581_100011216138 [0,1,0,0,0,0|2,0,1]=4 1912 B11R0.42 C=C(Cl)C(=O)NCCCCCC 11a_100000210581_100000039160 [0,1,0,0,0,0|2,0,1]=4 1913 B11R0.42 C=C(Cl)C(=O)NCCCCCC 1626a_100000210581_100000039160 [0,1,0,0,0,0|2,0,1]=4 1914 B11R0.42 C=C(F)C(=O)NCCCCCC 11a_100000210581_100000036797 [0,1,0,0,0,0|2,0,1]=4 1915 B11R0.42 C=C(F)C(=O)NCCCCCC 1626a_100000210581_100000036797 [0,1,0,0,0,0|2,0,1]=4 1916 B11R0.42 CC(=O)C(=O)CNCCCCO 34a_100000750430_100011261029 [0,1,0,0,0,0|2,0,1]=4 1917 B11R0.42 CC(=O)C(=O)COCCCCBr 34a_100011216708_100011261029 [0,1,0,0,0,0|2,0,1]=4 1918 B11R0.42 CC(=O)C(=O)COCCCCCl 34a_100000210776_100011261029 [0,1,0,0,0,0|2,0,1]=4 1919 B11R0.42 CC(=O)C(=O)COCCCCF 34a_100011995726_100011261029 [0,1,0,0,0,0|2,0,1]=4 1920 B11R0.42 CC(=O)C(=O)COCCCCI 34a_200012148704_100011261029 [0,1,0,0,0,0|2,0,1]=4 1921 B11R0.42 CC(=O)C(=O)COCCCCN 34a_100000750430_100011261029 [0,1,0,0,0,0|2,0,1]=4 1922 B11R0.42 CC(=O)C(=O)CSCCCCF 62a_100000729493_100011261029 [0,1,0,0,0,0|2,0,1]=4 1923 B11R0.42 CC(=O)C(=O)CSCCCCF 62a_100011261029_100000729493 [0,1,0,0,0,0|2,0,1]=4 1924 B11R0.42 CC(=O)C(=O)CSCCCCO 62a_100000210776_100011261029 [0,1,0,0,0,0|2,0,1]=4 1925 B11R0.42 CC(=O)C(=O)CSCCCCO 62a_100011261029_100000210776 [0,1,0,0,0,0|2,0,1]=4 1926 B11R0.42 CC(=O)C(C)NCCCCCO 2230a_100000762737_100009814033 [0,1,0,0,0,0|2,0,1]=4 1927 B11R0.42 CC(=O)C(C)OCCCCCBr 7a_100000746331_100000179758 [0,1,0,0,0,0|2,0,1]=4 1928 B11R0.42 CC(=O)C(C)OCCCCCCl 7a_100000746330_100000179758 [0,1,0,0,0,0|2,0,1]=4 1929 B11R0.42 CC(=O)C(C)OCCCCCF 34a_100000212229_100000729378 [0,1,0,0,0,0|2,0,1]=4 1930 B11R0.42 CC(=O)C(C)OCCCCCI 7a_200012148887_100000179758 [0,1,0,0,0,0|2,0,1]=4 1931 B11R0.42 CC(=O)C(C)OCCCCCO 34a_100000212229_100000746330 [0,1,0,0,0,0|2,0,1]=4 1932 B11R0.42 CC(=O)C(C)SCCCCCF 62a_100000729378_100009814033 [0,1,0,0,0,0|2,0,1]=4 1933 B11R0.42 CC(=O)C(C)SCCCCCF 62a_100009814033_100000729378 [0,1,0,0,0,0|2,0,1]=4 1934 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100000746330_100009814033 [0,1,0,0,0,0|2,0,1]=4 1935 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100009814033_100000746330 [0,1,0,0,0,0|2,0,1]=4 1936 B11R0.42 CCCCCC=CC(=O)C(C)C 1458a_100016263427_100000210206 [0,1,0,0,0,0|1,0,2]=4 1937 B11R0.42 CCCCCC=CC(=O)N(C)C 11a_100102631434_100016263427 [0,1,0,0,0,0|2,0,1]=4 1938 B11R0.42 CCCCCC=CC(=O)N(C)C 1626a_100102631434_100016263427 [0,1,0,0,0,0|2,0,1]=4 1939 B11R0.42 CCCCCC=CC(=O)N(C)C 240690a_100102631434_100016263427 [0,1,0,0,0,0|2,0,1]=4 1940 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000210198_100000210614 [0,1,0,0,0,0|1,0,2]=4 1941 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000211969_100000210206 [0,1,0,0,0,0|1,0,2]=4 1942 B11R0.42 CCCCCCCC(=O)C(C)F 1458a_100000062450_100000210614 [0,1,0,0,0,0|1,0,2]=4 1943 B11R0.42 CCCCCCCC(=O)N(C)C 11a_100102631434_100000211969 [0,1,0,0,0,0|2,0,1]=4 1944 B11R0.42 CCCCCCCC(=O)N(C)C 1626a_100102631434_100000211969 [0,1,0,0,0,0|2,0,1]=4 1945 B11R0.42 CCCCCCCC(=O)N(C)C 240690a_100102631434_100000211969 [0,1,0,0,0,0|2,0,1]=4 1946 B11R0.42 CCCCCCCC(=O)N(C)C 527a_100102631434_100000211969 [0,1,0,0,0,0|2,0,1]=4 1947 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [0,1,0,0,0,0|0,0,3]=4 1948 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [0,1,0,0,0,0|0,0,3]=4 1949 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,1,0,0,0,0|0,0,2]=3 1950 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [0,1,0,0,0,0|1,0,1]=3 1951 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [0,1,0,0,0,0|1,0,1]=3 1952 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [0,1,0,0,0,0|1,0,1]=3 1953 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [0,1,0,0,0,0|1,0,1]=3 1954 B11R0.42 CCCCCCNC(=O)C(=O)N 240690a_100000210581_100011215815 [0,1,0,0,0,0|2,0,0]=3 1955 B11R0.42 CCCCCCNC(=O)C(C)C 11a_100000210581_100000210198 [0,1,0,0,0,0|2,0,1]=4 1956 B11R0.42 CCCCCCNC(=O)C(C)C 1626a_100000210581_100000210198 [0,1,0,0,0,0|2,0,1]=4 1957 B11R0.42 CCCCCCNC(=O)C(C)C 240690a_100000210581_100000210198 [0,1,0,0,0,0|2,0,1]=4 1958 B11R0.42 CCCCCCNC(=O)C(C)C 527a_100000210581_100000210198 [0,1,0,0,0,0|2,0,1]=4 1959 B11R0.42 CCCCCCNC(=O)C(C)F 11a_100000210581_100000062450 [0,1,0,0,0,0|2,0,1]=4 1960 B11R0.42 CCCCCCNC(=O)C(C)F 1626a_100000210581_100000062450 [0,1,0,0,0,0|2,0,1]=4 1961 B11R0.42 CCCCCCNC(=O)C(C)F 240690a_100000210581_100000062450 [0,1,0,0,0,0|2,0,1]=4 1962 B11R0.42 CCCCCCNC(=O)C(C)F 527a_100000210581_100000062450 [0,1,0,0,0,0|2,0,1]=4 1963 B11R0.42 CCCCCCNC(=O)N(C)C 2708a_100000210581_100102631434 [0,1,0,0,0,0|3,0,0]=4 1964 B11R0.42 CCCCCCNC(=O)[C@@H](C)O 240690a_100000210581_100000717761 [0,1,0,0,0,0|1,0,2]=4 1965 B11R0.42 CCCCCCNC(=O)[C@H](C)O 1626a_100000210581_217856618621 [0,1,0,0,0,0|1,0,2]=4 1966 B11R0.42 CCCCCCNC(=O)[C@H](C)O 240690a_100000210581_217856618621 [0,1,0,0,0,0|1,0,2]=4 1967 B11R0.42 CCCCCCNC(C)C(=O)C 2230a_100000210581_100009814033 [0,1,0,0,0,0|1,0,1]=3 1968 B11R0.42 CCCCCCNC(C)C(=O)N 2230a_100000210581_100000702099 [0,1,0,0,0,0|2,0,1]=4 1969 B11R0.42 CCCCCCNC(F)C(=O)N 2230a_100000210581_100009813875 [0,1,0,0,0,0|2,0,1]=4 1970 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [0,1,0,0,0,0|2,0,1]=4 1971 B11R0.42 CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210314 [0,1,0,0,0,0|2,0,1]=4 1972 B11R0.42 CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210314 [0,1,0,0,0,0|2,0,1]=4 1973 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [0,1,0,0,0,0|1,0,1]=3 1974 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [0,1,0,0,0,0|1,0,1]=3 1975 B11R0.42 CCCCCCOC(C)C(=O)N 34a_100000210259_100000702099 [0,1,0,0,0,0|2,0,1]=4 1976 B11R0.42 CCCCCCOC(C)C(=O)N 7a_100000210259_100000702099 [0,1,0,0,0,0|2,0,1]=4 1977 B11R0.42 CCCCCCOC(F)C(=O)N 34a_100000210259_100009813875 [0,1,0,0,0,0|2,0,1]=4 1978 B11R0.42 CCCCCCOC(F)C(=O)N 7a_100000210259_100009813875 [0,1,0,0,0,0|2,0,1]=4 1979 B11R0.42 CCCCCCOC(F)C(=O)[O-] 34a_100000210259_100020610796 [0,1,0,0,0,0|2,0,1]=4 1980 B11R0.42 CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210314 [0,1,0,0,0,0|2,0,1]=4 1981 B11R0.42 CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210314 [0,1,0,0,0,0|2,0,1]=4 1982 B11R0.42 CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210314 [0,1,0,0,0,0|2,0,1]=4 1983 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100000210314_100009814033 [0,1,0,0,0,0|1,0,1]=3 1984 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100009814033_100000210757 [0,1,0,0,0,0|1,0,1]=3 1985 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000210314_100000702099 [0,1,0,0,0,0|2,0,1]=4 1986 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000702099_100000210757 [0,1,0,0,0,0|2,0,1]=4 1987 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100000210314_100009813875 [0,1,0,0,0,0|2,0,1]=4 1988 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100009813875_100000210757 [0,1,0,0,0,0|2,0,1]=4 1989 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100000210314_100020610796 [0,1,0,0,0,0|2,0,1]=4 1990 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210757 [0,1,0,0,0,0|2,0,1]=4 1991 B11R0.42 CCCCCNNC(=O)C(=O)N 22a_100000694160_100011215815 [0,1,0,0,0,0|3,0,0]=4 1992 B11R0.42 CCCCCOCC(=O)C(=O)C 34a_100000210253_100011261029 [0,1,0,0,0,0|1,0,1]=3 1993 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [0,1,0,0,0,0|1,0,2]=4 1994 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [0,1,0,0,0,0|1,0,2]=4 1995 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100000210326_100011261029 [0,1,0,0,0,0|1,0,1]=3 1996 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100011261029_100000210326 [0,1,0,0,0,0|1,0,1]=3 1997 B11R0.42 CCCCOCOC(C)C(=O)C 34a_100000212229_100011995733 [0,1,0,0,0,0|2,0,1]=4 1998 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100009814033_100011995733 [0,1,0,0,0,0|2,0,1]=4 1999 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100011995733_100009814033 [0,1,0,0,0,0|2,0,1]=4 2000 B11R0.42 CCCOCCNC(=O)C(=O)N 240690a_100161115042_100011215815 [0,1,0,0,0,0|3,0,0]=4 2001 B11R0.42 CCCOCCNC(C)C(=O)C 2230a_100161115042_100009814033 [0,1,0,0,0,0|2,0,1]=4 2002 B11R0.42 CCCOCCOC(C)C(=O)C 34a_100000212229_100011215938 [0,1,0,0,0,0|2,0,1]=4 2003 B11R0.42 CCCOCCOC(C)C(=O)C 7a_100000752267_100000179758 [0,1,0,0,0,0|2,0,1]=4 2004 B11R0.42 CCCOCCSC(C)C(=O)C 62a_100009814033_100011215938 [0,1,0,0,0,0|2,0,1]=4 2005 B11R0.42 CCCOCCSC(C)C(=O)C 62a_100011215938_100009814033 [0,1,0,0,0,0|2,0,1]=4 2006 B11R0.42 CCCSCCNC(=O)C(=O)N 240690a_100020603323_100011215815 [0,1,0,0,0,0|3,0,0]=4 2007 B11R0.42 CCCSCCNC(C)C(=O)C 2230a_100020603323_100009814033 [0,1,0,0,0,0|2,0,1]=4 2008 B11R0.42 CCCSCCOC(C)C(=O)C 7a_200000230433_100000179758 [0,1,0,0,0,0|2,0,1]=4 2009 B11R0.42 CCOCCCNC(=O)C(=O)N 240690a_100000210961_100011215815 [0,1,0,0,0,0|3,0,0]=4 2010 B11R0.42 CCOCCCNC(C)C(=O)C 2230a_100000210961_100009814033 [0,1,0,0,0,0|2,0,1]=4 2011 B11R0.42 CCOCCCOC(C)C(=O)C 34a_100000212229_100012232248 [0,1,0,0,0,0|2,0,1]=4 2012 B11R0.42 CCOCCCOC(C)C(=O)C 7a_100000757476_100000179758 [0,1,0,0,0,0|2,0,1]=4 2013 B11R0.42 CCOCCCSC(C)C(=O)C 62a_100009814033_100012232248 [0,1,0,0,0,0|2,0,1]=4 2014 B11R0.42 CCOCCCSC(C)C(=O)C 62a_100012232248_100009814033 [0,1,0,0,0,0|2,0,1]=4 2015 B11R0.42 CCOCCNCC(=O)C(=O)C 34a_102516460346_100011261029 [0,1,0,0,0,0|2,0,1]=4 2016 B11R0.42 CCOCCOCC(=O)C(=O)C 34a_100000210136_100011261029 [0,1,0,0,0,0|2,0,1]=4 2017 B11R0.42 CCOCCSCC(=O)C(=O)C 62a_100000210147_100011261029 [0,1,0,0,0,0|2,0,1]=4 2018 B11R0.42 CCOCCSCC(=O)C(=O)C 62a_100011261029_100011215890 [0,1,0,0,0,0|2,0,1]=4 2019 B11R0.42 CCSCCCOC(C)C(=O)C 7a_100011216438_100000179758 [0,1,0,0,0,0|2,0,1]=4 2020 B11R0.42 CCSCCOCC(=O)C(=O)C 34a_100000212035_100011261029 [0,1,0,0,0,0|2,0,1]=4 2021 B11R0.42 CCSCCSCC(=O)C(=O)C 62a_100000757381_100011261029 [0,1,0,0,0,0|2,0,1]=4 2022 B11R0.42 CCSCCSCC(=O)C(=O)C 62a_100011261029_100000757381 [0,1,0,0,0,0|2,0,1]=4 2023 B11R0.42 CNCCCOCC(=O)C(=O)C 34a_100000213112_100011261029 [0,1,0,0,0,0|2,0,1]=4 2024 B11R0.42 COCCCCOC(C)C(=O)C 34a_100000212229_100000755781 [0,1,0,0,0,0|2,0,1]=4 2025 B11R0.42 COCCCCSC(C)C(=O)C 62a_100000730899_100009814033 [0,1,0,0,0,0|2,0,1]=4 2026 B11R0.42 COCCCCSC(C)C(=O)C 62a_100009814033_100000730899 [0,1,0,0,0,0|2,0,1]=4 2027 B11R0.42 COCCCNCC(=O)C(=O)C 34a_100150723488_100011261029 [0,1,0,0,0,0|2,0,1]=4 2028 B11R0.42 COCCCOCC(=O)C(=O)C 34a_100000740835_100011261029 [0,1,0,0,0,0|2,0,1]=4 2029 B11R0.42 COCCCSCC(=O)C(=O)C 62a_100000709357_100011261029 [0,1,0,0,0,0|2,0,1]=4 2030 B11R0.42 COCCCSCC(=O)C(=O)C 62a_100011261029_100000709357 [0,1,0,0,0,0|2,0,1]=4 2031 B11R0.42 CSCCCCOC(C)C(=O)C 7a_100011217163_100000179758 [0,1,0,0,0,0|2,0,1]=4 2032 B11R0.42 CSCCCOCC(=O)C(=O)C 34a_100000690336_100011261029 [0,1,0,0,0,0|2,0,1]=4 2033 B11R0.42 NC(=O)C(=O)NCCCCCO 240690a_100000762737_100011215815 [0,1,0,0,0,0|3,0,0]=4 2034 B11R0.46 C=C(C)CNC(C)CCCCC 2230a_100000211957_100000748629 [0,1,0,0,0,0|2,0,1]=4 2035 B11R0.46 C=C(C)COC(C)CCCCC 34a_100000210245_200011218191 [0,1,0,0,0,0|2,0,1]=4 2036 B11R0.46 C=C(C)COC(C)CCCCC 34a_100011215632_100000748629 [0,1,0,0,0,0|2,0,1]=4 2037 B11R0.46 C=C(C)COC(C)CCCCC 7a_100011215632_100000748629 [0,1,0,0,0,0|2,0,1]=4 2038 B11R0.46 C=C(C)CSC(C)CCCCC 62a_100000748629_200011218191 [0,1,0,0,0,0|2,0,1]=4 2039 B11R0.46 C=C(C)CSC(C)CCCCC 62a_200011218191_100000211660 [0,1,0,0,0,0|2,0,1]=4 2040 B11R0.46 CCCCCC(=NNC(=O)C)C 4a_100000189765_100000211708 [0,1,0,0,0,0|2,0,1]=4 2041 B11R0.46 CCCCCC(=O)C=CC(C)C 1458a_100016268746_100000210326 [0,1,0,0,0,0|1,0,2]=4 2042 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100000212188_100000761012 [0,1,0,0,0,0|1,0,2]=4 2043 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210326 [0,1,0,0,0,0|1,0,2]=4 2044 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [0,1,0,0,0,0|1,0,2]=4 2045 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [0,1,0,0,0,0|1,0,2]=4 2046 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [0,1,0,0,0,0|1,0,2]=4 2047 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189765_100000212188 [0,1,0,0,0,0|2,0,1]=4 2048 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189784_100000070787 [0,1,0,0,0,0|2,0,1]=4 2049 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [0,1,0,0,0,0|0,0,2]=3 2050 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [0,1,0,0,0,0|0,0,2]=3 2051 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000211957_100000747473 [0,1,0,0,0,0|2,0,1]=4 2052 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000711301_200011218191 [0,1,0,0,0,0|2,0,1]=4 2053 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [0,1,0,0,0,0|2,0,1]=4 2054 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [0,1,0,0,0,0|1,0,1]=3 2055 B11R0.46 CCCCCC(C)OCC(=O)N 34a_100011215632_100000187820 [0,1,0,0,0,0|2,0,1]=4 2056 B11R0.46 CCCCCC(C)OCC(=O)N 7a_100011215632_100000187820 [0,1,0,0,0,0|2,0,1]=4 2057 B11R0.46 CCCCCC(C)OCC(=O)[O-] 34a_100011215632_100020667443 [0,1,0,0,0,0|2,0,1]=4 2058 B11R0.46 CCCCCC(C)SCC(=O)N 62a_100000747473_200011218191 [0,1,0,0,0,0|2,0,1]=4 2059 B11R0.46 CCCCCC(C)SCC(=O)N 62a_200011218191_100000747473 [0,1,0,0,0,0|2,0,1]=4 2060 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218191 [0,1,0,0,0,0|2,0,1]=4 2061 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_200011218191_100020667443 [0,1,0,0,0,0|2,0,1]=4 2062 B11R0.46 CCCCCN(C)CC=C(C)C 2230a_100000223495_100000761012 [0,1,0,0,0,0|2,0,1]=4 2063 B11R0.46 CCCCCN(C)CC=C(C)C 269982a_100000223495_100000761012 [0,1,0,0,0,0|2,0,1]=4 2064 B11R0.46 CCCCCN(C)CCC(=O)C 1458a_100016987678_200000210301 [0,1,0,0,0,0|1,0,2]=4 2065 B11R0.46 CCCCCN(C)CCC(=O)C 269982a_100000223495_100000053229 [0,1,0,0,0,0|1,0,2]=4 2066 B11R0.46 CCCCCN(C)CCC(=O)[13CH3] 1458a_100016987678_200025704644 [0,1,0,0,0,0|1,0,2]=4 2067 B11R0.46 CCCCCN(C)COC(=O)C 269982a_100000223495_100000076356 [0,1,0,0,0,0|2,0,1]=4 2068 B11R0.46 CCCCNC(C)COC(=O)C 270004a_100000102301_100000000629 [0,1,0,0,0,0|2,0,1]=4 2069 B11R0.46 CCCOCC(C)CSC(=O)C 34a_100000210258_200000116872 [0,1,0,0,0,0|2,0,1]=4 2070 B11R0.46 CCCOCC(O)COC(=O)C 34a_100000210258_200000139349 [0,1,0,0,0,0|2,0,1]=4 2071 B11R0.46 CCCSCC(C)CSC(=O)C 62a_100000210303_200000116872 [0,1,0,0,0,0|2,0,1]=4 2072 B11R0.46 CCCSCC(C)CSC(=O)C 62a_200000116872_100000210303 [0,1,0,0,0,0|2,0,1]=4 2073 B11R0.46 CCCSCC(O)COC(=O)C 62a_100000210303_200000139349 [0,1,0,0,0,0|2,0,1]=4 2074 B11R0.46 CCCSCC(O)COC(=O)C 62a_200000139349_100000210303 [0,1,0,0,0,0|2,0,1]=4 2075 B11R0.111 C=C(C)COCCCC(C)CC 7a_100011216074_100000748629 [0,1,0,0,0,0|2,0,1]=4 2076 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [0,1,0,0,0,0|1,0,2]=4 2077 B11R0.111 CCC(=O)CCCCSC(=O)C 1458a_100000210414_200010402107 [0,1,0,0,0,0|1,0,2]=4 2078 B11R0.111 CCC(C)CCCOCC(=O)N 7a_100011216074_100000187820 [0,1,0,0,0,0|2,0,1]=4 2079 B11R0.111 CCC(C)CCNCC=C(C)C 2230a_100020591266_100000761012 [0,1,0,0,0,0|2,0,1]=4 2080 B11R0.111 CCC(C)CCOCC=C(C)C 7a_100011215188_100000761012 [0,1,0,0,0,0|2,0,1]=4 2081 B11R0.111 CCC(C)CCOCCC(=O)C 7a_100011215188_100000053229 [0,1,0,0,0,0|1,0,2]=4 2082 B11R0.111 CCC(C)CNCCC=C(C)C 2230a_100020588543_100011217483 [0,1,0,0,0,0|2,0,1]=4 2083 B11R0.111 CCC(C)CNCCNC(=O)C 2230a_100000209853_100000748023 [0,1,0,0,0,0|2,0,1]=4 2084 B11R0.111 CCC(C)CNCCNC(=O)C 2230a_100020588543_100000189650 [0,1,0,0,0,0|2,0,1]=4 2085 B11R0.111 CCC(C)COCCCC(=O)C 34a_100000759063_100000748023 [0,1,0,0,0,0|1,0,2]=4 2086 B11R0.111 CCC(C)COCCCC(=O)C 7a_100000759063_100000748023 [0,1,0,0,0,0|1,0,2]=4 2087 B11R0.111 CCC(C)COCCNC(=O)C 34a_100000158858_100000748023 [0,1,0,0,0,0|2,0,1]=4 2088 B11R0.111 CCC(C)CSCCC=C(C)C 62a_100000748023_100011217483 [0,1,0,0,0,0|2,0,1]=4 2089 B11R0.111 CCC(C)CSCCC=C(C)C 62a_100011217483_100000748023 [0,1,0,0,0,0|2,0,1]=4 2090 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100000748023_100011215641 [0,1,0,0,0,0|1,0,2]=4 2091 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100011215641_100000748023 [0,1,0,0,0,0|1,0,2]=4 2092 B11R0.111 CCC(C)CSCCNC(=O)C 62a_100000189650_100000748023 [0,1,0,0,0,0|2,0,1]=4 2093 B11R0.111 CCC(C)CSCCNC(=O)C 62a_100000748023_100000189650 [0,1,0,0,0,0|2,0,1]=4 2094 B11R0.111 CCC(C)CSCCOC(=O)C 62a_100000748023_100009814007 [0,1,0,0,0,0|2,0,1]=4 2095 B11R0.111 CCC(C)CSCCOC(=O)C 62a_100009814007_100000748023 [0,1,0,0,0,0|2,0,1]=4 2096 B11R0.111 CCC(C)NCCCNC(=O)C 34a_100000736810_100011215416 [0,1,0,0,0,0|2,0,1]=4 2097 B11R0.111 CCC(C)NCCCSC(=O)C 2230a_100000209981_100000038929 [0,1,0,0,0,0|2,0,1]=4 2098 B11R0.111 CCC(C)OCCCCC(=O)C 7a_100000210228_100000735457 [0,1,0,0,0,0|1,0,2]=4 2099 B11R0.111 CCC(C)OCCCNC(=O)C 34a_100000752032_100011215416 [0,1,0,0,0,0|2,0,1]=4 2100 B11R0.111 CCC(C)OCCCOC(=O)C 7a_100000210228_100000042594 [0,1,0,0,0,0|2,0,1]=4 2101 B11R0.111 CCC(C)OCCCSC(=O)C 7a_100000210228_100000038929 [0,1,0,0,0,0|2,0,1]=4 2102 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000735457_100000758301 [0,1,0,0,0,0|1,0,2]=4 2103 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000758301_100000735457 [0,1,0,0,0,0|1,0,2]=4 2104 B11R0.111 CCC(C)SCCCOC(=O)C 62a_100000042594_100000758301 [0,1,0,0,0,0|2,0,1]=4 2105 B11R0.111 CCC(C)SCCCOC(=O)C 62a_100000758301_100000042594 [0,1,0,0,0,0|2,0,1]=4 2106 B11R0.111 CCC(C)SCCCSC(=O)C 62a_100000038929_100000758301 [0,1,0,0,0,0|2,0,1]=4 2107 B11R0.111 CCC(C)SCCCSC(=O)C 62a_100000758301_100000038929 [0,1,0,0,0,0|2,0,1]=4 2108 B11R0.111 CCC(O)CNCCC=C(C)C 2230a_100011218483_100011217483 [0,1,0,0,0,0|2,0,1]=4 2109 B11R0.111 CCC(O)CNCCNC(=O)C 2230a_100000209853_100011218378 [0,1,0,0,0,0|2,0,1]=4 2110 B11R0.111 CCC(O)CNCCNC(=O)C 2230a_100011218483_100000189650 [0,1,0,0,0,0|2,0,1]=4 2111 B11R0.111 CCC(O)CNN=CC=C(C)C 4a_100015206393_100011215525 [0,1,0,0,0,0|3,0,0]=4 2112 B11R0.111 CCC(O)COCCCC(=O)C 34a_100000759063_100011218378 [0,1,0,0,0,0|1,0,2]=4 2113 B11R0.111 CCC(O)COCCCC(=O)C 7a_100000759063_100011218378 [0,1,0,0,0,0|1,0,2]=4 2114 B11R0.111 CCC(O)COCCNC(=O)C 34a_100000158858_100011218378 [0,1,0,0,0,0|2,0,1]=4 2115 B11R0.111 CCC(O)CSCCC=C(C)C 62a_100011217483_100011218378 [0,1,0,0,0,0|2,0,1]=4 2116 B11R0.111 CCC(O)CSCCC=C(C)C 62a_100011218378_100011217483 [0,1,0,0,0,0|2,0,1]=4 2117 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011215641_100011218378 [0,1,0,0,0,0|1,0,2]=4 2118 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011218378_100011215641 [0,1,0,0,0,0|1,0,2]=4 2119 B11R0.111 CCC(O)CSCCNC(=O)C 62a_100000189650_100011218378 [0,1,0,0,0,0|2,0,1]=4 2120 B11R0.111 CCC(O)CSCCNC(=O)C 62a_100011218378_100000189650 [0,1,0,0,0,0|2,0,1]=4 2121 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100009814007_100011218378 [0,1,0,0,0,0|2,0,1]=4 2122 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100011218378_100009814007 [0,1,0,0,0,0|2,0,1]=4 2123 B11R0.111 CCN(C)CCCCOC(=O)C 269982a_100000225621_100000033659 [0,1,0,0,0,0|2,0,1]=4 2124 B11R0.111 CCN(C)CCCCSC(=O)C 2230a_100000225621_200010402107 [0,1,0,0,0,0|2,0,1]=4 2125 B11R0.111 CCN(C)CCCCSC(=O)C 269982a_100000225621_200010402107 [0,1,0,0,0,0|2,0,1]=4 2126 B11R0.111 CC[C@H](C)CNCCNC(=O)C 2230a_100000209853_100009816398 [0,1,0,0,0,0|2,0,1]=4 2127 B11R0.111 CC[C@H](C)COCCC=C(C)C 7a_100009816381_100011217483 [0,1,0,0,0,0|2,0,1]=4 2128 B11R0.111 CC[C@H](C)COCCCC(=O)C 34a_100000759063_100009816398 [0,1,0,0,0,0|1,0,2]=4 2129 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100000759063_100009816398 [0,1,0,0,0,0|1,0,2]=4 2130 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100009816381_100011215641 [0,1,0,0,0,0|1,0,2]=4 2131 B11R0.111 CC[C@H](C)COCCNC(=O)C 34a_100000158858_100009816398 [0,1,0,0,0,0|2,0,1]=4 2132 B11R0.111 CC[C@H](C)COCCNC(=O)C 7a_100009816381_100000189650 [0,1,0,0,0,0|2,0,1]=4 2133 B11R0.111 CC[C@H](C)COCCOC(=O)C 7a_100009816381_100009814007 [0,1,0,0,0,0|2,0,1]=4 2134 B11R0.111 CC[C@H](C)CSCCC=C(C)C 62a_100009816398_100011217483 [0,1,0,0,0,0|2,0,1]=4 2135 B11R0.111 CC[C@H](C)CSCCC=C(C)C 62a_100011217483_100009816398 [0,1,0,0,0,0|2,0,1]=4 2136 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100009816398_100011215641 [0,1,0,0,0,0|1,0,2]=4 2137 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100011215641_100009816398 [0,1,0,0,0,0|1,0,2]=4 2138 B11R0.111 CC[C@H](C)CSCCNC(=O)C 62a_100000189650_100009816398 [0,1,0,0,0,0|2,0,1]=4 2139 B11R0.111 CC[C@H](C)CSCCNC(=O)C 62a_100009816398_100000189650 [0,1,0,0,0,0|2,0,1]=4 2140 B11R0.111 CC[C@H](C)CSCCOC(=O)C 62a_100009814007_100009816398 [0,1,0,0,0,0|2,0,1]=4 2141 B11R0.111 CC[C@H](C)CSCCOC(=O)C 62a_100009816398_100009814007 [0,1,0,0,0,0|2,0,1]=4 2142 B11R0.147 C=C(C)COCC(C)CCCC 34a_100011995851_100000748629 [0,1,0,0,0,0|2,0,1]=4 2143 B11R0.147 C=C(C)COCC(C)CCCC 7a_100011995851_100000748629 [0,1,0,0,0,0|2,0,1]=4 2144 B11R0.147 C=C(C)COC[C@@H](N)CCCC 34a_100011934283_100000748629 [0,1,0,0,0,0|2,0,1]=4 2145 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 34a_100000017536_200025704644 [0,1,0,0,0,0|2,0,1]=4 2146 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 7a_100000017536_200025704644 [0,1,0,0,0,0|2,0,1]=4 2147 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_100009814015_200025704644 [0,1,0,0,0,0|2,0,1]=4 2148 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_200025704644_100009814015 [0,1,0,0,0,0|2,0,1]=4 2149 B11R0.147 CCCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210211 [0,1,0,0,0,0|1,0,2]=4 2150 B11R0.147 CCCCC(=O)CCC=C(C)C 1458a_100000210183_100011217483 [0,1,0,0,0,0|1,0,2]=4 2151 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [0,1,0,0,0,0|0,0,3]=4 2152 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210211 [0,1,0,0,0,0|1,0,2]=4 2153 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000210183_100000189650 [0,1,0,0,0,0|1,0,2]=4 2154 B11R0.147 CCCCC(=O)CCOC(=O)C 1458a_100000210183_100009814007 [0,1,0,0,0,0|1,0,2]=4 2155 B11R0.147 CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210211 [0,1,0,0,0,0|1,0,2]=4 2156 B11R0.147 CCCCC(C)COCC(=O)N 34a_100011995851_100000187820 [0,1,0,0,0,0|2,0,1]=4 2157 B11R0.147 CCCCC(C)COCC(=O)N 7a_100011995851_100000187820 [0,1,0,0,0,0|2,0,1]=4 2158 B11R0.147 CCCCC(C)COCC(=O)[O-] 34a_100011995851_100020667443 [0,1,0,0,0,0|2,0,1]=4 2159 B11R0.147 CCCCC(C)NCC=C(C)C 2230a_100000126638_100000761012 [0,1,0,0,0,0|2,0,1]=4 2160 B11R0.147 CCCCC(C)NCC=C(C)C 270004a_100000718196_100000210087 [0,1,0,0,0,0|2,0,1]=4 2161 B11R0.147 CCCCC(C)NCC=C(C)C 34a_100000718196_200011215066 [0,1,0,0,0,0|2,0,1]=4 2162 B11R0.147 CCCCC(C)OCC=C(C)C 34a_100000687866_100000761012 [0,1,0,0,0,0|2,0,1]=4 2163 B11R0.147 CCCCC(C)OCC=C(C)C 34a_100000753907_200011215066 [0,1,0,0,0,0|2,0,1]=4 2164 B11R0.147 CCCCC(C)OCC=C(C)C 7a_100000687866_100000761012 [0,1,0,0,0,0|2,0,1]=4 2165 B11R0.147 CCCCC(C)OCCC(=O)C 34a_100000759926_200011215066 [0,1,0,0,0,0|1,0,2]=4 2166 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000687866_100000053229 [0,1,0,0,0,0|1,0,2]=4 2167 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000759926_200011215066 [0,1,0,0,0,0|1,0,2]=4 2168 B11R0.147 CCCCC(C)OCOC(=O)C 34a_100000687866_100009813279 [0,1,0,0,0,0|2,0,1]=4 2169 B11R0.147 CCCCC(C)SCC=C(C)C 62a_100000761012_200011215066 [0,1,0,0,0,0|2,0,1]=4 2170 B11R0.147 CCCCC(C)SCC=C(C)C 62a_200011215066_100000761012 [0,1,0,0,0,0|2,0,1]=4 2171 B11R0.147 CCCCC(C)SCCC(=O)C 62a_100000053229_200011215066 [0,1,0,0,0,0|1,0,2]=4 2172 B11R0.147 CCCCC(C)SCCC(=O)C 62a_200011215066_100000053229 [0,1,0,0,0,0|1,0,2]=4 2173 B11R0.147 CCCCC(C)SCOC(=O)C 62a_100000076356_200011215066 [0,1,0,0,0,0|2,0,1]=4 2174 B11R0.147 CCCCC(C)SCOC(=O)C 62a_200011215066_100000076356 [0,1,0,0,0,0|2,0,1]=4 2175 B11R0.147 CCCCN(C)CCC=C(C)C 2230a_100000207549_100011217483 [0,1,0,0,0,0|2,0,1]=4 2176 B11R0.147 CCCCN(C)CCC=C(C)C 269982a_100000207549_100011217483 [0,1,0,0,0,0|2,0,1]=4 2177 B11R0.147 CCCCN(C)CCCC(=O)C 269982a_100000207549_100011215641 [0,1,0,0,0,0|1,0,2]=4 2178 B11R0.147 CCCCN(C)CCNC(=O)C 1626a_200000754967_100015343762 [0,1,0,0,0,0|2,0,1]=4 2179 B11R0.147 CCCCN(C)CCNC(=O)C 2230a_100000207549_100000189650 [0,1,0,0,0,0|2,0,1]=4 2180 B11R0.147 CCCCN(C)CCNC(=O)C 240690a_200000754967_100015343762 [0,1,0,0,0,0|2,0,1]=4 2181 B11R0.147 CCCCN(C)CCNC(=O)C 269982a_100000207549_100000189650 [0,1,0,0,0,0|2,0,1]=4 2182 B11R0.147 CCCCN(C)CCNC(=O)C 527a_200000754967_100103153847 [0,1,0,0,0,0|2,0,1]=4 2183 B11R0.147 CCCCN(C)CCOC(=O)C 269982a_100000207549_100009814007 [0,1,0,0,0,0|2,0,1]=4 2184 B11R0.147 CCCC[C@H](N)COCC(=O)N 34a_100011934283_100000187820 [0,1,0,0,0,0|2,0,1]=4 2185 B11R0.147 CCCC[C@H](N)COCC(=O)[O-] 34a_100011934283_100020667443 [0,1,0,0,0,0|2,0,1]=4 2186 B11R0.147 CCCNC(C)CCC=C(C)C 270004a_100020643023_100000765506 [0,1,0,0,0,0|2,0,1]=4 2187 B11R0.147 CCCOC(C)CCC=C(C)C 34a_100102619829_100000210303 [0,1,0,0,0,0|2,0,1]=4 2188 B11R0.147 CCCOC(C)CCC=C(C)C 7a_100102619829_100000210303 [0,1,0,0,0,0|2,0,1]=4 2189 B11R0.147 CCNCC(C)CCC=C(C)C 270004a_100015525214_100000033009 [0,1,0,0,0,0|2,0,1]=4 2190 B11R0.147 CNCCC(C)CCC=C(C)C 2230a_106832991635_100009814015 [0,1,0,0,0,0|2,0,1]=4 2191 B11R0.147 CNCCC(C)CCC=C(C)C 269862a_106832991636_100000212096 [0,1,0,0,0,0|2,0,1]=4 2192 B11R0.147 CNCCC(C)CCC=C(C)C 270004a_106832991635_100000212096 [0,1,0,0,0,0|2,0,1]=4 2193 B11R0.147 CNCCC(C)CCC=C(C)C 34a_100102657272_100009814015 [0,1,0,0,0,0|2,0,1]=4 2194 B11R0.147 CNCCC(C)CCC=C(C)C 7a_106832991635_100009814015 [0,1,0,0,0,0|2,0,1]=4 2195 B11R0.147 COCCC(C)CCC=C(C)C 34a_100000017536_200000210301 [0,1,0,0,0,0|2,0,1]=4 2196 B11R0.147 COCCC(C)CCC=C(C)C 34a_100138415774_100009814015 [0,1,0,0,0,0|2,0,1]=4 2197 B11R0.147 COCCC(C)CCC=C(C)C 7a_100000017536_200000210301 [0,1,0,0,0,0|2,0,1]=4 2198 B11R0.147 CSCCC(C)CCC=C(C)C 62a_100009814015_200000210301 [0,1,0,0,0,0|2,0,1]=4 2199 B11R0.147 CSCCC(C)CCC=C(C)C 62a_200000210301_100009814015 [0,1,0,0,0,0|2,0,1]=4 2200 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [0,1,0,0,0,0|0,0,3]=4 2201 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [0,1,0,0,0,0|0,0,3]=4 2202 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [0,1,0,0,0,0|0,0,3]=4 2203 B11R0.148 C#CCCCCCOCC(=O)C 34a_100000211253_100012094781 [0,1,0,0,0,0|1,0,2]=4 2204 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [0,1,0,0,0,0|1,0,2]=4 2205 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [0,1,0,0,0,0|1,0,2]=4 2206 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [0,1,0,0,0,0|1,0,2]=4 2207 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [0,1,0,0,0,0|1,0,2]=4 2208 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [0,1,0,0,0,0|1,0,2]=4 2209 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [0,1,0,0,0,0|1,0,2]=4 2210 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [0,1,0,0,0,0|1,0,2]=4 2211 B11R0.148 C=C(C)CNCCCCCCO 2230a_100000686447_100000748629 [0,1,0,0,0,0|2,0,1]=4 2212 B11R0.148 C=C(C)CNCCCCCCO 34a_100000686447_100000748629 [0,1,0,0,0,0|2,0,1]=4 2213 B11R0.148 C=C(C)CNCCCCCOC 2230a_100000747528_100000748629 [0,1,0,0,0,0|2,0,1]=4 2214 B11R0.148 C=C(C)CNCCCCCOC 34a_100000747528_100000748629 [0,1,0,0,0,0|2,0,1]=4 2215 B11R0.148 C=C(C)CNCCCOCCC 2230a_100011217757_100000748629 [0,1,0,0,0,0|2,0,1]=4 2216 B11R0.148 C=C(C)CNCCCOCCC 34a_100011217757_100000748629 [0,1,0,0,0,0|2,0,1]=4 2217 B11R0.148 C=C(C)CNCCSCCCC 2230a_100025743550_100000748629 [0,1,0,0,0,0|2,0,1]=4 2218 B11R0.148 C=C(C)COCCCCCCBr 34a_100011215345_100000748629 [0,1,0,0,0,0|2,0,1]=4 2219 B11R0.148 C=C(C)COCCCCCCBr 7a_100011215345_100000748629 [0,1,0,0,0,0|2,0,1]=4 2220 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [0,1,0,0,0,0|1,0,2]=4 2221 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [0,1,0,0,0,0|1,0,2]=4 2222 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [0,1,0,0,0,0|1,0,2]=4 2223 B11R0.148 C=C(C)COCCCCCCCl 34a_100000766143_100000748629 [0,1,0,0,0,0|2,0,1]=4 2224 B11R0.148 C=C(C)COCCCCCCCl 7a_100000766143_100000748629 [0,1,0,0,0,0|2,0,1]=4 2225 B11R0.148 C=C(C)COCCCCCCF 34a_100000210245_100015922095 [0,1,0,0,0,0|2,0,1]=4 2226 B11R0.148 C=C(C)COCCCCCCF 34a_100000732779_100000748629 [0,1,0,0,0,0|2,0,1]=4 2227 B11R0.148 C=C(C)COCCCCCCF 7a_100000732779_100000748629 [0,1,0,0,0,0|2,0,1]=4 2228 B11R0.148 C=C(C)COCCCCCCN 34a_100000686447_100000748629 [0,1,0,0,0,0|2,0,1]=4 2229 B11R0.148 C=C(C)COCCCCCCO 34a_100000210245_100000766143 [0,1,0,0,0,0|2,0,1]=4 2230 B11R0.148 C=C(C)COCCCCCNC 34a_100000722520_100000748629 [0,1,0,0,0,0|2,0,1]=4 2231 B11R0.148 C=C(C)COCCOCCCC 34a_100000210238_100000748629 [0,1,0,0,0,0|2,0,1]=4 2232 B11R0.148 C=C(C)COCCOCCCC 34a_100000210245_100000743108 [0,1,0,0,0,0|2,0,1]=4 2233 B11R0.148 C=C(C)COCCOCCCC 7a_100000210238_100000748629 [0,1,0,0,0,0|2,0,1]=4 2234 B11R0.148 C=C(C)COCCSCCCC 34a_200000230436_100000748629 [0,1,0,0,0,0|2,0,1]=4 2235 B11R0.148 C=C(C)COCCSCCCC 7a_200000230436_100000748629 [0,1,0,0,0,0|2,0,1]=4 2236 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [0,1,0,0,0,0|1,0,2]=4 2237 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [0,1,0,0,0,0|1,0,2]=4 2238 B11R0.148 C=C(C)CSCCCCCCF 62a_100000748629_100015922095 [0,1,0,0,0,0|2,0,1]=4 2239 B11R0.148 C=C(C)CSCCCCCCF 62a_100015922095_100000211660 [0,1,0,0,0,0|2,0,1]=4 2240 B11R0.148 C=C(C)CSCCCCCCO 62a_100000748629_100000766143 [0,1,0,0,0,0|2,0,1]=4 2241 B11R0.148 C=C(C)CSCCCCCCO 62a_100000766143_100000211660 [0,1,0,0,0,0|2,0,1]=4 2242 B11R0.148 C=C(C)CSCCOCCCC 62a_100000743108_100000211660 [0,1,0,0,0,0|2,0,1]=4 2243 B11R0.148 C=C(C)CSCCOCCCC 62a_100000748629_100000743108 [0,1,0,0,0,0|2,0,1]=4 2244 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [0,1,0,0,0,0|0,0,3]=4 2245 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [0,1,0,0,0,0|0,0,3]=4 2246 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [0,1,0,0,0,0|0,0,3]=4 2247 B11R0.148 C=CCCCCCOCC(=O)C 34a_100000211253_100000700193 [0,1,0,0,0,0|1,0,2]=4 2248 B11R0.148 CC(=CCCNCCCCO)C 2230a_100000750430_100011217483 [0,1,0,0,0,0|2,0,1]=4 2249 B11R0.148 CC(=CCCNCCCCO)C 34a_100000750430_100011217483 [0,1,0,0,0,0|2,0,1]=4 2250 B11R0.148 CC(=CCCOCCCCBr)C 34a_100011216708_100011217483 [0,1,0,0,0,0|2,0,1]=4 2251 B11R0.148 CC(=CCCOCCCCCl)C 34a_100000210776_100011217483 [0,1,0,0,0,0|2,0,1]=4 2252 B11R0.148 CC(=CCCOCCCCCl)C 7a_100000210776_100011217483 [0,1,0,0,0,0|2,0,1]=4 2253 B11R0.148 CC(=CCCOCCCCF)C 34a_100011995726_100011217483 [0,1,0,0,0,0|2,0,1]=4 2254 B11R0.148 CC(=CCCOCCCCF)C 7a_100011995726_100011217483 [0,1,0,0,0,0|2,0,1]=4 2255 B11R0.148 CC(=CCCOCCCCI)C 34a_200012148704_100011217483 [0,1,0,0,0,0|2,0,1]=4 2256 B11R0.148 CC(=CCCOCCCCN)C 34a_100000750430_100011217483 [0,1,0,0,0,0|2,0,1]=4 2257 B11R0.148 CC(=CCCSCCCCF)C 62a_100000729493_100011217483 [0,1,0,0,0,0|2,0,1]=4 2258 B11R0.148 CC(=CCCSCCCCF)C 62a_100011217483_100000729493 [0,1,0,0,0,0|2,0,1]=4 2259 B11R0.148 CC(=CCCSCCCCO)C 62a_100000210776_100011217483 [0,1,0,0,0,0|2,0,1]=4 2260 B11R0.148 CC(=CCCSCCCCO)C 62a_100011217483_100000210776 [0,1,0,0,0,0|2,0,1]=4 2261 B11R0.148 CC(=CCNCCCCCF)C 34a_100000718196_100000729378 [0,1,0,0,0,0|2,0,1]=4 2262 B11R0.148 CC(=CCNCCCCCO)C 2230a_100000762737_100000761012 [0,1,0,0,0,0|2,0,1]=4 2263 B11R0.148 CC(=CCNCCCCCO)C 34a_100000718196_100000746330 [0,1,0,0,0,0|2,0,1]=4 2264 B11R0.148 CC(=CCNCCCCCO)C 34a_100000762737_100000761012 [0,1,0,0,0,0|2,0,1]=4 2265 B11R0.148 CC(=CCOCCCCCBr)C 34a_100000746331_100000761012 [0,1,0,0,0,0|2,0,1]=4 2266 B11R0.148 CC(=CCOCCCCCBr)C 7a_100000746331_100000761012 [0,1,0,0,0,0|2,0,1]=4 2267 B11R0.148 CC(=CCOCCCCCCl)C 34a_100000746330_100000761012 [0,1,0,0,0,0|2,0,1]=4 2268 B11R0.148 CC(=CCOCCCCCCl)C 7a_100000746330_100000761012 [0,1,0,0,0,0|2,0,1]=4 2269 B11R0.148 CC(=CCOCCCCCF)C 34a_100000753907_100000729378 [0,1,0,0,0,0|2,0,1]=4 2270 B11R0.148 CC(=CCOCCCCCI)C 34a_200012148887_100000761012 [0,1,0,0,0,0|2,0,1]=4 2271 B11R0.148 CC(=CCOCCCCCI)C 7a_200012148887_100000761012 [0,1,0,0,0,0|2,0,1]=4 2272 B11R0.148 CC(=CCOCCCCCN)C 34a_100000762737_100000761012 [0,1,0,0,0,0|2,0,1]=4 2273 B11R0.148 CC(=CCOCCCCCO)C 34a_100000753907_100000746330 [0,1,0,0,0,0|2,0,1]=4 2274 B11R0.148 CC(=CCSCCCCCF)C 62a_100000729378_100000761012 [0,1,0,0,0,0|2,0,1]=4 2275 B11R0.148 CC(=CCSCCCCCF)C 62a_100000761012_100000729378 [0,1,0,0,0,0|2,0,1]=4 2276 B11R0.148 CC(=CCSCCCCCO)C 62a_100000746330_100000761012 [0,1,0,0,0,0|2,0,1]=4 2277 B11R0.148 CC(=CCSCCCCCO)C 62a_100000761012_100000746330 [0,1,0,0,0,0|2,0,1]=4 2278 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,1,0,0,0,0|0,0,2]=3 2279 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [0,1,0,0,0,0|1,0,2]=4 2280 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [0,1,0,0,0,0|1,0,2]=4 2281 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [0,1,0,0,0,0|1,0,2]=4 2282 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [0,1,0,0,0,0|1,0,2]=4 2283 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [0,1,0,0,0,0|1,0,2]=4 2284 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [0,1,0,0,0,0|1,0,2]=4 2285 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [0,1,0,0,0,0|1,0,2]=4 2286 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [0,1,0,0,0,0|1,0,2]=4 2287 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [0,1,0,0,0,0|1,0,2]=4 2288 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [0,1,0,0,0,0|1,0,2]=4 2289 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [0,1,0,0,0,0|1,0,2]=4 2290 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [0,1,0,0,0,0|1,0,2]=4 2291 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [0,1,0,0,0,0|1,0,2]=4 2292 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [0,1,0,0,0,0|1,0,2]=4 2293 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [0,1,0,0,0,0|1,0,2]=4 2294 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [0,1,0,0,0,0|1,0,2]=4 2295 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [0,1,0,0,0,0|1,0,2]=4 2296 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [0,1,0,0,0,0|1,0,2]=4 2297 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [0,1,0,0,0,0|1,0,2]=4 2298 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [0,1,0,0,0,0|1,0,2]=4 2299 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [0,1,0,0,0,0|1,0,2]=4 2300 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [0,1,0,0,0,0|1,0,2]=4 2301 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [0,1,0,0,0,0|1,0,2]=4 2302 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [0,1,0,0,0,0|1,0,2]=4 2303 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [0,1,0,0,0,0|1,0,2]=4 2304 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [0,1,0,0,0,0|1,0,2]=4 2305 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [0,1,0,0,0,0|1,0,2]=4 2306 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [0,1,0,0,0,0|1,0,2]=4 2307 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [0,1,0,0,0,0|1,0,2]=4 2308 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [0,1,0,0,0,0|1,0,2]=4 2309 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [0,1,0,0,0,0|1,0,2]=4 2310 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [0,1,0,0,0,0|1,0,2]=4 2311 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [0,1,0,0,0,0|1,0,2]=4 2312 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [0,1,0,0,0,0|1,0,2]=4 2313 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [0,1,0,0,0,0|1,0,2]=4 2314 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [0,1,0,0,0,0|1,0,2]=4 2315 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [0,1,0,0,0,0|1,0,1]=3 2316 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [0,1,0,0,0,0|1,0,1]=3 2317 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [0,1,0,0,0,0|1,0,1]=3 2318 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [0,1,0,0,0,0|1,0,1]=3 2319 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [0,1,0,0,0,0|1,0,1]=3 2320 B11R0.148 CC(=O)NCCCCCNCF 34a_200012022750_100015361967 [0,1,0,0,0,0|2,0,1]=4 2321 B11R0.148 CC(=O)NCCCCNCCF 2230a_200011368371_100011217306 [0,1,0,0,0,0|2,0,1]=4 2322 B11R0.148 CC(=O)NCCCCNCCF 34a_200011368371_100011217306 [0,1,0,0,0,0|2,0,1]=4 2323 B11R0.148 CC(=O)NCCCCNCCO 2230a_200011368371_100000211926 [0,1,0,0,0,0|2,0,1]=4 2324 B11R0.148 CC(=O)NCCCCNCCO 34a_200011368371_100000211926 [0,1,0,0,0,0|2,0,1]=4 2325 B11R0.148 CC(=O)NCCCNCCCF 34a_100000736810_100011934791 [0,1,0,0,0,0|2,0,1]=4 2326 B11R0.148 CC(=O)NCCCNCCCO 34a_100000736810_100000230001 [0,1,0,0,0,0|2,0,1]=4 2327 B11R0.148 CC(=O)NCCCOCCCF 34a_100000752032_100011934791 [0,1,0,0,0,0|2,0,1]=4 2328 B11R0.148 CC(=O)NCCCOCCCO 240690a_100011310245_100015343762 [0,1,0,0,0,0|2,0,1]=4 2329 B11R0.148 CC(=O)NCCCOCCCO 34a_100000752032_100000230001 [0,1,0,0,0,0|2,0,1]=4 2330 B11R0.148 CC(=O)NCCNCCCCF 2230a_100000209853_100000729493 [0,1,0,0,0,0|2,0,1]=4 2331 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000209853_100000210776 [0,1,0,0,0,0|2,0,1]=4 2332 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000750430_100000189650 [0,1,0,0,0,0|2,0,1]=4 2333 B11R0.148 CC(=O)NCCOCCCCCl 7a_100000210776_100000189650 [0,1,0,0,0,0|2,0,1]=4 2334 B11R0.148 CC(=O)NCCOCCCCF 34a_100000158858_100000729493 [0,1,0,0,0,0|2,0,1]=4 2335 B11R0.148 CC(=O)NCCOCCCCF 7a_100011995726_100000189650 [0,1,0,0,0,0|2,0,1]=4 2336 B11R0.148 CC(=O)NCCOCCCCO 34a_100000158858_100011216708 [0,1,0,0,0,0|2,0,1]=4 2337 B11R0.148 CC(=O)NCCSCCCCF 62a_100000189650_100000729493 [0,1,0,0,0,0|2,0,1]=4 2338 B11R0.148 CC(=O)NCCSCCCCF 62a_100000729493_100000189650 [0,1,0,0,0,0|2,0,1]=4 2339 B11R0.148 CC(=O)NCCSCCCCO 62a_100000189650_100000210776 [0,1,0,0,0,0|2,0,1]=4 2340 B11R0.148 CC(=O)NCCSCCCCO 62a_100000210776_100000189650 [0,1,0,0,0,0|2,0,1]=4 2341 B11R0.148 CC(=O)OCCCCCSCF 62a_100000033007_100015361967 [0,1,0,0,0,0|2,0,1]=4 2342 B11R0.148 CC(=O)OCCCCCSCF 62a_100015361967_100000033007 [0,1,0,0,0,0|2,0,1]=4 2343 B11R0.148 CC(=O)OCCCCNCCF 34a_100000724931_100000033659 [0,1,0,0,0,0|2,0,1]=4 2344 B11R0.148 CC(=O)OCCCCNCCO 34a_100016990907_100000033659 [0,1,0,0,0,0|2,0,1]=4 2345 B11R0.148 CC(=O)OCCCCOCCBr 34a_100000211926_100000033659 [0,1,0,0,0,0|2,0,1]=4 2346 B11R0.148 CC(=O)OCCCCOCCF 34a_100000073216_100011217306 [0,1,0,0,0,0|2,0,1]=4 2347 B11R0.148 CC(=O)OCCCCOCCF 7a_100000073216_100011217306 [0,1,0,0,0,0|2,0,1]=4 2348 B11R0.148 CC(=O)OCCCCOCCN 34a_100000210304_100000033659 [0,1,0,0,0,0|2,0,1]=4 2349 B11R0.148 CC(=O)OCCCCOCCO 34a_100000073216_100000211926 [0,1,0,0,0,0|2,0,1]=4 2350 B11R0.148 CC(=O)OCCCCOCCO 7a_100000073216_100000211926 [0,1,0,0,0,0|2,0,1]=4 2351 B11R0.148 CC(=O)OCCCCSCCF 62a_100000033659_100011217306 [0,1,0,0,0,0|2,0,1]=4 2352 B11R0.148 CC(=O)OCCCCSCCF 62a_100011217306_100000033659 [0,1,0,0,0,0|2,0,1]=4 2353 B11R0.148 CC(=O)OCCCCSCCO 62a_100000033659_100000211926 [0,1,0,0,0,0|2,0,1]=4 2354 B11R0.148 CC(=O)OCCCCSCCO 62a_100000211926_100000033659 [0,1,0,0,0,0|2,0,1]=4 2355 B11R0.148 CC(=O)OCCCNCCCF 34a_100015189416_100000042594 [0,1,0,0,0,0|2,0,1]=4 2356 B11R0.148 CC(=O)OCCCOCCCBr 34a_100011217188_100000042594 [0,1,0,0,0,0|2,0,1]=4 2357 B11R0.148 CC(=O)OCCCOCCCCl 34a_100000230001_100000042594 [0,1,0,0,0,0|2,0,1]=4 2358 B11R0.148 CC(=O)OCCCOCCCF 34a_100000759539_100000042594 [0,1,0,0,0,0|2,0,1]=4 2359 B11R0.148 CC(=O)OCCCOCCCN 34a_100000182051_100000042594 [0,1,0,0,0,0|2,0,1]=4 2360 B11R0.148 CC(=O)OCCCSCCCF 62a_100000042594_100011934791 [0,1,0,0,0,0|2,0,1]=4 2361 B11R0.148 CC(=O)OCCCSCCCF 62a_100011934791_100000042594 [0,1,0,0,0,0|2,0,1]=4 2362 B11R0.148 CC(=O)OCCCSCCCO 62a_100000042594_100011215043 [0,1,0,0,0,0|2,0,1]=4 2363 B11R0.148 CC(=O)OCCCSCCCO 62a_100011215043_100000042594 [0,1,0,0,0,0|2,0,1]=4 2364 B11R0.148 CC(=O)OCCNCCCCO 34a_100000750430_100009814007 [0,1,0,0,0,0|2,0,1]=4 2365 B11R0.148 CC(=O)OCCOCCCCBr 34a_100011216708_100009814007 [0,1,0,0,0,0|2,0,1]=4 2366 B11R0.148 CC(=O)OCCOCCCCCl 34a_100000210776_100009814007 [0,1,0,0,0,0|2,0,1]=4 2367 B11R0.148 CC(=O)OCCOCCCCCl 7a_100000210776_100009814007 [0,1,0,0,0,0|2,0,1]=4 2368 B11R0.148 CC(=O)OCCOCCCCF 34a_100011995726_100009814007 [0,1,0,0,0,0|2,0,1]=4 2369 B11R0.148 CC(=O)OCCOCCCCF 7a_100011995726_100009814007 [0,1,0,0,0,0|2,0,1]=4 2370 B11R0.148 CC(=O)OCCOCCCCI 34a_200012148704_100009814007 [0,1,0,0,0,0|2,0,1]=4 2371 B11R0.148 CC(=O)OCCOCCCCN 34a_100000750430_100009814007 [0,1,0,0,0,0|2,0,1]=4 2372 B11R0.148 CC(=O)OCCSCCCCF 62a_100000729493_100009814007 [0,1,0,0,0,0|2,0,1]=4 2373 B11R0.148 CC(=O)OCCSCCCCF 62a_100009814007_100000729493 [0,1,0,0,0,0|2,0,1]=4 2374 B11R0.148 CC(=O)OCCSCCCCO 62a_100000210776_100009814007 [0,1,0,0,0,0|2,0,1]=4 2375 B11R0.148 CC(=O)OCCSCCCCO 62a_100009814007_100000210776 [0,1,0,0,0,0|2,0,1]=4 2376 B11R0.148 CC(=O)OCNCCCCCO 34a_100000762737_100009813279 [0,1,0,0,0,0|2,0,1]=4 2377 B11R0.148 CC(=O)OCOCCCCCBr 34a_100000746331_100009813279 [0,1,0,0,0,0|2,0,1]=4 2378 B11R0.148 CC(=O)OCOCCCCCCl 34a_100000746330_100009813279 [0,1,0,0,0,0|2,0,1]=4 2379 B11R0.148 CC(=O)OCOCCCCCI 34a_200012148887_100009813279 [0,1,0,0,0,0|2,0,1]=4 2380 B11R0.148 CC(=O)OCOCCCCCN 34a_100000762737_100009813279 [0,1,0,0,0,0|2,0,1]=4 2381 B11R0.148 CC(=O)OCSCCCCCF 62a_100000076356_100000729378 [0,1,0,0,0,0|2,0,1]=4 2382 B11R0.148 CC(=O)OCSCCCCCF 62a_100000729378_100000076356 [0,1,0,0,0,0|2,0,1]=4 2383 B11R0.148 CC(=O)OCSCCCCCO 62a_100000076356_100000746330 [0,1,0,0,0,0|2,0,1]=4 2384 B11R0.148 CC(=O)OCSCCCCCO 62a_100000746330_100000076356 [0,1,0,0,0,0|2,0,1]=4 2385 B11R0.148 CC(=O)SCCCCNCCF 34a_100000724931_200010402107 [0,1,0,0,0,0|2,0,1]=4 2386 B11R0.148 CC(=O)SCCCCNCCO 2230a_100016997473_200010402107 [0,1,0,0,0,0|2,0,1]=4 2387 B11R0.148 CC(=O)SCCCCNCCO 34a_100016990907_200010402107 [0,1,0,0,0,0|2,0,1]=4 2388 B11R0.148 CC(=O)SCCCCOCCBr 34a_100000211926_200010402107 [0,1,0,0,0,0|2,0,1]=4 2389 B11R0.148 CC(=O)SCCCCOCCN 34a_100000210304_200010402107 [0,1,0,0,0,0|2,0,1]=4 2390 B11R0.148 CC(=O)SCCCCSCCF 62a_100011217306_200010402107 [0,1,0,0,0,0|2,0,1]=4 2391 B11R0.148 CC(=O)SCCCCSCCF 62a_200010402107_100011217306 [0,1,0,0,0,0|2,0,1]=4 2392 B11R0.148 CC(=O)SCCCCSCCO 62a_100000211926_200010402107 [0,1,0,0,0,0|2,0,1]=4 2393 B11R0.148 CC(=O)SCCCCSCCO 62a_200010402107_100000211926 [0,1,0,0,0,0|2,0,1]=4 2394 B11R0.148 CC(=O)SCCCNCCCF 2230a_100015189416_100000038929 [0,1,0,0,0,0|2,0,1]=4 2395 B11R0.148 CC(=O)SCCCNCCCF 34a_100015189416_100000038929 [0,1,0,0,0,0|2,0,1]=4 2396 B11R0.148 CC(=O)SCCCOCCCBr 34a_100011217188_100000038929 [0,1,0,0,0,0|2,0,1]=4 2397 B11R0.148 CC(=O)SCCCOCCCCl 34a_100000230001_100000038929 [0,1,0,0,0,0|2,0,1]=4 2398 B11R0.148 CC(=O)SCCCOCCCF 34a_100000759539_100000038929 [0,1,0,0,0,0|2,0,1]=4 2399 B11R0.148 CC(=O)SCCCOCCCN 34a_100000182051_100000038929 [0,1,0,0,0,0|2,0,1]=4 2400 B11R0.148 CC(=O)SCCCSCCCF 62a_100000038929_100011934791 [0,1,0,0,0,0|2,0,1]=4 2401 B11R0.148 CC(=O)SCCCSCCCF 62a_100011934791_100000038929 [0,1,0,0,0,0|2,0,1]=4 2402 B11R0.148 CC(=O)SCCCSCCCO 62a_100000038929_100011215043 [0,1,0,0,0,0|2,0,1]=4 2403 B11R0.148 CC(=O)SCCCSCCCO 62a_100011215043_100000038929 [0,1,0,0,0,0|2,0,1]=4 2404 B11R0.148 CC/C=C\CCC=NNC(=O)C 4a_100000189765_100016279218 [0,1,0,0,0,0|1,0,2]=4 2405 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [0,1,0,0,0,0|0,0,3]=4 2406 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [0,1,0,0,0,0|0,0,2]=3 2407 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [0,1,0,0,0,0|0,0,2]=3 2408 B11R0.148 CCCCC=CC=NNC(=O)C 4a_100000189765_100016268198 [0,1,0,0,0,0|1,0,2]=4 2409 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [0,1,0,0,0,0|0,0,0]=1 2410 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [0,1,0,0,0,0|0,0,0]=1 2411 B11R0.148 CCCCCCC=NNC(=O)C 4a_100000189765_100000234349 [0,1,0,0,0,0|1,0,0]=2 2412 B11R0.148 CCCCCCC=NNC(C)C 4a_100000741168_100000234349 [0,1,0,0,0,0|2,0,1]=4 2413 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [0,1,0,0,0,0|0,0,0]=1 2414 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [0,1,0,0,0,0|0,0,0]=1 2415 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,1,0,0,0,0|0,0,2]=3 2416 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,1,0,0,0,0|0,0,2]=3 2417 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,1,0,0,0,0|0,0,2]=3 2418 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [0,1,0,0,0,0|0,0,2]=3 2419 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [0,1,0,0,0,0|0,0,2]=3 2420 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [0,1,0,0,0,0|0,0,2]=3 2421 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [0,1,0,0,0,0|0,0,2]=3 2422 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [0,1,0,0,0,0|1,0,2]=4 2423 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [0,1,0,0,0,0|1,0,2]=4 2424 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [0,1,0,0,0,0|1,0,2]=4 2425 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,1,0,0,0,0|0,0,2]=3 2426 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [0,1,0,0,0,0|1,0,2]=4 2427 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [0,1,0,0,0,0|1,0,2]=4 2428 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [0,1,0,0,0,0|1,0,2]=4 2429 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [0,1,0,0,0,0|1,0,2]=4 2430 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [0,1,0,0,0,0|1,0,2]=4 2431 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [0,1,0,0,0,0|1,0,2]=4 2432 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [0,1,0,0,0,0|1,0,2]=4 2433 B11R0.148 CCCCCCNCC=C(C)C 2230a_100000210581_100000761012 [0,1,0,0,0,0|1,0,1]=3 2434 B11R0.148 CCCCCCNCC=C(C)C 34a_100000718196_100000210314 [0,1,0,0,0,0|1,0,1]=3 2435 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [0,1,0,0,0,0|1,0,2]=4 2436 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [0,1,0,0,0,0|2,0,1]=4 2437 B11R0.148 CCCCCCOCC=C(C)C 34a_100000210259_100000761012 [0,1,0,0,0,0|1,0,1]=3 2438 B11R0.148 CCCCCCOCC=C(C)C 34a_100000753907_100000210314 [0,1,0,0,0,0|1,0,1]=3 2439 B11R0.148 CCCCCCOCC=C(C)C 7a_100000210259_100000761012 [0,1,0,0,0,0|1,0,1]=3 2440 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,1,0,0,0,0|0,0,2]=3 2441 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,1,0,0,0,0|0,0,2]=3 2442 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,1,0,0,0,0|0,0,2]=3 2443 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [0,1,0,0,0,0|1,0,2]=4 2444 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [0,1,0,0,0,0|1,0,2]=4 2445 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [0,1,0,0,0,0|1,0,2]=4 2446 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [0,1,0,0,0,0|1,0,2]=4 2447 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [0,1,0,0,0,0|1,0,1]=3 2448 B11R0.148 CCCCCCSCC=C(C)C 62a_100000210314_100000761012 [0,1,0,0,0,0|1,0,1]=3 2449 B11R0.148 CCCCCCSCC=C(C)C 62a_100000761012_100000210757 [0,1,0,0,0,0|1,0,1]=3 2450 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [0,1,0,0,0,0|0,0,2]=3 2451 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [0,1,0,0,0,0|0,0,2]=3 2452 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [0,1,0,0,0,0|1,0,2]=4 2453 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [0,1,0,0,0,0|1,0,2]=4 2454 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [0,1,0,0,0,0|1,0,1]=3 2455 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [0,1,0,0,0,0|1,0,1]=3 2456 B11R0.148 CCCCCNC/C=C/B(O)O 2230a_100000209983_100016262062 [0,1,0,0,0,0|2,0,1]=4 2457 B11R0.148 CCCCCNCCC=C(C)C 2230a_100000209983_100011217483 [0,1,0,0,0,0|1,0,1]=3 2458 B11R0.148 CCCCCNCCC=C(F)F 2230a_100000209983_200009816681 [0,1,0,0,0,0|2,0,1]=4 2459 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [0,1,0,0,0,0|1,0,2]=4 2460 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [0,1,0,0,0,0|1,0,2]=4 2461 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [0,1,0,0,0,0|1,0,1]=3 2462 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [0,1,0,0,0,0|1,0,1]=3 2463 B11R0.148 CCCCCNCCNC(=O)N 2230a_100000209983_200000034859 [0,1,0,0,0,0|2,0,1]=4 2464 B11R0.148 CCCCCNCCNC(=O)N 34a_100020590234_100000718602 [0,1,0,0,0,0|2,0,1]=4 2465 B11R0.148 CCCCCNN=CC=C(C)C 4a_100000694160_100011215525 [0,1,0,0,0,0|2,0,0]=3 2466 B11R0.148 CCCCCOC/C=C/B(O)O 34a_100000210253_100016262062 [0,1,0,0,0,0|2,0,1]=4 2467 B11R0.148 CCCCCOC/C=C/B(O)O 7a_100000210253_100016262062 [0,1,0,0,0,0|2,0,1]=4 2468 B11R0.148 CCCCCOCCC=C(C)C 34a_100000210253_100011217483 [0,1,0,0,0,0|1,0,1]=3 2469 B11R0.148 CCCCCOCCC=C(C)C 7a_100000210253_100011217483 [0,1,0,0,0,0|1,0,1]=3 2470 B11R0.148 CCCCCOCCC=C(F)F 34a_100000210253_200009816681 [0,1,0,0,0,0|2,0,1]=4 2471 B11R0.148 CCCCCOCCC=C(F)F 7a_100000210253_200009816681 [0,1,0,0,0,0|2,0,1]=4 2472 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [0,1,0,0,0,0|0,0,2]=3 2473 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [0,1,0,0,0,0|0,0,2]=3 2474 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [0,1,0,0,0,0|0,0,2]=3 2475 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [0,1,0,0,0,0|0,0,2]=3 2476 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [0,1,0,0,0,0|1,0,2]=4 2477 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [0,1,0,0,0,0|1,0,2]=4 2478 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [0,1,0,0,0,0|1,0,1]=3 2479 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [0,1,0,0,0,0|1,0,1]=3 2480 B11R0.148 CCCCCOCCNC(=O)N 34a_100000181757_100000718602 [0,1,0,0,0,0|2,0,1]=4 2481 B11R0.148 CCCCCOCCNC(=O)N 7a_100000210253_200000034859 [0,1,0,0,0,0|2,0,1]=4 2482 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [0,1,0,0,0,0|1,0,1]=3 2483 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [0,1,0,0,0,0|1,0,1]=3 2484 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [0,1,0,0,0,0|2,0,1]=4 2485 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [0,1,0,0,0,0|2,0,1]=4 2486 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [0,1,0,0,0,0|2,0,1]=4 2487 B11R0.148 CCCCCSC/C=C/B(O)O 62a_100000210326_100016262062 [0,1,0,0,0,0|2,0,1]=4 2488 B11R0.148 CCCCCSC/C=C/B(O)O 62a_100016262062_100000210326 [0,1,0,0,0,0|2,0,1]=4 2489 B11R0.148 CCCCCSCCC=C(C)C 62a_100000210326_100011217483 [0,1,0,0,0,0|1,0,1]=3 2490 B11R0.148 CCCCCSCCC=C(C)C 62a_100011217483_100000210326 [0,1,0,0,0,0|1,0,1]=3 2491 B11R0.148 CCCCCSCCC=C(F)F 62a_100000210326_200009816681 [0,1,0,0,0,0|2,0,1]=4 2492 B11R0.148 CCCCCSCCC=C(F)F 62a_200009816681_100000210326 [0,1,0,0,0,0|2,0,1]=4 2493 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [0,1,0,0,0,0|0,0,2]=3 2494 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [0,1,0,0,0,0|0,0,2]=3 2495 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [0,1,0,0,0,0|1,0,2]=4 2496 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [0,1,0,0,0,0|1,0,2]=4 2497 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [0,1,0,0,0,0|1,0,1]=3 2498 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [0,1,0,0,0,0|1,0,1]=3 2499 B11R0.148 CCCCCSCCNC(=O)N 62a_100000210326_200000034859 [0,1,0,0,0,0|2,0,1]=4 2500 B11R0.148 CCCCCSCCNC(=O)N 62a_200000034859_100000210326 [0,1,0,0,0,0|2,0,1]=4 2501 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [0,1,0,0,0,0|1,0,1]=3 2502 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [0,1,0,0,0,0|1,0,1]=3 2503 B11R0.148 CCCCCSCCOC(=O)N 62a_100000210326_200011214921 [0,1,0,0,0,0|2,0,1]=4 2504 B11R0.148 CCCCCSCCOC(=O)N 62a_200011214921_100000210326 [0,1,0,0,0,0|2,0,1]=4 2505 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [0,1,0,0,0,0|0,0,2]=3 2506 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [0,1,0,0,0,0|1,0,2]=4 2507 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [0,1,0,0,0,0|1,0,1]=3 2508 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [0,1,0,0,0,0|1,0,1]=3 2509 B11R0.148 CCCCNCCCOC(=S)C 2230a_100000102301_200135323944 [0,1,0,0,0,0|1,1,1]=4 2510 B11R0.148 CCCCNCCCOC(=S)C 7a_106832991798_200135323944 [0,1,0,0,0,0|1,1,1]=4 2511 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [0,1,0,0,0,0|1,0,1]=3 2512 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [0,1,0,0,0,0|1,0,1]=3 2513 B11R0.148 CCCCNCCOCC(=O)N 2230a_100000102301_100000076697 [0,1,0,0,0,0|2,0,1]=4 2514 B11R0.148 CCCCNCCOCC(=O)N 7a_106832991798_100000076697 [0,1,0,0,0,0|2,0,1]=4 2515 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [0,1,0,0,0,0|2,0,1]=4 2516 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [0,1,0,0,0,0|0,0,2]=3 2517 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [0,1,0,0,0,0|0,0,2]=3 2518 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [0,1,0,0,0,0|1,0,2]=4 2519 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [0,1,0,0,0,0|1,0,2]=4 2520 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [0,1,0,0,0,0|1,0,1]=3 2521 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [0,1,0,0,0,0|1,0,1]=3 2522 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [0,1,0,0,0,0|1,0,1]=3 2523 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [0,1,0,0,0,0|1,0,1]=3 2524 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [0,1,0,0,0,0|1,0,1]=3 2525 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [0,1,0,0,0,0|1,0,1]=3 2526 B11R0.148 CCCCOCCCOC(=S)C 34a_100000210227_200135323944 [0,1,0,0,0,0|1,1,1]=4 2527 B11R0.148 CCCCOCCCOC(=S)C 7a_100000210227_200135323944 [0,1,0,0,0,0|1,1,1]=4 2528 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [0,1,0,0,0,0|1,0,1]=3 2529 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [0,1,0,0,0,0|1,0,1]=3 2530 B11R0.148 CCCCOCCNCC(=O)N 2230a_100000711301_100000743108 [0,1,0,0,0,0|2,0,1]=4 2531 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [0,1,0,0,0,0|2,0,1]=4 2532 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [0,1,0,0,0,0|1,0,1]=3 2533 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [0,1,0,0,0,0|1,0,1]=3 2534 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210227_100000076697 [0,1,0,0,0,0|2,0,1]=4 2535 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210238_100000187820 [0,1,0,0,0,0|2,0,1]=4 2536 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210227_100000076697 [0,1,0,0,0,0|2,0,1]=4 2537 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210238_100000187820 [0,1,0,0,0,0|2,0,1]=4 2538 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [0,1,0,0,0,0|1,0,1]=3 2539 B11R0.148 CCCCOCCOCC(=O)[O-] 34a_100000210238_100020667443 [0,1,0,0,0,0|2,0,1]=4 2540 B11R0.148 CCCCOCCSCC(=O)N 62a_100000743108_100000747473 [0,1,0,0,0,0|2,0,1]=4 2541 B11R0.148 CCCCOCCSCC(=O)N 62a_100000747473_100000743108 [0,1,0,0,0,0|2,0,1]=4 2542 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100000743108_100020667443 [0,1,0,0,0,0|2,0,1]=4 2543 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100020667443_100000743108 [0,1,0,0,0,0|2,0,1]=4 2544 B11R0.148 CCCCOCNCC=C(C)C 34a_100000718196_100011995733 [0,1,0,0,0,0|2,0,1]=4 2545 B11R0.148 CCCCOCOCC=C(C)C 34a_100000753907_100011995733 [0,1,0,0,0,0|2,0,1]=4 2546 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [0,1,0,0,0,0|1,0,2]=4 2547 B11R0.148 CCCCOCSCC=C(C)C 62a_100000761012_100011995733 [0,1,0,0,0,0|2,0,1]=4 2548 B11R0.148 CCCCOCSCC=C(C)C 62a_100011995733_100000761012 [0,1,0,0,0,0|2,0,1]=4 2549 B11R0.148 CCCCOCSCCC(=O)C 62a_100000053229_100011995733 [0,1,0,0,0,0|1,0,2]=4 2550 B11R0.148 CCCCOCSCCC(=O)C 62a_100011995733_100000053229 [0,1,0,0,0,0|1,0,2]=4 2551 B11R0.148 CCCCOCSCOC(=O)C 62a_100000076356_100011995733 [0,1,0,0,0,0|2,0,1]=4 2552 B11R0.148 CCCCOCSCOC(=O)C 62a_100011995733_100000076356 [0,1,0,0,0,0|2,0,1]=4 2553 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [0,1,0,0,0,0|0,0,2]=3 2554 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [0,1,0,0,0,0|0,0,2]=3 2555 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [0,1,0,0,0,0|1,0,1]=3 2556 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [0,1,0,0,0,0|1,0,1]=3 2557 B11R0.148 CCCCSCCCOC(=S)C 62a_100000210211_200135323944 [0,1,0,0,0,0|1,1,1]=4 2558 B11R0.148 CCCCSCCCOC(=S)C 62a_200135323944_100000210210 [0,1,0,0,0,0|1,1,1]=4 2559 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [0,1,0,0,0,0|1,0,1]=3 2560 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [0,1,0,0,0,0|1,0,1]=3 2561 B11R0.148 CCCCSCCNCC(=O)N 2230a_100025743550_100000747473 [0,1,0,0,0,0|2,0,1]=4 2562 B11R0.148 CCCCSCCOCC(=O)N 34a_200000230436_100000187820 [0,1,0,0,0,0|2,0,1]=4 2563 B11R0.148 CCCCSCCOCC(=O)N 62a_100000076697_100000210210 [0,1,0,0,0,0|2,0,1]=4 2564 B11R0.148 CCCCSCCOCC(=O)N 62a_100000210211_100000076697 [0,1,0,0,0,0|2,0,1]=4 2565 B11R0.148 CCCCSCCOCC(=O)N 7a_200000230436_100000187820 [0,1,0,0,0,0|2,0,1]=4 2566 B11R0.148 CCCCSCCOCC(=O)[O-] 34a_200000230436_100020667443 [0,1,0,0,0,0|2,0,1]=4 2567 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [0,1,0,0,0,0|1,0,1]=3 2568 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [0,1,0,0,0,0|1,0,1]=3 2569 B11R0.148 CCCOCCC/C=C/B(O)O 34a_100000210258_200016261450 [0,1,0,0,0,0|2,0,1]=4 2570 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [0,1,0,0,0,0|1,0,2]=4 2571 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [0,1,0,0,0,0|1,0,2]=4 2572 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [0,1,0,0,0,0|1,0,2]=4 2573 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [0,1,0,0,0,0|1,0,2]=4 2574 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [0,1,0,0,0,0|1,0,1]=3 2575 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [0,1,0,0,0,0|1,0,1]=3 2576 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [0,1,0,0,0,0|1,0,1]=3 2577 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [0,1,0,0,0,0|1,0,1]=3 2578 B11R0.148 CCCOCCCNCC(=O)N 2230a_100011217757_100000747473 [0,1,0,0,0,0|2,0,1]=4 2579 B11R0.148 CCCOCCCNCC(=O)N 34a_100011217757_100000187820 [0,1,0,0,0,0|2,0,1]=4 2580 B11R0.148 CCCOCCCNCC(=O)[O-] 34a_100011217757_100020667443 [0,1,0,0,0,0|2,0,1]=4 2581 B11R0.148 CCCOCCNCC=C(C)C 2230a_100161115042_100000761012 [0,1,0,0,0,0|2,0,1]=4 2582 B11R0.148 CCCOCCNCC=C(C)C 34a_100000718196_100011215938 [0,1,0,0,0,0|2,0,1]=4 2583 B11R0.148 CCCOCCNCC=C(C)C 34a_100161115042_100000761012 [0,1,0,0,0,0|2,0,1]=4 2584 B11R0.148 CCCOCCNCOC(=O)C 34a_100161115042_100009813279 [0,1,0,0,0,0|2,0,1]=4 2585 B11R0.148 CCCOCCOCC=C(C)C 34a_100000752267_100000761012 [0,1,0,0,0,0|2,0,1]=4 2586 B11R0.148 CCCOCCOCC=C(C)C 34a_100000753907_100011215938 [0,1,0,0,0,0|2,0,1]=4 2587 B11R0.148 CCCOCCOCC=C(C)C 7a_100000752267_100000761012 [0,1,0,0,0,0|2,0,1]=4 2588 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [0,1,0,0,0,0|1,0,2]=4 2589 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [0,1,0,0,0,0|1,0,2]=4 2590 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [0,1,0,0,0,0|1,0,2]=4 2591 B11R0.148 CCCOCCOCOC(=O)C 34a_100000752267_100009813279 [0,1,0,0,0,0|2,0,1]=4 2592 B11R0.148 CCCOCCSCC=C(C)C 62a_100000761012_100011215938 [0,1,0,0,0,0|2,0,1]=4 2593 B11R0.148 CCCOCCSCC=C(C)C 62a_100011215938_100000761012 [0,1,0,0,0,0|2,0,1]=4 2594 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [0,1,0,0,0,0|1,0,2]=4 2595 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [0,1,0,0,0,0|1,0,2]=4 2596 B11R0.148 CCCOCCSCOC(=O)C 62a_100000076356_100011215938 [0,1,0,0,0,0|2,0,1]=4 2597 B11R0.148 CCCOCCSCOC(=O)C 62a_100011215938_100000076356 [0,1,0,0,0,0|2,0,1]=4 2598 B11R0.148 CCCOCOCCOC(=O)C 34a_100000210258_100000076355 [0,1,0,0,0,0|2,0,1]=4 2599 B11R0.148 CCCSCCC/C=C/B(O)O 62a_100000210303_200016261450 [0,1,0,0,0,0|2,0,1]=4 2600 B11R0.148 CCCSCCC/C=C/B(O)O 62a_200016261450_100000210303 [0,1,0,0,0,0|2,0,1]=4 2601 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [0,1,0,0,0,0|1,0,2]=4 2602 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [0,1,0,0,0,0|1,0,2]=4 2603 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [0,1,0,0,0,0|1,0,1]=3 2604 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [0,1,0,0,0,0|1,0,1]=3 2605 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [0,1,0,0,0,0|1,0,1]=3 2606 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [0,1,0,0,0,0|1,0,1]=3 2607 B11R0.148 CCCSCCNCC=C(C)C 2230a_100020603323_100000761012 [0,1,0,0,0,0|2,0,1]=4 2608 B11R0.148 CCCSCCOCC=C(C)C 34a_200000230433_100000761012 [0,1,0,0,0,0|2,0,1]=4 2609 B11R0.148 CCCSCCOCC=C(C)C 7a_200000230433_100000761012 [0,1,0,0,0,0|2,0,1]=4 2610 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [0,1,0,0,0,0|1,0,2]=4 2611 B11R0.148 CCCSCCOCOC(=O)C 34a_200000230433_100009813279 [0,1,0,0,0,0|2,0,1]=4 2612 B11R0.148 CCCSCOCCOC(=O)C 62a_100000076355_100000210303 [0,1,0,0,0,0|2,0,1]=4 2613 B11R0.148 CCCSCOCCOC(=O)C 62a_100000210303_100000076355 [0,1,0,0,0,0|2,0,1]=4 2614 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [0,1,0,0,0,0|1,0,1]=3 2615 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [0,1,0,0,0,0|1,0,1]=3 2616 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [0,1,0,0,0,0|1,0,1]=3 2617 B11R0.148 CCNCCOCCOC(=O)C 2230a_100015525214_200000083610 [0,1,0,0,0,0|2,0,1]=4 2618 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [0,1,0,0,0,0|1,0,1]=3 2619 B11R0.148 CCOCCCNCC=C(C)C 2230a_100000210961_100000761012 [0,1,0,0,0,0|2,0,1]=4 2620 B11R0.148 CCOCCCNCC=C(C)C 34a_100000210961_100000761012 [0,1,0,0,0,0|2,0,1]=4 2621 B11R0.148 CCOCCCNCC=C(C)C 34a_100000718196_100012232248 [0,1,0,0,0,0|2,0,1]=4 2622 B11R0.148 CCOCCCNCOC(=O)C 34a_100000210961_100009813279 [0,1,0,0,0,0|2,0,1]=4 2623 B11R0.148 CCOCCCOCC=C(C)C 34a_100000753907_100012232248 [0,1,0,0,0,0|2,0,1]=4 2624 B11R0.148 CCOCCCOCC=C(C)C 34a_100000757476_100000761012 [0,1,0,0,0,0|2,0,1]=4 2625 B11R0.148 CCOCCCOCC=C(C)C 7a_100000757476_100000761012 [0,1,0,0,0,0|2,0,1]=4 2626 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [0,1,0,0,0,0|1,0,2]=4 2627 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [0,1,0,0,0,0|1,0,2]=4 2628 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [0,1,0,0,0,0|1,0,2]=4 2629 B11R0.148 CCOCCCOCOC(=O)C 34a_100000757476_100009813279 [0,1,0,0,0,0|2,0,1]=4 2630 B11R0.148 CCOCCCSCC=C(C)C 62a_100000761012_100012232248 [0,1,0,0,0,0|2,0,1]=4 2631 B11R0.148 CCOCCCSCC=C(C)C 62a_100012232248_100000761012 [0,1,0,0,0,0|2,0,1]=4 2632 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [0,1,0,0,0,0|1,0,2]=4 2633 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [0,1,0,0,0,0|1,0,2]=4 2634 B11R0.148 CCOCCCSCOC(=O)C 62a_100000076356_100012232248 [0,1,0,0,0,0|2,0,1]=4 2635 B11R0.148 CCOCCCSCOC(=O)C 62a_100012232248_100000076356 [0,1,0,0,0,0|2,0,1]=4 2636 B11R0.148 CCOCCNCCC=C(C)C 2230a_102516460346_100011217483 [0,1,0,0,0,0|2,0,1]=4 2637 B11R0.148 CCOCCNCCC=C(C)C 34a_102516460346_100011217483 [0,1,0,0,0,0|2,0,1]=4 2638 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [0,1,0,0,0,0|1,0,2]=4 2639 B11R0.148 CCOCCNCCNC(=O)C 2230a_100000209853_100011215890 [0,1,0,0,0,0|2,0,1]=4 2640 B11R0.148 CCOCCNCCNC(=O)C 2230a_102516460346_100000189650 [0,1,0,0,0,0|2,0,1]=4 2641 B11R0.148 CCOCCNCCOC(=O)C 34a_102516460346_100009814007 [0,1,0,0,0,0|2,0,1]=4 2642 B11R0.148 CCOCCNN=CC=C(C)C 4a_100000732670_100011215525 [0,1,0,0,0,0|3,0,0]=4 2643 B11R0.148 CCOCCOCCC=C(C)C 34a_100000210136_100011217483 [0,1,0,0,0,0|2,0,1]=4 2644 B11R0.148 CCOCCOCCC=C(C)C 7a_100000210136_100011217483 [0,1,0,0,0,0|2,0,1]=4 2645 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [0,1,0,0,0,0|1,0,2]=4 2646 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [0,1,0,0,0,0|1,0,2]=4 2647 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [0,1,0,0,0,0|1,0,2]=4 2648 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [0,1,0,0,0,0|1,0,2]=4 2649 B11R0.148 CCOCCOCCNC(=O)C 11a_100102712874_100015343762 [0,1,0,0,0,0|2,0,1]=4 2650 B11R0.148 CCOCCOCCNC(=O)C 1626a_100102712874_100015343762 [0,1,0,0,0,0|2,0,1]=4 2651 B11R0.148 CCOCCOCCNC(=O)C 240690a_100102712874_100015343762 [0,1,0,0,0,0|2,0,1]=4 2652 B11R0.148 CCOCCOCCNC(=O)C 34a_100000158858_100000210147 [0,1,0,0,0,0|2,0,1]=4 2653 B11R0.148 CCOCCOCCNC(=O)C 527a_100102712874_100103153847 [0,1,0,0,0,0|2,0,1]=4 2654 B11R0.148 CCOCCOCCNC(=O)C 7a_100000210136_100000189650 [0,1,0,0,0,0|2,0,1]=4 2655 B11R0.148 CCOCCOCCOC(=O)C 34a_100000210136_100009814007 [0,1,0,0,0,0|2,0,1]=4 2656 B11R0.148 CCOCCOCCOC(=O)C 34a_100121572206_200000083610 [0,1,0,0,0,0|2,0,1]=4 2657 B11R0.148 CCOCCOCCOC(=O)C 7a_100000210136_100009814007 [0,1,0,0,0,0|2,0,1]=4 2658 B11R0.148 CCOCCSCCC=C(C)C 62a_100000210147_100011217483 [0,1,0,0,0,0|2,0,1]=4 2659 B11R0.148 CCOCCSCCC=C(C)C 62a_100011217483_100011215890 [0,1,0,0,0,0|2,0,1]=4 2660 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [0,1,0,0,0,0|1,0,2]=4 2661 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [0,1,0,0,0,0|1,0,2]=4 2662 B11R0.148 CCOCCSCCNC(=O)C 62a_100000189650_100011215890 [0,1,0,0,0,0|2,0,1]=4 2663 B11R0.148 CCOCCSCCNC(=O)C 62a_100000210147_100000189650 [0,1,0,0,0,0|2,0,1]=4 2664 B11R0.148 CCOCCSCCOC(=O)C 62a_100000210147_100009814007 [0,1,0,0,0,0|2,0,1]=4 2665 B11R0.148 CCOCCSCCOC(=O)C 62a_100009814007_100011215890 [0,1,0,0,0,0|2,0,1]=4 2666 B11R0.148 CCOCSCCCCC(=O)C 62a_100000735457_100000739092 [0,1,0,0,0,0|1,0,2]=4 2667 B11R0.148 CCOCSCCCCC(=O)C 62a_100000739092_100000735457 [0,1,0,0,0,0|1,0,2]=4 2668 B11R0.148 CCOCSCCCOC(=O)C 62a_100000042594_100000739092 [0,1,0,0,0,0|2,0,1]=4 2669 B11R0.148 CCOCSCCCOC(=O)C 62a_100000739092_100000042594 [0,1,0,0,0,0|2,0,1]=4 2670 B11R0.148 CCOCSCCCSC(=O)C 62a_100000038929_100000739092 [0,1,0,0,0,0|2,0,1]=4 2671 B11R0.148 CCOCSCCCSC(=O)C 62a_100000739092_100000038929 [0,1,0,0,0,0|2,0,1]=4 2672 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [0,1,0,0,0,0|1,0,1]=3 2673 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [0,1,0,0,0,0|1,0,1]=3 2674 B11R0.148 CCSCCCOCC=C(C)C 34a_100011216438_100000761012 [0,1,0,0,0,0|2,0,1]=4 2675 B11R0.148 CCSCCCOCC=C(C)C 7a_100011216438_100000761012 [0,1,0,0,0,0|2,0,1]=4 2676 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [0,1,0,0,0,0|1,0,2]=4 2677 B11R0.148 CCSCCCOCOC(=O)C 34a_100011216438_100009813279 [0,1,0,0,0,0|2,0,1]=4 2678 B11R0.148 CCSCCNCCC=C(C)C 2230a_100000106463_100011217483 [0,1,0,0,0,0|2,0,1]=4 2679 B11R0.148 CCSCCNCCNC(=O)C 2230a_100000106463_100000189650 [0,1,0,0,0,0|2,0,1]=4 2680 B11R0.148 CCSCCNCCNC(=O)C 2230a_100000209853_100000757381 [0,1,0,0,0,0|2,0,1]=4 2681 B11R0.148 CCSCCOCCC=C(C)C 34a_100000212035_100011217483 [0,1,0,0,0,0|2,0,1]=4 2682 B11R0.148 CCSCCOCCC=C(C)C 7a_100000212035_100011217483 [0,1,0,0,0,0|2,0,1]=4 2683 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [0,1,0,0,0,0|1,0,2]=4 2684 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [0,1,0,0,0,0|1,0,2]=4 2685 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [0,1,0,0,0,0|1,0,2]=4 2686 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [0,1,0,0,0,0|1,0,2]=4 2687 B11R0.148 CCSCCOCCNC(=O)C 34a_100000158858_100000757381 [0,1,0,0,0,0|2,0,1]=4 2688 B11R0.148 CCSCCOCCNC(=O)C 7a_100000212035_100000189650 [0,1,0,0,0,0|2,0,1]=4 2689 B11R0.148 CCSCCOCCOC(=O)C 34a_100000212035_100009814007 [0,1,0,0,0,0|2,0,1]=4 2690 B11R0.148 CCSCCOCCOC(=O)C 62a_100000210202_200000083610 [0,1,0,0,0,0|2,0,1]=4 2691 B11R0.148 CCSCCOCCOC(=O)C 62a_200000083610_100000210202 [0,1,0,0,0,0|2,0,1]=4 2692 B11R0.148 CCSCCOCCOC(=O)C 7a_100000212035_100009814007 [0,1,0,0,0,0|2,0,1]=4 2693 B11R0.148 CCSCCSCCC=C(C)C 62a_100000757381_100011217483 [0,1,0,0,0,0|2,0,1]=4 2694 B11R0.148 CCSCCSCCC=C(C)C 62a_100011217483_100000757381 [0,1,0,0,0,0|2,0,1]=4 2695 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [0,1,0,0,0,0|1,0,2]=4 2696 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [0,1,0,0,0,0|1,0,2]=4 2697 B11R0.148 CCSCCSCCNC(=O)C 62a_100000189650_100000757381 [0,1,0,0,0,0|2,0,1]=4 2698 B11R0.148 CCSCCSCCNC(=O)C 62a_100000757381_100000189650 [0,1,0,0,0,0|2,0,1]=4 2699 B11R0.148 CCSCCSCCOC(=O)C 62a_100000757381_100009814007 [0,1,0,0,0,0|2,0,1]=4 2700 B11R0.148 CCSCCSCCOC(=O)C 62a_100009814007_100000757381 [0,1,0,0,0,0|2,0,1]=4 2701 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [0,1,0,0,0,0|1,0,1]=3 2702 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [0,1,0,0,0,0|1,0,1]=3 2703 B11R0.148 CNCCCCCOCC(=O)N 34a_100000722520_100000187820 [0,1,0,0,0,0|2,0,1]=4 2704 B11R0.148 CNCCCCCOCC(=O)[O-] 34a_100000722520_100020667443 [0,1,0,0,0,0|2,0,1]=4 2705 B11R0.148 CNCCCOCCC=C(C)C 34a_100000213112_100011217483 [0,1,0,0,0,0|2,0,1]=4 2706 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [0,1,0,0,0,0|1,0,2]=4 2707 B11R0.148 CNCCCOCCOC(=O)C 34a_100000213112_100009814007 [0,1,0,0,0,0|2,0,1]=4 2708 B11R0.148 COCCCCCNCC(=O)N 2230a_100000747528_100000747473 [0,1,0,0,0,0|2,0,1]=4 2709 B11R0.148 COCCCCCNCC(=O)N 34a_100000747528_100000187820 [0,1,0,0,0,0|2,0,1]=4 2710 B11R0.148 COCCCCCNCC(=O)[O-] 34a_100000747528_100020667443 [0,1,0,0,0,0|2,0,1]=4 2711 B11R0.148 COCCCCNCC=C(C)C 34a_100000718196_100000755781 [0,1,0,0,0,0|2,0,1]=4 2712 B11R0.148 COCCCCOCC=C(C)C 34a_100000740925_100000761012 [0,1,0,0,0,0|2,0,1]=4 2713 B11R0.148 COCCCCOCC=C(C)C 34a_100000753907_100000755781 [0,1,0,0,0,0|2,0,1]=4 2714 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [0,1,0,0,0,0|1,0,2]=4 2715 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [0,1,0,0,0,0|1,0,2]=4 2716 B11R0.148 COCCCCOCOC(=O)C 34a_100000740925_100009813279 [0,1,0,0,0,0|2,0,1]=4 2717 B11R0.148 COCCCCSCC=C(C)C 62a_100000730899_100000761012 [0,1,0,0,0,0|2,0,1]=4 2718 B11R0.148 COCCCCSCC=C(C)C 62a_100000761012_100000730899 [0,1,0,0,0,0|2,0,1]=4 2719 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [0,1,0,0,0,0|1,0,2]=4 2720 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [0,1,0,0,0,0|1,0,2]=4 2721 B11R0.148 COCCCCSCOC(=O)C 62a_100000076356_100000730899 [0,1,0,0,0,0|2,0,1]=4 2722 B11R0.148 COCCCCSCOC(=O)C 62a_100000730899_100000076356 [0,1,0,0,0,0|2,0,1]=4 2723 B11R0.148 COCCCNCCC=C(C)C 34a_100150723488_100011217483 [0,1,0,0,0,0|2,0,1]=4 2724 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [0,1,0,0,0,0|1,0,2]=4 2725 B11R0.148 COCCCNCCNC(=O)C 2230a_100000209853_100000740836 [0,1,0,0,0,0|2,0,1]=4 2726 B11R0.148 COCCCNCCOC(=O)C 34a_100150723488_100009814007 [0,1,0,0,0,0|2,0,1]=4 2727 B11R0.148 COCCCOCCC=C(C)C 34a_100000740835_100011217483 [0,1,0,0,0,0|2,0,1]=4 2728 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [0,1,0,0,0,0|1,0,2]=4 2729 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [0,1,0,0,0,0|1,0,2]=4 2730 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [0,1,0,0,0,0|1,0,2]=4 2731 B11R0.148 COCCCOCCNC(=O)C 34a_100000158858_100000740836 [0,1,0,0,0,0|2,0,1]=4 2732 B11R0.148 COCCCOCCOC(=O)C 34a_100000740835_100009814007 [0,1,0,0,0,0|2,0,1]=4 2733 B11R0.148 COCCCSCCC=C(C)C 62a_100000709357_100011217483 [0,1,0,0,0,0|2,0,1]=4 2734 B11R0.148 COCCCSCCC=C(C)C 62a_100011217483_100000709357 [0,1,0,0,0,0|2,0,1]=4 2735 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [0,1,0,0,0,0|1,0,2]=4 2736 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [0,1,0,0,0,0|1,0,2]=4 2737 B11R0.148 COCCCSCCNC(=O)C 62a_100000189650_100000709357 [0,1,0,0,0,0|2,0,1]=4 2738 B11R0.148 COCCCSCCNC(=O)C 62a_100000709357_100000189650 [0,1,0,0,0,0|2,0,1]=4 2739 B11R0.148 COCCCSCCOC(=O)C 62a_100000709357_100009814007 [0,1,0,0,0,0|2,0,1]=4 2740 B11R0.148 COCCCSCCOC(=O)C 62a_100009814007_100000709357 [0,1,0,0,0,0|2,0,1]=4 2741 B11R0.148 COCCNCCCNC(=O)C 34a_100000736810_100011201679 [0,1,0,0,0,0|2,0,1]=4 2742 B11R0.148 COCCNCCCSC(=O)C 2230a_100000209980_100000038929 [0,1,0,0,0,0|2,0,1]=4 2743 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [0,1,0,0,0,0|1,0,2]=4 2744 B11R0.148 COCCOCCCNC(=O)C 1626a_100000206027_100015343762 [0,1,0,0,0,0|2,0,1]=4 2745 B11R0.148 COCCOCCCNC(=O)C 240690a_100000206027_100015343762 [0,1,0,0,0,0|2,0,1]=4 2746 B11R0.148 COCCOCCCNC(=O)C 34a_100000752032_100011201679 [0,1,0,0,0,0|2,0,1]=4 2747 B11R0.148 COCCOCCCOC(=O)C 34a_100000210237_100000042594 [0,1,0,0,0,0|2,0,1]=4 2748 B11R0.148 COCCOCCCSC(=O)C 34a_100000210237_100000038929 [0,1,0,0,0,0|2,0,1]=4 2749 B11R0.148 COCCOCCOCC(=O)C 1458a_100011214951_200000210301 [0,1,0,0,0,0|2,0,1]=4 2750 B11R0.148 COCCOCCOCC(=O)C 34a_100000211253_100000695917 [0,1,0,0,0,0|2,0,1]=4 2751 B11R0.148 COCCOCCOCC(=O)[13CH3] 1458a_100011214951_200025704644 [0,1,0,0,0,0|2,0,1]=4 2752 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [0,1,0,0,0,0|1,0,2]=4 2753 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [0,1,0,0,0,0|1,0,2]=4 2754 B11R0.148 COCCSCCCOC(=O)C 62a_100000042594_100000233755 [0,1,0,0,0,0|2,0,1]=4 2755 B11R0.148 COCCSCCCOC(=O)C 62a_100000233755_100000042594 [0,1,0,0,0,0|2,0,1]=4 2756 B11R0.148 COCCSCCCSC(=O)C 62a_100000038929_100000233755 [0,1,0,0,0,0|2,0,1]=4 2757 B11R0.148 COCCSCCCSC(=O)C 62a_100000233755_100000038929 [0,1,0,0,0,0|2,0,1]=4 2758 B11R0.148 COCNCCCCNC(=O)C 2230a_200011368371_100000766300 [0,1,0,0,0,0|2,0,1]=4 2759 B11R0.148 COCSCCCCOC(=O)C 62a_100000033659_100000766300 [0,1,0,0,0,0|2,0,1]=4 2760 B11R0.148 COCSCCCCOC(=O)C 62a_100000766300_100000033659 [0,1,0,0,0,0|2,0,1]=4 2761 B11R0.148 COCSCCCCSC(=O)C 62a_100000766300_200010402107 [0,1,0,0,0,0|2,0,1]=4 2762 B11R0.148 COCSCCCCSC(=O)C 62a_200010402107_100000766300 [0,1,0,0,0,0|2,0,1]=4 2763 B11R0.148 CSCCCCOCC=C(C)C 34a_100011217163_100000761012 [0,1,0,0,0,0|2,0,1]=4 2764 B11R0.148 CSCCCCOCC=C(C)C 7a_100011217163_100000761012 [0,1,0,0,0,0|2,0,1]=4 2765 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [0,1,0,0,0,0|1,0,2]=4 2766 B11R0.148 CSCCCCOCOC(=O)C 34a_100011217163_100009813279 [0,1,0,0,0,0|2,0,1]=4 2767 B11R0.148 CSCCCNCCC=C(C)C 2230a_100000749238_100011217483 [0,1,0,0,0,0|2,0,1]=4 2768 B11R0.148 CSCCCNCCNC(=O)C 2230a_100000749238_100000189650 [0,1,0,0,0,0|2,0,1]=4 2769 B11R0.148 CSCCCOCCC=C(C)C 34a_100000690336_100011217483 [0,1,0,0,0,0|2,0,1]=4 2770 B11R0.148 CSCCCOCCC=C(C)C 7a_100000690336_100011217483 [0,1,0,0,0,0|2,0,1]=4 2771 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [0,1,0,0,0,0|1,0,2]=4 2772 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [0,1,0,0,0,0|1,0,2]=4 2773 B11R0.148 CSCCCOCCNC(=O)C 7a_100000690336_100000189650 [0,1,0,0,0,0|2,0,1]=4 2774 B11R0.148 CSCCCOCCOC(=O)C 34a_100000690336_100009814007 [0,1,0,0,0,0|2,0,1]=4 2775 B11R0.148 CSCCCOCCOC(=O)C 7a_100000690336_100009814007 [0,1,0,0,0,0|2,0,1]=4 2776 B11R0.148 CSCCNCCCNC(=O)C 34a_100000736810_100000212216 [0,1,0,0,0,0|2,0,1]=4 2777 B11R0.148 CSCCNCCCSC(=O)C 2230a_100020590264_100000038929 [0,1,0,0,0,0|2,0,1]=4 2778 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [0,1,0,0,0,0|1,0,2]=4 2779 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [0,1,0,0,0,0|1,0,2]=4 2780 B11R0.148 CSCCOCCCNC(=O)C 34a_100000752032_100000212216 [0,1,0,0,0,0|2,0,1]=4 2781 B11R0.148 CSCCOCCCOC(=O)C 34a_100000230434_100000042594 [0,1,0,0,0,0|2,0,1]=4 2782 B11R0.148 CSCCOCCCOC(=O)C 7a_100000230434_100000042594 [0,1,0,0,0,0|2,0,1]=4 2783 B11R0.148 CSCCOCCCSC(=O)C 34a_100000230434_100000038929 [0,1,0,0,0,0|2,0,1]=4 2784 B11R0.148 CSCCOCCCSC(=O)C 7a_100000230434_100000038929 [0,1,0,0,0,0|2,0,1]=4 2785 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [0,1,0,0,0,0|1,0,2]=4 2786 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [0,1,0,0,0,0|1,0,2]=4 2787 B11R0.148 CSCCSCCCOC(=O)C 62a_100000042594_100000751147 [0,1,0,0,0,0|2,0,1]=4 2788 B11R0.148 CSCCSCCCOC(=O)C 62a_100000212216_100000042594 [0,1,0,0,0,0|2,0,1]=4 2789 B11R0.148 CSCCSCCCSC(=O)C 62a_100000038929_100000751147 [0,1,0,0,0,0|2,0,1]=4 2790 B11R0.148 CSCCSCCCSC(=O)C 62a_100000212216_100000038929 [0,1,0,0,0,0|2,0,1]=4 2791 B11R0.148 CSCNCCCCNC(=O)C 2230a_200011368371_100011218213 [0,1,0,0,0,0|2,0,1]=4 2792 B11R0.148 CSCNCCCCNC(=O)C 34a_200011368371_100011218213 [0,1,0,0,0,0|2,0,1]=4 2793 B11R0.148 CSCOCCCCOC(=O)C 34a_100000073216_100011218213 [0,1,0,0,0,0|2,0,1]=4 2794 B11R0.148 CSCSCCCCOC(=O)C 62a_100000033659_100011218213 [0,1,0,0,0,0|2,0,1]=4 2795 B11R0.148 CSCSCCCCOC(=O)C 62a_100011218213_100000033659 [0,1,0,0,0,0|2,0,1]=4 2796 B11R0.148 CSCSCCCCSC(=O)C 62a_100011218213_200010402107 [0,1,0,0,0,0|2,0,1]=4 2797 B11R0.148 CSCSCCCCSC(=O)C 62a_200010402107_100011218213 [0,1,0,0,0,0|2,0,1]=4 2798 B11R0.148 NC(=O)CNCCCCCCF 2230a_100000711301_100015922095 [0,1,0,0,0,0|2,0,1]=4 2799 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [0,1,0,0,0,0|2,0,1]=4 2800 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [0,1,0,0,0,0|2,0,1]=4 2801 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [0,1,0,0,0,0|2,0,1]=4 2802 B11R0.148 NC(=O)COCCCCCCBr 34a_100011215345_100000187820 [0,1,0,0,0,0|2,0,1]=4 2803 B11R0.148 NC(=O)COCCCCCCBr 7a_100011215345_100000187820 [0,1,0,0,0,0|2,0,1]=4 2804 B11R0.148 NC(=O)COCCCCCCCl 34a_100000766143_100000187820 [0,1,0,0,0,0|2,0,1]=4 2805 B11R0.148 NC(=O)COCCCCCCCl 7a_100000766143_100000187820 [0,1,0,0,0,0|2,0,1]=4 2806 B11R0.148 NC(=O)COCCCCCCF 34a_100000732779_100000187820 [0,1,0,0,0,0|2,0,1]=4 2807 B11R0.148 NC(=O)COCCCCCCF 7a_100000732779_100000187820 [0,1,0,0,0,0|2,0,1]=4 2808 B11R0.148 NC(=O)CSCCCCCCF 62a_100000747473_100015922095 [0,1,0,0,0,0|2,0,1]=4 2809 B11R0.148 NC(=O)CSCCCCCCF 62a_100015922095_100000747473 [0,1,0,0,0,0|2,0,1]=4 2810 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [0,1,0,0,0,0|2,0,1]=4 2811 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [0,1,0,0,0,0|2,0,1]=4 2812 B11R0.148 NCCCCCCOCC(=O)N 34a_100000686447_100000187820 [0,1,0,0,0,0|2,0,1]=4 2813 B11R0.148 NCCCCCCOCC(=O)[O-] 34a_100000686447_100020667443 [0,1,0,0,0,0|2,0,1]=4 2814 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [0,1,0,0,0,0|2,0,1]=4 2815 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [0,1,0,0,0,0|2,0,1]=4 2816 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [0,1,0,0,0,0|2,0,1]=4 2817 B11R0.148 O=C([O-])COCCCCCCBr 34a_100011215345_100020667443 [0,1,0,0,0,0|2,0,1]=4 2818 B11R0.148 O=C([O-])COCCCCCCCl 34a_100000766143_100020667443 [0,1,0,0,0,0|2,0,1]=4 2819 B11R0.148 O=C([O-])COCCCCCCF 34a_100000732779_100020667443 [0,1,0,0,0,0|2,0,1]=4 2820 B11R0.148 O=C([O-])CSCCCCCCF 62a_100015922095_100020667443 [0,1,0,0,0,0|2,0,1]=4 2821 B11R0.148 O=C([O-])CSCCCCCCF 62a_100020667443_100015922095 [0,1,0,0,0,0|2,0,1]=4 2822 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [0,1,0,0,0,0|2,0,1]=4 2823 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [0,1,0,0,0,0|2,0,1]=4 2824 B11R0.159 CCCCCCCNS(=O)(=O)C 40a_100000229938_100000738038 [0,1,0,0,0,0|2,0,1]=4 2825 B11R0.159 CCCCOC/C=C/[Si](C)(C)C 7a_200016270829_100000210211 [0,1,0,0,0,0|2,1,0]=4 2826 B11R0.176 C=C(C)COCCC(C)CCC 34a_100011217855_100000748629 [0,1,0,0,0,0|2,0,1]=4 2827 B11R0.176 C=C(C)COCCC(C)CCC 7a_100011217855_100000748629 [0,1,0,0,0,0|2,0,1]=4 2828 B11R0.176 C=C(C)COCC[C@@H](N)CCC 34a_100015193777_100000748629 [0,1,0,0,0,0|2,0,1]=4 2829 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,1,0,0,0,0|0,0,3]=4 2830 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [0,1,0,0,0,0|1,0,2]=4 2831 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [0,1,0,0,0,0|1,0,2]=4 2832 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [0,1,0,0,0,0|1,0,2]=4 2833 B11R0.176 CCCC(C)CCOCC(=O)N 34a_100011217855_100000187820 [0,1,0,0,0,0|2,0,1]=4 2834 B11R0.176 CCCC(C)CCOCC(=O)N 7a_100011217855_100000187820 [0,1,0,0,0,0|2,0,1]=4 2835 B11R0.176 CCCC(C)CCOCC(=O)[O-] 34a_100011217855_100020667443 [0,1,0,0,0,0|2,0,1]=4 2836 B11R0.176 CCCC(C)CNCC=C(C)C 270004a_100000718196_100000243154 [0,1,0,0,0,0|2,0,1]=4 2837 B11R0.176 CCCC(C)CNCC=C(C)C 34a_100000718196_100011216630 [0,1,0,0,0,0|2,0,1]=4 2838 B11R0.176 CCCC(C)COCC=C(C)C 34a_100000688023_100000761012 [0,1,0,0,0,0|2,0,1]=4 2839 B11R0.176 CCCC(C)COCC=C(C)C 34a_100000753907_100011216630 [0,1,0,0,0,0|2,0,1]=4 2840 B11R0.176 CCCC(C)COCC=C(C)C 7a_100000688023_100000761012 [0,1,0,0,0,0|2,0,1]=4 2841 B11R0.176 CCCC(C)COCCC(=O)C 34a_100000759926_100011216630 [0,1,0,0,0,0|1,0,2]=4 2842 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000688023_100000053229 [0,1,0,0,0,0|1,0,2]=4 2843 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000759926_100011216630 [0,1,0,0,0,0|1,0,2]=4 2844 B11R0.176 CCCC(C)COCOC(=O)C 34a_100000688023_100009813279 [0,1,0,0,0,0|2,0,1]=4 2845 B11R0.176 CCCC(C)CSCC=C(C)C 62a_100000761012_100011216630 [0,1,0,0,0,0|2,0,1]=4 2846 B11R0.176 CCCC(C)CSCC=C(C)C 62a_100011216630_100000761012 [0,1,0,0,0,0|2,0,1]=4 2847 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100000053229_100011216630 [0,1,0,0,0,0|1,0,2]=4 2848 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100011216630_100000053229 [0,1,0,0,0,0|1,0,2]=4 2849 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100000076356_100011216630 [0,1,0,0,0,0|2,0,1]=4 2850 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100011216630_100000076356 [0,1,0,0,0,0|2,0,1]=4 2851 B11R0.176 CCCC(C)NCCC=C(C)C 2230a_100000741246_100011217483 [0,1,0,0,0,0|2,0,1]=4 2852 B11R0.176 CCCC(C)NCCNC(=O)C 2230a_100000209853_100000766640 [0,1,0,0,0,0|2,0,1]=4 2853 B11R0.176 CCCC(C)NCCNC(=O)C 2230a_100000741246_100000189650 [0,1,0,0,0,0|2,0,1]=4 2854 B11R0.176 CCCC(C)OCCC=C(C)C 34a_100000764384_100011217483 [0,1,0,0,0,0|2,0,1]=4 2855 B11R0.176 CCCC(C)OCCC=C(C)C 7a_100000764384_100011217483 [0,1,0,0,0,0|2,0,1]=4 2856 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000759063_100000766640 [0,1,0,0,0,0|1,0,2]=4 2857 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000764384_100000685027 [0,1,0,0,0,0|1,0,2]=4 2858 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000759063_100000766640 [0,1,0,0,0,0|1,0,2]=4 2859 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000764384_100011215641 [0,1,0,0,0,0|1,0,2]=4 2860 B11R0.176 CCCC(C)OCCNC(=O)C 34a_100000158858_100000766640 [0,1,0,0,0,0|2,0,1]=4 2861 B11R0.176 CCCC(C)OCCNC(=O)C 7a_100000764384_100000189650 [0,1,0,0,0,0|2,0,1]=4 2862 B11R0.176 CCCC(C)OCCOC(=O)C 34a_100000764384_100009814007 [0,1,0,0,0,0|2,0,1]=4 2863 B11R0.176 CCCC(C)OCCOC(=O)C 7a_100000764384_100009814007 [0,1,0,0,0,0|2,0,1]=4 2864 B11R0.176 CCCC(C)SCCC=C(C)C 62a_100000766640_100011217483 [0,1,0,0,0,0|2,0,1]=4 2865 B11R0.176 CCCC(C)SCCC=C(C)C 62a_100011217483_100000766640 [0,1,0,0,0,0|2,0,1]=4 2866 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100000766640_100011215641 [0,1,0,0,0,0|1,0,2]=4 2867 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100011215641_100000766640 [0,1,0,0,0,0|1,0,2]=4 2868 B11R0.176 CCCC(C)SCCNC(=O)C 62a_100000189650_100000766640 [0,1,0,0,0,0|2,0,1]=4 2869 B11R0.176 CCCC(C)SCCNC(=O)C 62a_100000766640_100000189650 [0,1,0,0,0,0|2,0,1]=4 2870 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100000766640_100009814007 [0,1,0,0,0,0|2,0,1]=4 2871 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100009814007_100000766640 [0,1,0,0,0,0|2,0,1]=4 2872 B11R0.176 CCCN(C)CCCCC(=O)C 269982a_100000747261_100000735457 [0,1,0,0,0,0|1,0,2]=4 2873 B11R0.176 CCCN(C)CCCOC(=O)C 269982a_100000747261_100000042594 [0,1,0,0,0,0|2,0,1]=4 2874 B11R0.176 CCCN(C)CCCSC(=O)C 2230a_100000747261_100000038929 [0,1,0,0,0,0|2,0,1]=4 2875 B11R0.176 CCCN(C)CCCSC(=O)C 269982a_100000747261_100000038929 [0,1,0,0,0,0|2,0,1]=4 2876 B11R0.176 CCC[C@H](N)CCOCC(=O)N 34a_100015193777_100000187820 [0,1,0,0,0,0|2,0,1]=4 2877 B11R0.176 CCC[C@H](N)CCOCC(=O)[O-] 34a_100015193777_100020667443 [0,1,0,0,0,0|2,0,1]=4 2878 B11R0.176 CCC[C@H](N)COCC=C(C)C 34a_100000732646_100000761012 [0,1,0,0,0,0|2,0,1]=4 2879 B11R0.176 CCC[C@H](N)COCOC(=O)C 34a_100000732646_100009813279 [0,1,0,0,0,0|2,0,1]=4 2880 B11R1.24 CCCCN1CCC=C(C1)C 2230a_100000725631_100000210211 [0,0,0,1,0,0|2,0,1]=4 2881 B11R1.24 CCCCN1CCC=C(C1)C 269982a_100000725631_100000210211 [0,0,0,1,0,0|2,0,1]=4 2882 B11R1.24 CCCCN1CCC=C(C1)C 34a_100000725631_100000210210 [0,0,0,1,0,0|2,0,1]=4 2883 B11R1.24 CCCCN1CCNC(=O)C1 2230a_100000184651_100000210211 [0,0,0,1,0,0|2,0,1]=4 2884 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [0,0,0,1,0,0|2,0,1]=4 2885 B11R1.24 CCCCc1cc(ccn1)C 271570a_100020621405_100000750283 [0,0,0,1,0,0|2,0,1]=4 2886 B11R1.24 CCCCc1cccc(=O)[nH]1 271570a_100020621405_100000761760 [0,0,0,1,0,0|1,0,2]=4 2887 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [0,0,0,1,0,0|1,0,2]=4 2888 B11R1.24 CCCCc1cccc(n1)C 271570a_100020621405_100000742759 [0,0,0,1,0,0|1,0,2]=4 2889 B11R1.24 CCCCc1nccc(n1)C 271570a_100020621405_100011243806 [0,0,0,1,0,0|2,0,1]=4 2890 B11R1.24 CCCNC1CCNC(=O)C1 2230a_100016994916_100000210303 [0,0,0,1,0,0|2,0,1]=4 2891 B11R1.24 CCCNC1CCNC(=O)C1 34a_100016994916_100000210303 [0,0,0,1,0,0|2,0,1]=4 2892 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [0,0,0,1,0,0|1,0,2]=4 2893 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210303 [0,0,0,1,0,0|2,0,1]=4 2894 B11R1.24 CCOCC1CCNC(=O)C1 34a_100009886756_100000210202 [0,0,0,1,0,0|2,0,1]=4 2895 B11R1.27 CCCCCN1CNC(=O)C1 2230a_200000708111_100000210326 [0,0,0,1,0,0|2,0,1]=4 2896 B11R1.27 CCCCNC1CNC(=O)C1 2230a_100000697751_100000210211 [0,0,0,1,0,0|2,0,1]=4 2897 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [0,0,0,1,0,0|1,0,2]=4 2898 B11R1.27 CCCCOC1CNC(=O)C1 34a_100000690082_100000210210 [0,0,0,1,0,0|2,0,1]=4 2899 B11R1.27 CCCCSc1ccc(s1)C 62a_100000031368_100000210210 [0,0,0,1,0,0|1,1,1]=4 2900 B11R1.27 CCCCSc1ccc(s1)C 62a_100000210211_100000031368 [0,0,0,1,0,0|1,1,1]=4 2901 B11R1.27 CCCNCC1CNC(=O)C1 2230a_100016993742_100000210303 [0,0,0,1,0,0|2,0,1]=4 2902 B11R1.27 CCCNCC1CNC(=O)C1 34a_100016993742_100000210303 [0,0,0,1,0,0|2,0,1]=4 2903 B11R1.27 CCCNCc1ccc(o1)C 207a_100020643023_100000183696 [0,0,0,1,0,0|1,0,2]=4 2904 B11R1.27 CCCNCc1ccc(o1)C 270004a_100020643023_100000183696 [0,0,0,1,0,0|1,0,2]=4 2905 B11R1.27 CCCNCc1ccc(o1)C 34a_100011194323_100000210303 [0,0,0,1,0,0|1,0,2]=4 2906 B11R1.27 CCCNCc1ccc(s1)C 207a_100020643023_100000211121 [0,0,0,1,0,0|1,1,1]=4 2907 B11R1.27 CCCNCc1ccc(s1)C 2230a_100000238518_100000210303 [0,0,0,1,0,0|1,1,1]=4 2908 B11R1.27 CCCNCc1ccc(s1)C 270004a_100020643023_100000211121 [0,0,0,1,0,0|1,1,1]=4 2909 B11R1.27 CCCOCC1CNC(=O)C1 34a_100016041077_100000210303 [0,0,0,1,0,0|2,0,1]=4 2910 B11R1.27 CCCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000210303 [0,0,0,1,0,0|2,0,1]=4 2911 B11R1.27 CCCOCc1ccc(o1)C 34a_100011232665_100000210303 [0,0,0,1,0,0|1,0,2]=4 2912 B11R1.27 CCCOCc1ccc(o1)C 7a_100011232665_100000210303 [0,0,0,1,0,0|1,0,2]=4 2913 B11R1.27 CCCOCc1ccc(s1)C 34a_100000238367_100000210303 [0,0,0,1,0,0|1,1,1]=4 2914 B11R1.27 CCNCCc1ccc(o1)C 2230a_100000739271_100000210202 [0,0,0,1,0,0|1,0,2]=4 2915 B11R1.27 CCNCCc1ccc(o1)C 34a_100000739271_100000210202 [0,0,0,1,0,0|1,0,2]=4 2916 B11R1.27 CCNCCn1ccc(n1)C 2230a_100015525214_200011934056 [0,0,0,1,0,0|3,0,0]=4 2917 B11R1.27 CCOCCc1ccc(o1)C 34a_100012161071_100000210202 [0,0,0,1,0,0|1,0,2]=4 2918 B11R1.27 CCOCCc1ccc(o1)C 7a_100012161071_100000210202 [0,0,0,1,0,0|1,0,2]=4 2919 B11R1.27 CCSCCn1ccc(n1)C 62a_100000210202_200011934056 [0,0,0,1,0,0|3,0,0]=4 2920 B11R1.27 CCSCCn1ccc(n1)C 62a_200011934056_100000210202 [0,0,0,1,0,0|3,0,0]=4 2921 B11R1.53 CC(=O)N1CCCCC1CO 240690a_100000210821_100015343762 [0,0,0,1,0,0|2,0,1]=4 2922 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [0,0,0,1,0,0|1,0,1]=3 2923 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [0,0,0,1,0,0|1,0,1]=3 2924 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [0,0,0,1,0,0|1,0,1]=3 2925 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [0,0,0,1,0,0|1,0,1]=3 2926 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [0,0,0,1,0,0|1,0,2]=4 2927 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [0,0,0,1,0,0|1,0,2]=4 2928 B11R1.53 CC[C@H]1COCCN1C(=O)C 11a_100016988097_100015343762 [0,0,0,1,0,0|2,0,1]=4 2929 B11R1.53 CC[C@H]1COCCN1C(=O)C 1626a_100016988097_100015343762 [0,0,0,1,0,0|2,0,1]=4 2930 B11R1.53 CC[C@H]1COCCN1C(=O)C 240690a_100016988097_100015343762 [0,0,0,1,0,0|2,0,1]=4 2931 B11R1.53 CC[C@H]1COCCN1C(=O)C 527a_100016988097_100103153847 [0,0,0,1,0,0|2,0,1]=4 2932 B11R1.57 C=C(C)CN1CCCC1CC 2230a_100000754278_100000748629 [0,0,0,1,0,0|2,0,1]=4 2933 B11R1.57 C=C(C)CN1CCCC1CC 269982a_100000754278_100000748629 [0,0,0,1,0,0|2,0,1]=4 2934 B11R1.57 C=C(C)CN1CCCC1CC 34a_100000754278_100000748629 [0,0,0,1,0,0|2,0,1]=4 2935 B11R1.57 CCC1CCCN1CC(=O)N 2230a_100000754278_100000747473 [0,0,0,1,0,0|2,0,1]=4 2936 B11R1.57 CCC1CCCN1CC(=O)N 269982a_100000754278_100000187820 [0,0,0,1,0,0|2,0,1]=4 2937 B11R1.57 CCC1CCCN1CC(=O)N 34a_100000754278_100000187820 [0,0,0,1,0,0|2,0,1]=4 2938 B11R1.57 CCC1CCCN1CC(=O)[O-] 269982a_100000754278_100020667443 [0,0,0,1,0,0|2,0,1]=4 2939 B11R1.57 CCC1CCCN1CC(=O)[O-] 34a_100000754278_100020667443 [0,0,0,1,0,0|2,0,1]=4 2940 B11R1.78 CCCCCSC1CC(=O)C1 62a_100009894365_100000210326 [0,0,0,1,0,0|1,0,2]=4 2941 B11R1.78 CCCCNCC1CC(=O)C1 2230a_100000102301_100009874392 [0,0,0,1,0,0|1,0,2]=4 2942 B11R1.78 CCCCNCC1CC(=O)C1 7a_106832991798_100009874392 [0,0,0,1,0,0|1,0,2]=4 2943 B11R1.78 CCCCOCC1CC(=O)C1 34a_100000101936_100000210210 [0,0,0,1,0,0|1,0,2]=4 2944 B11R1.78 CCCCOCC1CC(=O)C1 7a_100000210227_100009874392 [0,0,0,1,0,0|1,0,2]=4 2945 B11R1.78 CCCCSCC1CC(=O)C1 62a_100000210211_100009874392 [0,0,0,1,0,0|1,0,2]=4 2946 B11R1.78 CCCCSCC1CC(=O)C1 62a_100009874392_100000210210 [0,0,0,1,0,0|1,0,2]=4 2947 B11R1.86 C=C(C)CN1CCCCC1C 2230a_100000211376_100000748629 [0,0,0,1,0,0|2,0,1]=4 2948 B11R1.86 C=C(C)CN1CCCCC1C 269982a_100000211376_100000748629 [0,0,0,1,0,0|2,0,1]=4 2949 B11R1.86 C=C(C)CN1CCCCC1C 34a_100000211376_100000748629 [0,0,0,1,0,0|2,0,1]=4 2950 B11R1.86 CC(=O)CC1CCCCN1C 1458a_100000070787_100015185383 [0,0,0,1,0,0|1,0,2]=4 2951 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [0,0,0,1,0,0|1,0,1]=3 2952 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [0,0,0,1,0,0|1,0,1]=3 2953 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [0,0,0,1,0,0|1,0,1]=3 2954 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [0,0,0,1,0,0|1,0,1]=3 2955 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [0,0,0,1,0,0|2,0,1]=4 2956 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [0,0,0,1,0,0|2,0,1]=4 2957 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100015343762 [0,0,0,1,0,0|2,0,1]=4 2958 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100015343762 [0,0,0,1,0,0|2,0,1]=4 2959 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100015343762 [0,0,0,1,0,0|2,0,1]=4 2960 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100103153847 [0,0,0,1,0,0|2,0,1]=4 2961 B11R1.86 CC1CCCCN1CC(=O)N 2230a_100000211376_100000747473 [0,0,0,1,0,0|2,0,1]=4 2962 B11R1.86 CC1CCCCN1CC(=O)N 269982a_100000211376_100000187820 [0,0,0,1,0,0|2,0,1]=4 2963 B11R1.86 CC1CCCCN1CC(=O)N 34a_100000211376_100000187820 [0,0,0,1,0,0|2,0,1]=4 2964 B11R1.86 CC1CCCCN1CC(=O)[O-] 269982a_100000211376_100020667443 [0,0,0,1,0,0|2,0,1]=4 2965 B11R1.86 CC1CCCCN1CC(=O)[O-] 34a_100000211376_100020667443 [0,0,0,1,0,0|2,0,1]=4 2966 B11R1.90 C=C(C)COC1CCCC1C 34a_100011216460_100000748629 [0,0,0,1,0,0|2,0,1]=4 2967 B11R1.90 C=C(C)COC1CCCC1C 7a_100011216460_100000748629 [0,0,0,1,0,0|2,0,1]=4 2968 B11R1.90 CC(=CCN1CCC[C@@H]1C)C 2230a_100020605311_100000761012 [0,0,0,1,0,0|2,0,1]=4 2969 B11R1.90 CC(=CCN1CCC[C@@H]1C)C 269982a_100020605311_100000761012 [0,0,0,1,0,0|2,0,1]=4 2970 B11R1.90 CC(=CCN1CCC[C@H]1C)C 2230a_100015189458_100000761012 [0,0,0,1,0,0|2,0,1]=4 2971 B11R1.90 CC(=CCN1CCC[C@H]1C)C 269982a_100015189458_100000761012 [0,0,0,1,0,0|2,0,1]=4 2972 B11R1.90 CC(=CCN1CCC[C@H]1C)C 34a_100015189458_100000761012 [0,0,0,1,0,0|2,0,1]=4 2973 B11R1.90 CC(=O)CCC1CCCN1C 1458a_100000070787_100000005710 [0,0,0,1,0,0|1,0,2]=4 2974 B11R1.90 CC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000053229 [0,0,0,1,0,0|1,0,2]=4 2975 B11R1.90 CC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000053229 [0,0,0,1,0,0|1,0,2]=4 2976 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100015343762 [0,0,0,1,0,0|2,0,1]=4 2977 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100103153847 [0,0,0,1,0,0|2,0,1]=4 2978 B11R1.90 CC(=O)NN=C1CCCC1C 4a_100000189765_100000752053 [0,0,0,1,0,0|2,0,1]=4 2979 B11R1.90 CC(=O)OCN1CCC[C@@H]1C 269982a_100020605311_100000076356 [0,0,0,1,0,0|2,0,1]=4 2980 B11R1.90 CC(=O)OCN1CCC[C@H]1C 269982a_100015189458_100000076356 [0,0,0,1,0,0|2,0,1]=4 2981 B11R1.90 CC(=O)OCN1CCC[C@H]1C 34a_100015189458_100009813279 [0,0,0,1,0,0|2,0,1]=4 2982 B11R1.90 CC1CCCC1OCC(=O)N 34a_100011216460_100000187820 [0,0,0,1,0,0|2,0,1]=4 2983 B11R1.90 CC1CCCC1OCC(=O)N 7a_100011216460_100000187820 [0,0,0,1,0,0|2,0,1]=4 2984 B11R1.90 CC1CCCC1OCC(=O)[O-] 34a_100011216460_100020667443 [0,0,0,1,0,0|2,0,1]=4 2985 B11R1.91 C=C(C)CNC1CCCCC1 2230a_100000182618_100000748629 [0,0,0,1,0,0|2,0,1]=4 2986 B11R1.91 C=C(C)CNC1CCCCC1 34a_100000182618_100000748629 [0,0,0,1,0,0|2,0,1]=4 2987 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210231_100000748629 [0,0,0,1,0,0|2,0,1]=4 2988 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210245_100000210327 [0,0,0,1,0,0|2,0,1]=4 2989 B11R1.91 C=C(C)COC1CCCCC1 7a_100000210231_100000748629 [0,0,0,1,0,0|2,0,1]=4 2990 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000210327_100000211660 [0,0,0,1,0,0|2,0,1]=4 2991 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000748629_100000210327 [0,0,0,1,0,0|2,0,1]=4 2992 B11R1.91 CC(=O)C=CC1=CCCCC1 1458a_100016289660_200000210301 [0,0,0,1,0,0|0,0,2]=3 2993 B11R1.91 CC(=O)C=CC1CCCCC1 1458a_100102566626_200000210301 [0,0,0,1,0,0|0,0,0]=1 2994 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [0,0,0,1,0,0|0,0,2]=3 2995 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [0,0,0,1,0,0|0,0,2]=3 2996 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [0,0,0,1,0,0|1,0,2]=4 2997 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [0,0,0,1,0,0|1,0,2]=4 2998 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [0,0,0,1,0,0|1,0,2]=4 2999 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [0,0,0,1,0,0|1,0,1]=3 3000 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [0,0,0,1,0,0|1,0,1]=3 3001 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [0,0,0,1,0,0|1,0,1]=3 3002 B11R1.91 CC(=O)COC1CCCOC1 34a_100000211253_100000693364 [0,0,0,1,0,0|2,0,1]=4 3003 B11R1.91 CC(=O)COC1CCSCC1 34a_100000211253_100000069128 [0,0,0,1,0,0|2,0,1]=4 3004 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [0,0,0,1,0,0|1,0,1]=3 3005 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [0,0,0,1,0,0|1,0,1]=3 3006 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [0,0,0,1,0,0|1,0,1]=3 3007 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [0,0,0,1,0,0|1,0,1]=3 3008 B11R1.91 CC(=O)NCC1CCCCO1 11a_100000174945_100015343762 [0,0,0,1,0,0|2,0,1]=4 3009 B11R1.91 CC(=O)NCC1CCCCO1 1626a_100000174945_100015343762 [0,0,0,1,0,0|2,0,1]=4 3010 B11R1.91 CC(=O)NCC1CCCCO1 240690a_100000174945_100015343762 [0,0,0,1,0,0|2,0,1]=4 3011 B11R1.91 CC(=O)NCC1CCCCO1 527a_100000174945_100103153847 [0,0,0,1,0,0|2,0,1]=4 3012 B11R1.91 CC(=O)NCC1CCCOC1 11a_100000720124_100015343762 [0,0,0,1,0,0|2,0,1]=4 3013 B11R1.91 CC(=O)NCC1CCCOC1 1626a_100000720124_100015343762 [0,0,0,1,0,0|2,0,1]=4 3014 B11R1.91 CC(=O)NCC1CCCOC1 240690a_100000720124_100015343762 [0,0,0,1,0,0|2,0,1]=4 3015 B11R1.91 CC(=O)NCC1CCCOC1 527a_100000720124_100103153847 [0,0,0,1,0,0|2,0,1]=4 3016 B11R1.91 CC(=O)NCC1CCOCC1 11a_100000746373_100015343762 [0,0,0,1,0,0|2,0,1]=4 3017 B11R1.91 CC(=O)NCC1CCOCC1 1626a_100000746373_100015343762 [0,0,0,1,0,0|2,0,1]=4 3018 B11R1.91 CC(=O)NCC1CCOCC1 240690a_100000746373_100015343762 [0,0,0,1,0,0|2,0,1]=4 3019 B11R1.91 CC(=O)NCC1CCOCC1 527a_100000746373_100103153847 [0,0,0,1,0,0|2,0,1]=4 3020 B11R1.91 CC(=O)NCC1CCSCC1 11a_100015188806_100015343762 [0,0,0,1,0,0|2,0,1]=4 3021 B11R1.91 CC(=O)NCC1CCSCC1 240690a_100015188806_100015343762 [0,0,0,1,0,0|2,0,1]=4 3022 B11R1.91 CC(=O)NCC1CCSCC1 527a_100015188806_100103153847 [0,0,0,1,0,0|2,0,1]=4 3023 B11R1.91 CC(=O)NN=C1CCCCC1 4a_100000189765_100000210434 [0,0,0,1,0,0|2,0,1]=4 3024 B11R1.91 CC(=O)NNC1CCCCC1 22a_100000709804_100000070787 [0,0,0,1,0,0|2,0,0]=3 3025 B11R1.91 CC(=O)NNC1CCOCC1 22a_100000687383_100000070787 [0,0,0,1,0,0|3,0,0]=4 3026 B11R1.91 NC(=O)CNC1CCCCC1 2230a_100000182618_100000747473 [0,0,0,1,0,0|2,0,1]=4 3027 B11R1.91 NC(=O)CNC1CCCCC1 34a_100000182618_100000187820 [0,0,0,1,0,0|2,0,1]=4 3028 B11R1.91 NC(=O)COC1CCCCC1 34a_100000210231_100000187820 [0,0,0,1,0,0|2,0,1]=4 3029 B11R1.91 NC(=O)COC1CCCCC1 7a_100000210231_100000187820 [0,0,0,1,0,0|2,0,1]=4 3030 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000210327_100000747473 [0,0,0,1,0,0|2,0,1]=4 3031 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000747473_100000210327 [0,0,0,1,0,0|2,0,1]=4 3032 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [0,0,0,1,0,0|2,0,1]=4 3033 B11R1.91 O=C([O-])CNC1CCCCC1 34a_100000182618_100020667443 [0,0,0,1,0,0|2,0,1]=4 3034 B11R1.91 O=C([O-])COC1CCCCC1 34a_100000210231_100020667443 [0,0,0,1,0,0|2,0,1]=4 3035 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100000210327_100020667443 [0,0,0,1,0,0|2,0,1]=4 3036 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100020667443_100000210327 [0,0,0,1,0,0|2,0,1]=4 3037 B11R1.91 [13CH3]C(=O)C=CC1=CCCCC1 1458a_100016289660_200025704644 [0,0,0,1,0,0|0,0,2]=3 3038 B11R1.91 [13CH3]C(=O)C=CC1CCCCC1 1458a_100102566626_200025704644 [0,0,0,1,0,0|0,0,0]=1 3039 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [0,0,0,1,0,0|0,0,2]=3 3040 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [0,0,0,1,0,0|1,0,2]=4 3041 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [0,0,0,1,0,0|1,0,1]=3 3042 B11R1.102 CC(=CCOCC1CC1C)C 34a_100000744939_100000761012 [0,0,0,1,0,0|2,0,1]=4 3043 B11R1.102 CC(=CCOCC1CC1C)C 7a_100000744939_100000761012 [0,0,0,1,0,0|2,0,1]=4 3044 B11R1.102 CC(=O)CCOCC1CC1C 7a_100000744939_100000053229 [0,0,0,1,0,0|1,0,2]=4 3045 B11R1.102 CC(=O)OCOCC1CC1C 34a_100000744939_100009813279 [0,0,0,1,0,0|2,0,1]=4 3046 B11R1.110 CCCN1CCCNC(=O)C1 2230a_100015190381_100000210303 [0,0,0,1,0,0|2,0,1]=4 3047 B11R1.143 CC(=O)C1CCCCCN1C 1458a_100015187800_200000210301 [0,0,0,1,0,0|1,0,2]=4 3048 B11R1.143 CN1CCCCCC1C(=O)[13CH3] 1458a_100015187800_200025704644 [0,0,0,1,0,0|1,0,2]=4 3049 B11R1.161 CC(=CCCN1CCC1C)C 269982a_100000755817_100011217483 [0,0,0,1,0,0|2,0,1]=4 3050 B11R1.161 CC(=CCCN1CCC1C)C 34a_100000755817_100011217483 [0,0,0,1,0,0|2,0,1]=4 3051 B11R1.161 CC(=O)CCCN1CCC1C 269982a_100000755817_100011215641 [0,0,0,1,0,0|1,0,2]=4 3052 B11R1.161 CC(=O)CCCN1CCC1C 34a_100000755817_100000685027 [0,0,0,1,0,0|1,0,2]=4 3053 B11R1.161 CC(=O)NCCN1CCC1C 269982a_100000755817_100000189650 [0,0,0,1,0,0|2,0,1]=4 3054 B11R1.161 CC(=O)OCCN1CCC1C 269982a_100000755817_100009814007 [0,0,0,1,0,0|2,0,1]=4 3055 B11R1.161 CC(=O)OCCN1CCC1C 34a_100000755817_100009814007 [0,0,0,1,0,0|2,0,1]=4 3056 B11R1.172 C=C(C)C=NNC1CCCC1 4a_100000737850_100000210575 [0,0,0,1,0,0|3,0,0]=4 3057 B11R1.172 C=C(C)CNCC1CCCC1 2230a_100000737975_100000748629 [0,0,0,1,0,0|2,0,1]=4 3058 B11R1.172 C=C(C)CNCC1CCCC1 34a_100000737975_100000748629 [0,0,0,1,0,0|2,0,1]=4 3059 B11R1.172 C=C(C)COCC1CCCC1 34a_100000210245_100000740388 [0,0,0,1,0,0|2,0,1]=4 3060 B11R1.172 C=C(C)COCC1CCCC1 34a_100000742336_100000748629 [0,0,0,1,0,0|2,0,1]=4 3061 B11R1.172 C=C(C)COCC1CCCC1 7a_100000742336_100000748629 [0,0,0,1,0,0|2,0,1]=4 3062 B11R1.172 C=C(C)CSCC1CCCC1 62a_100000740388_100000211660 [0,0,0,1,0,0|2,0,1]=4 3063 B11R1.172 C=C(C)CSCC1CCCC1 62a_100000748629_100000740388 [0,0,0,1,0,0|2,0,1]=4 3064 B11R1.172 CC(=CCCN1CCCC1)C 2230a_100000188435_100011217483 [0,0,0,1,0,0|2,0,1]=4 3065 B11R1.172 CC(=CCCN1CCCC1)C 269982a_100000188435_100011217483 [0,0,0,1,0,0|2,0,1]=4 3066 B11R1.172 CC(=CCNC1CCCC1)C 2230a_100000211070_100000761012 [0,0,0,1,0,0|2,0,1]=4 3067 B11R1.172 CC(=CCNC1CCCC1)C 270004a_100000718196_100000210133 [0,0,0,1,0,0|2,0,1]=4 3068 B11R1.172 CC(=CCNC1CCCC1)C 34a_100000211070_100000761012 [0,0,0,1,0,0|2,0,1]=4 3069 B11R1.172 CC(=CCNC1CCCC1)C 34a_100000718196_100000179811 [0,0,0,1,0,0|2,0,1]=4 3070 B11R1.172 CC(=CCOC1CCCC1)C 34a_100000210269_100000761012 [0,0,0,1,0,0|2,0,1]=4 3071 B11R1.172 CC(=CCOC1CCCC1)C 34a_100000753907_100000179811 [0,0,0,1,0,0|2,0,1]=4 3072 B11R1.172 CC(=CCOC1CCCC1)C 7a_100000210269_100000761012 [0,0,0,1,0,0|2,0,1]=4 3073 B11R1.172 CC(=CCSC1CCCC1)C 62a_100000761012_100000179811 [0,0,0,1,0,0|2,0,1]=4 3074 B11R1.172 CC(=CCSC1CCCC1)C 62a_100011217020_100000761012 [0,0,0,1,0,0|2,0,1]=4 3075 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [0,0,0,1,0,0|0,0,2]=3 3076 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000070787_100011445909 [0,0,0,1,0,0|1,0,2]=4 3077 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000743284_200000210301 [0,0,0,1,0,0|1,0,2]=4 3078 B11R1.172 CC(=O)CCCN1CCCC1 269982a_100000188435_100011215641 [0,0,0,1,0,0|1,0,2]=4 3079 B11R1.172 CC(=O)CCOC1CCCC1 34a_100000759926_100000179811 [0,0,0,1,0,0|1,0,2]=4 3080 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000210269_100000053229 [0,0,0,1,0,0|1,0,2]=4 3081 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000759926_100000179811 [0,0,0,1,0,0|1,0,2]=4 3082 B11R1.172 CC(=O)CCSC1CCCC1 62a_100000053229_100000179811 [0,0,0,1,0,0|1,0,2]=4 3083 B11R1.172 CC(=O)CCSC1CCCC1 62a_100011217020_100000053229 [0,0,0,1,0,0|1,0,2]=4 3084 B11R1.172 CC(=O)COCC1CCCC1 34a_100000211253_100000740388 [0,0,0,1,0,0|1,0,1]=3 3085 B11R1.172 CC(=O)COCC1CCCO1 1458a_100011223388_200000210301 [0,0,0,1,0,0|2,0,1]=4 3086 B11R1.172 CC(=O)COCC1CCOC1 34a_100000211253_100011261433 [0,0,0,1,0,0|2,0,1]=4 3087 B11R1.172 CC(=O)CSCC1CCCO1 1458a_100000217298_200000210301 [0,0,0,1,0,0|2,0,1]=4 3088 B11R1.172 CC(=O)NCCC1CCCC1 11a_100000739158_100015343762 [0,0,0,1,0,0|1,0,1]=3 3089 B11R1.172 CC(=O)NCCC1CCCC1 1626a_100000739158_100015343762 [0,0,0,1,0,0|1,0,1]=3 3090 B11R1.172 CC(=O)NCCC1CCCC1 240690a_100000739158_100015343762 [0,0,0,1,0,0|1,0,1]=3 3091 B11R1.172 CC(=O)NCCC1CCCC1 527a_100000739158_100103153847 [0,0,0,1,0,0|1,0,1]=3 3092 B11R1.172 CC(=O)NCCN1CCCC1 2230a_100000188435_100000189650 [0,0,0,1,0,0|2,0,1]=4 3093 B11R1.172 CC(=O)NCCN1CCCC1 240690a_100000212299_100015343762 [0,0,0,1,0,0|2,0,1]=4 3094 B11R1.172 CC(=O)NCCN1CCCC1 269982a_100000188435_100000189650 [0,0,0,1,0,0|2,0,1]=4 3095 B11R1.172 CC(=O)NN=CC1CCCC1 4a_100000189765_100000746403 [0,0,0,1,0,0|2,0,1]=4 3096 B11R1.172 CC(=O)OCCN1CCCC1 269982a_100000188435_100009814007 [0,0,0,1,0,0|2,0,1]=4 3097 B11R1.172 CC(=O)OCNC1CCCC1 34a_100000211070_100009813279 [0,0,0,1,0,0|2,0,1]=4 3098 B11R1.172 CC(=O)OCOC1CCCC1 34a_100000210269_100009813279 [0,0,0,1,0,0|2,0,1]=4 3099 B11R1.172 CC(=O)OCSC1CCCC1 62a_100000076356_100000179811 [0,0,0,1,0,0|2,0,1]=4 3100 B11R1.172 CC(=O)OCSC1CCCC1 62a_100011217020_100000076356 [0,0,0,1,0,0|2,0,1]=4 3101 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000711301_100000740388 [0,0,0,1,0,0|2,0,1]=4 3102 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000737975_100000747473 [0,0,0,1,0,0|2,0,1]=4 3103 B11R1.172 NC(=O)CNCC1CCCC1 34a_100000737975_100000187820 [0,0,0,1,0,0|2,0,1]=4 3104 B11R1.172 NC(=O)COCC1CCCC1 34a_100000742336_100000187820 [0,0,0,1,0,0|2,0,1]=4 3105 B11R1.172 NC(=O)COCC1CCCC1 7a_100000742336_100000187820 [0,0,0,1,0,0|2,0,1]=4 3106 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000740388_100000747473 [0,0,0,1,0,0|2,0,1]=4 3107 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000747473_100000740388 [0,0,0,1,0,0|2,0,1]=4 3108 B11R1.172 O=C(O)CNCC1CCCC1 269956a_100016091260_100000740388 [0,0,0,1,0,0|2,0,1]=4 3109 B11R1.172 O=C([O-])CNCC1CCCC1 34a_100000737975_100020667443 [0,0,0,1,0,0|2,0,1]=4 3110 B11R1.172 O=C([O-])COCC1CCCC1 34a_100000742336_100020667443 [0,0,0,1,0,0|2,0,1]=4 3111 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100000740388_100020667443 [0,0,0,1,0,0|2,0,1]=4 3112 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100020667443_100000740388 [0,0,0,1,0,0|2,0,1]=4 3113 B11R1.172 [13CH3]C(=O)CCCN1CCCC1 1458a_100000743284_200025704644 [0,0,0,1,0,0|1,0,2]=4 3114 B11R1.172 [13CH3]C(=O)COCC1CCCO1 1458a_100011223388_200025704644 [0,0,0,1,0,0|2,0,1]=4 3115 B11R1.172 [13CH3]C(=O)CSCC1CCCO1 1458a_100000217298_200025704644 [0,0,0,1,0,0|2,0,1]=4 3116 B11R1.174 C=C(C)C=NNCC1CCC1 4a_200020586977_100000210575 [0,0,0,1,0,0|3,0,0]=4 3117 B11R1.174 CC(=CC=NNC1CCC1)C 4a_100000736358_100011215525 [0,0,0,1,0,0|3,0,0]=4 3118 B11R1.174 CC(=CCCNC1CCC1)C 2230a_100000749019_100011217483 [0,0,0,1,0,0|2,0,1]=4 3119 B11R1.174 CC(=CCCNC1CCC1)C 34a_100000749019_100011217483 [0,0,0,1,0,0|2,0,1]=4 3120 B11R1.174 CC(=CCCOC1CCC1)C 34a_100000748187_100011217483 [0,0,0,1,0,0|2,0,1]=4 3121 B11R1.174 CC(=CCCSC1CCC1)C 62a_100011217483_100000749161 [0,0,0,1,0,0|2,0,1]=4 3122 B11R1.174 CC(=CCNCC1CCC1)C 2230a_100000738700_100000761012 [0,0,0,1,0,0|2,0,1]=4 3123 B11R1.174 CC(=CCNCC1CCC1)C 34a_100000718196_100000763275 [0,0,0,1,0,0|2,0,1]=4 3124 B11R1.174 CC(=CCNCC1CCC1)C 34a_100000738700_100000761012 [0,0,0,1,0,0|2,0,1]=4 3125 B11R1.174 CC(=CCOCC1CCC1)C 34a_100000753907_100000763275 [0,0,0,1,0,0|2,0,1]=4 3126 B11R1.174 CC(=CCOCC1CCC1)C 34a_100000760304_100000761012 [0,0,0,1,0,0|2,0,1]=4 3127 B11R1.174 CC(=CCSCC1CCC1)C 62a_100000761012_100000763275 [0,0,0,1,0,0|2,0,1]=4 3128 B11R1.174 CC(=CCSCC1CCC1)C 62a_100000763275_100000761012 [0,0,0,1,0,0|2,0,1]=4 3129 B11R1.174 CC(=O)CCCCN1CCC1 269982a_100000754969_100000735457 [0,0,0,1,0,0|1,0,2]=4 3130 B11R1.174 CC(=O)CCCNC1CCC1 34a_100000749019_100000685027 [0,0,0,1,0,0|1,0,2]=4 3131 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000748187_100000685027 [0,0,0,1,0,0|1,0,2]=4 3132 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000759063_100000749161 [0,0,0,1,0,0|1,0,2]=4 3133 B11R1.174 CC(=O)CCCSC1CCC1 62a_100011215641_100000749161 [0,0,0,1,0,0|1,0,2]=4 3134 B11R1.174 CC(=O)CCOCC1CCC1 34a_100000759926_100000763275 [0,0,0,1,0,0|1,0,2]=4 3135 B11R1.174 CC(=O)CCOCC1CCC1 7a_100000759926_100000763275 [0,0,0,1,0,0|1,0,2]=4 3136 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000053229_100000763275 [0,0,0,1,0,0|1,0,2]=4 3137 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000763275_100000053229 [0,0,0,1,0,0|1,0,2]=4 3138 B11R1.174 CC(=O)NCCNC1CCC1 2230a_100000749019_100000189650 [0,0,0,1,0,0|2,0,1]=4 3139 B11R1.174 CC(=O)NCCOC1CCC1 34a_100000158858_100000749161 [0,0,0,1,0,0|2,0,1]=4 3140 B11R1.174 CC(=O)NCCSC1CCC1 62a_100000189650_100000749161 [0,0,0,1,0,0|2,0,1]=4 3141 B11R1.174 CC(=O)OCCCN1CCC1 269982a_100000754969_100000042594 [0,0,0,1,0,0|2,0,1]=4 3142 B11R1.174 CC(=O)OCCNC1CCC1 34a_100000749019_100009814007 [0,0,0,1,0,0|2,0,1]=4 3143 B11R1.174 CC(=O)OCCOC1CCC1 34a_100000748187_100009814007 [0,0,0,1,0,0|2,0,1]=4 3144 B11R1.174 CC(=O)OCCSC1CCC1 62a_100009814007_100000749161 [0,0,0,1,0,0|2,0,1]=4 3145 B11R1.174 CC(=O)OCNCC1CCC1 34a_100000738700_100009813279 [0,0,0,1,0,0|2,0,1]=4 3146 B11R1.174 CC(=O)OCOCC1CCC1 34a_100000760304_100009813279 [0,0,0,1,0,0|2,0,1]=4 3147 B11R1.174 CC(=O)OCSCC1CCC1 62a_100000076356_100000763275 [0,0,0,1,0,0|2,0,1]=4 3148 B11R1.174 CC(=O)OCSCC1CCC1 62a_100000763275_100000076356 [0,0,0,1,0,0|2,0,1]=4 3149 B11R1.174 CC(=O)SCCCN1CCC1 269982a_100000754969_100000038929 [0,0,0,1,0,0|2,0,1]=4 3150 B11R1.176 CC(=CC=NNCC1CC1)C 4a_100000736359_100011215525 [0,0,0,1,0,0|3,0,0]=4 3151 B11R1.176 CC(=CCCNCC1CC1)C 2230a_100000735609_100011217483 [0,0,0,1,0,0|2,0,1]=4 3152 B11R1.176 CC(=CCCNCC1CC1)C 34a_100000735609_100011217483 [0,0,0,1,0,0|2,0,1]=4 3153 B11R1.176 CC(=CCCOCC1CC1)C 34a_100000211283_100011217483 [0,0,0,1,0,0|2,0,1]=4 3154 B11R1.176 CC(=CCCSCC1CC1)C 62a_100000756562_100011217483 [0,0,0,1,0,0|2,0,1]=4 3155 B11R1.176 CC(=CCCSCC1CC1)C 62a_100011217483_100000742324 [0,0,0,1,0,0|2,0,1]=4 3156 B11R1.176 CC(=CCNCCC1CC1)C 34a_100000718196_100000694398 [0,0,0,1,0,0|2,0,1]=4 3157 B11R1.176 CC(=CCNCCC1CC1)C 34a_100000764129_100000761012 [0,0,0,1,0,0|2,0,1]=4 3158 B11R1.176 CC(=CCOCCC1CC1)C 34a_100000753907_100000694398 [0,0,0,1,0,0|2,0,1]=4 3159 B11R1.176 CC(=CCOCCC1CC1)C 34a_100000754188_100000761012 [0,0,0,1,0,0|2,0,1]=4 3160 B11R1.176 CC(=CCOCCC1CC1)C 7a_100000754188_100000761012 [0,0,0,1,0,0|2,0,1]=4 3161 B11R1.176 CC(=CCSCCC1CC1)C 62a_100000761012_100000764125 [0,0,0,1,0,0|2,0,1]=4 3162 B11R1.176 CC(=CCSCCC1CC1)C 62a_100000764125_100000761012 [0,0,0,1,0,0|2,0,1]=4 3163 B11R1.176 CC(=O)CCCCNC1CC1 34a_100000212008_100009817362 [0,0,0,1,0,0|1,0,2]=4 3164 B11R1.176 CC(=O)CCCCSC1CC1 62a_100000735457_100000211595 [0,0,0,1,0,0|1,0,2]=4 3165 B11R1.176 CC(=O)CCCNCC1CC1 34a_100000735609_100000685027 [0,0,0,1,0,0|1,0,2]=4 3166 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000211283_100000685027 [0,0,0,1,0,0|1,0,2]=4 3167 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000759063_100000742324 [0,0,0,1,0,0|1,0,2]=4 3168 B11R1.176 CC(=O)CCCOCC1CC1 7a_100000759063_100000742324 [0,0,0,1,0,0|1,0,2]=4 3169 B11R1.176 CC(=O)CCCSCC1CC1 62a_100000756562_100011215641 [0,0,0,1,0,0|1,0,2]=4 3170 B11R1.176 CC(=O)CCCSCC1CC1 62a_100011215641_100000742324 [0,0,0,1,0,0|1,0,2]=4 3171 B11R1.176 CC(=O)CCOCCC1CC1 34a_100000759926_100000694398 [0,0,0,1,0,0|1,0,2]=4 3172 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000754188_100000053229 [0,0,0,1,0,0|1,0,2]=4 3173 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000759926_100000764125 [0,0,0,1,0,0|1,0,2]=4 3174 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000053229_100000764125 [0,0,0,1,0,0|1,0,2]=4 3175 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000764125_100000053229 [0,0,0,1,0,0|1,0,2]=4 3176 B11R1.176 CC(=O)COCCCC1CO1 34a_100000211253_100000733510 [0,0,0,1,0,0|2,0,1]=4 3177 B11R1.176 CC(=O)NCCCNC1CC1 34a_100000736810_100000211595 [0,0,0,1,0,0|2,0,1]=4 3178 B11R1.176 CC(=O)NCCCOC1CC1 34a_100000752032_100000211595 [0,0,0,1,0,0|2,0,1]=4 3179 B11R1.176 CC(=O)NCCNCC1CC1 2230a_100000209853_100000742324 [0,0,0,1,0,0|2,0,1]=4 3180 B11R1.176 CC(=O)NCCNCC1CC1 2230a_100000735609_100000189650 [0,0,0,1,0,0|2,0,1]=4 3181 B11R1.176 CC(=O)NCCNCC1CC1 269862a_100000209853_100000741477 [0,0,0,1,0,0|2,0,1]=4 3182 B11R1.176 CC(=O)NCCOCC1CC1 34a_100000158858_100000742324 [0,0,0,1,0,0|2,0,1]=4 3183 B11R1.176 CC(=O)NCCSCC1CC1 62a_100000189650_100000742324 [0,0,0,1,0,0|2,0,1]=4 3184 B11R1.176 CC(=O)NCCSCC1CC1 62a_100000756562_100000189650 [0,0,0,1,0,0|2,0,1]=4 3185 B11R1.176 CC(=O)OCCCNC1CC1 34a_100000212008_100000042594 [0,0,0,1,0,0|2,0,1]=4 3186 B11R1.176 CC(=O)OCCCSC1CC1 62a_100000042594_100000211595 [0,0,0,1,0,0|2,0,1]=4 3187 B11R1.176 CC(=O)OCCNCC1CC1 34a_100000735609_100009814007 [0,0,0,1,0,0|2,0,1]=4 3188 B11R1.176 CC(=O)OCCOCC1CC1 34a_100000211283_100009814007 [0,0,0,1,0,0|2,0,1]=4 3189 B11R1.176 CC(=O)OCCSCC1CC1 62a_100000756562_100009814007 [0,0,0,1,0,0|2,0,1]=4 3190 B11R1.176 CC(=O)OCCSCC1CC1 62a_100009814007_100000742324 [0,0,0,1,0,0|2,0,1]=4 3191 B11R1.176 CC(=O)OCNCCC1CC1 34a_100000764129_100009813279 [0,0,0,1,0,0|2,0,1]=4 3192 B11R1.176 CC(=O)OCOCCC1CC1 34a_100000754188_100009813279 [0,0,0,1,0,0|2,0,1]=4 3193 B11R1.176 CC(=O)OCSCCC1CC1 62a_100000076356_100000764125 [0,0,0,1,0,0|2,0,1]=4 3194 B11R1.176 CC(=O)OCSCCC1CC1 62a_100000764125_100000076356 [0,0,0,1,0,0|2,0,1]=4 3195 B11R1.176 CC(=O)SCCCNC1CC1 34a_100000212008_100000038929 [0,0,0,1,0,0|2,0,1]=4 3196 B11R1.176 CC(=O)SCCCSC1CC1 62a_100000038929_100000211595 [0,0,0,1,0,0|2,0,1]=4 3197 B11R1.176 CC(=O)SCCNCC1CC1 269862a_100020647217_100000741477 [0,0,0,1,0,0|2,0,1]=4 3198 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 34a_100012242843_200025704644 [0,0,0,1,0,0|2,0,1]=4 3199 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 7a_100012242843_200025704644 [0,0,0,1,0,0|2,0,1]=4 3200 B11R1.193 COC[C@@H]1CCCN1C(=O)C 11a_100020646714_100015343762 [0,0,0,1,0,0|2,0,1]=4 3201 B11R1.193 COC[C@@H]1CCCN1C(=O)C 1626a_100020646714_100015343762 [0,0,0,1,0,0|2,0,1]=4 3202 B11R1.193 COC[C@@H]1CCCN1C(=O)C 240690a_100020646714_100015343762 [0,0,0,1,0,0|2,0,1]=4 3203 B11R1.193 COC[C@H]1CCCN1C(=O)C 34a_100012242843_200000210301 [0,0,0,1,0,0|2,0,1]=4 3204 B11R1.193 COC[C@H]1CCCN1C(=O)C 7a_100012242843_200000210301 [0,0,0,1,0,0|2,0,1]=4 3205 B11R1.706 CC(=O)N1CCCCCCC1 11a_100000211400_100015343762 [0,0,0,1,0,0|1,0,1]=3 3206 B11R1.706 CC(=O)N1CCCCCCC1 1626a_100000211400_100015343762 [0,0,0,1,0,0|1,0,1]=3 3207 B11R1.706 CC(=O)N1CCCCCCC1 240690a_100000211400_100015343762 [0,0,0,1,0,0|1,0,1]=3 3208 B11R1.706 CC(=O)N1CCCCCCC1 527a_100000211400_100103153847 [0,0,0,1,0,0|1,0,1]=3 3209 B11R1.742 C=C(C)CN1CCCCCC1 2230a_100000185865_100000748629 [0,0,0,1,0,0|2,0,1]=4 3210 B11R1.742 C=C(C)CN1CCCCCC1 269982a_100000185865_100000748629 [0,0,0,1,0,0|2,0,1]=4 3211 B11R1.742 C=C(C)CN1CCCCCC1 34a_100000185865_100000748629 [0,0,0,1,0,0|2,0,1]=4 3212 B11R1.742 CC(=O)C=C1CCCCCC1 1458a_100011240665_200000210301 [0,0,0,1,0,0|0,0,0]=1 3213 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,0,0,1,0,0|0,0,2]=3 3214 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,0,0,1,0,0|0,0,2]=3 3215 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [0,0,0,1,0,0|1,0,1]=3 3216 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [0,0,0,1,0,0|1,0,1]=3 3217 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [0,0,0,1,0,0|1,0,1]=3 3218 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [0,0,0,1,0,0|1,0,1]=3 3219 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [0,0,0,1,0,0|1,0,1]=3 3220 B11R1.742 NC(=O)CN1CCCCCC1 2230a_100000185865_100000747473 [0,0,0,1,0,0|2,0,1]=4 3221 B11R1.742 NC(=O)CN1CCCCCC1 269982a_100000185865_100000187820 [0,0,0,1,0,0|2,0,1]=4 3222 B11R1.742 NC(=O)CN1CCCCCC1 34a_100000185865_100000187820 [0,0,0,1,0,0|2,0,1]=4 3223 B11R1.742 O=C([O-])CN1CCCCCC1 269982a_100000185865_100020667443 [0,0,0,1,0,0|2,0,1]=4 3224 B11R1.742 O=C([O-])CN1CCCCCC1 34a_100000185865_100020667443 [0,0,0,1,0,0|2,0,1]=4 3225 B11R1.742 [13CH3]C(=O)C=C1CCCCCC1 1458a_100011240665_200025704644 [0,0,0,1,0,0|0,0,0]=1 3226 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,0,0,1,0,0|0,0,2]=3 3227 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [0,0,0,1,0,0|1,0,1]=3 3228 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [2,0,0,0,0,0|1,0,1]=4 3229 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [2,0,0,0,0,0|1,0,0]=3 3230 B8R0.4 C/C=C/CCOCCF 34a_100016278192_100011217306 [2,0,0,0,0,0|2,0,0]=4 3231 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [2,0,0,0,0,0|2,0,0]=4 3232 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [2,0,0,0,0,0|2,0,0]=4 3233 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [2,0,0,0,0,0|1,0,0]=3 3234 B8R0.4 C/C=C/CNCCCF 34a_100015189416_100102629194 [2,0,0,0,0,0|2,0,0]=4 3235 B8R0.4 C/C=C/COCCCBr 34a_100011217188_100102629194 [2,0,0,0,0,0|2,0,0]=4 3236 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [2,0,0,0,0,0|1,0,0]=3 3237 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [2,0,0,0,0,0|1,0,0]=3 3238 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [2,0,0,0,0,0|1,0,0]=3 3239 B8R0.4 C/C=C/COCCCCl 34a_100000230001_100102629194 [2,0,0,0,0,0|2,0,0]=4 3240 B8R0.4 C/C=C/COCCCF 34a_100000759539_100102629194 [2,0,0,0,0,0|2,0,0]=4 3241 B8R0.4 C/C=C/COCCCF 34a_100016270725_100011934791 [2,0,0,0,0,0|2,0,0]=4 3242 B8R0.4 C/C=C/COCCCN 34a_100000182051_100102629194 [2,0,0,0,0,0|2,0,0]=4 3243 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [2,0,0,0,0,0|2,0,0]=4 3244 B8R0.4 C/C=C/COCCOC 34a_100000210237_100102629194 [2,0,0,0,0,0|2,0,0]=4 3245 B8R0.4 C/C=C/COCCOC 34a_100016270725_100011201679 [2,0,0,0,0,0|2,0,0]=4 3246 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [2,0,0,0,0,0|2,0,0]=4 3247 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [2,0,0,0,0,0|2,0,0]=4 3248 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [2,0,0,0,0,0|2,0,0]=4 3249 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [2,0,0,0,0,0|1,0,0]=3 3250 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [2,0,0,0,0,0|1,0,0]=3 3251 B8R0.4 C/C=C/CSCCCF 62a_100011934791_100102629194 [2,0,0,0,0,0|2,0,0]=4 3252 B8R0.4 C/C=C/CSCCCF 62a_100102629194_100011934791 [2,0,0,0,0,0|2,0,0]=4 3253 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [2,0,0,0,0,0|2,0,0]=4 3254 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [2,0,0,0,0,0|2,0,0]=4 3255 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [2,0,0,0,0,0|2,0,0]=4 3256 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [2,0,0,0,0,0|2,0,0]=4 3257 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [2,0,0,0,0,0|2,0,0]=4 3258 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [2,0,0,0,0,0|2,0,0]=4 3259 B8R0.4 C/C=C/CSCOCC 62a_100000739092_100102629194 [2,0,0,0,0,0|2,0,0]=4 3260 B8R0.4 C/C=C/CSCOCC 62a_100102629194_100000739092 [2,0,0,0,0,0|2,0,0]=4 3261 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [2,0,0,0,0,0|1,0,1]=4 3262 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [2,0,0,0,0,0|1,0,1]=4 3263 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [2,0,0,0,0,0|1,0,1]=4 3264 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [2,0,0,0,0,0|1,0,1]=4 3265 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [2,0,0,0,0,0|1,0,1]=4 3266 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [2,0,0,0,0,0|1,0,1]=4 3267 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [2,0,0,0,0,0|1,0,1]=4 3268 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [2,0,0,0,0,0|1,0,1]=4 3269 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [2,0,0,0,0,0|1,0,1]=4 3270 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [2,0,0,0,0,0|1,0,1]=4 3271 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [2,0,0,0,0,0|1,0,1]=4 3272 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [2,0,0,0,0,0|1,0,1]=4 3273 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [2,0,0,0,0,0|1,0,1]=4 3274 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [2,0,0,0,0,0|1,0,1]=4 3275 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [2,0,0,0,0,0|1,0,1]=4 3276 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [2,0,0,0,0,0|1,0,1]=4 3277 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [2,0,0,0,0,0|1,0,1]=4 3278 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [2,0,0,0,0,0|1,0,1]=4 3279 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [2,0,0,0,0,0|1,0,1]=4 3280 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [2,0,0,0,0,0|1,0,1]=4 3281 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [2,0,0,0,0,0|1,0,1]=4 3282 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [2,0,0,0,0,0|1,0,1]=4 3283 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [2,0,0,0,0,0|1,0,1]=4 3284 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [2,0,0,0,0,0|1,0,1]=4 3285 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [2,0,0,0,0,0|1,0,1]=4 3286 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [2,0,0,0,0,0|1,0,1]=4 3287 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [2,0,0,0,0,0|1,0,1]=4 3288 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [2,0,0,0,0,0|1,0,1]=4 3289 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [2,0,0,0,0,0|1,0,1]=4 3290 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [2,0,0,0,0,0|1,0,1]=4 3291 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [2,0,0,0,0,0|1,0,1]=4 3292 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [2,0,0,0,0,0|1,0,1]=4 3293 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [2,0,0,0,0,0|1,0,1]=4 3294 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [2,0,0,0,0,0|1,0,1]=4 3295 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [2,0,0,0,0,0|1,0,1]=4 3296 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [2,0,0,0,0,0|1,0,1]=4 3297 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [2,0,0,0,0,0|1,0,1]=4 3298 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [2,0,0,0,0,0|1,0,1]=4 3299 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [2,0,0,0,0,0|1,0,1]=4 3300 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [2,0,0,0,0,0|1,0,1]=4 3301 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [2,0,0,0,0,0|1,0,1]=4 3302 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [2,0,0,0,0,0|1,0,1]=4 3303 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [2,0,0,0,0,0|2,0,0]=4 3304 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [2,0,0,0,0,0|2,0,0]=4 3305 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [2,0,0,0,0,0|2,0,0]=4 3306 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [2,0,0,0,0,0|2,0,0]=4 3307 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [2,0,0,0,0,0|2,0,0]=4 3308 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [2,0,0,0,0,0|2,0,0]=4 3309 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [2,0,0,0,0,0|2,0,0]=4 3310 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [2,0,0,0,0,0|2,0,0]=4 3311 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [2,0,0,0,0,0|2,0,0]=4 3312 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [2,0,0,0,0,0|2,0,0]=4 3313 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [2,0,0,0,0,0|1,0,1]=4 3314 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [2,0,0,0,0,0|1,0,1]=4 3315 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [2,0,0,0,0,0|1,0,1]=4 3316 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [2,0,0,0,0,0|1,0,1]=4 3317 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [2,0,0,0,0,0|1,0,1]=4 3318 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [2,0,0,0,0,0|1,0,1]=4 3319 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [2,0,0,0,0,0|1,0,1]=4 3320 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [2,0,0,0,0,0|1,0,1]=4 3321 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [2,0,0,0,0,0|1,0,1]=4 3322 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [2,0,0,0,0,0|1,0,1]=4 3323 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [2,0,0,0,0,0|1,0,1]=4 3324 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [2,0,0,0,0,0|1,0,1]=4 3325 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [2,0,0,0,0,0|1,0,1]=4 3326 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [2,0,0,0,0,0|1,0,1]=4 3327 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [2,0,0,0,0,0|1,0,1]=4 3328 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [2,0,0,0,0,0|1,0,0]=3 3329 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [2,0,0,0,0,0|2,0,0]=4 3330 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [2,0,0,0,0,0|1,0,0]=3 3331 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [2,0,0,0,0,0|1,0,0]=3 3332 B8R0.4 CC=CCNCCCF 2230a_100015189416_100000070051 [2,0,0,0,0,0|2,0,0]=4 3333 B8R0.4 CC=CCNCCCF 34a_100015189416_100000070051 [2,0,0,0,0,0|2,0,0]=4 3334 B8R0.4 CC=CCNCCOC 2230a_100000209980_100000070051 [2,0,0,0,0,0|2,0,0]=4 3335 B8R0.4 CC=CCNCCSC 2230a_100020590264_100000070051 [2,0,0,0,0,0|2,0,0]=4 3336 B8R0.4 CC=CCOCCCBr 34a_100011217188_100000070051 [2,0,0,0,0,0|2,0,0]=4 3337 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [2,0,0,0,0,0|1,0,0]=3 3338 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [2,0,0,0,0,0|1,0,0]=3 3339 B8R0.4 CC=CCOCCCCl 34a_100000230001_100000070051 [2,0,0,0,0,0|2,0,0]=4 3340 B8R0.4 CC=CCOCCCF 34a_100000759539_100000070051 [2,0,0,0,0,0|2,0,0]=4 3341 B8R0.4 CC=CCOCCCN 34a_100000182051_100000070051 [2,0,0,0,0,0|2,0,0]=4 3342 B8R0.4 CC=CCOCCOC 34a_100000210237_100000070051 [2,0,0,0,0,0|2,0,0]=4 3343 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [2,0,0,0,0,0|2,0,0]=4 3344 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [2,0,0,0,0,0|2,0,0]=4 3345 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [2,0,0,0,0,0|1,0,0]=3 3346 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [2,0,0,0,0,0|1,0,0]=3 3347 B8R0.4 CC=CCSCCCF 62a_100000070051_100011934791 [2,0,0,0,0,0|2,0,0]=4 3348 B8R0.4 CC=CCSCCCF 62a_100011934791_100000070051 [2,0,0,0,0,0|2,0,0]=4 3349 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [2,0,0,0,0,0|2,0,0]=4 3350 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [2,0,0,0,0,0|2,0,0]=4 3351 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [2,0,0,0,0,0|2,0,0]=4 3352 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [2,0,0,0,0,0|2,0,0]=4 3353 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [2,0,0,0,0,0|2,0,0]=4 3354 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [2,0,0,0,0,0|2,0,0]=4 3355 B8R0.4 CC=CCSCOCC 62a_100000070051_100000739092 [2,0,0,0,0,0|2,0,0]=4 3356 B8R0.4 CC=CCSCOCC 62a_100000739092_100000070051 [2,0,0,0,0,0|2,0,0]=4 3357 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [2,0,0,0,0,0|2,0,0]=4 3358 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [2,0,0,0,0,0|1,0,1]=4 3359 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [2,0,0,0,0,0|1,0,1]=4 3360 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [2,0,0,0,0,0|1,0,1]=4 3361 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [2,0,0,0,0,0|1,0,1]=4 3362 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [2,0,0,0,0,0|1,0,1]=4 3363 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [2,0,0,0,0,0|1,0,1]=4 3364 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [2,0,0,0,0,0|1,0,1]=4 3365 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [2,0,0,0,0,0|1,0,1]=4 3366 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [2,0,0,0,0,0|1,0,1]=4 3367 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [2,0,0,0,0,0|1,0,1]=4 3368 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [2,0,0,0,0,0|1,0,1]=4 3369 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [2,0,0,0,0,0|1,0,1]=4 3370 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [2,0,0,0,0,0|1,0,1]=4 3371 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [2,0,0,0,0,0|1,0,1]=4 3372 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [2,0,0,0,0,0|1,0,1]=4 3373 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [2,0,0,0,0,0|1,0,1]=4 3374 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [2,0,0,0,0,0|1,0,1]=4 3375 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [2,0,0,0,0,0|1,0,1]=4 3376 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [2,0,0,0,0,0|1,0,1]=4 3377 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [2,0,0,0,0,0|1,0,1]=4 3378 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [2,0,0,0,0,0|1,0,1]=4 3379 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [2,0,0,0,0,0|1,0,1]=4 3380 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [2,0,0,0,0,0|1,0,1]=4 3381 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [2,0,0,0,0,0|1,0,1]=4 3382 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [2,0,0,0,0,0|1,0,1]=4 3383 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [2,0,0,0,0,0|1,0,1]=4 3384 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [2,0,0,0,0,0|1,0,1]=4 3385 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [2,0,0,0,0,0|1,0,1]=4 3386 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [2,0,0,0,0,0|1,0,1]=4 3387 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [2,0,0,0,0,0|1,0,1]=4 3388 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [2,0,0,0,0,0|1,0,1]=4 3389 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [2,0,0,0,0,0|1,0,1]=4 3390 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [2,0,0,0,0,0|1,0,1]=4 3391 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [2,0,0,0,0,0|1,0,1]=4 3392 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [2,0,0,0,0,0|1,0,1]=4 3393 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [2,0,0,0,0,0|1,0,1]=4 3394 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [2,0,0,0,0,0|1,0,1]=4 3395 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [2,0,0,0,0,0|0,0,2]=4 3396 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [2,0,0,0,0,0|0,0,2]=4 3397 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [2,0,0,0,0,0|0,0,2]=4 3398 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [2,0,0,0,0,0|2,0,0]=4 3399 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [2,0,0,0,0,0|2,0,0]=4 3400 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [2,0,0,0,0,0|2,0,0]=4 3401 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [2,0,0,0,0,0|2,0,0]=4 3402 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [2,0,0,0,0,0|2,0,0]=4 3403 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [2,0,0,0,0,0|2,0,0]=4 3404 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [2,0,0,0,0,0|2,0,0]=4 3405 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [2,0,0,0,0,0|2,0,0]=4 3406 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [2,0,0,0,0,0|2,0,0]=4 3407 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [2,0,0,0,0,0|2,0,0]=4 3408 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [2,0,0,0,0,0|2,0,0]=4 3409 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [2,0,0,0,0,0|0,0,2]=4 3410 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [2,0,0,0,0,0|0,0,2]=4 3411 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [2,0,0,0,0,0|0,0,2]=4 3412 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [2,0,0,0,0,0|1,0,1]=4 3413 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [2,0,0,0,0,0|1,0,0]=3 3414 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [2,0,0,0,0,0|1,0,0]=3 3415 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [2,0,0,0,0,0|1,0,0]=3 3416 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [2,0,0,0,0,0|1,0,0]=3 3417 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [2,0,0,0,0,0|1,0,0]=3 3418 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [2,0,0,0,0,0|2,0,0]=4 3419 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [2,0,0,0,0,0|2,0,0]=4 3420 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [2,0,0,0,0,0|2,0,0]=4 3421 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [2,0,0,0,0,0|2,0,0]=4 3422 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [2,0,0,0,0,0|2,0,0]=4 3423 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [2,0,0,0,0,0|2,0,0]=4 3424 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [2,0,0,0,0,0|2,0,0]=4 3425 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [2,0,0,0,0,0|2,0,0]=4 3426 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [2,0,0,0,0,0|2,0,0]=4 3427 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [2,0,0,0,0,0|2,0,0]=4 3428 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [2,0,0,0,0,0|2,0,0]=4 3429 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [2,0,0,0,0,0|2,0,0]=4 3430 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [2,0,0,0,0,0|2,0,0]=4 3431 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [2,0,0,0,0,0|2,0,0]=4 3432 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [2,0,0,0,0,0|2,0,0]=4 3433 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [2,0,0,0,0,0|2,0,0]=4 3434 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [2,0,0,0,0,0|2,0,0]=4 3435 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [2,0,0,0,0,0|2,0,0]=4 3436 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [2,0,0,0,0,0|2,0,0]=4 3437 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [2,0,0,0,0,0|2,0,0]=4 3438 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [2,0,0,0,0,0|2,0,0]=4 3439 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [2,0,0,0,0,0|2,0,0]=4 3440 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [2,0,0,0,0,0|2,0,0]=4 3441 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [2,0,0,0,0,0|2,0,0]=4 3442 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [2,0,0,0,0,0|0,0,2]=4 3443 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [2,0,0,0,0,0|0,0,2]=4 3444 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [2,0,0,0,0,0|0,0,2]=4 3445 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [2,0,0,0,0,0|0,0,0]=2 3446 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [2,0,0,0,0,0|0,0,0]=2 3447 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [2,0,0,0,0,0|0,0,0]=2 3448 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [2,0,0,0,0,0|0,0,0]=2 3449 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [2,0,0,0,0,0|0,0,0]=2 3450 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [2,0,0,0,0,0|2,0,0]=4 3451 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [2,0,0,0,0,0|2,0,0]=4 3452 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [2,0,0,0,0,0|2,0,0]=4 3453 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [2,0,0,0,0,0|2,0,0]=4 3454 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [2,0,0,0,0,0|2,0,0]=4 3455 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [2,0,0,0,0,0|2,0,0]=4 3456 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 3457 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 3458 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 3459 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [2,0,0,0,0,0|1,0,0]=3 3460 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [2,0,0,0,0,0|2,0,0]=4 3461 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [2,0,0,0,0,0|2,0,0]=4 3462 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [2,0,0,0,0,0|2,0,0]=4 3463 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [2,0,0,0,0,0|2,0,0]=4 3464 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [2,0,0,0,0,0|2,0,0]=4 3465 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [2,0,0,0,0,0|1,0,0]=3 3466 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [2,0,0,0,0,0|1,0,0]=3 3467 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [2,0,0,0,0,0|1,0,0]=3 3468 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [2,0,0,0,0,0|2,0,0]=4 3469 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [2,0,0,0,0,0|2,0,0]=4 3470 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [2,0,0,0,0,0|1,0,0]=3 3471 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [2,0,0,0,0,0|2,0,0]=4 3472 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [2,0,0,0,0,0|1,0,0]=3 3473 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [2,0,0,0,0,0|2,0,0]=4 3474 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [2,0,0,0,0,0|2,0,0]=4 3475 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [2,0,0,0,0,0|1,0,0]=3 3476 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [2,0,0,0,0,0|2,0,0]=4 3477 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [2,0,0,0,0,0|2,0,0]=4 3478 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [2,0,0,0,0,0|2,0,0]=4 3479 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [2,0,0,0,0,0|2,0,0]=4 3480 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [2,0,0,0,0,0|2,0,0]=4 3481 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [2,0,0,0,0,0|1,0,0]=3 3482 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [2,0,0,0,0,0|1,0,0]=3 3483 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [2,0,0,0,0,0|1,0,0]=3 3484 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [2,0,0,0,0,0|2,0,0]=4 3485 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [2,0,0,0,0,0|2,0,0]=4 3486 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [2,0,0,0,0,0|2,0,0]=4 3487 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [2,0,0,0,0,0|2,0,0]=4 3488 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [2,0,0,0,0,0|2,0,0]=4 3489 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [2,0,0,0,0,0|2,0,0]=4 3490 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [2,0,0,0,0,0|1,0,0]=3 3491 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [2,0,0,0,0,0|1,0,0]=3 3492 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [2,0,0,0,0,0|2,0,0]=4 3493 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [2,0,0,0,0,0|2,0,0]=4 3494 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [2,0,0,0,0,0|2,0,0]=4 3495 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [2,0,0,0,0,0|2,0,0]=4 3496 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [2,0,0,0,0,0|2,0,0]=4 3497 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [2,0,0,0,0,0|2,0,0]=4 3498 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [2,0,0,0,0,0|2,0,0]=4 3499 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [2,0,0,0,0,0|2,0,0]=4 3500 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [2,0,0,0,0,0|2,0,0]=4 3501 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [2,0,0,0,0,0|2,0,0]=4 3502 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [2,0,0,0,0,0|1,0,0]=3 3503 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [2,0,0,0,0,0|1,0,0]=3 3504 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [2,0,0,0,0,0|1,0,0]=3 3505 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [2,0,0,0,0,0|1,0,0]=3 3506 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [2,0,0,0,0,0|2,0,0]=4 3507 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [2,0,0,0,0,0|2,0,0]=4 3508 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [2,0,0,0,0,0|2,0,0]=4 3509 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [2,0,0,0,0,0|2,0,0]=4 3510 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [2,0,0,0,0,0|2,0,0]=4 3511 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [2,0,0,0,0,0|2,0,0]=4 3512 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [2,0,0,0,0,0|2,0,0]=4 3513 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [2,0,0,0,0,0|2,0,0]=4 3514 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [2,0,0,0,0,0|2,0,0]=4 3515 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [2,0,0,0,0,0|1,0,0]=3 3516 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [2,0,0,0,0,0|1,0,0]=3 3517 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [2,0,0,0,0,0|2,0,0]=4 3518 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [2,0,0,0,0,0|2,0,0]=4 3519 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 3520 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 3521 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 3522 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [2,0,0,0,0,0|2,0,0]=4 3523 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [2,0,0,0,0,0|2,0,0]=4 3524 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [2,0,0,0,0,0|2,0,0]=4 3525 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [2,0,0,0,0,0|2,0,0]=4 3526 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [2,0,0,0,0,0|2,0,0]=4 3527 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [2,0,0,0,0,0|1,0,0]=3 3528 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [2,0,0,0,0,0|1,0,0]=3 3529 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [2,0,0,0,0,0|2,0,0]=4 3530 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [2,0,0,0,0,0|2,0,0]=4 3531 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [2,0,0,0,0,0|2,0,0]=4 3532 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [2,0,0,0,0,0|2,0,0]=4 3533 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [2,0,0,0,0,0|2,0,0]=4 3534 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [2,0,0,0,0,0|2,0,0]=4 3535 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [2,0,0,0,0,0|2,0,0]=4 3536 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [2,0,0,0,0,0|1,0,0]=3 3537 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [2,0,0,0,0,0|1,0,0]=3 3538 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [2,0,0,0,0,0|2,0,0]=4 3539 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [2,0,0,0,0,0|2,0,0]=4 3540 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [2,0,0,0,0,0|2,0,0]=4 3541 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [2,0,0,0,0,0|2,0,0]=4 3542 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [2,0,0,0,0,0|2,0,0]=4 3543 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [2,0,0,0,0,0|2,0,0]=4 3544 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [2,0,0,0,0,0|2,0,0]=4 3545 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [2,0,0,0,0,0|2,0,0]=4 3546 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [2,0,0,0,0,0|2,0,0]=4 3547 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [2,0,0,0,0,0|2,0,0]=4 3548 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [2,0,0,0,0,0|2,0,0]=4 3549 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [2,0,0,0,0,0|2,0,0]=4 3550 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [2,0,0,0,0,0|2,0,0]=4 3551 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [2,0,0,0,0,0|1,0,0]=3 3552 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [2,0,0,0,0,0|1,0,0]=3 3553 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 3554 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 3555 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 3556 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [2,0,0,0,0,0|2,0,0]=4 3557 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [2,0,0,0,0,0|2,0,0]=4 3558 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [2,0,0,0,0,0|2,0,0]=4 3559 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [2,0,0,0,0,0|2,0,0]=4 3560 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [2,0,0,0,0,0|2,0,0]=4 3561 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [2,0,0,0,0,0|2,0,0]=4 3562 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [2,0,0,0,0,0|2,0,0]=4 3563 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [2,0,0,0,0,0|2,0,0]=4 3564 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [2,0,0,0,0,0|2,0,0]=4 3565 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [2,0,0,0,0,0|1,0,0]=3 3566 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [2,0,0,0,0,0|2,0,0]=4 3567 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [2,0,0,0,0,0|2,0,0]=4 3568 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [2,0,0,0,0,0|2,0,0]=4 3569 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [2,0,0,0,0,0|2,0,0]=4 3570 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [1,1,0,0,0,0|1,0,1]=4 3571 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [1,1,0,0,0,0|0,0,2]=4 3572 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [1,1,0,0,0,0|1,0,1]=4 3573 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [1,1,0,0,0,0|1,0,1]=4 3574 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [1,1,0,0,0,0|1,0,1]=4 3575 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [1,1,0,0,0,0|1,0,1]=4 3576 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [1,1,0,0,0,0|1,0,1]=4 3577 B10R0.3 CCCC(C)NCC=C(C)C 2230a_100000741246_100000761012 [1,1,0,0,0,0|2,0,0]=4 3578 B10R0.3 CCCC(C)NCC=C(C)C 270004a_100000718196_100000211909 [1,1,0,0,0,0|2,0,0]=4 3579 B10R0.3 CCCC(C)NCC=C(C)C 34a_100000718196_100000766640 [1,1,0,0,0,0|2,0,0]=4 3580 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000753907_100000766640 [1,1,0,0,0,0|2,0,0]=4 3581 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000764384_100000761012 [1,1,0,0,0,0|2,0,0]=4 3582 B10R0.3 CCCC(C)OCC=C(C)C 7a_100000764384_100000761012 [1,1,0,0,0,0|2,0,0]=4 3583 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [1,1,0,0,0,0|1,0,1]=4 3584 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [1,1,0,0,0,0|1,0,1]=4 3585 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [1,1,0,0,0,0|1,0,1]=4 3586 B10R0.3 CCCC(C)OCOC(=O)C 34a_100000764384_100009813279 [1,1,0,0,0,0|2,0,0]=4 3587 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000761012_100000766640 [1,1,0,0,0,0|2,0,0]=4 3588 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000766640_100000761012 [1,1,0,0,0,0|2,0,0]=4 3589 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [1,1,0,0,0,0|1,0,1]=4 3590 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [1,1,0,0,0,0|1,0,1]=4 3591 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000076356_100000766640 [1,1,0,0,0,0|2,0,0]=4 3592 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000766640_100000076356 [1,1,0,0,0,0|2,0,0]=4 3593 B10R0.3 CCCN(C)CCC=C(C)C 2230a_100000747261_100011217483 [1,1,0,0,0,0|2,0,0]=4 3594 B10R0.3 CCCN(C)CCC=C(C)C 269982a_100000747261_100011217483 [1,1,0,0,0,0|2,0,0]=4 3595 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [1,1,0,0,0,0|1,0,1]=4 3596 B10R0.3 CCCN(C)CCNC(=O)C 2230a_100000747261_100000189650 [1,1,0,0,0,0|2,0,0]=4 3597 B10R0.3 CCCN(C)CCNC(=O)C 269982a_100000747261_100000189650 [1,1,0,0,0,0|2,0,0]=4 3598 B10R0.3 CCCN(C)CCOC(=O)C 269982a_100000747261_100009814007 [1,1,0,0,0,0|2,0,0]=4 3599 B10R0.3 CCNC(C)CCC=C(C)C 270004a_100015525214_100000765506 [1,1,0,0,0,0|2,0,0]=4 3600 B10R0.3 CCOC(C)CCC=C(C)C 34a_100102619829_100000210202 [1,1,0,0,0,0|2,0,0]=4 3601 B10R0.3 CCOC(C)CCC=C(C)C 7a_100102619829_100000210202 [1,1,0,0,0,0|2,0,0]=4 3602 B10R0.3 CNCC(C)CCC=C(C)C 270004a_106832991635_100000033009 [1,1,0,0,0,0|2,0,0]=4 3603 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [1,1,0,0,0,0|1,0,1]=4 3604 B10R0.6 CC(=CC(=O)CCCCF)C 1458a_100000211388_100000729493 [1,1,0,0,0,0|2,0,0]=4 3605 B10R0.6 CC(=CC(=O)CCCCF)Cl 1458a_200042562850_100000729493 [1,1,0,0,0,0|2,0,0]=4 3606 B10R0.6 CC(=CC(=O)CCCCF)I 1458a_100025716642_100000729493 [1,1,0,0,0,0|2,0,0]=4 3607 B10R0.6 CC(=CC(=O)CCCCO)C 1458a_100000211388_100000210776 [1,1,0,0,0,0|2,0,0]=4 3608 B10R0.6 CC(=CC(=O)CCCCO)Cl 1458a_200042562850_100000210776 [1,1,0,0,0,0|2,0,0]=4 3609 B10R0.6 CC(=CC(=O)CCCCO)I 1458a_100025716642_100000210776 [1,1,0,0,0,0|2,0,0]=4 3610 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [1,1,0,0,0,0|1,0,0]=3 3611 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [1,1,0,0,0,0|1,0,0]=3 3612 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [1,1,0,0,0,0|1,0,0]=3 3613 B10R0.6 CCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210326 [1,1,0,0,0,0|2,0,0]=4 3614 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [1,1,0,0,0,0|0,0,1]=3 3615 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [1,1,0,0,0,0|1,0,1]=4 3616 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [1,1,0,0,0,0|1,0,1]=4 3617 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [1,1,0,0,0,0|1,0,1]=4 3618 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [1,1,0,0,0,0|1,0,0]=3 3619 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [1,1,0,0,0,0|1,0,0]=3 3620 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [1,1,0,0,0,0|1,0,0]=3 3621 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [1,1,0,0,0,0|1,0,0]=3 3622 B10R0.6 CCCCNC(=O)C=C(C)C 11a_100000102301_100000211388 [1,1,0,0,0,0|2,0,0]=4 3623 B10R0.6 CCCCNC(=O)C=C(C)C 1626a_100000102301_100000211388 [1,1,0,0,0,0|2,0,0]=4 3624 B10R0.6 CCCCNC(=O)C=C(C)C 240690a_100000102301_100000211388 [1,1,0,0,0,0|2,0,0]=4 3625 B10R0.6 CCCCNC(=O)C=C(C)Cl 11a_100000102301_200042562850 [1,1,0,0,0,0|2,0,0]=4 3626 B10R0.6 CCCCNC(=O)C=C(C)Cl 1626a_100000102301_200042562850 [1,1,0,0,0,0|2,0,0]=4 3627 B10R0.6 CCCCNC(=O)C=C(C)Cl 240690a_100000102301_200042562850 [1,1,0,0,0,0|2,0,0]=4 3628 B10R0.6 CCCCNC(=O)C=C(C)I 11a_100000102301_100025716642 [1,1,0,0,0,0|2,0,0]=4 3629 B10R0.6 CCCCNC(=O)C=C(C)I 1626a_100000102301_100025716642 [1,1,0,0,0,0|2,0,0]=4 3630 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [1,1,0,0,0,0|1,0,1]=4 3631 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [1,1,0,0,0,0|1,0,1]=4 3632 B10R0.6 CCCCOC(C)C=C(C)C 34a_100000717055_100000210210 [1,1,0,0,0,0|2,0,0]=4 3633 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [1,1,0,0,0,0|2,0,0]=4 3634 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [1,1,0,0,0,0|2,0,0]=4 3635 B10R0.6 CCCSCC(=O)NC(=O)C 62a_100000210303_100000183797 [1,1,0,0,0,0|2,0,0]=4 3636 B10R0.6 CCOCCC(=O)C=C(C)C 1458a_100000211388_100011215890 [1,1,0,0,0,0|2,0,0]=4 3637 B10R0.6 CCOCCC(=O)C=C(C)Cl 1458a_200042562850_100011215890 [1,1,0,0,0,0|2,0,0]=4 3638 B10R0.6 CCOCCC(=O)C=C(C)I 1458a_100025716642_100011215890 [1,1,0,0,0,0|2,0,0]=4 3639 B10R0.6 CCSCCC(=O)C=C(C)C 1458a_100000211388_100000757381 [1,1,0,0,0,0|2,0,0]=4 3640 B10R0.6 CCSCCC(=O)C=C(C)Cl 1458a_200042562850_100000757381 [1,1,0,0,0,0|2,0,0]=4 3641 B10R0.6 CCSCCC(=O)C=C(C)I 1458a_100025716642_100000757381 [1,1,0,0,0,0|2,0,0]=4 3642 B10R0.6 COCCCC(=O)C=C(C)C 1458a_100000211388_100000740836 [1,1,0,0,0,0|2,0,0]=4 3643 B10R0.6 COCCCC(=O)C=C(C)Cl 1458a_200042562850_100000740836 [1,1,0,0,0,0|2,0,0]=4 3644 B10R0.6 COCCCC(=O)C=C(C)I 1458a_100025716642_100000740836 [1,1,0,0,0,0|2,0,0]=4 3645 B10R0.22 CCCCCCNS(=O)(=O)C 40a_100000210581_100000738038 [1,1,0,0,0,0|2,0,0]=4 3646 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [1,1,0,0,0,0|0,0,2]=4 3647 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [1,1,0,0,0,0|1,0,1]=4 3648 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [1,1,0,0,0,0|1,0,1]=4 3649 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [1,1,0,0,0,0|1,0,1]=4 3650 B10R0.55 CCC(C)CNCC=C(C)C 2230a_100020588543_100000761012 [1,1,0,0,0,0|2,0,0]=4 3651 B10R0.55 CCC(C)CNCC=C(C)C 270004a_100000718196_100000243153 [1,1,0,0,0,0|2,0,0]=4 3652 B10R0.55 CCC(C)CNCC=C(C)C 34a_100000718196_100000748023 [1,1,0,0,0,0|2,0,0]=4 3653 B10R0.55 CCC(C)COCC=C(C)C 34a_100000753907_100000748023 [1,1,0,0,0,0|2,0,0]=4 3654 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [1,1,0,0,0,0|1,0,1]=4 3655 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [1,1,0,0,0,0|1,0,1]=4 3656 B10R0.55 CCC(C)CSCC=C(C)C 62a_100000748023_100000761012 [1,1,0,0,0,0|2,0,0]=4 3657 B10R0.55 CCC(C)CSCC=C(C)C 62a_100000761012_100000748023 [1,1,0,0,0,0|2,0,0]=4 3658 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [1,1,0,0,0,0|1,0,1]=4 3659 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [1,1,0,0,0,0|1,0,1]=4 3660 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000076356_100000748023 [1,1,0,0,0,0|2,0,0]=4 3661 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000748023_100000076356 [1,1,0,0,0,0|2,0,0]=4 3662 B10R0.55 CCC(C)NCCC=C(C)C 2230a_100000209981_100011217483 [1,1,0,0,0,0|2,0,0]=4 3663 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209853_100000758301 [1,1,0,0,0,0|2,0,0]=4 3664 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209981_100000189650 [1,1,0,0,0,0|2,0,0]=4 3665 B10R0.55 CCC(C)OCCC=C(C)C 7a_100000210228_100011217483 [1,1,0,0,0,0|2,0,0]=4 3666 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [1,1,0,0,0,0|1,0,1]=4 3667 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [1,1,0,0,0,0|1,0,1]=4 3668 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [1,1,0,0,0,0|1,0,1]=4 3669 B10R0.55 CCC(C)OCCNC(=O)C 34a_100000158858_100011215416 [1,1,0,0,0,0|2,0,0]=4 3670 B10R0.55 CCC(C)OCCNC(=O)C 7a_100000210228_100000189650 [1,1,0,0,0,0|2,0,0]=4 3671 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [1,1,0,0,0,0|2,0,0]=4 3672 B10R0.55 CCC(C)SCCC=C(C)C 62a_100000758301_100011217483 [1,1,0,0,0,0|2,0,0]=4 3673 B10R0.55 CCC(C)SCCC=C(C)C 62a_100011217483_100000758301 [1,1,0,0,0,0|2,0,0]=4 3674 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [1,1,0,0,0,0|1,0,1]=4 3675 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [1,1,0,0,0,0|1,0,1]=4 3676 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000189650_100000758301 [1,1,0,0,0,0|2,0,0]=4 3677 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000758301_100000189650 [1,1,0,0,0,0|2,0,0]=4 3678 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [1,1,0,0,0,0|2,0,0]=4 3679 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [1,1,0,0,0,0|2,0,0]=4 3680 B10R0.55 CCC(O)CNCC=C(C)C 2230a_100011218483_100000761012 [1,1,0,0,0,0|2,0,0]=4 3681 B10R0.55 CCC(O)CNCC=C(C)C 34a_100000718196_100011218378 [1,1,0,0,0,0|2,0,0]=4 3682 B10R0.55 CCC(O)COCC=C(C)C 34a_100000753907_100011218378 [1,1,0,0,0,0|2,0,0]=4 3683 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [1,1,0,0,0,0|1,0,1]=4 3684 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [1,1,0,0,0,0|1,0,1]=4 3685 B10R0.55 CCC(O)CSCC=C(C)C 62a_100000761012_100011218378 [1,1,0,0,0,0|2,0,0]=4 3686 B10R0.55 CCC(O)CSCC=C(C)C 62a_100011218378_100000761012 [1,1,0,0,0,0|2,0,0]=4 3687 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [1,1,0,0,0,0|1,0,1]=4 3688 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [1,1,0,0,0,0|1,0,1]=4 3689 B10R0.55 CCC(O)CSCOC(=O)C 62a_100000076356_100011218378 [1,1,0,0,0,0|2,0,0]=4 3690 B10R0.55 CCC(O)CSCOC(=O)C 62a_100011218378_100000076356 [1,1,0,0,0,0|2,0,0]=4 3691 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [1,1,0,0,0,0|1,0,1]=4 3692 B10R0.55 CCN(C)CCCOC(=O)C 269982a_100000225621_100000042594 [1,1,0,0,0,0|2,0,0]=4 3693 B10R0.55 CCN(C)CCCSC(=O)C 2230a_100000225621_100000038929 [1,1,0,0,0,0|2,0,0]=4 3694 B10R0.55 CCN(C)CCCSC(=O)C 269982a_100000225621_100000038929 [1,1,0,0,0,0|2,0,0]=4 3695 B10R0.55 CC[C@H](C)CNCC=C(C)C 34a_100000718196_100009816398 [1,1,0,0,0,0|2,0,0]=4 3696 B10R0.55 CC[C@H](C)COCC=C(C)C 34a_100000753907_100009816398 [1,1,0,0,0,0|2,0,0]=4 3697 B10R0.55 CC[C@H](C)COCC=C(C)C 7a_100009816381_100000761012 [1,1,0,0,0,0|2,0,0]=4 3698 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [1,1,0,0,0,0|1,0,1]=4 3699 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [1,1,0,0,0,0|1,0,1]=4 3700 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [1,1,0,0,0,0|1,0,1]=4 3701 B10R0.55 CC[C@H](C)CSCC=C(C)C 62a_100000761012_100009816398 [1,1,0,0,0,0|2,0,0]=4 3702 B10R0.55 CC[C@H](C)CSCC=C(C)C 62a_100009816398_100000761012 [1,1,0,0,0,0|2,0,0]=4 3703 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [1,1,0,0,0,0|1,0,1]=4 3704 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [1,1,0,0,0,0|1,0,1]=4 3705 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100000076356_100009816398 [1,1,0,0,0,0|2,0,0]=4 3706 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100009816398_100000076356 [1,1,0,0,0,0|2,0,0]=4 3707 B10R0.74 C#C/C(=C\COCCCC)/C 34a_100016990848_100000210210 [1,1,0,0,0,0|2,0,0]=4 3708 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [1,1,0,0,0,0|0,0,2]=4 3709 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [1,1,0,0,0,0|0,0,2]=4 3710 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [1,1,0,0,0,0|1,0,1]=4 3711 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [1,1,0,0,0,0|1,0,1]=4 3712 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [1,1,0,0,0,0|1,0,1]=4 3713 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [1,1,0,0,0,0|1,0,1]=4 3714 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [1,1,0,0,0,0|1,0,1]=4 3715 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [1,1,0,0,0,0|1,0,1]=4 3716 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [1,1,0,0,0,0|2,0,0]=4 3717 B10R0.74 CCC/C=C/C=CC(=O)CC 1458a_200016258893_100000210202 [1,1,0,0,0,0|0,0,2]=4 3718 B10R0.74 CCC/C=C/C=CC(=O)CF 1458a_200016258893_100015361967 [1,1,0,0,0,0|0,0,2]=4 3719 B10R0.74 CCC/C=C/C=CC(=O)NC 11a_106832991635_200016258893 [1,1,0,0,0,0|0,0,2]=4 3720 B10R0.74 CCC/C=C/C=CC(=O)NC 1626a_100102657272_200016258893 [1,1,0,0,0,0|0,0,2]=4 3721 B10R0.74 CCC/C=C/C=CC(=O)NC 240690a_100102657272_200016258893 [1,1,0,0,0,0|0,0,2]=4 3722 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [1,1,0,0,0,0|0,0,2]=4 3723 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [1,1,0,0,0,0|0,0,2]=4 3724 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [1,1,0,0,0,0|0,0,2]=4 3725 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [1,1,0,0,0,0|0,0,2]=4 3726 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [1,1,0,0,0,0|0,0,2]=4 3727 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [1,1,0,0,0,0|0,0,2]=4 3728 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [1,1,0,0,0,0|0,0,2]=4 3729 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [1,1,0,0,0,0|0,0,2]=4 3730 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [1,1,0,0,0,0|0,0,2]=4 3731 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [1,1,0,0,0,0|0,0,0]=2 3732 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [1,1,0,0,0,0|0,0,0]=2 3733 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [1,1,0,0,0,0|0,0,0]=2 3734 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [1,1,0,0,0,0|0,0,0]=2 3735 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [1,1,0,0,0,0|0,0,0]=2 3736 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [1,1,0,0,0,0|0,0,1]=3 3737 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [1,1,0,0,0,0|0,0,1]=3 3738 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [1,1,0,0,0,0|0,0,1]=3 3739 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [1,1,0,0,0,0|0,0,1]=3 3740 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [1,1,0,0,0,0|0,0,1]=3 3741 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [1,1,0,0,0,0|0,0,1]=3 3742 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [1,1,0,0,0,0|0,0,1]=3 3743 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [1,1,0,0,0,0|0,0,1]=3 3744 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [1,1,0,0,0,0|1,0,0]=3 3745 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [1,1,0,0,0,0|1,0,0]=3 3746 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [1,1,0,0,0,0|1,0,0]=3 3747 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [1,1,0,0,0,0|1,0,0]=3 3748 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [1,1,0,0,0,0|1,0,0]=3 3749 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [1,1,0,0,0,0|1,0,0]=3 3750 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [1,1,0,0,0,0|1,0,0]=3 3751 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [1,1,0,0,0,0|1,0,0]=3 3752 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [1,1,0,0,0,0|1,0,0]=3 3753 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [1,1,0,0,0,0|1,0,0]=3 3754 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [1,1,0,0,0,0|1,0,0]=3 3755 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [1,1,0,0,0,0|1,0,0]=3 3756 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [1,1,0,0,0,0|1,0,1]=4 3757 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [1,1,0,0,0,0|1,0,1]=4 3758 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [1,1,0,0,0,0|1,0,1]=4 3759 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [1,1,0,0,0,0|2,0,0]=4 3760 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [1,1,0,0,0,0|2,0,0]=4 3761 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [1,1,0,0,0,0|2,0,0]=4 3762 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [1,1,0,0,0,0|2,0,0]=4 3763 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [1,1,0,0,0,0|2,0,0]=4 3764 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [1,1,0,0,0,0|1,0,1]=4 3765 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [1,1,0,0,0,0|1,0,1]=4 3766 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [1,1,0,0,0,0|1,0,1]=4 3767 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [1,1,0,0,0,0|1,0,1]=4 3768 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [1,1,0,0,0,0|1,0,1]=4 3769 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [1,1,0,0,0,0|1,0,1]=4 3770 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [1,1,0,0,0,0|1,0,1]=4 3771 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [1,1,0,0,0,0|1,0,1]=4 3772 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [1,1,0,0,0,0|1,0,1]=4 3773 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [1,1,0,0,0,0|1,0,1]=4 3774 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [1,1,0,0,0,0|1,0,1]=4 3775 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [1,1,0,0,0,0|1,0,1]=4 3776 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [1,1,0,0,0,0|1,0,1]=4 3777 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [1,1,0,0,0,0|1,0,1]=4 3778 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [1,1,0,0,0,0|1,0,1]=4 3779 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [1,1,0,0,0,0|1,0,1]=4 3780 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [1,1,0,0,0,0|1,0,1]=4 3781 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [1,1,0,0,0,0|1,0,1]=4 3782 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [1,1,0,0,0,0|1,0,1]=4 3783 B10R0.74 CCCCNN=CC(=O)OC 4a_100025702795_200011823558 [1,1,0,0,0,0|2,0,0]=4 3784 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [1,1,0,0,0,0|1,0,1]=4 3785 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [1,1,0,0,0,0|1,0,1]=4 3786 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [1,1,0,0,0,0|1,0,1]=4 3787 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [1,1,0,0,0,0|1,0,1]=4 3788 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [1,1,0,0,0,0|1,0,1]=4 3789 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [1,1,0,0,0,0|1,0,1]=4 3790 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [1,1,0,0,0,0|1,0,1]=4 3791 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [1,1,0,0,0,0|1,0,1]=4 3792 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [1,1,0,0,0,0|1,0,1]=4 3793 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [1,1,0,0,0,0|1,0,1]=4 3794 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [1,1,0,0,0,0|1,0,1]=4 3795 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [1,1,0,0,0,0|2,0,0]=4 3796 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [1,1,0,0,0,0|1,0,1]=4 3797 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [1,1,0,0,0,0|1,0,1]=4 3798 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [1,1,0,0,0,0|2,0,0]=4 3799 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [1,1,0,0,0,0|2,0,0]=4 3800 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [1,1,0,0,0,0|1,0,0]=3 3801 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [1,1,0,0,0,0|1,0,1]=4 3802 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [1,1,0,0,0,0|1,0,1]=4 3803 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [1,1,0,0,0,0|2,0,0]=4 3804 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [1,1,0,0,0,0|2,0,0]=4 3805 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [1,1,0,0,0,0|2,0,0]=4 3806 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [1,1,0,0,0,0|2,0,0]=4 3807 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [1,1,0,0,0,0|2,0,0]=4 3808 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [1,1,0,0,0,0|2,0,0]=4 3809 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [1,1,0,0,0,0|2,0,0]=4 3810 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [1,1,0,0,0,0|2,0,0]=4 3811 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [1,1,0,0,0,0|2,0,0]=4 3812 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [1,1,0,0,0,0|2,0,0]=4 3813 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [1,1,0,0,0,0|2,0,0]=4 3814 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [1,1,0,0,0,0|2,0,0]=4 3815 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [1,1,0,0,0,0|2,0,0]=4 3816 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [1,1,0,0,0,0|2,0,0]=4 3817 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [1,1,0,0,0,0|2,0,0]=4 3818 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [1,1,0,0,0,0|2,0,0]=4 3819 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [1,1,0,0,0,0|2,0,0]=4 3820 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000210303_100000742655 [1,1,0,0,0,0|1,0,0]=3 3821 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000742655_100000210303 [1,1,0,0,0,0|1,0,0]=3 3822 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [1,1,0,0,0,0|1,0,1]=4 3823 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [1,1,0,0,0,0|1,0,1]=4 3824 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [1,1,0,0,0,0|1,0,1]=4 3825 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [1,1,0,0,0,0|1,0,1]=4 3826 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [1,1,0,0,0,0|2,0,0]=4 3827 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [1,1,0,0,0,0|2,0,0]=4 3828 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [1,1,0,0,0,0|2,0,0]=4 3829 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [1,1,0,0,0,0|2,0,0]=4 3830 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [1,1,0,0,0,0|2,0,0]=4 3831 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [1,1,0,0,0,0|2,0,0]=4 3832 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [1,1,0,0,0,0|2,0,0]=4 3833 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [1,1,0,0,0,0|2,0,0]=4 3834 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [1,1,0,0,0,0|2,0,0]=4 3835 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [1,1,0,0,0,0|2,0,0]=4 3836 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [1,1,0,0,0,0|2,0,0]=4 3837 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [1,1,0,0,0,0|2,0,0]=4 3838 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [1,1,0,0,0,0|2,0,0]=4 3839 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [1,1,0,0,0,0|1,0,1]=4 3840 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [1,1,0,0,0,0|1,0,1]=4 3841 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [1,1,0,0,0,0|1,0,1]=4 3842 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [1,1,0,0,0,0|1,0,1]=4 3843 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [1,1,0,0,0,0|2,0,0]=4 3844 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [1,1,0,0,0,0|2,0,0]=4 3845 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [1,1,0,0,0,0|2,0,0]=4 3846 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [1,1,0,0,0,0|2,0,0]=4 3847 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [1,1,0,0,0,0|2,0,0]=4 3848 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [1,1,0,0,0,0|2,0,0]=4 3849 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [1,1,0,0,0,0|2,0,0]=4 3850 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [1,1,0,0,0,0|2,0,0]=4 3851 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [1,1,0,0,0,0|2,0,0]=4 3852 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [1,1,0,0,0,0|2,0,0]=4 3853 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [1,1,0,0,0,0|2,0,0]=4 3854 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [1,1,0,0,0,0|2,0,0]=4 3855 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [1,1,0,0,0,0|1,0,1]=4 3856 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [1,1,0,0,0,0|1,0,1]=4 3857 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [1,1,0,0,0,0|1,0,1]=4 3858 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [1,1,0,0,0,0|1,0,1]=4 3859 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [1,1,0,0,0,0|1,0,1]=4 3860 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [1,1,0,0,0,0|1,0,1]=4 3861 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [1,1,0,0,0,0|1,0,1]=4 3862 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [1,1,0,0,0,0|2,0,0]=4 3863 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [1,1,0,0,0,0|2,0,0]=4 3864 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [1,1,0,0,0,0|2,0,0]=4 3865 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [1,1,0,0,0,0|2,0,0]=4 3866 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [1,1,0,0,0,0|2,0,0]=4 3867 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [1,1,0,0,0,0|1,0,1]=4 3868 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [1,1,0,0,0,0|1,0,1]=4 3869 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [1,1,0,0,0,0|1,0,1]=4 3870 B10R0.74 COC(=O)/C=C/CNCCF 34a_100000724931_100000742655 [1,1,0,0,0,0|2,0,0]=4 3871 B10R0.74 COC(=O)/C=C/CNCCO 2230a_100016997473_100000742655 [1,1,0,0,0,0|2,0,0]=4 3872 B10R0.74 COC(=O)/C=C/CNCCO 34a_100016990907_100000742655 [1,1,0,0,0,0|2,0,0]=4 3873 B10R0.74 COC(=O)/C=C/COCCBr 34a_100000211926_100000742655 [1,1,0,0,0,0|2,0,0]=4 3874 B10R0.74 COC(=O)/C=C/COCCN 34a_100000210304_100000742655 [1,1,0,0,0,0|2,0,0]=4 3875 B10R0.74 COC(=O)/C=C/CSCCF 62a_100000742655_100011217306 [1,1,0,0,0,0|2,0,0]=4 3876 B10R0.74 COC(=O)/C=C/CSCCF 62a_100011217306_100000742655 [1,1,0,0,0,0|2,0,0]=4 3877 B10R0.74 COC(=O)/C=C/CSCCO 62a_100000211926_100000742655 [1,1,0,0,0,0|2,0,0]=4 3878 B10R0.74 COC(=O)/C=C/CSCCO 62a_100000742655_100000211926 [1,1,0,0,0,0|2,0,0]=4 3879 B10R0.74 COC(=O)/C=C/CSCSC 62a_100000742655_100011218213 [1,1,0,0,0,0|2,0,0]=4 3880 B10R0.74 COC(=O)/C=C/CSCSC 62a_100011218213_100000742655 [1,1,0,0,0,0|2,0,0]=4 3881 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [1,1,0,0,0,0|1,0,1]=4 3882 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [1,1,0,0,0,0|1,0,1]=4 3883 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [1,1,0,0,0,0|1,0,1]=4 3884 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [1,1,0,0,0,0|1,0,1]=4 3885 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [1,1,0,0,0,0|1,0,1]=4 3886 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [1,1,0,0,0,0|1,0,1]=4 3887 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [1,1,0,0,0,0|1,0,1]=4 3888 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [1,1,0,0,0,0|1,0,1]=4 3889 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [1,1,0,0,0,0|1,0,1]=4 3890 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [1,1,0,0,0,0|1,0,1]=4 3891 B10R0.74 COCSC/C=C/C(=O)OC 62a_100000742655_100000766300 [1,1,0,0,0,0|2,0,0]=4 3892 B10R0.74 COCSC/C=C/C(=O)OC 62a_100000766300_100000742655 [1,1,0,0,0,0|2,0,0]=4 3893 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [1,1,0,0,0,0|1,0,1]=4 3894 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [1,1,0,0,0,0|1,0,1]=4 3895 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [1,1,0,0,0,0|1,0,1]=4 3896 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [1,1,0,0,0,0|2,0,0]=4 3897 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [1,1,0,0,0,0|1,0,0]=3 3898 B10R0.75 C=C(C)C(=O)CCCCCF 1458a_100000185857_100000729378 [1,1,0,0,0,0|2,0,0]=4 3899 B10R0.75 C=C(C)C(=O)CCCCCO 1458a_100000185857_100000746330 [1,1,0,0,0,0|2,0,0]=4 3900 B10R0.75 C=C(C)C(=O)CCCCOC 1458a_100000185857_100000755781 [1,1,0,0,0,0|2,0,0]=4 3901 B10R0.75 C=C(C)C(=O)CCCOCC 1458a_100000185857_100012232248 [1,1,0,0,0,0|2,0,0]=4 3902 B10R0.75 C=C(C)C(=O)CCOCCC 1458a_100000185857_100011215938 [1,1,0,0,0,0|2,0,0]=4 3903 B10R0.75 C=C(C)C(=O)COCCCC 1458a_100000185857_100011995733 [1,1,0,0,0,0|2,0,0]=4 3904 B10R0.75 C=C(C)C(=O)NCCCCC 11a_100000209983_100000185857 [1,1,0,0,0,0|2,0,0]=4 3905 B10R0.75 C=C(C)C(=O)NCCCCC 1626a_100000209983_100000185857 [1,1,0,0,0,0|2,0,0]=4 3906 B10R0.75 CC(=O)C(=O)CNCCCF 34a_100015189416_100011261029 [1,1,0,0,0,0|2,0,0]=4 3907 B10R0.75 CC(=O)C(=O)COCCCBr 34a_100011217188_100011261029 [1,1,0,0,0,0|2,0,0]=4 3908 B10R0.75 CC(=O)C(=O)COCCCCl 34a_100000230001_100011261029 [1,1,0,0,0,0|2,0,0]=4 3909 B10R0.75 CC(=O)C(=O)COCCCF 34a_100000759539_100011261029 [1,1,0,0,0,0|2,0,0]=4 3910 B10R0.75 CC(=O)C(=O)COCCCN 34a_100000182051_100011261029 [1,1,0,0,0,0|2,0,0]=4 3911 B10R0.75 CC(=O)C(=O)CSCCCF 62a_100011261029_100011934791 [1,1,0,0,0,0|2,0,0]=4 3912 B10R0.75 CC(=O)C(=O)CSCCCF 62a_100011934791_100011261029 [1,1,0,0,0,0|2,0,0]=4 3913 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011215043_100011261029 [1,1,0,0,0,0|2,0,0]=4 3914 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011261029_100011215043 [1,1,0,0,0,0|2,0,0]=4 3915 B10R0.75 CC(=O)N(C)CCCCCO 240690a_100000722520_100015343762 [1,1,0,0,0,0|2,0,0]=4 3916 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [1,1,0,0,0,0|1,0,1]=4 3917 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [1,1,0,0,0,0|1,0,1]=4 3918 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [1,1,0,0,0,0|1,0,1]=4 3919 B10R0.75 CCCCCCC(=O)N(C)C 11a_100102631434_100102632555 [1,1,0,0,0,0|2,0,0]=4 3920 B10R0.75 CCCCCCC(=O)N(C)C 1626a_100102631434_100102632555 [1,1,0,0,0,0|2,0,0]=4 3921 B10R0.75 CCCCCCC(=O)N(C)C 240690a_100102631434_100102632555 [1,1,0,0,0,0|2,0,0]=4 3922 B10R0.75 CCCCCCC(=O)N(C)C 527a_100102631434_100102632555 [1,1,0,0,0,0|2,0,0]=4 3923 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [1,1,0,0,0,0|0,0,2]=4 3924 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [1,1,0,0,0,0|0,0,2]=4 3925 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [1,1,0,0,0,0|0,0,1]=3 3926 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [1,1,0,0,0,0|0,0,1]=3 3927 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [1,1,0,0,0,0|0,0,1]=3 3928 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [1,1,0,0,0,0|1,0,0]=3 3929 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [1,1,0,0,0,0|1,0,0]=3 3930 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [1,1,0,0,0,0|1,0,0]=3 3931 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [1,1,0,0,0,0|1,0,0]=3 3932 B10R0.75 CCCCCNC(=O)C(=O)N 240690a_100000209983_100011215815 [1,1,0,0,0,0|2,0,0]=4 3933 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [1,1,0,0,0,0|1,0,1]=4 3934 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [1,1,0,0,0,0|1,0,1]=4 3935 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [1,1,0,0,0,0|1,0,1]=4 3936 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [1,1,0,0,0,0|1,0,1]=4 3937 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [1,1,0,0,0,0|1,0,1]=4 3938 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [1,1,0,0,0,0|1,0,0]=3 3939 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [1,1,0,0,0,0|1,0,1]=4 3940 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [1,1,0,0,0,0|1,0,1]=4 3941 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [1,1,0,0,0,0|1,0,0]=3 3942 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [1,1,0,0,0,0|1,0,0]=3 3943 B10R0.75 CCOCSCC(=O)C(=O)C 62a_100000739092_100011261029 [1,1,0,0,0,0|2,0,0]=4 3944 B10R0.75 CCOCSCC(=O)C(=O)C 62a_100011261029_100000739092 [1,1,0,0,0,0|2,0,0]=4 3945 B10R0.75 COCCOCC(=O)C(=O)C 34a_100000210237_100011261029 [1,1,0,0,0,0|2,0,0]=4 3946 B10R0.75 COCCSCC(=O)C(=O)C 62a_100000233755_100011261029 [1,1,0,0,0,0|2,0,0]=4 3947 B10R0.75 COCCSCC(=O)C(=O)C 62a_100011261029_100000233755 [1,1,0,0,0,0|2,0,0]=4 3948 B10R0.75 CSCCOCC(=O)C(=O)C 34a_100000230434_100011261029 [1,1,0,0,0,0|2,0,0]=4 3949 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100000212216_100011261029 [1,1,0,0,0,0|2,0,0]=4 3950 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100011261029_100000751147 [1,1,0,0,0,0|2,0,0]=4 3951 B10R0.78 CC(=O)NC[C@H](C)CCCO 240690a_100160569302_100015343762 [1,1,0,0,0,0|2,0,0]=4 3952 B10R0.78 CC(=O)NC[C@H](C)CCCO 527a_100160569302_100103153847 [1,1,0,0,0,0|2,0,0]=4 3953 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100000210183_100000761012 [1,1,0,0,0,0|1,0,1]=4 3954 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100011220947_100000210211 [1,1,0,0,0,0|1,0,1]=4 3955 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [1,1,0,0,0,0|1,0,1]=4 3956 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [1,1,0,0,0,0|1,0,1]=4 3957 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [1,1,0,0,0,0|1,0,1]=4 3958 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [1,1,0,0,0,0|0,0,1]=3 3959 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [1,1,0,0,0,0|0,0,1]=3 3960 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [1,1,0,0,0,0|1,0,1]=4 3961 B10R0.78 CCCCN(C)CC=C(C)C 2230a_100000207549_100000761012 [1,1,0,0,0,0|2,0,0]=4 3962 B10R0.78 CCCCN(C)CC=C(C)C 269982a_100000207549_100000761012 [1,1,0,0,0,0|2,0,0]=4 3963 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [1,1,0,0,0,0|1,0,1]=4 3964 B10R0.78 CCCCN(C)COC(=O)C 269982a_100000207549_100000076356 [1,1,0,0,0,0|2,0,0]=4 3965 B10R0.78 CCCNC(C)COC(=O)C 270004a_100020643023_100000000629 [1,1,0,0,0,0|2,0,0]=4 3966 B10R0.78 CCCOC(C)CNC(=O)C 11a_100015185124_100015343762 [1,1,0,0,0,0|2,0,0]=4 3967 B10R0.78 CCCOC(C)CNC(=O)C 1626a_100015185124_100015343762 [1,1,0,0,0,0|2,0,0]=4 3968 B10R0.78 CCCOC(C)CNC(=O)C 240690a_100015185124_100015343762 [1,1,0,0,0,0|2,0,0]=4 3969 B10R0.78 CCCOC(C)CNC(=O)C 527a_100015185124_100103153847 [1,1,0,0,0,0|2,0,0]=4 3970 B10R0.78 CCNCC(C)CSC(=O)C 2230a_100015525214_200000116872 [1,1,0,0,0,0|2,0,0]=4 3971 B10R0.78 CCOCC(C)CSC(=O)C 34a_100121572206_200000116872 [1,1,0,0,0,0|2,0,0]=4 3972 B10R0.78 CCOCC(O)CNC(=O)C 240690a_102515437182_100015343762 [1,1,0,0,0,0|2,0,0]=4 3973 B10R0.78 CCOCC(O)CNC(=O)C 527a_102515437182_100103153847 [1,1,0,0,0,0|2,0,0]=4 3974 B10R0.78 CCOCC(O)COC(=O)C 34a_100121572206_200000139349 [1,1,0,0,0,0|2,0,0]=4 3975 B10R0.78 CCSCC(C)CSC(=O)C 62a_100000210202_200000116872 [1,1,0,0,0,0|2,0,0]=4 3976 B10R0.78 CCSCC(C)CSC(=O)C 62a_200000116872_100000210202 [1,1,0,0,0,0|2,0,0]=4 3977 B10R0.78 CCSCC(O)COC(=O)C 62a_100000210202_200000139349 [1,1,0,0,0,0|2,0,0]=4 3978 B10R0.78 CCSCC(O)COC(=O)C 62a_200000139349_100000210202 [1,1,0,0,0,0|2,0,0]=4 3979 B10R0.97 CC(=CCCNCC(C)C)C 2230a_100000210953_100011217483 [1,1,0,0,0,0|2,0,0]=4 3980 B10R0.97 CC(=CCCNCC(C)C)C 34a_100000210953_100011217483 [1,1,0,0,0,0|2,0,0]=4 3981 B10R0.97 CC(=CCCNCC(C)O)C 2230a_100000210904_100011217483 [1,1,0,0,0,0|2,0,0]=4 3982 B10R0.97 CC(=CCCNCC(C)O)C 34a_100000210904_100011217483 [1,1,0,0,0,0|2,0,0]=4 3983 B10R0.97 CC(=CCCOCC(C)Br)C 34a_100012180447_100011217483 [1,1,0,0,0,0|2,0,0]=4 3984 B10R0.97 CC(=CCCOCC(C)C)C 34a_100000210257_100011217483 [1,1,0,0,0,0|2,0,0]=4 3985 B10R0.97 CC(=CCCOCC(C)F)C 34a_100015925927_100011217483 [1,1,0,0,0,0|2,0,0]=4 3986 B10R0.97 CC(=CCCOC[C@@H](C)Cl)C 34a_100016084084_100011217483 [1,1,0,0,0,0|2,0,0]=4 3987 B10R0.97 CC(=CCCOC[C@@H](C)N)C 34a_100000737577_100011217483 [1,1,0,0,0,0|2,0,0]=4 3988 B10R0.97 CC(=CCCSCC(C)C)C 62a_100000210624_100011217483 [1,1,0,0,0,0|2,0,0]=4 3989 B10R0.97 CC(=CCCSCC(C)C)C 62a_100011217483_100000210760 [1,1,0,0,0,0|2,0,0]=4 3990 B10R0.97 CC(=CCCSCC(C)O)C 62a_100011217483_100011218427 [1,1,0,0,0,0|2,0,0]=4 3991 B10R0.97 CC(=CCCSCC(C)O)C 62a_100011218427_100011217483 [1,1,0,0,0,0|2,0,0]=4 3992 B10R0.97 CC(=CCCSC[C@@H](C)O)C 62a_100009817552_100011217483 [1,1,0,0,0,0|2,0,0]=4 3993 B10R0.97 CC(=CCCSC[C@@H](C)O)C 62a_100011217483_100009817552 [1,1,0,0,0,0|2,0,0]=4 3994 B10R0.97 CC(=CCNCCC(C)C)C 34a_100000718196_100000210312 [1,1,0,0,0,0|2,0,0]=4 3995 B10R0.97 CC(=CCNCCC(C)O)C 2230a_200000755665_100000761012 [1,1,0,0,0,0|2,0,0]=4 3996 B10R0.97 CC(=CCNCCC(C)O)C 34a_100000718196_100012276601 [1,1,0,0,0,0|2,0,0]=4 3997 B10R0.97 CC(=CCOCCC(C)Br)C 34a_100009893172_100000761012 [1,1,0,0,0,0|2,0,0]=4 3998 B10R0.97 CC(=CCOCCC(C)C)C 34a_100000210254_100000761012 [1,1,0,0,0,0|2,0,0]=4 3999 B10R0.97 CC(=CCOCCC(C)C)C 34a_100000753907_100000210312 [1,1,0,0,0,0|2,0,0]=4 4000 B10R0.97 CC(=CCOCCC(C)C)C 7a_100000210254_100000761012 [1,1,0,0,0,0|2,0,0]=4 4001 B10R0.97 CC(=CCOCCC(C)O)C 34a_100000753907_100012276601 [1,1,0,0,0,0|2,0,0]=4 4002 B10R0.97 CC(=CCOCC[C@@H](C)N)C 34a_100000706166_100000761012 [1,1,0,0,0,0|2,0,0]=4 4003 B10R0.97 CC(=CCSCCC(C)C)C 62a_100000210312_100000761012 [1,1,0,0,0,0|2,0,0]=4 4004 B10R0.97 CC(=CCSCCC(C)C)C 62a_100000761012_100000210312 [1,1,0,0,0,0|2,0,0]=4 4005 B10R0.97 CC(=CCSCCC(C)O)C 62a_100000761012_100012276601 [1,1,0,0,0,0|2,0,0]=4 4006 B10R0.97 CC(=CCSCCC(C)O)C 62a_100012276601_100000761012 [1,1,0,0,0,0|2,0,0]=4 4007 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [1,1,0,0,0,0|0,0,1]=3 4008 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [1,1,0,0,0,0|0,0,1]=3 4009 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [1,1,0,0,0,0|1,0,1]=4 4010 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [1,1,0,0,0,0|1,0,1]=4 4011 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [1,1,0,0,0,0|1,0,1]=4 4012 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [1,1,0,0,0,0|1,0,1]=4 4013 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [1,1,0,0,0,0|1,0,1]=4 4014 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [1,1,0,0,0,0|1,0,1]=4 4015 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [1,1,0,0,0,0|1,0,1]=4 4016 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [1,1,0,0,0,0|1,0,1]=4 4017 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [1,1,0,0,0,0|1,0,1]=4 4018 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [1,1,0,0,0,0|1,0,1]=4 4019 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [1,1,0,0,0,0|1,0,1]=4 4020 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [1,1,0,0,0,0|1,0,1]=4 4021 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [1,1,0,0,0,0|1,0,1]=4 4022 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [1,1,0,0,0,0|1,0,1]=4 4023 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [1,1,0,0,0,0|1,0,1]=4 4024 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [1,1,0,0,0,0|1,0,1]=4 4025 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [1,1,0,0,0,0|1,0,1]=4 4026 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [1,1,0,0,0,0|1,0,1]=4 4027 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [1,1,0,0,0,0|1,0,1]=4 4028 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [1,1,0,0,0,0|1,0,1]=4 4029 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [1,1,0,0,0,0|1,0,1]=4 4030 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [1,1,0,0,0,0|1,0,1]=4 4031 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [1,1,0,0,0,0|1,0,1]=4 4032 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [1,1,0,0,0,0|1,0,1]=4 4033 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [1,1,0,0,0,0|1,0,1]=4 4034 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [1,1,0,0,0,0|1,0,1]=4 4035 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [1,1,0,0,0,0|1,0,1]=4 4036 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [1,1,0,0,0,0|1,0,1]=4 4037 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [1,1,0,0,0,0|1,0,1]=4 4038 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [1,1,0,0,0,0|1,0,1]=4 4039 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [1,1,0,0,0,0|1,0,1]=4 4040 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [1,1,0,0,0,0|1,0,1]=4 4041 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [1,1,0,0,0,0|1,0,1]=4 4042 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [1,1,0,0,0,0|1,0,1]=4 4043 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [1,1,0,0,0,0|1,0,1]=4 4044 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [1,1,0,0,0,0|1,0,1]=4 4045 B10R0.97 CC(=O)NCCCCN(C)C 240690a_100025707445_100015343762 [1,1,0,0,0,0|2,0,0]=4 4046 B10R0.97 CC(=O)NCCCNC(C)C 34a_100000736810_100000210206 [1,1,0,0,0,0|2,0,0]=4 4047 B10R0.97 CC(=O)NCCCOC(C)C 11a_100000737246_100015343762 [1,1,0,0,0,0|2,0,0]=4 4048 B10R0.97 CC(=O)NCCCOC(C)C 1626a_100000737246_100015343762 [1,1,0,0,0,0|2,0,0]=4 4049 B10R0.97 CC(=O)NCCCOC(C)C 240690a_100000737246_100015343762 [1,1,0,0,0,0|2,0,0]=4 4050 B10R0.97 CC(=O)NCCCOC(C)C 34a_100000752032_100000210206 [1,1,0,0,0,0|2,0,0]=4 4051 B10R0.97 CC(=O)NCCCOC(C)C 527a_100000737246_100103153847 [1,1,0,0,0,0|2,0,0]=4 4052 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000209853_100000210760 [1,1,0,0,0,0|2,0,0]=4 4053 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000210953_100000189650 [1,1,0,0,0,0|2,0,0]=4 4054 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000209853_100011218427 [1,1,0,0,0,0|2,0,0]=4 4055 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000210904_100000189650 [1,1,0,0,0,0|2,0,0]=4 4056 B10R0.97 CC(=O)NCCNC[C@@H](C)O 2230a_100000209853_100009817552 [1,1,0,0,0,0|2,0,0]=4 4057 B10R0.97 CC(=O)NCCOCC(C)C 34a_100000158858_100000210624 [1,1,0,0,0,0|2,0,0]=4 4058 B10R0.97 CC(=O)NCCOCC(C)O 34a_100000158858_100011218427 [1,1,0,0,0,0|2,0,0]=4 4059 B10R0.97 CC(=O)NCCOC[C@@H](C)O 34a_100000158858_100009817552 [1,1,0,0,0,0|2,0,0]=4 4060 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000189650_100000210760 [1,1,0,0,0,0|2,0,0]=4 4061 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000210624_100000189650 [1,1,0,0,0,0|2,0,0]=4 4062 B10R0.97 CC(=O)NCCSCC(C)O 62a_100000189650_100011218427 [1,1,0,0,0,0|2,0,0]=4 4063 B10R0.97 CC(=O)NCCSCC(C)O 62a_100011218427_100000189650 [1,1,0,0,0,0|2,0,0]=4 4064 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100000189650_100009817552 [1,1,0,0,0,0|2,0,0]=4 4065 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100009817552_100000189650 [1,1,0,0,0,0|2,0,0]=4 4066 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [1,1,0,0,0,0|2,0,0]=4 4067 B10R0.97 CC(=O)OCCCNC(C)C 34a_100138425928_100000042594 [1,1,0,0,0,0|2,0,0]=4 4068 B10R0.97 CC(=O)OCCCOC(C)C 34a_100000212225_100000042594 [1,1,0,0,0,0|2,0,0]=4 4069 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000042594_100000210206 [1,1,0,0,0,0|2,0,0]=4 4070 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000210206_100000042594 [1,1,0,0,0,0|2,0,0]=4 4071 B10R0.97 CC(=O)OCCNCC(C)C 34a_100000210953_100009814007 [1,1,0,0,0,0|2,0,0]=4 4072 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [1,1,0,0,0,0|2,0,0]=4 4073 B10R0.97 CC(=O)OCCOCC(C)Br 34a_100012180447_100009814007 [1,1,0,0,0,0|2,0,0]=4 4074 B10R0.97 CC(=O)OCCOCC(C)C 34a_100000210257_100009814007 [1,1,0,0,0,0|2,0,0]=4 4075 B10R0.97 CC(=O)OCCOCC(C)F 34a_100015925927_100009814007 [1,1,0,0,0,0|2,0,0]=4 4076 B10R0.97 CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009814007 [1,1,0,0,0,0|2,0,0]=4 4077 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [1,1,0,0,0,0|2,0,0]=4 4078 B10R0.97 CC(=O)OCCSCC(C)C 62a_100000210624_100009814007 [1,1,0,0,0,0|2,0,0]=4 4079 B10R0.97 CC(=O)OCCSCC(C)C 62a_100009814007_100000210760 [1,1,0,0,0,0|2,0,0]=4 4080 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [1,1,0,0,0,0|2,0,0]=4 4081 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [1,1,0,0,0,0|2,0,0]=4 4082 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [1,1,0,0,0,0|2,0,0]=4 4083 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [1,1,0,0,0,0|2,0,0]=4 4084 B10R0.97 CC(=O)OCOCCC(C)Br 34a_100009893172_100009813279 [1,1,0,0,0,0|2,0,0]=4 4085 B10R0.97 CC(=O)OCOCCC(C)C 34a_100000210254_100009813279 [1,1,0,0,0,0|2,0,0]=4 4086 B10R0.97 CC(=O)OCOCC[C@@H](C)N 34a_100000706166_100009813279 [1,1,0,0,0,0|2,0,0]=4 4087 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000076356_100000210312 [1,1,0,0,0,0|2,0,0]=4 4088 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000210312_100000076356 [1,1,0,0,0,0|2,0,0]=4 4089 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [1,1,0,0,0,0|2,0,0]=4 4090 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [1,1,0,0,0,0|2,0,0]=4 4091 B10R0.97 CC(=O)SCCCCN(C)C 2230a_100102631434_200010402107 [1,1,0,0,0,0|2,0,0]=4 4092 B10R0.97 CC(=O)SCCCCN(C)C 269982a_100102631434_200010402107 [1,1,0,0,0,0|2,0,0]=4 4093 B10R0.97 CC(=O)SCCCNC(C)C 2230a_100138425928_100000038929 [1,1,0,0,0,0|2,0,0]=4 4094 B10R0.97 CC(=O)SCCCNC(C)C 34a_100138425928_100000038929 [1,1,0,0,0,0|2,0,0]=4 4095 B10R0.97 CC(=O)SCCCOC(C)C 34a_100000212225_100000038929 [1,1,0,0,0,0|2,0,0]=4 4096 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000038929_100000210206 [1,1,0,0,0,0|2,0,0]=4 4097 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000210206_100000038929 [1,1,0,0,0,0|2,0,0]=4 4098 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [1,1,0,0,0,0|0,0,1]=3 4099 B10R0.1 C#CCCCCC(=O)C=CC 1458a_100000210699_100010269958 [1,1,0,0,0,0|0,0,2]=4 4100 B10R0.1 C/C=C/C(C)OCCCCC 34a_200102604097_100000718602 [1,1,0,0,0,0|1,0,1]=4 4101 B10R0.1 C/C=C/CCOC(C)CCC 34a_100016278192_100000766640 [1,1,0,0,0,0|1,0,1]=4 4102 B10R0.1 C/C=C/COCC(C)CCC 34a_100000688023_100102629194 [1,1,0,0,0,0|1,0,1]=4 4103 B10R0.1 C/C=C/COCC(C)CCC 34a_100016270725_100011216630 [1,1,0,0,0,0|1,0,1]=4 4104 B10R0.1 C/C=C/COCC(C)CCC 7a_100000688023_100102629194 [1,1,0,0,0,0|1,0,1]=4 4105 B10R0.1 C/C=C/COC[C@@H](N)CCC 34a_100000732646_100102629194 [1,1,0,0,0,0|1,0,1]=4 4106 B10R0.1 C/C=C/CSCC(C)CCC 62a_100011216630_100102629194 [1,1,0,0,0,0|1,0,1]=4 4107 B10R0.1 C/C=C/CSCC(C)CCC 62a_100102629194_100011216630 [1,1,0,0,0,0|1,0,1]=4 4108 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [1,1,0,0,0,0|0,0,2]=4 4109 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [1,1,0,0,0,0|0,0,2]=4 4110 B10R0.1 C=CCCCCC(=O)C=CC 1458a_100000210699_100011215482 [1,1,0,0,0,0|0,0,2]=4 4111 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [1,1,0,0,0,0|0,0,2]=4 4112 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [1,1,0,0,0,0|0,0,2]=4 4113 B10R0.1 CC/C=C\CCN(C)CCC 2230a_100000747261_100015370543 [1,1,0,0,0,0|1,0,1]=4 4114 B10R0.1 CC/C=C\CCN(C)CCC 269982a_100000747261_100015370543 [1,1,0,0,0,0|1,0,1]=4 4115 B10R0.1 CC/C=C\CNC(C)CCC 2230a_100000741246_100103147603 [1,1,0,0,0,0|1,0,1]=4 4116 B10R0.1 CC/C=C\COC(C)CCC 34a_100000764384_100103147603 [1,1,0,0,0,0|1,0,1]=4 4117 B10R0.1 CC/C=C\COC(C)CCC 34a_100016268518_100000766640 [1,1,0,0,0,0|1,0,1]=4 4118 B10R0.1 CC/C=C\COC(C)CCC 7a_100000764384_100103147603 [1,1,0,0,0,0|1,0,1]=4 4119 B10R0.1 CC/C=C\CSC(C)CCC 62a_100000766640_100103147603 [1,1,0,0,0,0|1,0,1]=4 4120 B10R0.1 CC/C=C\CSC(C)CCC 62a_100103147603_100000766640 [1,1,0,0,0,0|1,0,1]=4 4121 B10R0.1 CC=CC(=NNCCCC)C 4a_100025702795_100011218416 [1,1,0,0,0,0|2,0,0]=4 4122 B10R0.1 CC=CC(=O)CC/C=C\CC 1458a_100000210699_100015370543 [1,1,0,0,0,0|0,0,2]=4 4123 B10R0.1 CC=CC(=O)CCCCC#N 1458a_100000210699_100000211819 [1,1,0,0,0,0|1,0,1]=4 4124 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [1,1,0,0,0,0|0,0,0]=2 4125 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [1,1,0,0,0,0|1,0,0]=3 4126 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [1,1,0,0,0,0|1,0,0]=3 4127 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [1,1,0,0,0,0|1,0,0]=3 4128 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [1,1,0,0,0,0|1,0,0]=3 4129 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [1,1,0,0,0,0|1,0,0]=3 4130 B10R0.1 CC=CC(=O)CCOCCO 1458a_100000210699_100011215305 [1,1,0,0,0,0|2,0,0]=4 4131 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [1,1,0,0,0,0|1,0,0]=3 4132 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [1,1,0,0,0,0|1,0,0]=3 4133 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [1,1,0,0,0,0|1,0,0]=3 4134 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [1,1,0,0,0,0|1,0,0]=3 4135 B10R0.1 CC=CC(=O)NCCCCO 240690a_100000750430_100000210699 [1,1,0,0,0,0|2,0,0]=4 4136 B10R0.1 CC=CC(=O)NCCCOC 1626a_100150723488_100000210699 [1,1,0,0,0,0|2,0,0]=4 4137 B10R0.1 CC=CC(=O)NCCCOC 240690a_100150723488_100000210699 [1,1,0,0,0,0|2,0,0]=4 4138 B10R0.1 CC=CC(=O)NCCCSC 11a_100000749238_100000210699 [1,1,0,0,0,0|2,0,0]=4 4139 B10R0.1 CC=CC(=O)NCCCSC 1626a_100000749238_100000210699 [1,1,0,0,0,0|2,0,0]=4 4140 B10R0.1 CC=CC(=O)NCCCSC 240690a_100000749238_100000210699 [1,1,0,0,0,0|2,0,0]=4 4141 B10R0.1 CC=CC(=O)NCCOCC 11a_100011200944_100000210699 [1,1,0,0,0,0|2,0,0]=4 4142 B10R0.1 CC=CC(=O)NCCOCC 1626a_102516460346_100000210699 [1,1,0,0,0,0|2,0,0]=4 4143 B10R0.1 CC=CC(=O)NCCOCC 240690a_100011200944_100000210699 [1,1,0,0,0,0|2,0,0]=4 4144 B10R0.1 CC=CC(=O)NCCSCC 11a_100000106463_100000210699 [1,1,0,0,0,0|2,0,0]=4 4145 B10R0.1 CC=CC(=O)NCCSCC 1626a_100000106463_100000210699 [1,1,0,0,0,0|2,0,0]=4 4146 B10R0.1 CC=CC(=O)NCCSCC 240690a_100000106463_100000210699 [1,1,0,0,0,0|2,0,0]=4 4147 B10R0.1 CC=CC(=O)NNCCCC 22a_100025702795_100000210699 [1,1,0,0,0,0|2,0,0]=4 4148 B10R0.1 CC=CCOCC(C)CCC 34a_100000688023_100000070051 [1,1,0,0,0,0|1,0,1]=4 4149 B10R0.1 CC=CCOCC(C)CCC 7a_100000688023_100000070051 [1,1,0,0,0,0|1,0,1]=4 4150 B10R0.1 CC=CCOC[C@@H](N)CCC 34a_100000732646_100000070051 [1,1,0,0,0,0|1,0,1]=4 4151 B10R0.1 CC=CCSCC(C)CCC 62a_100000070051_100011216630 [1,1,0,0,0,0|1,0,1]=4 4152 B10R0.1 CC=CCSCC(C)CCC 62a_100011216630_100000070051 [1,1,0,0,0,0|1,0,1]=4 4153 B10R0.1 CCCC(C)CCOCC=O 34a_100011217855_200009817547 [1,1,0,0,0,0|1,0,1]=4 4154 B10R0.1 CCCC(C)CCOCC=O 7a_100011217855_200015260668 [1,1,0,0,0,0|1,0,1]=4 4155 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [1,1,0,0,0,0|1,0,0]=3 4156 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [1,1,0,0,0,0|1,0,0]=3 4157 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [1,1,0,0,0,0|1,0,0]=3 4158 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [1,1,0,0,0,0|0,0,2]=4 4159 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [1,1,0,0,0,0|0,0,2]=4 4160 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [1,1,0,0,0,0|1,0,1]=4 4161 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [1,1,0,0,0,0|1,0,1]=4 4162 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [1,1,0,0,0,0|1,0,1]=4 4163 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [1,1,0,0,0,0|1,0,1]=4 4164 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [1,1,0,0,0,0|1,0,1]=4 4165 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [1,1,0,0,0,0|2,0,0]=4 4166 B10R0.1 CCCCCCN(C)CC=O 2230a_106256046315_200015260668 [1,1,0,0,0,0|1,0,1]=4 4167 B10R0.1 CCCCCCN(C)CC=O 269982a_106256046315_200015260668 [1,1,0,0,0,0|1,0,1]=4 4168 B10R0.1 CCCCCNC(=O)C=CBr 1626a_100000209983_100016273825 [1,1,0,0,0,0|2,0,0]=4 4169 B10R0.1 CCCCCNC(=O)C=CBr 240690a_100000209983_100016273825 [1,1,0,0,0,0|2,0,0]=4 4170 B10R0.1 CCCCCNC(=O)C=CCl 11a_100000209983_200016279998 [1,1,0,0,0,0|2,0,0]=4 4171 B10R0.1 CCCCCNC(=O)C=CCl 1626a_100000209983_200016279998 [1,1,0,0,0,0|2,0,0]=4 4172 B10R0.1 CCCCCNC(=O)C=CCl 240690a_100000209983_200016279998 [1,1,0,0,0,0|2,0,0]=4 4173 B10R0.1 CCCCCNC(=O)C=CI 1626a_100000209983_100016256311 [1,1,0,0,0,0|2,0,0]=4 4174 B10R0.1 CCCCOCC(=O)C=CBr 1458a_100016273825_100011995733 [1,1,0,0,0,0|2,0,0]=4 4175 B10R0.1 CCCCOCC(=O)C=CCl 1458a_200016279998_100011995733 [1,1,0,0,0,0|2,0,0]=4 4176 B10R0.1 CCCCOCC(=O)C=CI 1458a_100016256311_100011995733 [1,1,0,0,0,0|2,0,0]=4 4177 B10R0.1 CCCOCCC(=O)C=CBr 1458a_100016273825_100011215938 [1,1,0,0,0,0|2,0,0]=4 4178 B10R0.1 CCCOCCC(=O)C=CCl 1458a_200016279998_100011215938 [1,1,0,0,0,0|2,0,0]=4 4179 B10R0.1 CCCOCCC(=O)C=CI 1458a_100016256311_100011215938 [1,1,0,0,0,0|2,0,0]=4 4180 B10R0.1 CCC[C@H](N)CCOCC=O 34a_100015193777_200009817547 [1,1,0,0,0,0|1,0,1]=4 4181 B10R0.1 CCOCCCC(=O)C=CBr 1458a_100016273825_100012232248 [1,1,0,0,0,0|2,0,0]=4 4182 B10R0.1 CCOCCCC(=O)C=CCl 1458a_200016279998_100012232248 [1,1,0,0,0,0|2,0,0]=4 4183 B10R0.1 CCOCCCC(=O)C=CI 1458a_100016256311_100012232248 [1,1,0,0,0,0|2,0,0]=4 4184 B10R0.1 COCCCCC(=O)C=CBr 1458a_100016273825_100000755781 [1,1,0,0,0,0|2,0,0]=4 4185 B10R0.1 COCCCCC(=O)C=CCl 1458a_200016279998_100000755781 [1,1,0,0,0,0|2,0,0]=4 4186 B10R0.1 COCCCCC(=O)C=CI 1458a_100016256311_100000755781 [1,1,0,0,0,0|2,0,0]=4 4187 B10R0.1 O=C(C=CBr)CCCCCF 1458a_100016273825_100000729378 [1,1,0,0,0,0|2,0,0]=4 4188 B10R0.1 O=C(C=CBr)CCCCCO 1458a_100016273825_100000746330 [1,1,0,0,0,0|2,0,0]=4 4189 B10R0.1 O=C(C=CCl)CCCCCF 1458a_200016279998_100000729378 [1,1,0,0,0,0|2,0,0]=4 4190 B10R0.1 O=C(C=CCl)CCCCCO 1458a_200016279998_100000746330 [1,1,0,0,0,0|2,0,0]=4 4191 B10R0.1 O=C(C=CI)CCCCCF 1458a_100016256311_100000729378 [1,1,0,0,0,0|2,0,0]=4 4192 B10R0.1 O=C(C=CI)CCCCCO 1458a_100016256311_100000746330 [1,1,0,0,0,0|2,0,0]=4 4193 B10R0.71 C/C=C/C=C/COCCCC 34a_100016283227_100000210210 [1,1,0,0,0,0|0,0,1]=3 4194 B10R0.71 C/C=C/C=C/COCCCF 34a_100016283227_100011934791 [1,1,0,0,0,0|1,0,1]=4 4195 B10R0.71 C/C=C/C=C/COCCCO 34a_100016283227_100000230001 [1,1,0,0,0,0|1,0,1]=4 4196 B10R0.71 C/C=C/C=C/COCCOC 34a_100016283227_100011201679 [1,1,0,0,0,0|1,0,1]=4 4197 B10R0.71 C/C=C/C=C/COCCSC 34a_100016283227_100000212216 [1,1,0,0,0,0|1,0,1]=4 4198 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [1,1,0,0,0,0|0,0,1]=3 4199 B10R0.71 C/C=C/CCOCCCCF 34a_100016278192_100000729493 [1,1,0,0,0,0|1,0,1]=4 4200 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [1,1,0,0,0,0|1,0,1]=4 4201 B10R0.71 C/C=C/CCOCCCOC 34a_100016278192_100000740836 [1,1,0,0,0,0|1,0,1]=4 4202 B10R0.71 C/C=C/CCOCCOCC 34a_100016278192_100000210147 [1,1,0,0,0,0|1,0,1]=4 4203 B10R0.71 C/C=C/CCOCCSCC 34a_100016278192_100000757381 [1,1,0,0,0,0|1,0,1]=4 4204 B10R0.71 C/C=C/CNCCCCCO 34a_100000762737_100102629194 [1,1,0,0,0,0|1,0,1]=4 4205 B10R0.71 C/C=C/CNCCCOCC 34a_100000210961_100102629194 [1,1,0,0,0,0|1,0,1]=4 4206 B10R0.71 C/C=C/CNCCOCCC 34a_100161115042_100102629194 [1,1,0,0,0,0|1,0,1]=4 4207 B10R0.71 C/C=C/COCCCCCBr 34a_100000746331_100102629194 [1,1,0,0,0,0|1,0,1]=4 4208 B10R0.71 C/C=C/COCCCCCBr 7a_100000746331_100102629194 [1,1,0,0,0,0|1,0,1]=4 4209 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,1,0,0,0,0|0,0,1]=3 4210 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,1,0,0,0,0|0,0,1]=3 4211 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,1,0,0,0,0|0,0,1]=3 4212 B10R0.71 C/C=C/COCCCCCCl 34a_100000746330_100102629194 [1,1,0,0,0,0|1,0,1]=4 4213 B10R0.71 C/C=C/COCCCCCCl 7a_100000746330_100102629194 [1,1,0,0,0,0|1,0,1]=4 4214 B10R0.71 C/C=C/COCCCCCF 34a_100016270725_100000729378 [1,1,0,0,0,0|1,0,1]=4 4215 B10R0.71 C/C=C/COCCCCCI 34a_200012148887_100102629194 [1,1,0,0,0,0|1,0,1]=4 4216 B10R0.71 C/C=C/COCCCCCI 7a_200012148887_100102629194 [1,1,0,0,0,0|1,0,1]=4 4217 B10R0.71 C/C=C/COCCCCCN 34a_100000762737_100102629194 [1,1,0,0,0,0|1,0,1]=4 4218 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [1,1,0,0,0,0|1,0,1]=4 4219 B10R0.71 C/C=C/COCCCCOC 34a_100000740925_100102629194 [1,1,0,0,0,0|1,0,1]=4 4220 B10R0.71 C/C=C/COCCCCOC 34a_100016270725_100000755781 [1,1,0,0,0,0|1,0,1]=4 4221 B10R0.71 C/C=C/COCCCCSC 34a_100011217163_100102629194 [1,1,0,0,0,0|1,0,1]=4 4222 B10R0.71 C/C=C/COCCCCSC 7a_100011217163_100102629194 [1,1,0,0,0,0|1,0,1]=4 4223 B10R0.71 C/C=C/COCCCOCC 34a_100000757476_100102629194 [1,1,0,0,0,0|1,0,1]=4 4224 B10R0.71 C/C=C/COCCCOCC 34a_100016270725_100012232248 [1,1,0,0,0,0|1,0,1]=4 4225 B10R0.71 C/C=C/COCCCOCC 7a_100000757476_100102629194 [1,1,0,0,0,0|1,0,1]=4 4226 B10R0.71 C/C=C/COCCCSCC 34a_100011216438_100102629194 [1,1,0,0,0,0|1,0,1]=4 4227 B10R0.71 C/C=C/COCCCSCC 7a_100011216438_100102629194 [1,1,0,0,0,0|1,0,1]=4 4228 B10R0.71 C/C=C/COCCOCCC 34a_100000752267_100102629194 [1,1,0,0,0,0|1,0,1]=4 4229 B10R0.71 C/C=C/COCCOCCC 34a_100016270725_100011215938 [1,1,0,0,0,0|1,0,1]=4 4230 B10R0.71 C/C=C/COCCOCCC 7a_100000752267_100102629194 [1,1,0,0,0,0|1,0,1]=4 4231 B10R0.71 C/C=C/COCCSCCC 34a_200000230433_100102629194 [1,1,0,0,0,0|1,0,1]=4 4232 B10R0.71 C/C=C/COCCSCCC 7a_200000230433_100102629194 [1,1,0,0,0,0|1,0,1]=4 4233 B10R0.71 C/C=C/COCOCCCC 34a_100016270725_100011995733 [1,1,0,0,0,0|1,0,1]=4 4234 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [1,1,0,0,0,0|0,0,1]=3 4235 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [1,1,0,0,0,0|0,0,1]=3 4236 B10R0.71 C/C=C/CSCCCCCF 62a_100000729378_100102629194 [1,1,0,0,0,0|1,0,1]=4 4237 B10R0.71 C/C=C/CSCCCCCF 62a_100102629194_100000729378 [1,1,0,0,0,0|1,0,1]=4 4238 B10R0.71 C/C=C/CSCCCCCO 62a_100000746330_100102629194 [1,1,0,0,0,0|1,0,1]=4 4239 B10R0.71 C/C=C/CSCCCCCO 62a_100102629194_100000746330 [1,1,0,0,0,0|1,0,1]=4 4240 B10R0.71 C/C=C/CSCCCCOC 62a_100000730899_100102629194 [1,1,0,0,0,0|1,0,1]=4 4241 B10R0.71 C/C=C/CSCCCCOC 62a_100102629194_100000730899 [1,1,0,0,0,0|1,0,1]=4 4242 B10R0.71 C/C=C/CSCCCOCC 62a_100012232248_100102629194 [1,1,0,0,0,0|1,0,1]=4 4243 B10R0.71 C/C=C/CSCCCOCC 62a_100102629194_100012232248 [1,1,0,0,0,0|1,0,1]=4 4244 B10R0.71 C/C=C/CSCCOCCC 62a_100011215938_100102629194 [1,1,0,0,0,0|1,0,1]=4 4245 B10R0.71 C/C=C/CSCCOCCC 62a_100102629194_100011215938 [1,1,0,0,0,0|1,0,1]=4 4246 B10R0.71 C/C=C/CSCOCCCC 62a_100011995733_100102629194 [1,1,0,0,0,0|1,0,1]=4 4247 B10R0.71 C/C=C/CSCOCCCC 62a_100102629194_100011995733 [1,1,0,0,0,0|1,0,1]=4 4248 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [1,1,0,0,0,0|0,0,1]=3 4249 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [1,1,0,0,0,0|0,0,1]=3 4250 B10R0.71 CC/C=C/CCCOCCF 34a_100016287902_100011217306 [1,1,0,0,0,0|1,0,1]=4 4251 B10R0.71 CC/C=C/CCCOCCF 7a_100016287902_100011217306 [1,1,0,0,0,0|1,0,1]=4 4252 B10R0.71 CC/C=C/CCCOCCO 34a_100016287902_100000211926 [1,1,0,0,0,0|1,0,1]=4 4253 B10R0.71 CC/C=C/CCCOCCO 7a_100016287902_100000211926 [1,1,0,0,0,0|1,0,1]=4 4254 B10R0.71 CC/C=C/CCCOCSC 34a_100016287902_100011218213 [1,1,0,0,0,0|1,0,1]=4 4255 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [1,1,0,0,0,0|0,0,1]=3 4256 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [1,1,0,0,0,0|0,0,1]=3 4257 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [1,1,0,0,0,0|0,0,1]=3 4258 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [1,1,0,0,0,0|0,0,1]=3 4259 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [1,1,0,0,0,0|0,0,1]=3 4260 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [1,1,0,0,0,0|0,0,1]=3 4261 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [1,1,0,0,0,0|0,0,1]=3 4262 B10R0.71 CC/C=C\CCCCOCF 34a_100016287862_100015361967 [1,1,0,0,0,0|1,0,1]=4 4263 B10R0.71 CC/C=C\CCCCOCF 7a_100016287862_100015361967 [1,1,0,0,0,0|1,0,1]=4 4264 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [1,1,0,0,0,0|0,0,1]=3 4265 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [1,1,0,0,0,0|0,0,1]=3 4266 B10R0.71 CC/C=C\CCNCCCF 2230a_100015189416_100015370543 [1,1,0,0,0,0|1,0,1]=4 4267 B10R0.71 CC/C=C\CCNCCCF 34a_100015189416_100015370543 [1,1,0,0,0,0|1,0,1]=4 4268 B10R0.71 CC/C=C\CCNCCOC 2230a_100000209980_100015370543 [1,1,0,0,0,0|1,0,1]=4 4269 B10R0.71 CC/C=C\CCNCCSC 2230a_100020590264_100015370543 [1,1,0,0,0,0|1,0,1]=4 4270 B10R0.71 CC/C=C\CCOCCCBr 34a_100011217188_100015370543 [1,1,0,0,0,0|1,0,1]=4 4271 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [1,1,0,0,0,0|0,0,1]=3 4272 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [1,1,0,0,0,0|0,0,1]=3 4273 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [1,1,0,0,0,0|0,0,1]=3 4274 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [1,1,0,0,0,0|0,0,1]=3 4275 B10R0.71 CC/C=C\CCOCCCCl 34a_100000230001_100015370543 [1,1,0,0,0,0|1,0,1]=4 4276 B10R0.71 CC/C=C\CCOCCCF 34a_100000759539_100015370543 [1,1,0,0,0,0|1,0,1]=4 4277 B10R0.71 CC/C=C\CCOCCCF 34a_100016288707_100011934791 [1,1,0,0,0,0|1,0,1]=4 4278 B10R0.71 CC/C=C\CCOCCCF 7a_100016288707_100011934791 [1,1,0,0,0,0|1,0,1]=4 4279 B10R0.71 CC/C=C\CCOCCCN 34a_100000182051_100015370543 [1,1,0,0,0,0|1,0,1]=4 4280 B10R0.71 CC/C=C\CCOCCCO 34a_100016288707_100000230001 [1,1,0,0,0,0|1,0,1]=4 4281 B10R0.71 CC/C=C\CCOCCCO 7a_100016288707_100011215043 [1,1,0,0,0,0|1,0,1]=4 4282 B10R0.71 CC/C=C\CCOCCOC 34a_100000210237_100015370543 [1,1,0,0,0,0|1,0,1]=4 4283 B10R0.71 CC/C=C\CCOCCOC 34a_100016288707_100011201679 [1,1,0,0,0,0|1,0,1]=4 4284 B10R0.71 CC/C=C\CCOCCOC 7a_100016288707_100000233755 [1,1,0,0,0,0|1,0,1]=4 4285 B10R0.71 CC/C=C\CCOCCSC 34a_100000230434_100015370543 [1,1,0,0,0,0|1,0,1]=4 4286 B10R0.71 CC/C=C\CCOCCSC 34a_100016288707_100000212216 [1,1,0,0,0,0|1,0,1]=4 4287 B10R0.71 CC/C=C\CCOCCSC 7a_100000230434_100015370543 [1,1,0,0,0,0|1,0,1]=4 4288 B10R0.71 CC/C=C\CCOCCSC 7a_100016288707_100000212216 [1,1,0,0,0,0|1,0,1]=4 4289 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [1,1,0,0,0,0|0,0,1]=3 4290 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [1,1,0,0,0,0|0,0,1]=3 4291 B10R0.71 CC/C=C\CCSCCCF 62a_100011934791_100015370543 [1,1,0,0,0,0|1,0,1]=4 4292 B10R0.71 CC/C=C\CCSCCCF 62a_100015370543_100011934791 [1,1,0,0,0,0|1,0,1]=4 4293 B10R0.71 CC/C=C\CCSCCCO 62a_100011215043_100015370543 [1,1,0,0,0,0|1,0,1]=4 4294 B10R0.71 CC/C=C\CCSCCCO 62a_100015370543_100011215043 [1,1,0,0,0,0|1,0,1]=4 4295 B10R0.71 CC/C=C\CCSCCOC 62a_100000233755_100015370543 [1,1,0,0,0,0|1,0,1]=4 4296 B10R0.71 CC/C=C\CCSCCOC 62a_100015370543_100000233755 [1,1,0,0,0,0|1,0,1]=4 4297 B10R0.71 CC/C=C\CCSCCSC 62a_100000212216_100015370543 [1,1,0,0,0,0|1,0,1]=4 4298 B10R0.71 CC/C=C\CCSCCSC 62a_100015370543_100000751147 [1,1,0,0,0,0|1,0,1]=4 4299 B10R0.71 CC/C=C\CCSCOCC 62a_100000739092_100015370543 [1,1,0,0,0,0|1,0,1]=4 4300 B10R0.71 CC/C=C\CCSCOCC 62a_100015370543_100000739092 [1,1,0,0,0,0|1,0,1]=4 4301 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [1,1,0,0,0,0|0,0,1]=3 4302 B10R0.71 CC/C=C\CNCCCCO 2230a_100000750430_100103147603 [1,1,0,0,0,0|1,0,1]=4 4303 B10R0.71 CC/C=C\CNCCCCO 34a_100000750430_100103147603 [1,1,0,0,0,0|1,0,1]=4 4304 B10R0.71 CC/C=C\CNCCCOC 34a_100150723488_100103147603 [1,1,0,0,0,0|1,0,1]=4 4305 B10R0.71 CC/C=C\CNCCCSC 2230a_100000749238_100103147603 [1,1,0,0,0,0|1,0,1]=4 4306 B10R0.71 CC/C=C\CNCCOCC 2230a_102516460346_100103147603 [1,1,0,0,0,0|1,0,1]=4 4307 B10R0.71 CC/C=C\CNCCOCC 34a_102516460346_100103147603 [1,1,0,0,0,0|1,0,1]=4 4308 B10R0.71 CC/C=C\CNCCSCC 2230a_100000106463_100103147603 [1,1,0,0,0,0|1,0,1]=4 4309 B10R0.71 CC/C=C\COCCCCBr 34a_100011216708_100103147603 [1,1,0,0,0,0|1,0,1]=4 4310 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [1,1,0,0,0,0|0,0,1]=3 4311 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [1,1,0,0,0,0|0,0,1]=3 4312 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [1,1,0,0,0,0|0,0,1]=3 4313 B10R0.71 CC/C=C\COCCCCCl 34a_100000210776_100103147603 [1,1,0,0,0,0|1,0,1]=4 4314 B10R0.71 CC/C=C\COCCCCCl 7a_100000210776_100103147603 [1,1,0,0,0,0|1,0,1]=4 4315 B10R0.71 CC/C=C\COCCCCF 34a_100011995726_100103147603 [1,1,0,0,0,0|1,0,1]=4 4316 B10R0.71 CC/C=C\COCCCCF 34a_100016268518_100000729493 [1,1,0,0,0,0|1,0,1]=4 4317 B10R0.71 CC/C=C\COCCCCF 7a_100011995726_100103147603 [1,1,0,0,0,0|1,0,1]=4 4318 B10R0.71 CC/C=C\COCCCCI 34a_200012148704_100103147603 [1,1,0,0,0,0|1,0,1]=4 4319 B10R0.71 CC/C=C\COCCCCN 34a_100000750430_100103147603 [1,1,0,0,0,0|1,0,1]=4 4320 B10R0.71 CC/C=C\COCCCCO 34a_100016268518_100011216708 [1,1,0,0,0,0|1,0,1]=4 4321 B10R0.71 CC/C=C\COCCCNC 34a_100000213112_100103147603 [1,1,0,0,0,0|1,0,1]=4 4322 B10R0.71 CC/C=C\COCCCOC 34a_100000740835_100103147603 [1,1,0,0,0,0|1,0,1]=4 4323 B10R0.71 CC/C=C\COCCCOC 34a_100016268518_100000740836 [1,1,0,0,0,0|1,0,1]=4 4324 B10R0.71 CC/C=C\COCCCSC 34a_100000690336_100103147603 [1,1,0,0,0,0|1,0,1]=4 4325 B10R0.71 CC/C=C\COCCCSC 7a_100000690336_100103147603 [1,1,0,0,0,0|1,0,1]=4 4326 B10R0.71 CC/C=C\COCCOCC 34a_100000210136_100103147603 [1,1,0,0,0,0|1,0,1]=4 4327 B10R0.71 CC/C=C\COCCOCC 34a_100016268518_100000210147 [1,1,0,0,0,0|1,0,1]=4 4328 B10R0.71 CC/C=C\COCCOCC 7a_100000210136_100103147603 [1,1,0,0,0,0|1,0,1]=4 4329 B10R0.71 CC/C=C\COCCSCC 34a_100000212035_100103147603 [1,1,0,0,0,0|1,0,1]=4 4330 B10R0.71 CC/C=C\COCCSCC 34a_100016268518_100000757381 [1,1,0,0,0,0|1,0,1]=4 4331 B10R0.71 CC/C=C\COCCSCC 7a_100000212035_100103147603 [1,1,0,0,0,0|1,0,1]=4 4332 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [1,1,0,0,0,0|0,0,1]=3 4333 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [1,1,0,0,0,0|0,0,1]=3 4334 B10R0.71 CC/C=C\CSCCCCF 62a_100000729493_100103147603 [1,1,0,0,0,0|1,0,1]=4 4335 B10R0.71 CC/C=C\CSCCCCF 62a_100103147603_100000729493 [1,1,0,0,0,0|1,0,1]=4 4336 B10R0.71 CC/C=C\CSCCCCO 62a_100000210776_100103147603 [1,1,0,0,0,0|1,0,1]=4 4337 B10R0.71 CC/C=C\CSCCCCO 62a_100103147603_100000210776 [1,1,0,0,0,0|1,0,1]=4 4338 B10R0.71 CC/C=C\CSCCCOC 62a_100000709357_100103147603 [1,1,0,0,0,0|1,0,1]=4 4339 B10R0.71 CC/C=C\CSCCCOC 62a_100103147603_100000709357 [1,1,0,0,0,0|1,0,1]=4 4340 B10R0.71 CC/C=C\CSCCOCC 62a_100000210147_100103147603 [1,1,0,0,0,0|1,0,1]=4 4341 B10R0.71 CC/C=C\CSCCOCC 62a_100103147603_100011215890 [1,1,0,0,0,0|1,0,1]=4 4342 B10R0.71 CC/C=C\CSCCSCC 62a_100000757381_100103147603 [1,1,0,0,0,0|1,0,1]=4 4343 B10R0.71 CC/C=C\CSCCSCC 62a_100103147603_100000757381 [1,1,0,0,0,0|1,0,1]=4 4344 B10R0.71 CC=C=CCCOCCCC 34a_100011020354_100000210210 [1,1,0,0,0,0|0,0,1]=3 4345 B10R0.71 CC=C=CCCOCCCF 34a_100011020354_100011934791 [1,1,0,0,0,0|1,0,1]=4 4346 B10R0.71 CC=C=CCCOCCCO 34a_100011020354_100000230001 [1,1,0,0,0,0|1,0,1]=4 4347 B10R0.71 CC=C=CCCOCCOC 34a_100011020354_100011201679 [1,1,0,0,0,0|1,0,1]=4 4348 B10R0.71 CC=C=CCCOCCSC 34a_100011020354_100000212216 [1,1,0,0,0,0|1,0,1]=4 4349 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [1,1,0,0,0,0|0,0,1]=3 4350 B10R0.71 CC=CCCCOCCCF 34a_100020645299_100011934791 [1,1,0,0,0,0|1,0,1]=4 4351 B10R0.71 CC=CCCCOCCCO 34a_100020645299_100000230001 [1,1,0,0,0,0|1,0,1]=4 4352 B10R0.71 CC=CCCCOCCOC 34a_100020645299_100011201679 [1,1,0,0,0,0|1,0,1]=4 4353 B10R0.71 CC=CCCCOCCSC 34a_100020645299_100000212216 [1,1,0,0,0,0|1,0,1]=4 4354 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [1,1,0,0,0,0|0,0,1]=3 4355 B10R0.71 CC=CCNCCCCCO 2230a_100000762737_100000070051 [1,1,0,0,0,0|1,0,1]=4 4356 B10R0.71 CC=CCNCCCCCO 34a_100000762737_100000070051 [1,1,0,0,0,0|1,0,1]=4 4357 B10R0.71 CC=CCNCCCOCC 2230a_100000210961_100000070051 [1,1,0,0,0,0|1,0,1]=4 4358 B10R0.71 CC=CCNCCCOCC 34a_100000210961_100000070051 [1,1,0,0,0,0|1,0,1]=4 4359 B10R0.71 CC=CCNCCOCCC 2230a_100161115042_100000070051 [1,1,0,0,0,0|1,0,1]=4 4360 B10R0.71 CC=CCNCCOCCC 34a_100161115042_100000070051 [1,1,0,0,0,0|1,0,1]=4 4361 B10R0.71 CC=CCNCCSCCC 2230a_100020603323_100000070051 [1,1,0,0,0,0|1,0,1]=4 4362 B10R0.71 CC=CCOCCCCCBr 34a_100000746331_100000070051 [1,1,0,0,0,0|1,0,1]=4 4363 B10R0.71 CC=CCOCCCCCBr 7a_100000746331_100000070051 [1,1,0,0,0,0|1,0,1]=4 4364 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,1,0,0,0,0|0,0,1]=3 4365 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,1,0,0,0,0|0,0,1]=3 4366 B10R0.71 CC=CCOCCCCCCl 34a_100000746330_100000070051 [1,1,0,0,0,0|1,0,1]=4 4367 B10R0.71 CC=CCOCCCCCCl 7a_100000746330_100000070051 [1,1,0,0,0,0|1,0,1]=4 4368 B10R0.71 CC=CCOCCCCCI 34a_200012148887_100000070051 [1,1,0,0,0,0|1,0,1]=4 4369 B10R0.71 CC=CCOCCCCCI 7a_200012148887_100000070051 [1,1,0,0,0,0|1,0,1]=4 4370 B10R0.71 CC=CCOCCCCCN 34a_100000762737_100000070051 [1,1,0,0,0,0|1,0,1]=4 4371 B10R0.71 CC=CCOCCCCOC 34a_100000740925_100000070051 [1,1,0,0,0,0|1,0,1]=4 4372 B10R0.71 CC=CCOCCCCSC 34a_100011217163_100000070051 [1,1,0,0,0,0|1,0,1]=4 4373 B10R0.71 CC=CCOCCCCSC 7a_100011217163_100000070051 [1,1,0,0,0,0|1,0,1]=4 4374 B10R0.71 CC=CCOCCCOCC 34a_100000757476_100000070051 [1,1,0,0,0,0|1,0,1]=4 4375 B10R0.71 CC=CCOCCCOCC 7a_100000757476_100000070051 [1,1,0,0,0,0|1,0,1]=4 4376 B10R0.71 CC=CCOCCCSCC 34a_100011216438_100000070051 [1,1,0,0,0,0|1,0,1]=4 4377 B10R0.71 CC=CCOCCCSCC 7a_100011216438_100000070051 [1,1,0,0,0,0|1,0,1]=4 4378 B10R0.71 CC=CCOCCOCCC 34a_100000752267_100000070051 [1,1,0,0,0,0|1,0,1]=4 4379 B10R0.71 CC=CCOCCOCCC 7a_100000752267_100000070051 [1,1,0,0,0,0|1,0,1]=4 4380 B10R0.71 CC=CCOCCSCCC 34a_200000230433_100000070051 [1,1,0,0,0,0|1,0,1]=4 4381 B10R0.71 CC=CCOCCSCCC 7a_200000230433_100000070051 [1,1,0,0,0,0|1,0,1]=4 4382 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [1,1,0,0,0,0|0,0,1]=3 4383 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [1,1,0,0,0,0|0,0,1]=3 4384 B10R0.71 CC=CCSCCCCCF 62a_100000070051_100000729378 [1,1,0,0,0,0|1,0,1]=4 4385 B10R0.71 CC=CCSCCCCCF 62a_100000729378_100000070051 [1,1,0,0,0,0|1,0,1]=4 4386 B10R0.71 CC=CCSCCCCCO 62a_100000070051_100000746330 [1,1,0,0,0,0|1,0,1]=4 4387 B10R0.71 CC=CCSCCCCCO 62a_100000746330_100000070051 [1,1,0,0,0,0|1,0,1]=4 4388 B10R0.71 CC=CCSCCCCOC 62a_100000070051_100000730899 [1,1,0,0,0,0|1,0,1]=4 4389 B10R0.71 CC=CCSCCCCOC 62a_100000730899_100000070051 [1,1,0,0,0,0|1,0,1]=4 4390 B10R0.71 CC=CCSCCCOCC 62a_100000070051_100012232248 [1,1,0,0,0,0|1,0,1]=4 4391 B10R0.71 CC=CCSCCCOCC 62a_100012232248_100000070051 [1,1,0,0,0,0|1,0,1]=4 4392 B10R0.71 CC=CCSCCOCCC 62a_100000070051_100011215938 [1,1,0,0,0,0|1,0,1]=4 4393 B10R0.71 CC=CCSCCOCCC 62a_100011215938_100000070051 [1,1,0,0,0,0|1,0,1]=4 4394 B10R0.71 CC=CCSCOCCCC 62a_100000070051_100011995733 [1,1,0,0,0,0|1,0,1]=4 4395 B10R0.71 CC=CCSCOCCCC 62a_100011995733_100000070051 [1,1,0,0,0,0|1,0,1]=4 4396 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [1,1,0,0,0,0|1,0,1]=4 4397 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [1,1,0,0,0,0|1,0,1]=4 4398 B10R0.71 CCC=CC=NNCCCC 4a_100025702795_100011216943 [1,1,0,0,0,0|2,0,0]=4 4399 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [1,1,0,0,0,0|0,0,1]=3 4400 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [1,1,0,0,0,0|0,0,1]=3 4401 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [1,1,0,0,0,0|0,0,1]=3 4402 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [1,1,0,0,0,0|0,0,1]=3 4403 B10R0.71 CCCCCCC=NNCC 4a_100000756455_100000234349 [1,1,0,0,0,0|1,0,1]=4 4404 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [1,1,0,0,0,0|0,0,2]=4 4405 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,1,0,0,0,0|0,0,2]=4 4406 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,1,0,0,0,0|0,0,2]=4 4407 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [1,1,0,0,0,0|0,0,2]=4 4408 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [1,1,0,0,0,0|0,0,2]=4 4409 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [1,1,0,0,0,0|0,0,2]=4 4410 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [1,1,0,0,0,0|0,0,2]=4 4411 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [1,1,0,0,0,0|0,0,2]=4 4412 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [1,1,0,0,0,0|0,0,2]=4 4413 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [1,1,0,0,0,0|0,0,2]=4 4414 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [1,1,0,0,0,0|0,0,2]=4 4415 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [1,1,0,0,0,0|0,0,2]=4 4416 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [1,1,0,0,0,0|1,0,1]=4 4417 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [1,1,0,0,0,0|1,0,1]=4 4418 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [1,1,0,0,0,0|1,0,1]=4 4419 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [1,1,0,0,0,0|1,0,1]=4 4420 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [1,1,0,0,0,0|0,0,2]=4 4421 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [1,1,0,0,0,0|0,0,2]=4 4422 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [1,1,0,0,0,0|1,0,1]=4 4423 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [1,1,0,0,0,0|1,0,1]=4 4424 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [1,1,0,0,0,0|1,0,1]=4 4425 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [1,1,0,0,0,0|1,0,1]=4 4426 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [1,1,0,0,0,0|1,0,1]=4 4427 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [1,1,0,0,0,0|0,0,2]=4 4428 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [1,1,0,0,0,0|0,0,2]=4 4429 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [1,1,0,0,0,0|1,0,1]=4 4430 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [1,1,0,0,0,0|1,0,1]=4 4431 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [1,1,0,0,0,0|1,0,1]=4 4432 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [1,1,0,0,0,0|1,0,1]=4 4433 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [1,1,0,0,0,0|1,0,1]=4 4434 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [1,1,0,0,0,0|1,0,1]=4 4435 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [1,1,0,0,0,0|1,0,1]=4 4436 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [1,1,0,0,0,0|1,0,1]=4 4437 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [1,1,0,0,0,0|1,0,1]=4 4438 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [1,1,0,0,0,0|1,0,1]=4 4439 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [1,1,0,0,0,0|1,0,1]=4 4440 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [1,1,0,0,0,0|1,0,1]=4 4441 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [1,1,0,0,0,0|1,0,1]=4 4442 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [1,1,0,0,0,0|1,0,1]=4 4443 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [1,1,0,0,0,0|1,0,1]=4 4444 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [1,1,0,0,0,0|1,0,1]=4 4445 B10R0.91 C/C=C/C=CC(=O)CCCC 1458a_100000185730_100000210211 [1,1,0,0,0,0|0,0,2]=4 4446 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [1,1,0,0,0,0|0,0,2]=4 4447 B10R0.91 C/C=C/CN(C)CCCCC 269982a_100000223495_100102629194 [1,1,0,0,0,0|1,0,1]=4 4448 B10R0.91 C/C=C/COC(C)CCCC 34a_100000687866_100102629194 [1,1,0,0,0,0|1,0,1]=4 4449 B10R0.91 C/C=C/COC(C)CCCC 34a_100016270725_200011215066 [1,1,0,0,0,0|1,0,1]=4 4450 B10R0.91 C/C=C/COC(C)CCCC 7a_100000687866_100102629194 [1,1,0,0,0,0|1,0,1]=4 4451 B10R0.91 C/C=C/CSC(C)CCCC 62a_100102629194_200011215066 [1,1,0,0,0,0|1,0,1]=4 4452 B10R0.91 C/C=C/CSC(C)CCCC 62a_200011215066_100102629194 [1,1,0,0,0,0|1,0,1]=4 4453 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [1,1,0,0,0,0|0,0,2]=4 4454 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [1,1,0,0,0,0|0,0,2]=4 4455 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [1,1,0,0,0,0|0,0,2]=4 4456 B10R0.91 CC/C=C\CN(C)CCCC 2230a_100000207549_100103147603 [1,1,0,0,0,0|1,0,1]=4 4457 B10R0.91 CC/C=C\CN(C)CCCC 269982a_100000207549_100103147603 [1,1,0,0,0,0|1,0,1]=4 4458 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [1,1,0,0,0,0|0,0,2]=4 4459 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [1,1,0,0,0,0|0,0,2]=4 4460 B10R0.91 CC=CCN(C)CCCCC 2230a_100000223495_100000070051 [1,1,0,0,0,0|1,0,1]=4 4461 B10R0.91 CC=CCNC(C)CCCC 2230a_100000126638_100000070051 [1,1,0,0,0,0|1,0,1]=4 4462 B10R0.91 CC=CCOC(C)CCCC 34a_100000687866_100000070051 [1,1,0,0,0,0|1,0,1]=4 4463 B10R0.91 CC=CCOC(C)CCCC 7a_100000687866_100000070051 [1,1,0,0,0,0|1,0,1]=4 4464 B10R0.91 CC=CCSC(C)CCCC 62a_100000070051_200011215066 [1,1,0,0,0,0|1,0,1]=4 4465 B10R0.91 CC=CCSC(C)CCCC 62a_200011215066_100000070051 [1,1,0,0,0,0|1,0,1]=4 4466 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [1,1,0,0,0,0|0,0,2]=4 4467 B10R0.91 CCCCC(C)COCC=O 34a_100011995851_200009817547 [1,1,0,0,0,0|1,0,1]=4 4468 B10R0.91 CCCCC(C)COCC=O 7a_100011995851_200015260668 [1,1,0,0,0,0|1,0,1]=4 4469 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [1,1,0,0,0,0|1,0,1]=4 4470 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [1,1,0,0,0,0|1,0,1]=4 4471 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [1,1,0,0,0,0|1,0,1]=4 4472 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [1,1,0,0,0,0|1,0,1]=4 4473 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [1,1,0,0,0,0|1,0,1]=4 4474 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [1,1,0,0,0,0|1,0,1]=4 4475 B10R0.91 CCCC[C@H](N)COCC=O 34a_100011934283_200009817547 [1,1,0,0,0,0|1,0,1]=4 4476 B12R0.2 CCCCC(=O)CC(=O)NC(=O)C 1458a_100000210183_100000183797 [0,2,0,0,0,0|1,0,1]=4 4477 B12R0.2 CCCCC(C)NC(=O)C=C(C)C 11a_100000126638_100000211388 [0,2,0,0,0,0|2,0,0]=4 4478 B12R0.2 CCCCC(C)NC(=O)C=C(C)C 1626a_100000126638_100000211388 [0,2,0,0,0,0|2,0,0]=4 4479 B12R0.2 CCCCC(C)NC(=O)C=C(C)C 240690a_100000126638_100000211388 [0,2,0,0,0,0|2,0,0]=4 4480 B12R0.2 CCCCC(C)NC(=O)C=C(C)Cl 11a_100000126638_200042562850 [0,2,0,0,0,0|2,0,0]=4 4481 B12R0.2 CCCCC(C)NC(=O)C=C(C)Cl 1626a_100000126638_200042562850 [0,2,0,0,0,0|2,0,0]=4 4482 B12R0.2 CCCCC(C)NC(=O)C=C(C)Cl 240690a_100000126638_200042562850 [0,2,0,0,0,0|2,0,0]=4 4483 B12R0.2 CCCCC(C)NC(=O)C=C(C)I 11a_100000126638_100025716642 [0,2,0,0,0,0|2,0,0]=4 4484 B12R0.2 CCCCC(C)NC(=O)C=C(C)I 1626a_100000126638_100025716642 [0,2,0,0,0,0|2,0,0]=4 4485 B12R0.2 CCCCN(C)CC(=O)NC(=O)C 269982a_100000207549_100000183797 [0,2,0,0,0,0|2,0,0]=4 4486 B12R0.4 C#CCCCCCC(=O)C=C(C)C 1458a_100000211388_100012094781 [0,2,0,0,0,0|1,0,1]=4 4487 B12R0.4 C#CCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100012094781 [0,2,0,0,0,0|1,0,1]=4 4488 B12R0.4 C#CCCCCCC(=O)C=C(C)I 1458a_100025716642_100012094781 [0,2,0,0,0,0|1,0,1]=4 4489 B12R0.4 C=C(C)CC(=O)C=CCCCCC 1458a_100016263427_100000748629 [0,2,0,0,0,0|1,0,1]=4 4490 B12R0.4 C=C(C)CC(=O)CCCCCCC 1458a_100000211969_100000748629 [0,2,0,0,0,0|1,0,1]=4 4491 B12R0.4 C=C(C)CC(=O)CCCCCCO 1458a_100011996774_100000748629 [0,2,0,0,0,0|1,0,1]=4 4492 B12R0.4 C=C(C)CC(=O)CCCCCOC 1458a_100011935119_100000748629 [0,2,0,0,0,0|1,0,1]=4 4493 B12R0.4 C=CCCCCCC(=O)C=C(C)C 1458a_100000211388_100000700193 [0,2,0,0,0,0|1,0,1]=4 4494 B12R0.4 C=CCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000700193 [0,2,0,0,0,0|1,0,1]=4 4495 B12R0.4 C=CCCCCCC(=O)C=C(C)I 1458a_100025716642_100000700193 [0,2,0,0,0,0|1,0,1]=4 4496 B12R0.4 CC(=CC(=O)CCCCCC#N)C 1458a_100000211388_100009813376 [0,2,0,0,0,0|1,0,1]=4 4497 B12R0.4 CC(=CC(=O)CCCCCC#N)Cl 1458a_200042562850_100009813376 [0,2,0,0,0,0|1,0,1]=4 4498 B12R0.4 CC(=CC(=O)CCCCCC#N)I 1458a_100025716642_100009813376 [0,2,0,0,0,0|1,0,1]=4 4499 B12R0.4 CC(=CC(=O)CCCCCCF)C 1458a_100000211388_100015922095 [0,2,0,0,0,0|1,0,0]=3 4500 B12R0.4 CC(=CC(=O)CCCCCCF)Cl 1458a_200042562850_100015922095 [0,2,0,0,0,0|1,0,0]=3 4501 B12R0.4 CC(=CC(=O)CCCCCCF)I 1458a_100025716642_100015922095 [0,2,0,0,0,0|1,0,0]=3 4502 B12R0.4 CC(=CC(=O)CCCCCCO)C 1458a_100000211388_100000766143 [0,2,0,0,0,0|1,0,0]=3 4503 B12R0.4 CC(=CC(=O)CCCCCCO)Cl 1458a_200042562850_100000766143 [0,2,0,0,0,0|1,0,0]=3 4504 B12R0.4 CC(=CC(=O)CCCCCCO)I 1458a_100025716642_100000766143 [0,2,0,0,0,0|1,0,0]=3 4505 B12R0.4 CC(=CC(=O)NCCCCCO)C 240690a_100000762737_100000211388 [0,2,0,0,0,0|2,0,0]=4 4506 B12R0.4 CC(=CC(=O)NCCCCCO)Cl 240690a_100000762737_200042562850 [0,2,0,0,0,0|2,0,0]=4 4507 B12R0.4 CC(=O)NC(=O)COCCCCCl 7a_100000210776_100000183797 [0,2,0,0,0,0|2,0,0]=4 4508 B12R0.4 CC(=O)NC(=O)COCCCCF 7a_100011995726_100000183797 [0,2,0,0,0,0|2,0,0]=4 4509 B12R0.4 CC(=O)NC(=O)CSCCCCF 62a_100000729493_100000183797 [0,2,0,0,0,0|2,0,0]=4 4510 B12R0.4 CC(=O)NC(=O)CSCCCCO 62a_100000210776_100000183797 [0,2,0,0,0,0|2,0,0]=4 4511 B12R0.4 CCCCCC=CC(=O)CC(=O)N 1458a_100016263427_100000187820 [0,2,0,0,0,0|1,0,1]=4 4512 B12R0.4 CCCCCC=CC(=O)CC(=O)[O-] 1458a_100016263427_100020667443 [0,2,0,0,0,0|1,0,1]=4 4513 B12R0.4 CCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210614 [0,2,0,0,0,0|1,0,0]=3 4514 B12R0.4 CCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210614 [0,2,0,0,0,0|1,0,0]=3 4515 B12R0.4 CCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210614 [0,2,0,0,0,0|1,0,0]=3 4516 B12R0.4 CCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210614 [0,2,0,0,0,0|2,0,0]=4 4517 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100000211969_100000187820 [0,2,0,0,0,0|1,0,1]=4 4518 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210614 [0,2,0,0,0,0|1,0,1]=4 4519 B12R0.4 CCCCCCCC(=O)CC(=O)[O-] 1458a_100000211969_100020667443 [0,2,0,0,0,0|1,0,1]=4 4520 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [0,2,0,0,0,0|0,0,2]=4 4521 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [0,2,0,0,0,0|0,0,2]=4 4522 B12R0.4 CCCCCCNC(=O)C=C(C)C 11a_100000210581_100000211388 [0,2,0,0,0,0|1,0,0]=3 4523 B12R0.4 CCCCCCNC(=O)C=C(C)C 1626a_100000210581_100000211388 [0,2,0,0,0,0|1,0,0]=3 4524 B12R0.4 CCCCCCNC(=O)C=C(C)C 240690a_100000210581_100000211388 [0,2,0,0,0,0|1,0,0]=3 4525 B12R0.4 CCCCCCNC(=O)C=C(C)Cl 11a_100000210581_200042562850 [0,2,0,0,0,0|1,0,0]=3 4526 B12R0.4 CCCCCCNC(=O)C=C(C)Cl 1626a_100000210581_200042562850 [0,2,0,0,0,0|1,0,0]=3 4527 B12R0.4 CCCCCCNC(=O)C=C(C)Cl 240690a_100000210581_200042562850 [0,2,0,0,0,0|1,0,0]=3 4528 B12R0.4 CCCCCCNC(=O)C=C(C)I 11a_100000210581_100025716642 [0,2,0,0,0,0|1,0,0]=3 4529 B12R0.4 CCCCCCNC(=O)C=C(C)I 1626a_100000210581_100025716642 [0,2,0,0,0,0|1,0,0]=3 4530 B12R0.4 CCCCCCNC(=O)C=C(Cl)Cl 1626a_100000210581_100000137448 [0,2,0,0,0,0|2,0,0]=4 4531 B12R0.4 CCCCCCNC(=O)C=C(Cl)Cl 240690a_100000210581_100000137448 [0,2,0,0,0,0|2,0,0]=4 4532 B12R0.4 CCCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230325 [0,2,0,0,0,0|0,0,1]=3 4533 B12R0.4 CCCCCCNC(=O)CC(=O)N 240690a_100000210581_100134613110 [0,2,0,0,0,0|1,0,1]=4 4534 B12R0.4 CCCCCCNC(=O)CC(=O)N 527a_100000210581_100134613110 [0,2,0,0,0,0|1,0,1]=4 4535 B12R0.4 CCCCCCOC(C)C=C(C)C 34a_100000717055_100000210314 [0,2,0,0,0,0|1,0,1]=4 4536 B12R0.4 CCCCCCSC(C)OC(=O)C 62a_100000210314_100009818208 [0,2,0,0,0,0|1,0,1]=4 4537 B12R0.4 CCCCCCSC(C)OC(=O)C 62a_100009818208_100000210757 [0,2,0,0,0,0|1,0,1]=4 4538 B12R0.4 CCCCCNCC(=O)NC(=O)N 2230a_100000209983_100000182717 [0,2,0,0,0,0|2,0,0]=4 4539 B12R0.4 CCCCCNNC(=O)C=C(C)C 22a_100000694160_100000211388 [0,2,0,0,0,0|2,0,0]=4 4540 B12R0.4 CCCCCNNC(=O)C=C(C)Cl 22a_100000694160_200042562850 [0,2,0,0,0,0|2,0,0]=4 4541 B12R0.4 CCCCCOCC(=O)NC(=O)C 7a_100000210253_100000183797 [0,2,0,0,0,0|1,0,0]=3 4542 B12R0.4 CCCCCOCC(=O)NC(=O)N 7a_100000210253_100000182717 [0,2,0,0,0,0|2,0,0]=4 4543 B12R0.4 CCCCCSCC(=O)NC(=O)C 62a_100000210326_100000183797 [0,2,0,0,0,0|1,0,0]=3 4544 B12R0.4 CCCCCSCC(=O)NC(=O)N 62a_100000210326_100000182717 [0,2,0,0,0,0|2,0,0]=4 4545 B12R0.4 CCCCNCCC(=O)NC(=O)N 2230a_100000102301_100000237605 [0,2,0,0,0,0|2,0,0]=4 4546 B12R0.4 CCCCNCCC(=O)NC(=O)N 7a_106832991798_100000237605 [0,2,0,0,0,0|2,0,0]=4 4547 B12R0.4 CCCCOCCC(=O)C=C(C)C 1458a_100000211388_100000743108 [0,2,0,0,0,0|1,0,0]=3 4548 B12R0.4 CCCCOCCC(=O)C=C(C)Cl 1458a_200042562850_100000743108 [0,2,0,0,0,0|1,0,0]=3 4549 B12R0.4 CCCCOCCC(=O)C=C(C)I 1458a_100025716642_100000743108 [0,2,0,0,0,0|1,0,0]=3 4550 B12R0.4 CCCCOCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000743108 [0,2,0,0,0,0|2,0,0]=4 4551 B12R0.4 CCCCOCCC(=O)CC(=O)N 1458a_100134613110_100000743108 [0,2,0,0,0,0|1,0,1]=4 4552 B12R0.4 CCCCOCCC(=O)NC(=O)N 7a_100000210227_100000237605 [0,2,0,0,0,0|2,0,0]=4 4553 B12R0.4 CCCCSCCC(=O)NC(=O)N 62a_100000210211_100000237605 [0,2,0,0,0,0|2,0,0]=4 4554 B12R0.4 CCCOCCNC(=O)C=C(C)C 1626a_100161115042_100000211388 [0,2,0,0,0,0|2,0,0]=4 4555 B12R0.4 CCCOCCNC(=O)C=C(C)C 240690a_100161115042_100000211388 [0,2,0,0,0,0|2,0,0]=4 4556 B12R0.4 CCCOCCNC(=O)C=C(C)Cl 1626a_100161115042_200042562850 [0,2,0,0,0,0|2,0,0]=4 4557 B12R0.4 CCCOCCNC(=O)C=C(C)Cl 240690a_100161115042_200042562850 [0,2,0,0,0,0|2,0,0]=4 4558 B12R0.4 CCCOCCNC(=O)C=C(C)I 1626a_100161115042_100025716642 [0,2,0,0,0,0|2,0,0]=4 4559 B12R0.4 CCCOCCOC(=O)CC(=O)C 34a_100000210258_100000102702 [0,2,0,0,0,0|1,0,1]=4 4560 B12R0.4 CCCSCCNC(=O)C=C(C)C 11a_100020603323_100000211388 [0,2,0,0,0,0|2,0,0]=4 4561 B12R0.4 CCCSCCNC(=O)C=C(C)C 240690a_100020603323_100000211388 [0,2,0,0,0,0|2,0,0]=4 4562 B12R0.4 CCCSCCNC(=O)C=C(C)Cl 11a_100020603323_200042562850 [0,2,0,0,0,0|2,0,0]=4 4563 B12R0.4 CCCSCCNC(=O)C=C(C)Cl 240690a_100020603323_200042562850 [0,2,0,0,0,0|2,0,0]=4 4564 B12R0.4 CCCSCCNC(=O)C=C(C)I 11a_100020603323_100025716642 [0,2,0,0,0,0|2,0,0]=4 4565 B12R0.4 CCCSCCOC(=O)CC(=O)C 62a_100000102702_100000210303 [0,2,0,0,0,0|1,0,1]=4 4566 B12R0.4 CCCSCCOC(=O)CC(=O)C 62a_100000210303_100000102702 [0,2,0,0,0,0|1,0,1]=4 4567 B12R0.4 CCOCCCNC(=O)C=C(C)C 11a_100000210961_100000211388 [0,2,0,0,0,0|2,0,0]=4 4568 B12R0.4 CCOCCCNC(=O)C=C(C)C 1626a_100000210961_100000211388 [0,2,0,0,0,0|2,0,0]=4 4569 B12R0.4 CCOCCCNC(=O)C=C(C)C 240690a_100000210961_100000211388 [0,2,0,0,0,0|2,0,0]=4 4570 B12R0.4 CCOCCCNC(=O)C=C(C)Cl 11a_100000210961_200042562850 [0,2,0,0,0,0|2,0,0]=4 4571 B12R0.4 CCOCCCNC(=O)C=C(C)Cl 1626a_100000210961_200042562850 [0,2,0,0,0,0|2,0,0]=4 4572 B12R0.4 CCOCCCNC(=O)C=C(C)Cl 240690a_100000210961_200042562850 [0,2,0,0,0,0|2,0,0]=4 4573 B12R0.4 CCOCCCNC(=O)C=C(C)I 11a_100000210961_100025716642 [0,2,0,0,0,0|2,0,0]=4 4574 B12R0.4 CCOCCCNC(=O)C=C(C)I 1626a_100000210961_100025716642 [0,2,0,0,0,0|2,0,0]=4 4575 B12R0.4 CCOCCOCC(=O)NC(=O)C 7a_100000210136_100000183797 [0,2,0,0,0,0|2,0,0]=4 4576 B12R0.4 CCOCCSCC(=O)NC(=O)C 62a_100000210147_100000183797 [0,2,0,0,0,0|2,0,0]=4 4577 B12R0.4 CCSCCOCC(=O)NC(=O)C 7a_100000212035_100000183797 [0,2,0,0,0,0|2,0,0]=4 4578 B12R0.4 CCSCCSCC(=O)NC(=O)C 62a_100000757381_100000183797 [0,2,0,0,0,0|2,0,0]=4 4579 B12R0.4 COCCCCCC(=O)CC(=O)N 1458a_100011935119_100000187820 [0,2,0,0,0,0|1,0,1]=4 4580 B12R0.4 COCCCCCC(=O)CC(=O)[O-] 1458a_100011935119_100020667443 [0,2,0,0,0,0|1,0,1]=4 4581 B12R0.4 COCCCSCC(=O)NC(=O)C 62a_100000709357_100000183797 [0,2,0,0,0,0|2,0,0]=4 4582 B12R0.4 COCCOCCC(=O)C=C(C)C 1458a_100000211388_100000695917 [0,2,0,0,0,0|2,0,0]=4 4583 B12R0.4 COCCOCCC(=O)C=C(C)Cl 1458a_200042562850_100000695917 [0,2,0,0,0,0|2,0,0]=4 4584 B12R0.4 COCCOCCC(=O)C=C(C)I 1458a_100025716642_100000695917 [0,2,0,0,0,0|2,0,0]=4 4585 B12R0.4 CSCCCOCC(=O)NC(=O)C 7a_100000690336_100000183797 [0,2,0,0,0,0|2,0,0]=4 4586 B12R0.4 NC(=O)CC(=O)CCCCCCF 1458a_100134613110_100015922095 [0,2,0,0,0,0|1,0,1]=4 4587 B12R0.4 NC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000187820 [0,2,0,0,0,0|1,0,1]=4 4588 B12R0.4 NC(=O)CC(=O)CCCCCCO 1458a_100134613110_100000766143 [0,2,0,0,0,0|1,0,1]=4 4589 B12R0.4 O=C(C=C(Cl)Cl)CCCCCCF 1458a_100000137448_100015922095 [0,2,0,0,0,0|2,0,0]=4 4590 B12R0.4 O=C(C=C(Cl)Cl)CCCCCCO 1458a_100000137448_100000766143 [0,2,0,0,0,0|2,0,0]=4 4591 B12R0.4 O=C([O-])CC(=O)CCCCCCO 1458a_100011996774_100020667443 [0,2,0,0,0,0|1,0,1]=4 4592 B12R0.46 C=C(C)C(=O)C(C)CCCCCC 1458a_100000185857_100011215978 [0,2,0,0,0,0|1,0,1]=4 4593 B12R0.46 C=C(C)C(=O)N(C)CCCCCC 11a_106256046315_100000185857 [0,2,0,0,0,0|2,0,0]=4 4594 B12R0.46 C=C(C)C(=O)N(C)CCCCCC 1626a_106256046315_100000185857 [0,2,0,0,0,0|2,0,0]=4 4595 B12R0.46 CC(=O)C(C)C(=O)CCCCCO 1458a_100102619762_100000179758 [0,2,0,0,0,0|1,0,1]=4 4596 B12R0.46 CCCCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210757 [0,2,0,0,0,0|2,0,0]=4 4597 B12R0.46 CCCCCCC(=O)C(C)C(=O)C 1458a_100102632555_100000179758 [0,2,0,0,0,0|0,0,1]=3 4598 B12R0.46 CCCCCCC(=O)C(C)C(=O)N 1458a_100102632555_100000702099 [0,2,0,0,0,0|1,0,1]=4 4599 B12R0.46 CCCCCCC(=O)C(F)C(=O)N 1458a_100102632555_100009813875 [0,2,0,0,0,0|1,0,1]=4 4600 B12R0.46 CCCCCCC(=O)C(F)C(=O)[O-] 1458a_100102632555_100020610796 [0,2,0,0,0,0|1,0,1]=4 4601 B12R0.46 CCCCCCN(C)C(=O)C(=O)N 240690a_106256046315_100011215815 [0,2,0,0,0,0|2,0,0]=4 4602 B12R0.46 CCCCCCN(C)C(C)C(=O)C 2230a_106256046315_100009814033 [0,2,0,0,0,0|1,0,1]=4 4603 B12R0.46 CCCCCCN(C)C(C)C(=O)C 269982a_106256046315_100009814033 [0,2,0,0,0,0|1,0,1]=4 4604 B12R0.46 CCCCCNC(=O)C(C)C(=O)C 1458a_100000070787_100000735910 [0,2,0,0,0,0|1,0,1]=4 4605 B12R0.46 CCCCOCC(=O)C(C)C(=O)C 1458a_100000757543_100000179758 [0,2,0,0,0,0|1,0,1]=4 4606 B12R0.46 CCCCSCC(=O)C(C)C(=O)C 1458a_100000191162_100000179758 [0,2,0,0,0,0|1,0,1]=4 4607 B12R0.113 CCC(=CC(=O)CCCCCF)C 1458a_100020758463_100000729378 [0,2,0,0,0,0|2,0,0]=4 4608 B12R0.113 CCC(=CC(=O)CCCCCO)C 1458a_100020758463_100000746330 [0,2,0,0,0,0|2,0,0]=4 4609 B12R0.113 CCC(=CC(=O)CCCCOC)C 1458a_100020758463_100000755781 [0,2,0,0,0,0|2,0,0]=4 4610 B12R0.113 CCC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747405 [0,2,0,0,0,0|1,0,1]=4 4611 B12R0.113 CCCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210757 [0,2,0,0,0,0|1,0,0]=3 4612 B12R0.113 CCCCCCC(=O)CC(=O)CC 1458a_100102632555_100000747405 [0,2,0,0,0,0|0,0,1]=3 4613 B12R0.113 CCCCCCC(=O)CC(=O)NC 1458a_100102632555_100000183359 [0,2,0,0,0,0|0,0,1]=3 4614 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210757 [0,2,0,0,0,0|0,0,1]=3 4615 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100102632555_100000747449 [0,2,0,0,0,0|0,0,1]=3 4616 B12R0.113 CCCCCCC(C)NC(=O)CC 11a_100000210919_100000210414 [0,2,0,0,0,0|1,0,1]=4 4617 B12R0.113 CCCCCCC(C)NC(=O)CC 1626a_100000210919_100000210414 [0,2,0,0,0,0|1,0,1]=4 4618 B12R0.113 CCCCCCC(C)NC(=O)CC 240690a_100000210919_100000210414 [0,2,0,0,0,0|1,0,1]=4 4619 B12R0.113 CCCCCCC(C)NC(=O)CC 527a_100000210919_100000210414 [0,2,0,0,0,0|1,0,1]=4 4620 B12R0.113 CCCCCCC(C)NC(=O)CO 240690a_100000210919_100000210174 [0,2,0,0,0,0|1,0,1]=4 4621 B12R0.113 CCCCCCC(C)NC(=O)CO 527a_100000210919_100000210174 [0,2,0,0,0,0|1,0,1]=4 4622 B12R0.113 CCCCCCC(C)NC(=O)NC 2708a_100000210919_106832991635 [0,2,0,0,0,0|1,0,1]=4 4623 B12R0.113 CCCCCCC(C)NC(=O)NC 2708a_100102657272_100000210919 [0,2,0,0,0,0|1,0,1]=4 4624 B12R0.113 CCCCCCC(C)NC(=O)NC 273464a_100000210919_100102657272 [0,2,0,0,0,0|1,0,1]=4 4625 B12R0.113 CCCCCCC(C)NC(=O)NC 273464a_100102657272_100000210919 [0,2,0,0,0,0|1,0,1]=4 4626 B12R0.113 CCCCCCC(C)NC(=O)NC 512a_100000210919_100102657272 [0,2,0,0,0,0|1,0,1]=4 4627 B12R0.113 CCCCCCC(C)NC(=O)NC 512a_106832991638_100000210919 [0,2,0,0,0,0|1,0,1]=4 4628 B12R0.113 CCCCCCN(C)CC(=O)CC 269982a_106256046315_100000747405 [0,2,0,0,0,0|1,0,1]=4 4629 B12R0.113 CCCCCCN(C)CC(=O)NC 2230a_100000189611_100000210314 [0,2,0,0,0,0|1,0,1]=4 4630 B12R0.113 CCCCCCN(C)CC(=O)NC 2230a_106256046315_100000183359 [0,2,0,0,0,0|1,0,1]=4 4631 B12R0.113 CCCCCCN(C)CC(=O)NC 269982a_106256046315_100000183359 [0,2,0,0,0,0|1,0,1]=4 4632 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210314 [0,2,0,0,0,0|1,0,1]=4 4633 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_106256046315_100000747449 [0,2,0,0,0,0|1,0,1]=4 4634 B12R0.113 CCCCCCN(C)CC(=O)OC 269982a_106256046315_100000747449 [0,2,0,0,0,0|1,0,1]=4 4635 B12R0.113 CCCCCNC(=O)C=C(C)CC 11a_100000209983_100020758463 [0,2,0,0,0,0|2,0,0]=4 4636 B12R0.113 CCCCCNC(=O)C=C(C)CC 1626a_100000209983_100020758463 [0,2,0,0,0,0|2,0,0]=4 4637 B12R0.113 CCCCCNC(=O)C=C(C)CC 240690a_100000209983_100020758463 [0,2,0,0,0,0|2,0,0]=4 4638 B12R0.113 CCCCCNC(=O)CC(=O)CC 1458a_100000210414_100000230301 [0,2,0,0,0,0|1,0,1]=4 4639 B12R0.113 CCCCCNC(=O)CC(=O)CO 1458a_100000210174_100000230301 [0,2,0,0,0,0|1,0,1]=4 4640 B12R0.113 CCCCCNC(=O)CC(=O)OC 240690a_100000209983_100000211351 [0,2,0,0,0,0|1,0,1]=4 4641 B12R0.113 CCCCOCC(=O)C=C(C)CC 1458a_100020758463_100011995733 [0,2,0,0,0,0|2,0,0]=4 4642 B12R0.113 CCCCOCC(=O)CC(=O)CC 1458a_100000757543_100000747405 [0,2,0,0,0,0|1,0,1]=4 4643 B12R0.113 CCCCOCC(=O)CC(=O)NC 1458a_100000757543_100000183359 [0,2,0,0,0,0|1,0,1]=4 4644 B12R0.113 CCCCOCC(=O)CC(=O)OC 1458a_100000211351_100011995733 [0,2,0,0,0,0|1,0,1]=4 4645 B12R0.113 CCCCOCC(=O)CC(=O)OC 1458a_100000757543_100000747449 [0,2,0,0,0,0|1,0,1]=4 4646 B12R0.113 CCCCSCC(=O)CC(=O)CC 1458a_100000191162_100000747405 [0,2,0,0,0,0|1,0,1]=4 4647 B12R0.113 CCCCSCC(=O)CC(=O)NC 1458a_100000191162_100000183359 [0,2,0,0,0,0|1,0,1]=4 4648 B12R0.113 CCCCSCC(=O)CC(=O)OC 1458a_100000191162_100000747449 [0,2,0,0,0,0|1,0,1]=4 4649 B12R0.113 CCCCSCC(=O)CC(=O)OC 62a_100000210211_100000210525 [0,2,0,0,0,0|1,0,1]=4 4650 B12R0.113 CCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210210 [0,2,0,0,0,0|1,0,1]=4 4651 B12R0.113 CCCCSCC(=O)NC(=O)OC 62a_100000210211_100000010850 [0,2,0,0,0,0|2,0,0]=4 4652 B12R0.113 CCCOCCC(=O)C=C(C)CC 1458a_100020758463_100011215938 [0,2,0,0,0,0|2,0,0]=4 4653 B12R0.113 CCCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215938 [0,2,0,0,0,0|1,0,1]=4 4654 B12R0.113 CCOCCCC(=O)C=C(C)CC 1458a_100020758463_100012232248 [0,2,0,0,0,0|2,0,0]=4 4655 B12R0.113 CCOCCCC(=O)CC(=O)OC 1458a_100000211351_100012232248 [0,2,0,0,0,0|1,0,1]=4 4656 B12R0.113 CNC(=O)CC(=O)CCCCCO 1458a_100102619762_100000183359 [0,2,0,0,0,0|1,0,1]=4 4657 B12R0.113 COC(=O)CC(=O)CCCCCF 1458a_100000211351_100000729378 [0,2,0,0,0,0|1,0,1]=4 4658 B12R0.113 COC(=O)CC(=O)CCCCCO 1458a_100000211351_100000746330 [0,2,0,0,0,0|1,0,1]=4 4659 B12R0.113 COC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747449 [0,2,0,0,0,0|1,0,1]=4 4660 B12R0.113 COCCCCC(=O)CC(=O)OC 1458a_100000211351_100000755781 [0,2,0,0,0,0|1,0,1]=4 4661 B12R0.125 CCCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210757 [0,2,0,0,0,0|1,0,1]=4 4662 B12R0.125 CCCCCCC(=O)NS(=O)(=O)C 2740a_100000171171_100102632555 [0,2,0,0,0,0|2,0,0]=4 4663 B12R0.141 C=C(C)CC(=O)C(C)CCCCC 1458a_100011215998_100000748629 [0,2,0,0,0,0|1,0,1]=4 4664 B12R0.141 CCCCCC(C)C(=O)C=C(C)C 1458a_100000211388_200011218191 [0,2,0,0,0,0|1,0,0]=3 4665 B12R0.141 CCCCCC(C)C(=O)C=C(C)Cl 1458a_200042562850_200011218191 [0,2,0,0,0,0|1,0,0]=3 4666 B12R0.141 CCCCCC(C)C(=O)C=C(C)I 1458a_100025716642_200011218191 [0,2,0,0,0,0|1,0,0]=3 4667 B12R0.141 CCCCCC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_200011218191 [0,2,0,0,0,0|2,0,0]=4 4668 B12R0.141 CCCCCC(C)C(=O)CC(=O)N 1458a_100011215998_100000187820 [0,2,0,0,0,0|1,0,1]=4 4669 B12R0.141 CCCCCC(C)C(=O)CC(=O)N 1458a_100134613110_200011218191 [0,2,0,0,0,0|1,0,1]=4 4670 B12R0.141 CCCCCC(C)C(=O)CC(=O)[O-] 1458a_100011215998_100020667443 [0,2,0,0,0,0|1,0,1]=4 4671 B12R0.141 CCCCCN(C)C(=O)C=C(C)C 11a_100000223495_100000211388 [0,2,0,0,0,0|2,0,0]=4 4672 B12R0.141 CCCCCN(C)C(=O)C=C(C)C 1626a_100000223495_100000211388 [0,2,0,0,0,0|2,0,0]=4 4673 B12R0.141 CCCCCN(C)C(=O)C=C(C)C 240690a_100000223495_100000211388 [0,2,0,0,0,0|2,0,0]=4 4674 B12R0.141 CCCCCN(C)C(=O)C=C(C)Cl 11a_100000223495_200042562850 [0,2,0,0,0,0|2,0,0]=4 4675 B12R0.141 CCCCCN(C)C(=O)C=C(C)Cl 1626a_100000223495_200042562850 [0,2,0,0,0,0|2,0,0]=4 4676 B12R0.141 CCCCCN(C)C(=O)C=C(C)Cl 240690a_100000223495_200042562850 [0,2,0,0,0,0|2,0,0]=4 4677 B12R0.141 CCCCCN(C)C(=O)C=C(C)I 11a_100000223495_100025716642 [0,2,0,0,0,0|2,0,0]=4 4678 B12R0.141 CCCCCN(C)C(=O)C=C(C)I 1626a_100000223495_100025716642 [0,2,0,0,0,0|2,0,0]=4 4679 B12R0.241 CCC(C)CCNC(=O)C=C(C)C 11a_100020591266_100000211388 [0,2,0,0,0,0|2,0,0]=4 4680 B12R0.241 CCC(C)CCNC(=O)C=C(C)C 1626a_100020591266_100000211388 [0,2,0,0,0,0|2,0,0]=4 4681 B12R0.241 CCC(C)CCNC(=O)C=C(C)C 240690a_100020591266_100000211388 [0,2,0,0,0,0|2,0,0]=4 4682 B12R0.241 CCC(C)CCNC(=O)C=C(C)Cl 11a_100020591266_200042562850 [0,2,0,0,0,0|2,0,0]=4 4683 B12R0.241 CCC(C)CCNC(=O)C=C(C)Cl 1626a_100020591266_200042562850 [0,2,0,0,0,0|2,0,0]=4 4684 B12R0.241 CCC(C)CCNC(=O)C=C(C)Cl 240690a_100020591266_200042562850 [0,2,0,0,0,0|2,0,0]=4 4685 B12R0.241 CCC(C)CCNC(=O)C=C(C)I 11a_100020591266_100025716642 [0,2,0,0,0,0|2,0,0]=4 4686 B12R0.241 CCC(C)CCNC(=O)C=C(C)I 1626a_100020591266_100025716642 [0,2,0,0,0,0|2,0,0]=4 4687 B12R0.241 CCC(C)CSCC(=O)NC(=O)C 62a_100000748023_100000183797 [0,2,0,0,0,0|2,0,0]=4 4688 B12R0.241 CCC(O)CSCC(=O)NC(=O)C 62a_100011218378_100000183797 [0,2,0,0,0,0|2,0,0]=4 4689 B12R0.241 CCN(C)CCCC(=O)C=C(C)C 1458a_100000211388_100015186262 [0,2,0,0,0,0|2,0,0]=4 4690 B12R0.241 CCN(C)CCCC(=O)C=C(C)Cl 1458a_200042562850_100015186262 [0,2,0,0,0,0|2,0,0]=4 4691 B12R0.241 CCN(C)CCCC(=O)C=C(C)I 1458a_100025716642_100015186262 [0,2,0,0,0,0|2,0,0]=4 4692 B12R0.241 CC[C@H](C)COCC(=O)NC(=O)C 7a_100009816381_100000183797 [0,2,0,0,0,0|2,0,0]=4 4693 B12R0.241 CC[C@H](C)CSCC(=O)NC(=O)C 62a_100009816398_100000183797 [0,2,0,0,0,0|2,0,0]=4 4694 B12R0.270 C=C(C)CC(=O)CCCCC(C)C 1458a_100011933920_100000748629 [0,2,0,0,0,0|1,0,1]=4 4695 B12R0.270 CC(=CC(=O)CCCCC(C)C)C 1458a_100000211388_100011216152 [0,2,0,0,0,0|1,0,0]=3 4696 B12R0.270 CC(=CC(=O)CCCCC(C)C)Cl 1458a_200042562850_100011216152 [0,2,0,0,0,0|1,0,0]=3 4697 B12R0.270 CC(=CC(=O)CCCCC(C)C)I 1458a_100025716642_100011216152 [0,2,0,0,0,0|1,0,0]=3 4698 B12R0.270 CC(=CC(=O)NCCCC(C)C)C 11a_200000737386_100000211388 [0,2,0,0,0,0|2,0,0]=4 4699 B12R0.270 CC(=CC(=O)NCCCC(C)C)C 1626a_200000737386_100000211388 [0,2,0,0,0,0|2,0,0]=4 4700 B12R0.270 CC(=CC(=O)NCCCC(C)C)C 240690a_200000737386_100000211388 [0,2,0,0,0,0|2,0,0]=4 4701 B12R0.270 CC(=CC(=O)NCCCC(C)C)Cl 11a_200000737386_200042562850 [0,2,0,0,0,0|2,0,0]=4 4702 B12R0.270 CC(=CC(=O)NCCCC(C)C)Cl 1626a_200000737386_200042562850 [0,2,0,0,0,0|2,0,0]=4 4703 B12R0.270 CC(=CC(=O)NCCCC(C)C)Cl 240690a_200000737386_200042562850 [0,2,0,0,0,0|2,0,0]=4 4704 B12R0.270 CC(=CC(=O)NCCCC(C)C)I 11a_200000737386_100025716642 [0,2,0,0,0,0|2,0,0]=4 4705 B12R0.270 CC(=CC(=O)NCCCC(C)C)I 1626a_200000737386_100025716642 [0,2,0,0,0,0|2,0,0]=4 4706 B12R0.270 CC(=O)CCCCC(=O)C=C(C)C 1458a_100000211388_100000735457 [0,2,0,0,0,0|1,0,1]=4 4707 B12R0.270 CC(=O)CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000735457 [0,2,0,0,0,0|1,0,1]=4 4708 B12R0.270 CC(=O)CCCCC(=O)C=C(C)I 1458a_100025716642_100000735457 [0,2,0,0,0,0|1,0,1]=4 4709 B12R0.270 CC(=O)NC(=O)COCCC(C)C 7a_100000210254_100000183797 [0,2,0,0,0,0|2,0,0]=4 4710 B12R0.270 CC(=O)NC(=O)CSCCC(C)C 62a_100000210312_100000183797 [0,2,0,0,0,0|2,0,0]=4 4711 B12R0.270 CC(=O)NC(=O)CSCCC(C)O 62a_100012276601_100000183797 [0,2,0,0,0,0|2,0,0]=4 4712 B12R0.270 CC(C)CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100011216152 [0,2,0,0,0,0|2,0,0]=4 4713 B12R0.270 CC(C)CCCCC(=O)CC(=O)N 1458a_100011933920_100000187820 [0,2,0,0,0,0|1,0,1]=4 4714 B12R0.270 CC(C)CCCCC(=O)CC(=O)N 1458a_100134613110_100011216152 [0,2,0,0,0,0|1,0,1]=4 4715 B12R0.270 CC(C)CCCCC(=O)CC(=O)[O-] 1458a_100011933920_100020667443 [0,2,0,0,0,0|1,0,1]=4 4716 B12R0.272 CCCC(C)OCC(=O)NC(=O)C 7a_100000764384_100000183797 [0,2,0,0,0,0|2,0,0]=4 4717 B12R0.272 CCCC(C)SCC(=O)NC(=O)C 62a_100000766640_100000183797 [0,2,0,0,0,0|2,0,0]=4 4718 B12R0.42 C=C(C)C(=O)CCCCCC(C)C 1458a_100000185857_100000210682 [0,2,0,0,0,0|1,0,1]=4 4719 B12R0.42 CC(=O)C(=O)CNCCCC(C)C 34a_200000737386_100011261029 [0,2,0,0,0,0|1,0,1]=4 4720 B12R0.42 CC(=O)C(=O)COCCCC(C)C 34a_100000210774_100011261029 [0,2,0,0,0,0|1,0,1]=4 4721 B12R0.42 CC(=O)C(=O)CSCCCC(C)C 62a_100011214892_100011261029 [0,2,0,0,0,0|1,0,1]=4 4722 B12R0.42 CC(=O)C(=O)CSCCCC(C)C 62a_100011261029_100011214892 [0,2,0,0,0,0|1,0,1]=4 4723 B12R0.42 CC(=O)C(=O)CSCCCC(C)O 62a_100011261029_200000718107 [0,2,0,0,0,0|1,0,1]=4 4724 B12R0.42 CC(=O)C(=O)CSCCCC(C)O 62a_200000718107_100011261029 [0,2,0,0,0,0|1,0,1]=4 4725 B12R0.42 CC(=O)C(C)OCCCCC(C)C 34a_100000212229_100011216152 [0,2,0,0,0,0|1,0,1]=4 4726 B12R0.42 CC(=O)C(C)OCCCCC(C)C 7a_100011214890_100000179758 [0,2,0,0,0,0|1,0,1]=4 4727 B12R0.42 CC(=O)C(C)SCCCCC(C)C 62a_100009814033_100011216152 [0,2,0,0,0,0|1,0,1]=4 4728 B12R0.42 CC(=O)C(C)SCCCCC(C)C 62a_100011216152_100009814033 [0,2,0,0,0,0|1,0,1]=4 4729 B12R0.44 CC(=O)CCC(C)CCCC(C)C 1458a_100000070787_100009816328 [0,2,0,0,0,0|0,0,2]=4 4730 B12R0.184 C=C(C)CCOC/C=C/C(=O)OC 34a_100000764851_100000742655 [0,2,0,0,0,0|1,0,1]=4 4731 B12R0.184 C=C(C)CCSC/C=C/C(=O)OC 62a_100000730704_100000742655 [0,2,0,0,0,0|1,0,1]=4 4732 B12R0.184 C=C(C)CCSC/C=C/C(=O)OC 62a_100000742655_100000730704 [0,2,0,0,0,0|1,0,1]=4 4733 B12R0.184 CC(C)CCCCCCC(=O)CF 1458a_100000040743_100015361967 [0,2,0,0,0,0|0,0,2]=4 4734 B12R0.184 CC(C)CCCCCNC(=O)CO 240690a_100011290863_100000210174 [0,2,0,0,0,0|1,0,1]=4 4735 B12R0.184 CC(C)CCCCCNC(=O)CO 527a_100011290863_100000210174 [0,2,0,0,0,0|1,0,1]=4 4736 B12R0.184 CCC(=O)CCCC/C=C/C(C)C 1458a_200016995844_100000210202 [0,2,0,0,0,0|1,0,1]=4 4737 B12R0.184 CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210202 [0,2,0,0,0,0|0,0,2]=4 4738 B12R0.184 CCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210202 [0,2,0,0,0,0|1,0,1]=4 4739 B12R0.184 CCC(=O)CCCCCOC(=O)C 1458a_100000210414_100000033007 [0,2,0,0,0,0|1,0,1]=4 4740 B12R0.184 CCC(=O)COCCCCC(C)C 34a_100000725409_100011216152 [0,2,0,0,0,0|1,0,1]=4 4741 B12R0.184 CCC(=O)COCCCCC(C)C 7a_100011214890_100000747405 [0,2,0,0,0,0|1,0,1]=4 4742 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100000747405_100011216152 [0,2,0,0,0,0|1,0,1]=4 4743 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100011216152_100000747405 [0,2,0,0,0,0|1,0,1]=4 4744 B12R0.184 CCC(=O)NCCCCCC(C)C 1626a_100011290863_100000210414 [0,2,0,0,0,0|1,0,1]=4 4745 B12R0.184 CCC(=O)NCCCCCC(C)C 240690a_100011290863_100000210414 [0,2,0,0,0,0|1,0,1]=4 4746 B12R0.184 CCC(=O)NCCCCCC(C)C 527a_100011290863_100000210414 [0,2,0,0,0,0|1,0,1]=4 4747 B12R0.184 CCC(C)CCCOCC=C(C)C 7a_100011216074_100000761012 [0,2,0,0,0,0|1,0,1]=4 4748 B12R0.184 CCC(C)CCCOCCC(=O)C 7a_100011216074_100000053229 [0,2,0,0,0,0|0,0,2]=4 4749 B12R0.184 CCC(C)CCNCCC=C(C)C 2230a_100020591266_100011217483 [0,2,0,0,0,0|1,0,1]=4 4750 B12R0.184 CCC(C)CCNCCNC(=O)C 2230a_100020591266_100000189650 [0,2,0,0,0,0|1,0,1]=4 4751 B12R0.184 CCC(C)CCOCCC=C(C)C 7a_100011215188_100011217483 [0,2,0,0,0,0|1,0,1]=4 4752 B12R0.184 CCC(C)CCOCCCC(=O)C 7a_100011215188_100011215641 [0,2,0,0,0,0|0,0,2]=4 4753 B12R0.184 CCC(C)CCOCCNC(=O)C 7a_100011215188_100000189650 [0,2,0,0,0,0|1,0,1]=4 4754 B12R0.184 CCC(C)CCOCCOC(=O)C 7a_100011215188_100009814007 [0,2,0,0,0,0|1,0,1]=4 4755 B12R0.184 CCC(C)CNCCCNC(=O)C 270004a_100000736810_100000243153 [0,2,0,0,0,0|1,0,1]=4 4756 B12R0.184 CCC(C)CNCCCNC(=O)C 34a_100000736810_100000748023 [0,2,0,0,0,0|1,0,1]=4 4757 B12R0.184 CCC(C)CNCCCSC(=O)C 2230a_100020588543_100000038929 [0,2,0,0,0,0|1,0,1]=4 4758 B12R0.184 CCC(C)COCCCNC(=O)C 34a_100000752032_100000748023 [0,2,0,0,0,0|1,0,1]=4 4759 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000735457_100000748023 [0,2,0,0,0,0|0,0,2]=4 4760 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000748023_100000735457 [0,2,0,0,0,0|0,0,2]=4 4761 B12R0.184 CCC(C)CSCCCOC(=O)C 62a_100000042594_100000748023 [0,2,0,0,0,0|1,0,1]=4 4762 B12R0.184 CCC(C)CSCCCOC(=O)C 62a_100000748023_100000042594 [0,2,0,0,0,0|1,0,1]=4 4763 B12R0.184 CCC(C)CSCCCSC(=O)C 62a_100000038929_100000748023 [0,2,0,0,0,0|1,0,1]=4 4764 B12R0.184 CCC(C)CSCCCSC(=O)C 62a_100000748023_100000038929 [0,2,0,0,0,0|1,0,1]=4 4765 B12R0.184 CCC(C)NCCCCNC(=O)C 2230a_200011368371_100000758301 [0,2,0,0,0,0|1,0,1]=4 4766 B12R0.184 CCC(C)NCCCCNC(=O)C 34a_200011368371_100011215416 [0,2,0,0,0,0|1,0,1]=4 4767 B12R0.184 CCC(C)NCCCCSC(=O)C 2230a_100000209981_200010402107 [0,2,0,0,0,0|1,0,1]=4 4768 B12R0.184 CCC(C)OCCCCOC(=O)C 34a_100000073216_100011215416 [0,2,0,0,0,0|1,0,1]=4 4769 B12R0.184 CCC(C)OCCCCOC(=O)C 7a_100000073216_100000758301 [0,2,0,0,0,0|1,0,1]=4 4770 B12R0.184 CCC(C)OCCCCOC(=O)C 7a_100000210228_100000033659 [0,2,0,0,0,0|1,0,1]=4 4771 B12R0.184 CCC(C)OCCCCSC(=O)C 7a_100000210228_200010402107 [0,2,0,0,0,0|1,0,1]=4 4772 B12R0.184 CCC(C)SCCCCOC(=O)C 62a_100000033659_100000758301 [0,2,0,0,0,0|1,0,1]=4 4773 B12R0.184 CCC(C)SCCCCOC(=O)C 62a_100000758301_100000033659 [0,2,0,0,0,0|1,0,1]=4 4774 B12R0.184 CCC(C)SCCCCSC(=O)C 62a_100000758301_200010402107 [0,2,0,0,0,0|1,0,1]=4 4775 B12R0.184 CCC(C)SCCCCSC(=O)C 62a_200010402107_100000758301 [0,2,0,0,0,0|1,0,1]=4 4776 B12R0.184 CCC(O)CNCCCNC(=O)C 34a_100000736810_100011218378 [0,2,0,0,0,0|1,0,1]=4 4777 B12R0.184 CCC(O)CNCCCSC(=O)C 2230a_100011218483_100000038929 [0,2,0,0,0,0|1,0,1]=4 4778 B12R0.184 CCC(O)COCCCNC(=O)C 34a_100000752032_100011218378 [0,2,0,0,0,0|1,0,1]=4 4779 B12R0.184 CCC(O)CSCCCCC(=O)C 62a_100000735457_100011218378 [0,2,0,0,0,0|0,0,2]=4 4780 B12R0.184 CCC(O)CSCCCCC(=O)C 62a_100011218378_100000735457 [0,2,0,0,0,0|0,0,2]=4 4781 B12R0.184 CCC(O)CSCCCOC(=O)C 62a_100000042594_100011218378 [0,2,0,0,0,0|1,0,1]=4 4782 B12R0.184 CCC(O)CSCCCOC(=O)C 62a_100011218378_100000042594 [0,2,0,0,0,0|1,0,1]=4 4783 B12R0.184 CCC(O)CSCCCSC(=O)C 62a_100000038929_100011218378 [0,2,0,0,0,0|1,0,1]=4 4784 B12R0.184 CCC(O)CSCCCSC(=O)C 62a_100011218378_100000038929 [0,2,0,0,0,0|1,0,1]=4 4785 B12R0.184 CCN(C)CCCCCOC(=O)C 2230a_100000225621_100009813381 [0,2,0,0,0,0|1,0,1]=4 4786 B12R0.184 CCN(C)CCCCCOC(=O)C 269982a_100000225621_100000033007 [0,2,0,0,0,0|1,0,1]=4 4787 B12R0.184 CC[C@H](C)CNCCCNC(=O)C 34a_100000736810_100009816398 [0,2,0,0,0,0|1,0,1]=4 4788 B12R0.184 CC[C@H](C)COCCCCC(=O)C 7a_100009816381_100000735457 [0,2,0,0,0,0|0,0,2]=4 4789 B12R0.184 CC[C@H](C)COCCCNC(=O)C 34a_100000752032_100009816398 [0,2,0,0,0,0|1,0,1]=4 4790 B12R0.184 CC[C@H](C)COCCCOC(=O)C 7a_100009816381_100000042594 [0,2,0,0,0,0|1,0,1]=4 4791 B12R0.184 CC[C@H](C)COCCCSC(=O)C 7a_100009816381_100000038929 [0,2,0,0,0,0|1,0,1]=4 4792 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100000735457_100009816398 [0,2,0,0,0,0|0,0,2]=4 4793 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100009816398_100000735457 [0,2,0,0,0,0|0,0,2]=4 4794 B12R0.184 CC[C@H](C)CSCCCOC(=O)C 62a_100000042594_100009816398 [0,2,0,0,0,0|1,0,1]=4 4795 B12R0.184 CC[C@H](C)CSCCCOC(=O)C 62a_100009816398_100000042594 [0,2,0,0,0,0|1,0,1]=4 4796 B12R0.184 CC[C@H](C)CSCCCSC(=O)C 62a_100000038929_100009816398 [0,2,0,0,0,0|1,0,1]=4 4797 B12R0.184 CC[C@H](C)CSCCCSC(=O)C 62a_100009816398_100000038929 [0,2,0,0,0,0|1,0,1]=4 4798 B12R0.184 CNC(=O)CCCCCCC(C)C 11a_106832991635_100000040743 [0,2,0,0,0,0|0,0,2]=4 4799 B12R0.184 CNC(=O)CCCCCCC(C)C 1626a_100102657272_100000040743 [0,2,0,0,0,0|0,0,2]=4 4800 B12R0.184 CNC(=O)CCCCCCC(C)C 240690a_100102657272_100000040743 [0,2,0,0,0,0|0,0,2]=4 4801 B12R0.184 CNC(=O)CCCCCCC(C)C 527a_100102657272_100000040743 [0,2,0,0,0,0|0,0,2]=4 4802 B12R0.184 CNC(=O)CNCCCCC(C)C 2230a_100000693194_100011216152 [0,2,0,0,0,0|1,0,1]=4 4803 B12R0.184 CNC(=O)COCCCCC(C)C 34a_100000750040_100011216152 [0,2,0,0,0,0|1,0,1]=4 4804 B12R0.184 CNC(=O)COCCCCC(C)C 34a_100011214890_100000183359 [0,2,0,0,0,0|1,0,1]=4 4805 B12R0.184 CNC(=O)COCCCCC(C)C 7a_100011214890_100000183359 [0,2,0,0,0,0|1,0,1]=4 4806 B12R0.184 CNC(=O)CSCCCCC(C)C 62a_100000183359_100011216152 [0,2,0,0,0,0|1,0,1]=4 4807 B12R0.184 CNC(=O)CSCCCCC(C)C 62a_100011216152_100000183359 [0,2,0,0,0,0|1,0,1]=4 4808 B12R0.184 CNC(=O)NCCCCCC(C)C 2708a_100011290863_106832991635 [0,2,0,0,0,0|1,0,1]=4 4809 B12R0.184 CNC(=O)NCCCCCC(C)C 2708a_100102657272_100011290863 [0,2,0,0,0,0|1,0,1]=4 4810 B12R0.184 CNC(=O)NCCCCCC(C)C 273464a_100011290863_100102657272 [0,2,0,0,0,0|1,0,1]=4 4811 B12R0.184 CNC(=O)NCCCCCC(C)C 273464a_100102657272_100011290863 [0,2,0,0,0,0|1,0,1]=4 4812 B12R0.184 CNC(=O)NCCCCCC(C)C 512a_100011290863_100102657272 [0,2,0,0,0,0|1,0,1]=4 4813 B12R0.184 CNC(=O)NCCCCCC(C)C 512a_106832991638_100011290863 [0,2,0,0,0,0|1,0,1]=4 4814 B12R0.184 COC(=O)/C=C/CNCCC(C)O 2230a_200000755665_100000742655 [0,2,0,0,0,0|1,0,0]=3 4815 B12R0.184 COC(=O)/C=C/COCCC(=O)C 34a_100000759926_100000742655 [0,2,0,0,0,0|1,0,1]=4 4816 B12R0.184 COC(=O)/C=C/COCCC(=O)C 7a_100000759926_100000742655 [0,2,0,0,0,0|1,0,1]=4 4817 B12R0.184 COC(=O)/C=C/COCCC(C)Br 34a_100009893172_100000742655 [0,2,0,0,0,0|1,0,0]=3 4818 B12R0.184 COC(=O)/C=C/COCCC(C)C 34a_100000210254_100000742655 [0,2,0,0,0,0|1,0,0]=3 4819 B12R0.184 COC(=O)/C=C/COCCC(C)C 7a_100000210254_100000742655 [0,2,0,0,0,0|1,0,0]=3 4820 B12R0.184 COC(=O)/C=C/COCCC(F)F 34a_100103093639_100000742655 [0,2,0,0,0,0|2,0,0]=4 4821 B12R0.184 COC(=O)/C=C/COCC[C@@H](C)N 34a_100000706166_100000742655 [0,2,0,0,0,0|1,0,0]=3 4822 B12R0.184 COC(=O)/C=C/CSCCC(=O)C 62a_100000053229_100000742655 [0,2,0,0,0,0|1,0,1]=4 4823 B12R0.184 COC(=O)/C=C/CSCCC(=O)C 62a_100000742655_100000053229 [0,2,0,0,0,0|1,0,1]=4 4824 B12R0.184 COC(=O)/C=C/CSCCC(C)C 62a_100000210312_100000742655 [0,2,0,0,0,0|1,0,0]=3 4825 B12R0.184 COC(=O)/C=C/CSCCC(C)C 62a_100000742655_100000210312 [0,2,0,0,0,0|1,0,0]=3 4826 B12R0.184 COC(=O)/C=C/CSCCC(C)O 62a_100000742655_100012276601 [0,2,0,0,0,0|1,0,0]=3 4827 B12R0.184 COC(=O)/C=C/CSCCC(C)O 62a_100012276601_100000742655 [0,2,0,0,0,0|1,0,0]=3 4828 B12R0.184 COC(=O)/C=C/CSCCN(C)C 62a_100000742655_100000755713 [0,2,0,0,0,0|2,0,0]=4 4829 B12R0.184 COC(=O)/C=C/CSCOC(C)C 62a_100000709892_100000742655 [0,2,0,0,0,0|2,0,0]=4 4830 B12R0.184 COC(=O)/C=C/CSCOC(C)C 62a_100000742655_100000709892 [0,2,0,0,0,0|2,0,0]=4 4831 B12R0.184 COC(=O)COCCCCC(C)C 34a_100011214890_100000747449 [0,2,0,0,0,0|1,0,1]=4 4832 B12R0.184 COC(=O)COCCCCC(C)C 7a_100011214890_100000747449 [0,2,0,0,0,0|1,0,1]=4 4833 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100000747449_100011216152 [0,2,0,0,0,0|1,0,1]=4 4834 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100011216152_100000747449 [0,2,0,0,0,0|1,0,1]=4 4835 B12R0.1 C#CCC(=O)C/C=C/CCCCC 1458a_100020675968_100000184674 [0,2,0,0,0,0|0,0,2]=4 4836 B12R0.1 C#CCC(=O)C=CCCCCCC 1458a_200015324643_100000184674 [0,2,0,0,0,0|0,0,0]=2 4837 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100000210188_100000184674 [0,2,0,0,0,0|0,0,2]=4 4838 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100011220946_100000210759 [0,2,0,0,0,0|0,0,2]=4 4839 B12R0.1 C#CCC(=O)NCCCCCCC 1626a_100000229938_100011220946 [0,2,0,0,0,0|1,0,1]=4 4840 B12R0.1 C#CCC(=O)NCCCCCCC 527a_100000229938_100011220946 [0,2,0,0,0,0|1,0,1]=4 4841 B12R0.1 C=CCC(=O)C/C=C/CCCCC 1458a_100020675968_100000210623 [0,2,0,0,0,0|0,0,2]=4 4842 B12R0.1 C=CCC(=O)C=CCCCCCC 1458a_200015324643_100000210623 [0,2,0,0,0,0|0,0,0]=2 4843 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [0,2,0,0,0,0|0,0,2]=4 4844 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [0,2,0,0,0,0|0,0,2]=4 4845 B12R0.1 C=CCC(=O)NCCCCCCC 11a_100000229938_100000210193 [0,2,0,0,0,0|1,0,1]=4 4846 B12R0.1 C=CCC(=O)NCCCCCCC 1626a_100000229938_100000210193 [0,2,0,0,0,0|1,0,1]=4 4847 B12R0.1 C=CCC(=O)NCCCCCCC 240690a_100000229938_100000210193 [0,2,0,0,0,0|1,0,1]=4 4848 B12R0.1 C=CCC(=O)NCCCCCCC 527a_100000229938_100000210193 [0,2,0,0,0,0|1,0,1]=4 4849 B12R0.1 CC#CC(=O)CCCCCCCC 1458a_100000763181_100000210759 [0,2,0,0,0,0|0,0,2]=4 4850 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [0,2,0,0,0,0|0,0,2]=4 4851 B12R0.1 CC=CC(=O)NCCCCCCC 11a_100000229938_100000210699 [0,2,0,0,0,0|1,0,1]=4 4852 B12R0.1 CC=CC(=O)NCCCCCCC 1626a_100000229938_100000210699 [0,2,0,0,0,0|1,0,1]=4 4853 B12R0.1 CC=CC(=O)NCCCCCCC 240690a_100000229938_100000210699 [0,2,0,0,0,0|1,0,1]=4 4854 B12R0.1 CCCCC/C=C/CC(=O)CC#N 1458a_100020675968_100011214920 [0,2,0,0,0,0|0,0,2]=4 4855 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [0,2,0,0,0,0|0,0,2]=4 4856 B12R0.1 CCCCC/C=C/CC(=O)CCF 1458a_100020675968_100011217306 [0,2,0,0,0,0|0,0,2]=4 4857 B12R0.1 CCCCC/C=C/CC(=O)CCO 1458a_100020675968_100000211926 [0,2,0,0,0,0|0,0,2]=4 4858 B12R0.1 CCCCC/C=C/CC(=O)NCC 11a_100015525214_100020675968 [0,2,0,0,0,0|0,0,2]=4 4859 B12R0.1 CCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020675968 [0,2,0,0,0,0|0,0,2]=4 4860 B12R0.1 CCCCC/C=C/CC(=O)NNC 22a_100016993582_100020675968 [0,2,0,0,0,0|0,0,2]=4 4861 B12R0.1 CCCCCCC=CC(=O)CC#N 1458a_200015324643_100011214920 [0,2,0,0,0,0|0,0,0]=2 4862 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [0,2,0,0,0,0|0,0,0]=2 4863 B12R0.1 CCCCCCC=CC(=O)CCF 1458a_200015324643_100011217306 [0,2,0,0,0,0|0,0,0]=2 4864 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [0,2,0,0,0,0|0,0,0]=2 4865 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [0,2,0,0,0,0|0,0,0]=2 4866 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [0,2,0,0,0,0|0,0,0]=2 4867 B12R0.1 CCCCCCC=CC(=O)NNC 22a_100016993582_200015324643 [0,2,0,0,0,0|0,0,0]=2 4868 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100000210188_100011214920 [0,2,0,0,0,0|0,0,2]=4 4869 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100051588842_100000210759 [0,2,0,0,0,0|0,0,2]=4 4870 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,2,0,0,0,0|0,0,2]=4 4871 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,2,0,0,0,0|0,0,2]=4 4872 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [0,2,0,0,0,0|0,0,2]=4 4873 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,2,0,0,0,0|0,0,2]=4 4874 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,2,0,0,0,0|0,0,2]=4 4875 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,2,0,0,0,0|0,0,2]=4 4876 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [0,2,0,0,0,0|0,0,2]=4 4877 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [0,2,0,0,0,0|0,0,2]=4 4878 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [0,2,0,0,0,0|0,0,2]=4 4879 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [0,2,0,0,0,0|0,0,2]=4 4880 B12R0.1 CCCCCCCCC(=O)NNC 22a_100016993582_100000210188 [0,2,0,0,0,0|0,0,2]=4 4881 B12R0.1 CCCCCCCNC(=O)CC#N 1626a_100000229938_100051588842 [0,2,0,0,0,0|1,0,1]=4 4882 B12R0.1 CCCCCCCNC(=O)CC#N 240690a_100000229938_100051588842 [0,2,0,0,0,0|1,0,1]=4 4883 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [0,2,0,0,0,0|1,0,1]=4 4884 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [0,2,0,0,0,0|1,0,1]=4 4885 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [0,2,0,0,0,0|1,0,1]=4 4886 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [0,2,0,0,0,0|1,0,1]=4 4887 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [0,2,0,0,0,0|1,0,1]=4 4888 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [0,2,0,0,0,0|1,0,1]=4 4889 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [0,2,0,0,0,0|1,0,1]=4 4890 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [0,2,0,0,0,0|1,0,1]=4 4891 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [0,2,0,0,0,0|1,0,1]=4 4892 B12R0.1 CCCCCCCNC(=O)CSC 11a_100000229938_100000184570 [0,2,0,0,0,0|1,0,1]=4 4893 B12R0.1 CCCCCCCNC(=O)CSC 1626a_100000229938_100000184570 [0,2,0,0,0,0|1,0,1]=4 4894 B12R0.1 CCCCCCCNC(=O)CSC 240690a_100000229938_100000184570 [0,2,0,0,0,0|1,0,1]=4 4895 B12R0.1 CCCCCCCNC(=O)CSC 527a_100000229938_100000184570 [0,2,0,0,0,0|1,0,1]=4 4896 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [0,2,0,0,0,0|1,0,1]=4 4897 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [0,2,0,0,0,0|1,0,1]=4 4898 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [0,2,0,0,0,0|1,0,1]=4 4899 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [0,2,0,0,0,0|1,0,1]=4 4900 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [0,2,0,0,0,0|1,0,1]=4 4901 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [0,2,0,0,0,0|1,0,1]=4 4902 B12R0.1 CCCCCCCNC(=O)NNC 273464a_100000229938_100016993582 [0,2,0,0,0,0|1,0,1]=4 4903 B12R0.1 CCCCCCCNC(=O)NNC 512a_100000229938_100016993582 [0,2,0,0,0,0|1,0,1]=4 4904 B12R0.1 CCCCCCCNC(=O)NNC 512a_100016993582_100000229938 [0,2,0,0,0,0|1,0,1]=4 4905 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [0,2,0,0,0,0|1,0,1]=4 4906 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [0,2,0,0,0,0|1,0,1]=4 4907 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [0,2,0,0,0,0|1,0,1]=4 4908 B12R0.1 CCCCCCNCC(=O)NCO 2230a_100000210581_100000185155 [0,2,0,0,0,0|1,0,1]=4 4909 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [0,2,0,0,0,0|1,0,1]=4 4910 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,2,0,0,0,0|1,0,1]=4 4911 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [0,2,0,0,0,0|1,0,1]=4 4912 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [0,2,0,0,0,0|1,0,1]=4 4913 B12R0.1 CCCCCCOCC(=O)NCO 34a_100000210259_100000185155 [0,2,0,0,0,0|1,0,1]=4 4914 B12R0.1 CCCCCCOCC(=O)NCO 7a_100000210259_100000185155 [0,2,0,0,0,0|1,0,1]=4 4915 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [0,2,0,0,0,0|1,0,1]=4 4916 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [0,2,0,0,0,0|1,0,1]=4 4917 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [0,2,0,0,0,0|1,0,1]=4 4918 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [0,2,0,0,0,0|1,0,1]=4 4919 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [0,2,0,0,0,0|1,0,1]=4 4920 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [0,2,0,0,0,0|1,0,1]=4 4921 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000185155_100000210757 [0,2,0,0,0,0|1,0,1]=4 4922 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000210314_100000185155 [0,2,0,0,0,0|1,0,1]=4 4923 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [0,2,0,0,0,0|1,0,1]=4 4924 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [0,2,0,0,0,0|1,0,1]=4 4925 B12R0.1 CCCCCNN=CC(=O)OCC 4a_100000694160_100000742314 [0,2,0,0,0,0|2,0,0]=4 4926 B12R0.1 CCCCNC/C=C/C(=O)OCC 2230a_100000102301_100016267167 [0,2,0,0,0,0|1,0,0]=3 4927 B12R0.1 CCCCNC/C=C/C(=O)OCC 7a_106832991798_100016267167 [0,2,0,0,0,0|1,0,0]=3 4928 B12R0.1 CCCCOC/C=C/C(=O)OCC 34a_100000210227_100016267167 [0,2,0,0,0,0|1,0,0]=3 4929 B12R0.1 CCCCOC/C=C/C(=O)OCC 7a_100000210227_100016267167 [0,2,0,0,0,0|1,0,0]=3 4930 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100000210211_100016267167 [0,2,0,0,0,0|1,0,0]=3 4931 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210210 [0,2,0,0,0,0|1,0,0]=3 4932 B12R0.1 CCOC(=O)/C=C/CNCCCF 2230a_100015189416_100016267167 [0,2,0,0,0,0|2,0,0]=4 4933 B12R0.1 CCOC(=O)/C=C/CNCCCF 34a_100015189416_100016267167 [0,2,0,0,0,0|2,0,0]=4 4934 B12R0.1 CCOC(=O)/C=C/CNCCOC 2230a_100000209980_100016267167 [0,2,0,0,0,0|2,0,0]=4 4935 B12R0.1 CCOC(=O)/C=C/CNCCSC 2230a_100020590264_100016267167 [0,2,0,0,0,0|2,0,0]=4 4936 B12R0.1 CCOC(=O)/C=C/COCCCBr 34a_100011217188_100016267167 [0,2,0,0,0,0|2,0,0]=4 4937 B12R0.1 CCOC(=O)/C=C/COCCCCl 34a_100000230001_100016267167 [0,2,0,0,0,0|2,0,0]=4 4938 B12R0.1 CCOC(=O)/C=C/COCCCF 34a_100000759539_100016267167 [0,2,0,0,0,0|2,0,0]=4 4939 B12R0.1 CCOC(=O)/C=C/COCCCN 34a_100000182051_100016267167 [0,2,0,0,0,0|2,0,0]=4 4940 B12R0.1 CCOC(=O)/C=C/COCCOC 34a_100000210237_100016267167 [0,2,0,0,0,0|2,0,0]=4 4941 B12R0.1 CCOC(=O)/C=C/COCCSC 34a_100000230434_100016267167 [0,2,0,0,0,0|2,0,0]=4 4942 B12R0.1 CCOC(=O)/C=C/COCCSC 7a_100000230434_100016267167 [0,2,0,0,0,0|2,0,0]=4 4943 B12R0.1 CCOC(=O)/C=C/CSCCCF 62a_100011934791_100016267167 [0,2,0,0,0,0|2,0,0]=4 4944 B12R0.1 CCOC(=O)/C=C/CSCCCF 62a_100016267167_100011934791 [0,2,0,0,0,0|2,0,0]=4 4945 B12R0.1 CCOC(=O)/C=C/CSCCCO 62a_100011215043_100016267167 [0,2,0,0,0,0|2,0,0]=4 4946 B12R0.1 CCOC(=O)/C=C/CSCCCO 62a_100016267167_100011215043 [0,2,0,0,0,0|2,0,0]=4 4947 B12R0.1 CCOC(=O)/C=C/CSCCOC 62a_100000233755_100016267167 [0,2,0,0,0,0|2,0,0]=4 4948 B12R0.1 CCOC(=O)/C=C/CSCCOC 62a_100016267167_100000233755 [0,2,0,0,0,0|2,0,0]=4 4949 B12R0.1 CCOC(=O)/C=C/CSCCSC 62a_100000212216_100016267167 [0,2,0,0,0,0|2,0,0]=4 4950 B12R0.1 CCOC(=O)/C=C/CSCCSC 62a_100016267167_100000751147 [0,2,0,0,0,0|2,0,0]=4 4951 B12R0.1 CCOCSC/C=C/C(=O)OCC 62a_100000739092_100016267167 [0,2,0,0,0,0|2,0,0]=4 4952 B12R0.1 CCOCSC/C=C/C(=O)OCC 62a_100016267167_100000739092 [0,2,0,0,0,0|2,0,0]=4 4953 B12R0.49 C/C=C(\C)/C(=O)CCCCCCC 1458a_100020587367_100000210614 [0,2,0,0,0,0|1,0,1]=4 4954 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC 11a_100000210581_100020587367 [0,2,0,0,0,0|2,0,0]=4 4955 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC 1626a_100000210581_100020587367 [0,2,0,0,0,0|2,0,0]=4 4956 B12R0.49 C=C(COCCCCC)C(=O)OC 34a_100000210253_100009813391 [0,2,0,0,0,0|1,0,1]=4 4957 B12R0.49 C=C(CSCCCCC)C(=O)OC 62a_100000210326_100009813391 [0,2,0,0,0,0|1,0,1]=4 4958 B12R0.49 C=C(CSCCCCC)C(=O)OC 62a_100009813391_100000210326 [0,2,0,0,0,0|1,0,1]=4 4959 B12R0.49 CCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210614 [0,2,0,0,0,0|0,0,1]=3 4960 B12R0.49 CCCCCCCC(C)C(=O)CC 1458a_100000210414_200011218727 [0,2,0,0,0,0|0,0,2]=4 4961 B12R0.49 CCCCCCCC(C)C(=O)CO 1458a_100000210174_200011218727 [0,2,0,0,0,0|0,0,2]=4 4962 B12R0.49 CCCCCCCN(C)C(=O)CC 11a_100000228206_100000210414 [0,2,0,0,0,0|1,0,1]=4 4963 B12R0.49 CCCCCCCN(C)C(=O)CC 1626a_100000228206_100000210414 [0,2,0,0,0,0|1,0,1]=4 4964 B12R0.49 CCCCCCCN(C)C(=O)CC 240690a_100000228206_100000210414 [0,2,0,0,0,0|1,0,1]=4 4965 B12R0.49 CCCCCCCN(C)C(=O)CC 527a_100000228206_100000210414 [0,2,0,0,0,0|1,0,1]=4 4966 B12R0.49 CCCCCCCN(C)C(=O)CO 240690a_100000228206_100000210174 [0,2,0,0,0,0|1,0,1]=4 4967 B12R0.49 CCCCCCCN(C)C(=O)CO 527a_100000228206_100000210174 [0,2,0,0,0,0|1,0,1]=4 4968 B12R0.49 CCCCCCCN(C)C(=O)NC 2708a_100102657272_100000228206 [0,2,0,0,0,0|1,0,1]=4 4969 B12R0.49 CCCCCCCN(C)C(=O)NC 273464a_100102657272_100000228206 [0,2,0,0,0,0|1,0,1]=4 4970 B12R0.49 CCCCCCNC(=O)C(=O)NC 1626a_100000210581_100011218921 [0,2,0,0,0,0|1,0,0]=3 4971 B12R0.49 CCCCCCNC(=O)C(=O)NC 240690a_100000210581_100011218921 [0,2,0,0,0,0|1,0,0]=3 4972 B12R0.49 CCCCCCNC(=O)C(=O)NC 527a_100000210581_100011218921 [0,2,0,0,0,0|1,0,0]=3 4973 B12R0.49 CCCCCCNC(=O)C(=O)OC 11a_100000210581_100000024059 [0,2,0,0,0,0|1,0,0]=3 4974 B12R0.49 CCCCCCNC(=O)C(=O)OC 1626a_100000210581_100000024059 [0,2,0,0,0,0|1,0,0]=3 4975 B12R0.49 CCCCCCNC(=O)C(=O)OC 240690a_100000210581_100000024059 [0,2,0,0,0,0|1,0,0]=3 4976 B12R0.49 CCCCCCNC(=O)C(=O)OC 527a_100000210581_100000024059 [0,2,0,0,0,0|1,0,0]=3 4977 B12R0.49 CCCCCCNC(C)C(=O)CC 2230a_100000210581_100000742827 [0,2,0,0,0,0|1,0,1]=4 4978 B12R0.49 CCCCCCNC(C)C(=O)NC 2230a_100000210581_100000731044 [0,2,0,0,0,0|1,0,1]=4 4979 B12R0.49 CCCCCCNC(C)C(=O)OC 2230a_100000210581_100000211248 [0,2,0,0,0,0|1,0,1]=4 4980 B12R0.49 CCCCCCNC(F)C(=O)NC 2230a_100000210581_100009813575 [0,2,0,0,0,0|1,0,1]=4 4981 B12R0.49 CCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210314 [0,2,0,0,0,0|1,0,1]=4 4982 B12R0.49 CCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210314 [0,2,0,0,0,0|1,0,1]=4 4983 B12R0.49 CCCCCCOC(C)C(=O)CC 7a_100000210259_100000742827 [0,2,0,0,0,0|1,0,1]=4 4984 B12R0.49 CCCCCCOC(C)C(=O)NC 34a_100000210259_100000731044 [0,2,0,0,0,0|1,0,1]=4 4985 B12R0.49 CCCCCCOC(C)C(=O)NC 7a_100000210259_100000209862 [0,2,0,0,0,0|1,0,1]=4 4986 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100000210259_100000211248 [0,2,0,0,0,0|1,0,1]=4 4987 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100011215400_100000210314 [0,2,0,0,0,0|1,0,1]=4 4988 B12R0.49 CCCCCCOC(C)C(=O)OC 7a_100000210259_100000211248 [0,2,0,0,0,0|1,0,1]=4 4989 B12R0.49 CCCCCCOC(F)C(=O)NC 34a_100000210259_100009813575 [0,2,0,0,0,0|1,0,1]=4 4990 B12R0.49 CCCCCCOC(F)C(=O)NC 7a_100000210259_100009813575 [0,2,0,0,0,0|1,0,1]=4 4991 B12R0.49 CCCCCCSC(C)C(=O)CC 62a_100000210314_100000742827 [0,2,0,0,0,0|1,0,1]=4 4992 B12R0.49 CCCCCCSC(C)C(=O)CC 62a_100000742827_100000210757 [0,2,0,0,0,0|1,0,1]=4 4993 B12R0.49 CCCCCCSC(C)C(=O)NC 62a_100000209862_100000210757 [0,2,0,0,0,0|1,0,1]=4 4994 B12R0.49 CCCCCCSC(C)C(=O)NC 62a_100000210314_100000731044 [0,2,0,0,0,0|1,0,1]=4 4995 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000210314_100000211248 [0,2,0,0,0,0|1,0,1]=4 4996 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000211248_100000210757 [0,2,0,0,0,0|1,0,1]=4 4997 B12R0.49 CCCCCCSC(F)C(=O)NC 62a_100000210314_100009813575 [0,2,0,0,0,0|1,0,1]=4 4998 B12R0.49 CCCCCCSC(F)C(=O)NC 62a_100009813575_100000210757 [0,2,0,0,0,0|1,0,1]=4 4999 B12R0.49 CCCCCNN=C(C)C(=O)OC 4a_100000694160_100000211753 [0,2,0,0,0,0|2,0,0]=4 5000 B12R0.49 CCCCCNNC(=O)C(=O)NC 22a_100000694160_100011218921 [0,2,0,0,0,0|2,0,0]=4 5001 B12R0.49 CCCCCOCC(=O)C(=O)OC 34a_100000210253_100011610305 [0,2,0,0,0,0|1,0,1]=4 5002 B12R0.49 CCCCCSCC(=O)C(=O)OC 62a_100000210326_100011610305 [0,2,0,0,0,0|1,0,1]=4 5003 B12R0.49 CCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210326 [0,2,0,0,0,0|1,0,1]=4 5004 B12R0.49 CCCCOCCC(=O)C(=O)NC 1458a_100011218921_100000743108 [0,2,0,0,0,0|1,0,1]=4 5005 B12R0.49 CCCOCCNC(=O)C(=O)NC 1626a_100161115042_100011218921 [0,2,0,0,0,0|2,0,0]=4 5006 B12R0.49 CCCOCCNC(=O)C(=O)NC 240690a_100161115042_100011218921 [0,2,0,0,0,0|2,0,0]=4 5007 B12R0.49 CCCOCCNC(=O)C(=O)NC 527a_100161115042_100011218921 [0,2,0,0,0,0|2,0,0]=4 5008 B12R0.49 CCCOCCNC(=O)C(=O)OC 1626a_100161115042_100000024059 [0,2,0,0,0,0|2,0,0]=4 5009 B12R0.49 CCCOCCNC(=O)C(=O)OC 240690a_100161115042_100000024059 [0,2,0,0,0,0|2,0,0]=4 5010 B12R0.49 CCCOCCNC(=O)C(=O)OC 527a_100161115042_100000024059 [0,2,0,0,0,0|2,0,0]=4 5011 B12R0.49 CCCSCCNC(=O)C(=O)NC 240690a_100020603323_100011218921 [0,2,0,0,0,0|2,0,0]=4 5012 B12R0.49 CCCSCCNC(=O)C(=O)NC 527a_100020603323_100011218921 [0,2,0,0,0,0|2,0,0]=4 5013 B12R0.49 CCCSCCNC(=O)C(=O)OC 11a_100020603323_100000024059 [0,2,0,0,0,0|2,0,0]=4 5014 B12R0.49 CCCSCCNC(=O)C(=O)OC 240690a_100020603323_100000024059 [0,2,0,0,0,0|2,0,0]=4 5015 B12R0.49 CCCSCCNC(=O)C(=O)OC 527a_100020603323_100000024059 [0,2,0,0,0,0|2,0,0]=4 5016 B12R0.49 CCOCCCNC(=O)C(=O)NC 1626a_100000210961_100011218921 [0,2,0,0,0,0|2,0,0]=4 5017 B12R0.49 CCOCCCNC(=O)C(=O)NC 240690a_100000210961_100011218921 [0,2,0,0,0,0|2,0,0]=4 5018 B12R0.49 CCOCCCNC(=O)C(=O)NC 527a_100000210961_100011218921 [0,2,0,0,0,0|2,0,0]=4 5019 B12R0.49 CCOCCCNC(=O)C(=O)OC 11a_100000210961_100000024059 [0,2,0,0,0,0|2,0,0]=4 5020 B12R0.49 CCOCCCNC(=O)C(=O)OC 1626a_100000210961_100000024059 [0,2,0,0,0,0|2,0,0]=4 5021 B12R0.49 CCOCCCNC(=O)C(=O)OC 240690a_100000210961_100000024059 [0,2,0,0,0,0|2,0,0]=4 5022 B12R0.49 CCOCCCNC(=O)C(=O)OC 527a_100000210961_100000024059 [0,2,0,0,0,0|2,0,0]=4 5023 B12R0.49 CNC(=O)C(=O)CCCCCCF 1458a_100011218921_100015922095 [0,2,0,0,0,0|1,0,1]=4 5024 B12R0.49 CNC(=O)C(=O)CCCCCCO 1458a_100011218921_100000766143 [0,2,0,0,0,0|1,0,1]=4 5025 B12R0.49 CNC(=O)C(=O)NCCCCCO 240690a_100000762737_100011218921 [0,2,0,0,0,0|2,0,0]=4 5026 B12R0.49 COC(=O)C(=O)NCCCCCO 240690a_100000762737_100000024059 [0,2,0,0,0,0|2,0,0]=4 5027 B12R0.102 CCCCC(C)COCC(=O)CC 7a_100011995851_100000747405 [0,2,0,0,0,0|1,0,1]=4 5028 B12R0.102 CCCCC(C)COCC(=O)NC 34a_100011995851_100000183359 [0,2,0,0,0,0|1,0,1]=4 5029 B12R0.102 CCCCC(C)COCC(=O)NC 7a_100011995851_100000183359 [0,2,0,0,0,0|1,0,1]=4 5030 B12R0.102 CCCCC(C)COCC(=O)OC 34a_100011995851_100000747449 [0,2,0,0,0,0|1,0,1]=4 5031 B12R0.102 CCCCC(C)COCC(=O)OC 7a_100011995851_100000747449 [0,2,0,0,0,0|1,0,1]=4 5032 B12R0.102 CCCCN(C)C/C=C/C(=O)OC 2230a_100000207549_100000742655 [0,2,0,0,0,0|1,0,0]=3 5033 B12R0.102 CCCCN(C)C/C=C/C(=O)OC 269982a_100000207549_100000742655 [0,2,0,0,0,0|1,0,0]=3 5034 B12R0.102 CCCC[C@H](N)COCC(=O)NC 34a_100011934283_100000183359 [0,2,0,0,0,0|1,0,1]=4 5035 B12R0.102 CCCC[C@H](N)COCC(=O)OC 34a_100011934283_100000747449 [0,2,0,0,0,0|1,0,1]=4 5036 B12R0.102 COC(=O)/C=C/CN(C)CCCO 2230a_100000213112_100000742655 [0,2,0,0,0,0|2,0,0]=4 5037 B12R0.102 COC(=O)/C=C/CN(C)CCCO 269982a_100000213112_100000742655 [0,2,0,0,0,0|2,0,0]=4 5038 B12R0.102 COC(=O)/C=C/CN(C)CCSC 2230a_100000686725_100000742655 [0,2,0,0,0,0|2,0,0]=4 5039 B12R0.102 COC(=O)/C=C/CN(C)CCSC 269982a_100000686725_100000742655 [0,2,0,0,0,0|2,0,0]=4 5040 B12R0.102 COCCN(C)C/C=C/C(=O)OC 2230a_100000743101_100000742655 [0,2,0,0,0,0|2,0,0]=4 5041 B12R0.102 COCCN(C)C/C=C/C(=O)OC 269982a_100000743101_100000742655 [0,2,0,0,0,0|2,0,0]=4 5042 B12R0.142 CC=C(C)C=CC(=O)CCCCC 1458a_100000692105_100000210326 [0,2,0,0,0,0|1,0,1]=4 5043 B12R0.142 CCCCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210326 [0,2,0,0,0,0|0,0,1]=3 5044 B12R0.142 CCCCCC(C)CCC(=O)CC 1458a_100000034243_100000210202 [0,2,0,0,0,0|0,0,2]=4 5045 B12R0.142 CCCCCC(C)CCC(=O)CF 1458a_100000034243_100015361967 [0,2,0,0,0,0|0,0,2]=4 5046 B12R0.142 CCCCCC(C)CCC(=O)NC 11a_106832991635_100000034243 [0,2,0,0,0,0|0,0,2]=4 5047 B12R0.142 CCCCCC(C)CCC(=O)NC 1626a_100102657272_100000034243 [0,2,0,0,0,0|0,0,2]=4 5048 B12R0.142 CCCCCC(C)CCC(=O)NC 240690a_100102657272_100000034243 [0,2,0,0,0,0|0,0,2]=4 5049 B12R0.142 CCCCCC(C)CCC(=O)NC 527a_100102657272_100000034243 [0,2,0,0,0,0|0,0,2]=4 5050 B12R0.142 CCCCCC(C)NCC(=O)NC 2230a_100000211957_100000183359 [0,2,0,0,0,0|1,0,1]=4 5051 B12R0.142 CCCCCC(C)NCC(=O)NC 2230a_100000693194_200011218191 [0,2,0,0,0,0|1,0,1]=4 5052 B12R0.142 CCCCCC(C)NCC(=O)NC 270004a_100000693194_100000211708 [0,2,0,0,0,0|1,0,1]=4 5053 B12R0.142 CCCCCC(C)NCC(=O)OC 2230a_100000211957_100000747449 [0,2,0,0,0,0|1,0,1]=4 5054 B12R0.142 CCCCCC(C)OCC(=O)CC 34a_100000725409_200011218191 [0,2,0,0,0,0|1,0,1]=4 5055 B12R0.142 CCCCCC(C)OCC(=O)CC 7a_100011215632_100000747405 [0,2,0,0,0,0|1,0,1]=4 5056 B12R0.142 CCCCCC(C)OCC(=O)NC 34a_100000750040_200011218191 [0,2,0,0,0,0|1,0,1]=4 5057 B12R0.142 CCCCCC(C)OCC(=O)NC 34a_100011215632_100000183359 [0,2,0,0,0,0|1,0,1]=4 5058 B12R0.142 CCCCCC(C)OCC(=O)NC 7a_100011215632_100000183359 [0,2,0,0,0,0|1,0,1]=4 5059 B12R0.142 CCCCCC(C)OCC(=O)OC 34a_100011215632_100000747449 [0,2,0,0,0,0|1,0,1]=4 5060 B12R0.142 CCCCCC(C)OCC(=O)OC 7a_100011215632_100000747449 [0,2,0,0,0,0|1,0,1]=4 5061 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_100000747405_200011218191 [0,2,0,0,0,0|1,0,1]=4 5062 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_200011218191_100000747405 [0,2,0,0,0,0|1,0,1]=4 5063 B12R0.142 CCCCCC(C)SCC(=O)NC 62a_100000183359_200011218191 [0,2,0,0,0,0|1,0,1]=4 5064 B12R0.142 CCCCCC(C)SCC(=O)NC 62a_200011218191_100000183359 [0,2,0,0,0,0|1,0,1]=4 5065 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_100000747449_200011218191 [0,2,0,0,0,0|1,0,1]=4 5066 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_200011218191_100000747449 [0,2,0,0,0,0|1,0,1]=4 5067 B12R0.142 CCCCNC(=O)C=CC(=O)NC 1626a_100000102301_100016259477 [0,2,0,0,0,0|1,0,1]=4 5068 B12R0.142 CCCCNC(=O)C=CC(=O)OC 1626a_100000102301_100016283253 [0,2,0,0,0,0|1,0,1]=4 5069 B12R0.142 CCCCOC(=O)C=CC(=O)NC 1626a_100102657272_100015195251 [0,2,0,0,0,0|1,0,1]=4 5070 B12R0.142 CCCCOC(=O)C=CC(=O)NC 240690a_100102657272_100015195251 [0,2,0,0,0,0|1,0,1]=4 5071 B12R0.142 CCOCCC(=O)C=CC(=O)NC 1458a_100016259477_100011215890 [0,2,0,0,0,0|1,0,1]=4 5072 B12R0.142 CCSCCC(=O)C=CC(=O)NC 1458a_100016259477_100000757381 [0,2,0,0,0,0|1,0,1]=4 5073 B12R0.142 CNC(=O)C=CC(=O)CCCCF 1458a_100016259477_100000729493 [0,2,0,0,0,0|1,0,1]=4 5074 B12R0.142 CNC(=O)C=CC(=O)CCCCO 1458a_100016259477_100000210776 [0,2,0,0,0,0|1,0,1]=4 5075 B12R0.142 CNC(=O)C=CC(=O)CCCOC 1458a_100016259477_100000740836 [0,2,0,0,0,0|1,0,1]=4 5076 B12R0.183 CCC(=O)COC/C=C/C(=O)OC 34a_100000725409_100000742655 [0,2,0,0,0,0|1,0,1]=4 5077 B12R0.183 CCC(=O)COCCCC(C)CC 7a_100011216074_100000747405 [0,2,0,0,0,0|1,0,1]=4 5078 B12R0.183 CCC(=O)CSC/C=C/C(=O)OC 62a_100000742655_100000747405 [0,2,0,0,0,0|1,0,1]=4 5079 B12R0.183 CCC(=O)CSC/C=C/C(=O)OC 62a_100000747405_100000742655 [0,2,0,0,0,0|1,0,1]=4 5080 B12R0.183 CCC(C)CCCOCC(=O)NC 7a_100011216074_100000183359 [0,2,0,0,0,0|1,0,1]=4 5081 B12R0.183 CCC(C)CCCOCC(=O)OC 7a_100011216074_100000747449 [0,2,0,0,0,0|1,0,1]=4 5082 B12R0.183 CCC(C)CNC/C=C/C(=O)OC 2230a_100020588543_100000742655 [0,2,0,0,0,0|1,0,0]=3 5083 B12R0.183 CCC(C)CSC/C=C/C(=O)OC 62a_100000742655_100000748023 [0,2,0,0,0,0|1,0,0]=3 5084 B12R0.183 CCC(C)CSC/C=C/C(=O)OC 62a_100000748023_100000742655 [0,2,0,0,0,0|1,0,0]=3 5085 B12R0.183 CCC(O)CNC/C=C/C(=O)OC 2230a_100011218483_100000742655 [0,2,0,0,0,0|1,0,0]=3 5086 B12R0.183 CCC(O)CSC/C=C/C(=O)OC 62a_100000742655_100011218378 [0,2,0,0,0,0|1,0,0]=3 5087 B12R0.183 CCC(O)CSC/C=C/C(=O)OC 62a_100011218378_100000742655 [0,2,0,0,0,0|1,0,0]=3 5088 B12R0.183 CC[C@H](C)COC/C=C/C(=O)OC 7a_100009816381_100000742655 [0,2,0,0,0,0|1,0,0]=3 5089 B12R0.183 CC[C@H](C)CSC/C=C/C(=O)OC 62a_100000742655_100009816398 [0,2,0,0,0,0|1,0,0]=3 5090 B12R0.183 CC[C@H](C)CSC/C=C/C(=O)OC 62a_100009816398_100000742655 [0,2,0,0,0,0|1,0,0]=3 5091 B12R0.183 COC(=O)/C=C/CNCC(C)CO 34a_100000744482_100000742655 [0,2,0,0,0,0|2,0,0]=4 5092 B12R0.183 COC(=O)/C=C/CNC[C@@H](C)OC 2230a_100020591295_100000742655 [0,2,0,0,0,0|2,0,0]=4 5093 B12R0.183 COC(=O)/C=C/CNC[C@@H](F)CO 34a_100015665980_100000742655 [0,2,0,0,0,0|2,0,0]=4 5094 B12R0.183 COC(=O)/C=C/CNC[C@H](O)CO 2230a_100020644852_100000742655 [0,2,0,0,0,0|2,0,0]=4 5095 B12R0.183 COC(=O)/C=C/COCC(C)CN 34a_100000744482_100000742655 [0,2,0,0,0,0|2,0,0]=4 5096 B12R0.183 COC(=O)/C=C/COCC(C)OC 34a_100000690652_100000742655 [0,2,0,0,0,0|2,0,0]=4 5097 B12R0.183 COC(=O)/C=C/COCC(Cl)CCl 34a_100000033668_100000742655 [0,2,0,0,0,0|2,0,0]=4 5098 B12R0.183 COC(=O)/C=C/COC[C@H](F)CN 34a_100015665980_100000742655 [0,2,0,0,0,0|2,0,0]=4 5099 B12R0.183 COC(=O)/C=C/CSCC(O)CO 62a_100000742655_100011219619 [0,2,0,0,0,0|2,0,0]=4 5100 B12R0.183 COC(=O)/C=C/CSCC(O)CO 62a_100011219619_100000742655 [0,2,0,0,0,0|2,0,0]=4 5101 B12R0.183 COC(=O)/C=C/CSC[C@@H](C)CO 62a_100000059175_100000742655 [0,2,0,0,0,0|2,0,0]=4 5102 B12R0.183 COC(=O)/C=C/CSC[C@@H](C)CO 62a_100000742655_100000059175 [0,2,0,0,0,0|2,0,0]=4 5103 B12R0.183 COC(=O)/C=C/CSC[C@@H](O)CF 62a_100000742655_100015614560 [0,2,0,0,0,0|2,0,0]=4 5104 B12R0.183 COC(=O)/C=C/CSC[C@@H](O)CF 62a_100015614560_100000742655 [0,2,0,0,0,0|2,0,0]=4 5105 B12R0.183 COC(=O)/C=C/CSC[C@@H](O)CO 62a_100000742655_100009815848 [0,2,0,0,0,0|2,0,0]=4 5106 B12R0.183 COC(=O)/C=C/CSC[C@@H](O)CO 62a_100009815848_100000742655 [0,2,0,0,0,0|2,0,0]=4 5107 B12R0.248 C#C/C(=C\COCCCCCC)/C 34a_100016990848_100000210314 [0,2,0,0,0,0|1,0,1]=4 5108 B12R0.248 C#CCCCNC/C=C/C(=O)OC 34a_100000718082_100000742655 [0,2,0,0,0,0|0,0,2]=4 5109 B12R0.248 C#CCCCOC/C=C/C(=O)OC 34a_100000215630_100000742655 [0,2,0,0,0,0|0,0,2]=4 5110 B12R0.248 C#CCCCOC/C=C/C(=O)OC 7a_100000215630_100000742655 [0,2,0,0,0,0|0,0,2]=4 5111 B12R0.248 C#CCCCSC/C=C/C(=O)OC 62a_100000742655_100011215417 [0,2,0,0,0,0|0,0,2]=4 5112 B12R0.248 C#CCCCSC/C=C/C(=O)OC 62a_100011215417_100000742655 [0,2,0,0,0,0|0,0,2]=4 5113 B12R0.248 C/C=C/CCOC/C=C/C(=O)OC 34a_100016278192_100000742655 [0,2,0,0,0,0|0,0,2]=4 5114 B12R0.248 C=CCCCNC/C=C/C(=O)OC 2230a_100000700776_100000742655 [0,2,0,0,0,0|0,0,2]=4 5115 B12R0.248 C=CCCCNC/C=C/C(=O)OC 34a_100000700776_100000742655 [0,2,0,0,0,0|0,0,2]=4 5116 B12R0.248 C=CCCCOC/C=C/C(=O)OC 34a_100000758997_100000742655 [0,2,0,0,0,0|0,0,2]=4 5117 B12R0.248 C=CCCCOC/C=C/C(=O)OC 7a_100000758997_100000742655 [0,2,0,0,0,0|0,0,2]=4 5118 B12R0.248 C=CCCCSC/C=C/C(=O)OC 62a_100000742655_100000757094 [0,2,0,0,0,0|0,0,2]=4 5119 B12R0.248 C=CCCCSC/C=C/C(=O)OC 62a_100011713584_100000742655 [0,2,0,0,0,0|0,0,2]=4 5120 B12R0.248 CC#CCCOC/C=C/C(=O)OC 34a_100000750427_100000742655 [0,2,0,0,0,0|0,0,2]=4 5121 B12R0.248 CC/C=C\COC/C=C/C(=O)OC 34a_100016268518_100000742655 [0,2,0,0,0,0|0,0,2]=4 5122 B12R0.248 CC/C=C\CSC/C=C/C(=O)OC 62a_100000742655_100103147603 [0,2,0,0,0,0|0,0,2]=4 5123 B12R0.248 CC/C=C\CSC/C=C/C(=O)OC 62a_100103147603_100000742655 [0,2,0,0,0,0|0,0,2]=4 5124 B12R0.248 CCC#CCOC/C=C/C(=O)OC 34a_100000032950_100000742655 [0,2,0,0,0,0|0,0,2]=4 5125 B12R0.248 CCC#CCSC/C=C/C(=O)OC 62a_100000742655_100009813939 [0,2,0,0,0,0|0,0,2]=4 5126 B12R0.248 CCC#CCSC/C=C/C(=O)OC 62a_100009813939_100000742655 [0,2,0,0,0,0|0,0,2]=4 5127 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [0,2,0,0,0,0|0,0,2]=4 5128 B12R0.248 CCC(=O)COCCCCCCBr 7a_100011215345_100000747405 [0,2,0,0,0,0|1,0,1]=4 5129 B12R0.248 CCC(=O)COCCCCCCCl 7a_100000766143_100000747405 [0,2,0,0,0,0|1,0,1]=4 5130 B12R0.248 CCC(=O)COCCCCCCF 34a_100000725409_100015922095 [0,2,0,0,0,0|1,0,1]=4 5131 B12R0.248 CCC(=O)COCCCCCCF 7a_100000732779_100000747405 [0,2,0,0,0,0|1,0,1]=4 5132 B12R0.248 CCC(=O)COCCCCCCO 34a_100000725409_100000766143 [0,2,0,0,0,0|1,0,1]=4 5133 B12R0.248 CCC(=O)CSCCCCCCF 62a_100000747405_100015922095 [0,2,0,0,0,0|1,0,1]=4 5134 B12R0.248 CCC(=O)CSCCCCCCF 62a_100015922095_100000747405 [0,2,0,0,0,0|1,0,1]=4 5135 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000747405_100000766143 [0,2,0,0,0,0|1,0,1]=4 5136 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000766143_100000747405 [0,2,0,0,0,0|1,0,1]=4 5137 B12R0.248 CCC(=O)NCCCCCCCO 240690a_100011996573_100000210414 [0,2,0,0,0,0|1,0,1]=4 5138 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [0,2,0,0,0,0|0,0,2]=4 5139 B12R0.248 CCCCC/C=C/CCC(=O)CF 1458a_200015255902_100015361967 [0,2,0,0,0,0|0,0,2]=4 5140 B12R0.248 CCCCC/C=C/CCC(=O)NC 11a_106832991635_200015255902 [0,2,0,0,0,0|0,0,2]=4 5141 B12R0.248 CCCCC/C=C/CCC(=O)NC 1626a_100102657272_200015255902 [0,2,0,0,0,0|0,0,2]=4 5142 B12R0.248 CCCCC/C=C/CCC(=O)NC 240690a_100102657272_200015255902 [0,2,0,0,0,0|0,0,2]=4 5143 B12R0.248 CCCCC/C=C/CCC(=O)NC 527a_100102657272_200015255902 [0,2,0,0,0,0|0,0,2]=4 5144 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [0,2,0,0,0,0|0,0,0]=2 5145 B12R0.248 CCCCCC/C=C/CC(=O)CF 1458a_100020681715_100015361967 [0,2,0,0,0,0|0,0,0]=2 5146 B12R0.248 CCCCCC/C=C/CC(=O)NC 11a_106832991635_100020681715 [0,2,0,0,0,0|0,0,0]=2 5147 B12R0.248 CCCCCC/C=C/CC(=O)NC 1626a_100102657272_100020681715 [0,2,0,0,0,0|0,0,0]=2 5148 B12R0.248 CCCCCC/C=C/CC(=O)NC 240690a_100102657272_100020681715 [0,2,0,0,0,0|0,0,0]=2 5149 B12R0.248 CCCCCCC=NNC(=O)CC 4a_100000183195_100000234349 [0,2,0,0,0,0|1,0,0]=3 5150 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [0,2,0,0,0,0|0,0,0]=2 5151 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [0,2,0,0,0,0|0,0,0]=2 5152 B12R0.248 CCCCCCCC=CC(=O)NC 11a_106832991635_200015332781 [0,2,0,0,0,0|0,0,0]=2 5153 B12R0.248 CCCCCCCC=CC(=O)NC 1626a_100102657272_200015332781 [0,2,0,0,0,0|0,0,0]=2 5154 B12R0.248 CCCCCCCC=CC(=O)NC 240690a_100102657272_200015332781 [0,2,0,0,0,0|0,0,0]=2 5155 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,2,0,0,0,0|0,0,2]=4 5156 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,2,0,0,0,0|0,0,2]=4 5157 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [0,2,0,0,0,0|0,0,2]=4 5158 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [0,2,0,0,0,0|0,0,2]=4 5159 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [0,2,0,0,0,0|0,0,2]=4 5160 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [0,2,0,0,0,0|0,0,2]=4 5161 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [0,2,0,0,0,0|0,0,2]=4 5162 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [0,2,0,0,0,0|0,0,2]=4 5163 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [0,2,0,0,0,0|0,0,2]=4 5164 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [0,2,0,0,0,0|0,0,2]=4 5165 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [0,2,0,0,0,0|0,0,2]=4 5166 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [0,2,0,0,0,0|0,0,2]=4 5167 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [0,2,0,0,0,0|0,0,2]=4 5168 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [0,2,0,0,0,0|0,0,2]=4 5169 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100000229939_106832991635 [0,2,0,0,0,0|0,0,2]=4 5170 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100102657272_100000229939 [0,2,0,0,0,0|0,0,2]=4 5171 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100000229939_100102657272 [0,2,0,0,0,0|0,0,2]=4 5172 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100102657272_100000229939 [0,2,0,0,0,0|0,0,2]=4 5173 B12R0.248 CCCCCCCCNC(=O)NC 512a_100000229939_100102657272 [0,2,0,0,0,0|0,0,2]=4 5174 B12R0.248 CCCCCCCCNC(=O)NC 512a_106832991638_100000229939 [0,2,0,0,0,0|0,0,2]=4 5175 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000229938_100000183359 [0,2,0,0,0,0|0,0,2]=4 5176 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000693194_100000210681 [0,2,0,0,0,0|0,0,2]=4 5177 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [0,2,0,0,0,0|0,0,2]=4 5178 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [0,2,0,0,0,0|0,0,2]=4 5179 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [0,2,0,0,0,0|0,0,2]=4 5180 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000210272_100000183359 [0,2,0,0,0,0|0,0,2]=4 5181 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000750040_100000210614 [0,2,0,0,0,0|0,0,2]=4 5182 B12R0.248 CCCCCCCOCC(=O)NC 7a_100000210272_100000183359 [0,2,0,0,0,0|0,0,2]=4 5183 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [0,2,0,0,0,0|0,0,2]=4 5184 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [0,2,0,0,0,0|0,0,2]=4 5185 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [0,2,0,0,0,0|0,0,2]=4 5186 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [0,2,0,0,0,0|0,0,2]=4 5187 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000183359_100000210316 [0,2,0,0,0,0|0,0,2]=4 5188 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000210614_100000183359 [0,2,0,0,0,0|0,0,2]=4 5189 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [0,2,0,0,0,0|0,0,2]=4 5190 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [0,2,0,0,0,0|0,0,2]=4 5191 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000210581_100000737683 [0,2,0,0,0,0|0,0,2]=4 5192 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000738227_100000210314 [0,2,0,0,0,0|0,0,2]=4 5193 B12R0.248 CCCCCCNCCC(=O)NC 34a_100000738227_100000210314 [0,2,0,0,0,0|0,0,2]=4 5194 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [0,2,0,0,0,0|0,0,2]=4 5195 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000210259_100012179268 [0,2,0,0,0,0|0,0,2]=4 5196 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000754576_100000210314 [0,2,0,0,0,0|0,0,2]=4 5197 B12R0.248 CCCCCCOCCC(=O)NC 7a_100000210259_100000737683 [0,2,0,0,0,0|0,0,2]=4 5198 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [0,2,0,0,0,0|0,0,2]=4 5199 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [0,2,0,0,0,0|0,0,2]=4 5200 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000210314_100000737683 [0,2,0,0,0,0|0,0,2]=4 5201 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000737683_100000210757 [0,2,0,0,0,0|0,0,2]=4 5202 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [0,2,0,0,0,0|0,0,2]=4 5203 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [0,2,0,0,0,0|0,0,2]=4 5204 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [0,2,0,0,0,0|1,0,1]=4 5205 B12R0.248 CCCCCNC/C=C/C(=O)OC 2230a_100000209983_100000742655 [0,2,0,0,0,0|0,0,0]=2 5206 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000209983_100000741757 [0,2,0,0,0,0|0,0,2]=4 5207 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000740002_100000210326 [0,2,0,0,0,0|0,0,2]=4 5208 B12R0.248 CCCCCNCCCC(=O)NC 34a_100000740002_100000718602 [0,2,0,0,0,0|0,0,2]=4 5209 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [0,2,0,0,0,0|0,0,2]=4 5210 B12R0.248 CCCCCNCCNC(=O)CC 34a_100132302217_100000718602 [0,2,0,0,0,0|1,0,1]=4 5211 B12R0.248 CCCCCNCCNC(=O)NC 34a_100015205895_100000718602 [0,2,0,0,0,0|1,0,1]=4 5212 B12R0.248 CCCCCNN=CCC(=O)OC 4a_100000694160_200011552997 [0,2,0,0,0,0|1,0,1]=4 5213 B12R0.248 CCCCCOC/C=C/C(=O)OC 34a_100000210253_100000742655 [0,2,0,0,0,0|0,0,0]=2 5214 B12R0.248 CCCCCOC/C=C/C(=O)OC 7a_100000210253_100000742655 [0,2,0,0,0,0|0,0,0]=2 5215 B12R0.248 CCCCCOCCCC(=O)NC 34a_100000210253_100000741757 [0,2,0,0,0,0|0,0,2]=4 5216 B12R0.248 CCCCCOCCCC(=O)NC 7a_100000210253_100000741757 [0,2,0,0,0,0|0,0,2]=4 5217 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [0,2,0,0,0,0|0,0,2]=4 5218 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [0,2,0,0,0,0|0,0,2]=4 5219 B12R0.248 CCCCCOCCNC(=O)CC 34a_200000158885_100000718602 [0,2,0,0,0,0|1,0,1]=4 5220 B12R0.248 CCCCCOCCNC(=O)CC 7a_200000158885_100000210326 [0,2,0,0,0,0|1,0,1]=4 5221 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [0,2,0,0,0,0|1,0,1]=4 5222 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [0,2,0,0,0,0|1,0,1]=4 5223 B12R0.248 CCCCCOCCOC(=O)NC 34a_100000210253_200011997002 [0,2,0,0,0,0|1,0,1]=4 5224 B12R0.248 CCCCCOCCOC(=O)NC 7a_100000210253_200011997002 [0,2,0,0,0,0|1,0,1]=4 5225 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [0,2,0,0,0,0|1,0,1]=4 5226 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000210326_100000742655 [0,2,0,0,0,0|0,0,0]=2 5227 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210326 [0,2,0,0,0,0|0,0,0]=2 5228 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000210326_100000741757 [0,2,0,0,0,0|0,0,2]=4 5229 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000741757_100000210326 [0,2,0,0,0,0|0,0,2]=4 5230 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [0,2,0,0,0,0|0,0,2]=4 5231 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [0,2,0,0,0,0|0,0,2]=4 5232 B12R0.248 CCCCCSCCOC(=O)NC 62a_100000210326_200011997002 [0,2,0,0,0,0|1,0,1]=4 5233 B12R0.248 CCCCCSCCOC(=O)NC 62a_200011997002_100000210326 [0,2,0,0,0,0|1,0,1]=4 5234 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [0,2,0,0,0,0|0,0,2]=4 5235 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [0,2,0,0,0,0|0,0,2]=4 5236 B12R0.248 CCCCNCCOCC(=O)OC 2230a_100000102301_100000090808 [0,2,0,0,0,0|1,0,1]=4 5237 B12R0.248 CCCCNCCOCC(=O)OC 7a_106832991798_100000090808 [0,2,0,0,0,0|1,0,1]=4 5238 B12R0.248 CCCCNN=CC=CC(=O)OC 4a_100025702795_100016254430 [0,2,0,0,0,0|1,0,1]=4 5239 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [0,2,0,0,0,0|0,0,2]=4 5240 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [0,2,0,0,0,0|0,0,2]=4 5241 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [0,2,0,0,0,0|0,0,2]=4 5242 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [0,2,0,0,0,0|0,0,2]=4 5243 B12R0.248 CCCCOCCCNC(=O)CC 1626a_200000211371_100000210414 [0,2,0,0,0,0|1,0,1]=4 5244 B12R0.248 CCCCOCCCNC(=O)CC 240690a_200000211371_100000210414 [0,2,0,0,0,0|1,0,1]=4 5245 B12R0.248 CCCCOCCCNC(=O)CC 527a_200000211371_100000210414 [0,2,0,0,0,0|1,0,1]=4 5246 B12R0.248 CCCCOCCCNC(=O)CO 240690a_200000211371_100000210174 [0,2,0,0,0,0|1,0,1]=4 5247 B12R0.248 CCCCOCCCNC(=O)CO 527a_200000211371_100000210174 [0,2,0,0,0,0|1,0,1]=4 5248 B12R0.248 CCCCOCCCNC(=O)NC 2708a_100102657272_200000211371 [0,2,0,0,0,0|1,0,1]=4 5249 B12R0.248 CCCCOCCCNC(=O)NC 2708a_200000211371_106832991635 [0,2,0,0,0,0|1,0,1]=4 5250 B12R0.248 CCCCOCCCNC(=O)NC 273464a_100102657272_200000211371 [0,2,0,0,0,0|1,0,1]=4 5251 B12R0.248 CCCCOCCCNC(=O)NC 273464a_200000211371_100102657272 [0,2,0,0,0,0|1,0,1]=4 5252 B12R0.248 CCCCOCCCNC(=O)NC 512a_106832991638_200000211371 [0,2,0,0,0,0|1,0,1]=4 5253 B12R0.248 CCCCOCCCNC(=O)NC 512a_200000211371_100102657272 [0,2,0,0,0,0|1,0,1]=4 5254 B12R0.248 CCCCOCCNCC(=O)NC 2230a_100000693194_100000743108 [0,2,0,0,0,0|1,0,1]=4 5255 B12R0.248 CCCCOCCOCC(=O)CC 1458a_100011216887_100000210202 [0,2,0,0,0,0|1,0,1]=4 5256 B12R0.248 CCCCOCCOCC(=O)CC 34a_100000725409_100000743108 [0,2,0,0,0,0|1,0,1]=4 5257 B12R0.248 CCCCOCCOCC(=O)CC 7a_100000210238_100000747405 [0,2,0,0,0,0|1,0,1]=4 5258 B12R0.248 CCCCOCCOCC(=O)CF 1458a_100011216887_100015361967 [0,2,0,0,0,0|1,0,1]=4 5259 B12R0.248 CCCCOCCOCC(=O)NC 11a_106832991635_100011216887 [0,2,0,0,0,0|1,0,1]=4 5260 B12R0.248 CCCCOCCOCC(=O)NC 1626a_100102657272_100011216887 [0,2,0,0,0,0|1,0,1]=4 5261 B12R0.248 CCCCOCCOCC(=O)NC 240690a_100102657272_100011216887 [0,2,0,0,0,0|1,0,1]=4 5262 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000210238_100000183359 [0,2,0,0,0,0|1,0,1]=4 5263 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000750040_100000743108 [0,2,0,0,0,0|1,0,1]=4 5264 B12R0.248 CCCCOCCOCC(=O)NC 527a_100102657272_100011216887 [0,2,0,0,0,0|1,0,1]=4 5265 B12R0.248 CCCCOCCOCC(=O)NC 7a_100000210238_100000183359 [0,2,0,0,0,0|1,0,1]=4 5266 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210227_100000090808 [0,2,0,0,0,0|1,0,1]=4 5267 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210238_100000747449 [0,2,0,0,0,0|1,0,1]=4 5268 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210227_100000090808 [0,2,0,0,0,0|1,0,1]=4 5269 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210238_100000747449 [0,2,0,0,0,0|1,0,1]=4 5270 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000743108_100000747405 [0,2,0,0,0,0|1,0,1]=4 5271 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000747405_100000743108 [0,2,0,0,0,0|1,0,1]=4 5272 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000183359_100000743108 [0,2,0,0,0,0|1,0,1]=4 5273 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000743108_100000183359 [0,2,0,0,0,0|1,0,1]=4 5274 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000743108_100000747449 [0,2,0,0,0,0|1,0,1]=4 5275 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000747449_100000743108 [0,2,0,0,0,0|1,0,1]=4 5276 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [0,2,0,0,0,0|0,0,2]=4 5277 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [0,2,0,0,0,0|0,0,2]=4 5278 B12R0.248 CCCCSCCNCC(=O)NC 2230a_100025743550_100000183359 [0,2,0,0,0,0|1,0,1]=4 5279 B12R0.248 CCCCSCCNCC(=O)OC 2230a_100025743550_100000747449 [0,2,0,0,0,0|1,0,1]=4 5280 B12R0.248 CCCCSCCOCC(=O)CC 7a_200000230436_100000747405 [0,2,0,0,0,0|1,0,1]=4 5281 B12R0.248 CCCCSCCOCC(=O)NC 34a_200000230436_100000183359 [0,2,0,0,0,0|1,0,1]=4 5282 B12R0.248 CCCCSCCOCC(=O)NC 7a_200000230436_100000183359 [0,2,0,0,0,0|1,0,1]=4 5283 B12R0.248 CCCCSCCOCC(=O)OC 34a_200000230436_100000747449 [0,2,0,0,0,0|1,0,1]=4 5284 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000090808_100000210210 [0,2,0,0,0,0|1,0,1]=4 5285 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000210211_100000090808 [0,2,0,0,0,0|1,0,1]=4 5286 B12R0.248 CCCCSCCOCC(=O)OC 7a_200000230436_100000747449 [0,2,0,0,0,0|1,0,1]=4 5287 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [0,2,0,0,0,0|0,0,2]=4 5288 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [0,2,0,0,0,0|0,0,2]=4 5289 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [0,2,0,0,0,0|0,0,2]=4 5290 B12R0.248 CCCOCCCNCC(=O)NC 2230a_100011217757_100000183359 [0,2,0,0,0,0|1,0,1]=4 5291 B12R0.248 CCCOCCCNCC(=O)NC 34a_100011217757_100000183359 [0,2,0,0,0,0|1,0,1]=4 5292 B12R0.248 CCCOCCCNCC(=O)OC 2230a_100011217757_100000747449 [0,2,0,0,0,0|1,0,1]=4 5293 B12R0.248 CCCOCCCNCC(=O)OC 34a_100011217757_100000747449 [0,2,0,0,0,0|1,0,1]=4 5294 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [0,2,0,0,0,0|0,0,2]=4 5295 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [0,2,0,0,0,0|0,0,2]=4 5296 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [0,2,0,0,0,0|0,0,2]=4 5297 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [0,2,0,0,0,0|0,0,2]=4 5298 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [0,2,0,0,0,0|0,0,2]=4 5299 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [0,2,0,0,0,0|0,0,2]=4 5300 B12R0.248 CCOCCNC/C=C/C(=O)OC 2230a_102516460346_100000742655 [0,2,0,0,0,0|1,0,0]=3 5301 B12R0.248 CCOCCNC/C=C/C(=O)OC 34a_102516460346_100000742655 [0,2,0,0,0,0|1,0,0]=3 5302 B12R0.248 CCOCCOC/C=C/C(=O)OC 34a_100000210136_100000742655 [0,2,0,0,0,0|1,0,0]=3 5303 B12R0.248 CCOCCOC/C=C/C(=O)OC 7a_100000210136_100000742655 [0,2,0,0,0,0|1,0,0]=3 5304 B12R0.248 CCOCCSC/C=C/C(=O)OC 62a_100000210147_100000742655 [0,2,0,0,0,0|1,0,0]=3 5305 B12R0.248 CCOCCSC/C=C/C(=O)OC 62a_100000742655_100011215890 [0,2,0,0,0,0|1,0,0]=3 5306 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [0,2,0,0,0,0|0,0,2]=4 5307 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [0,2,0,0,0,0|0,0,2]=4 5308 B12R0.248 CCSCCNC/C=C/C(=O)OC 2230a_100000106463_100000742655 [0,2,0,0,0,0|1,0,0]=3 5309 B12R0.248 CCSCCOC/C=C/C(=O)OC 34a_100000212035_100000742655 [0,2,0,0,0,0|1,0,0]=3 5310 B12R0.248 CCSCCOC/C=C/C(=O)OC 7a_100000212035_100000742655 [0,2,0,0,0,0|1,0,0]=3 5311 B12R0.248 CCSCCSC/C=C/C(=O)OC 62a_100000742655_100000757381 [0,2,0,0,0,0|1,0,0]=3 5312 B12R0.248 CCSCCSC/C=C/C(=O)OC 62a_100000757381_100000742655 [0,2,0,0,0,0|1,0,0]=3 5313 B12R0.248 CNC(=O)CCCCCCCCO 240690a_100102657272_100000015970 [0,2,0,0,0,0|0,0,2]=4 5314 B12R0.248 CNC(=O)CNCCCCCCF 2230a_100000693194_100015922095 [0,2,0,0,0,0|1,0,1]=4 5315 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000686447_100000183359 [0,2,0,0,0,0|1,0,1]=4 5316 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000693194_100000766143 [0,2,0,0,0,0|1,0,1]=4 5317 B12R0.248 CNC(=O)CNCCCCCCO 34a_100000686447_100000183359 [0,2,0,0,0,0|1,0,1]=4 5318 B12R0.248 CNC(=O)CNCCCCCOC 2230a_100000747528_100000183359 [0,2,0,0,0,0|1,0,1]=4 5319 B12R0.248 CNC(=O)CNCCCCCOC 34a_100000747528_100000183359 [0,2,0,0,0,0|1,0,1]=4 5320 B12R0.248 CNC(=O)COCCCCCCBr 34a_100011215345_100000183359 [0,2,0,0,0,0|1,0,1]=4 5321 B12R0.248 CNC(=O)COCCCCCCBr 7a_100011215345_100000183359 [0,2,0,0,0,0|1,0,1]=4 5322 B12R0.248 CNC(=O)COCCCCCCCl 34a_100000766143_100000183359 [0,2,0,0,0,0|1,0,1]=4 5323 B12R0.248 CNC(=O)COCCCCCCCl 7a_100000766143_100000183359 [0,2,0,0,0,0|1,0,1]=4 5324 B12R0.248 CNC(=O)COCCCCCCF 34a_100000732779_100000183359 [0,2,0,0,0,0|1,0,1]=4 5325 B12R0.248 CNC(=O)COCCCCCCF 34a_100000750040_100015922095 [0,2,0,0,0,0|1,0,1]=4 5326 B12R0.248 CNC(=O)COCCCCCCF 7a_100000732779_100000183359 [0,2,0,0,0,0|1,0,1]=4 5327 B12R0.248 CNC(=O)COCCCCCCN 34a_100000686447_100000183359 [0,2,0,0,0,0|1,0,1]=4 5328 B12R0.248 CNC(=O)COCCCCCCO 34a_100000750040_100000766143 [0,2,0,0,0,0|1,0,1]=4 5329 B12R0.248 CNC(=O)CSCCCCCCF 62a_100000183359_100015922095 [0,2,0,0,0,0|1,0,1]=4 5330 B12R0.248 CNC(=O)CSCCCCCCF 62a_100015922095_100000183359 [0,2,0,0,0,0|1,0,1]=4 5331 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000183359_100000766143 [0,2,0,0,0,0|1,0,1]=4 5332 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000766143_100000183359 [0,2,0,0,0,0|1,0,1]=4 5333 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100011996573_106832991635 [0,2,0,0,0,0|1,0,1]=4 5334 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100102657272_100011996573 [0,2,0,0,0,0|1,0,1]=4 5335 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100011996573_100102657272 [0,2,0,0,0,0|1,0,1]=4 5336 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100102657272_100011996573 [0,2,0,0,0,0|1,0,1]=4 5337 B12R0.248 CNC(=O)NCCCCCCCO 512a_100011996573_100102657272 [0,2,0,0,0,0|1,0,1]=4 5338 B12R0.248 CNC(=O)NCCCCCCCO 512a_106832991638_100011996573 [0,2,0,0,0,0|1,0,1]=4 5339 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [0,2,0,0,0,0|0,0,2]=4 5340 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [0,2,0,0,0,0|0,0,2]=4 5341 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [0,2,0,0,0,0|0,0,2]=4 5342 B12R0.248 CNCCCCCOCC(=O)NC 34a_100000722520_100000183359 [0,2,0,0,0,0|1,0,1]=4 5343 B12R0.248 CNCCCCCOCC(=O)OC 34a_100000722520_100000747449 [0,2,0,0,0,0|1,0,1]=4 5344 B12R0.248 CNCCCOC/C=C/C(=O)OC 34a_100000213112_100000742655 [0,2,0,0,0,0|1,0,0]=3 5345 B12R0.248 COC(=O)/C=C/CNCCCCO 2230a_100000750430_100000742655 [0,2,0,0,0,0|1,0,0]=3 5346 B12R0.248 COC(=O)/C=C/CNCCCCO 34a_100000750430_100000742655 [0,2,0,0,0,0|1,0,0]=3 5347 B12R0.248 COC(=O)/C=C/CNCCCSC 2230a_100000749238_100000742655 [0,2,0,0,0,0|1,0,0]=3 5348 B12R0.248 COC(=O)/C=C/COCCCCBr 34a_100011216708_100000742655 [0,2,0,0,0,0|1,0,0]=3 5349 B12R0.248 COC(=O)/C=C/COCCCCCl 34a_100000210776_100000742655 [0,2,0,0,0,0|1,0,0]=3 5350 B12R0.248 COC(=O)/C=C/COCCCCCl 7a_100000210776_100000742655 [0,2,0,0,0,0|1,0,0]=3 5351 B12R0.248 COC(=O)/C=C/COCCCCF 34a_100011995726_100000742655 [0,2,0,0,0,0|1,0,0]=3 5352 B12R0.248 COC(=O)/C=C/COCCCCF 7a_100011995726_100000742655 [0,2,0,0,0,0|1,0,0]=3 5353 B12R0.248 COC(=O)/C=C/COCCCCI 34a_200012148704_100000742655 [0,2,0,0,0,0|1,0,0]=3 5354 B12R0.248 COC(=O)/C=C/COCCCCN 34a_100000750430_100000742655 [0,2,0,0,0,0|1,0,0]=3 5355 B12R0.248 COC(=O)/C=C/COCCCSC 34a_100000690336_100000742655 [0,2,0,0,0,0|1,0,0]=3 5356 B12R0.248 COC(=O)/C=C/COCCCSC 7a_100000690336_100000742655 [0,2,0,0,0,0|1,0,0]=3 5357 B12R0.248 COC(=O)/C=C/CSCCCC#N 62a_100000687738_100000742655 [0,2,0,0,0,0|1,0,1]=4 5358 B12R0.248 COC(=O)/C=C/CSCCCC#N 62a_100000742655_100000687738 [0,2,0,0,0,0|1,0,1]=4 5359 B12R0.248 COC(=O)/C=C/CSCCCC=O 62a_100000742655_200011292268 [0,2,0,0,0,0|1,0,1]=4 5360 B12R0.248 COC(=O)/C=C/CSCCCC=O 62a_200011292268_100000742655 [0,2,0,0,0,0|1,0,1]=4 5361 B12R0.248 COC(=O)/C=C/CSCCCCF 62a_100000729493_100000742655 [0,2,0,0,0,0|1,0,0]=3 5362 B12R0.248 COC(=O)/C=C/CSCCCCF 62a_100000742655_100000729493 [0,2,0,0,0,0|1,0,0]=3 5363 B12R0.248 COC(=O)/C=C/CSCCCCO 62a_100000210776_100000742655 [0,2,0,0,0,0|1,0,0]=3 5364 B12R0.248 COC(=O)/C=C/CSCCCCO 62a_100000742655_100000210776 [0,2,0,0,0,0|1,0,0]=3 5365 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [0,2,0,0,0,0|0,0,2]=4 5366 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [0,2,0,0,0,0|0,0,2]=4 5367 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [0,2,0,0,0,0|0,0,2]=4 5368 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [0,2,0,0,0,0|0,0,2]=4 5369 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [0,2,0,0,0,0|0,0,2]=4 5370 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [0,2,0,0,0,0|0,0,2]=4 5371 B12R0.248 COC(=O)CNCCCCCCO 2230a_100000686447_100000747449 [0,2,0,0,0,0|1,0,1]=4 5372 B12R0.248 COC(=O)CNCCCCCCO 34a_100000686447_100000747449 [0,2,0,0,0,0|1,0,1]=4 5373 B12R0.248 COC(=O)COCCCCCCBr 34a_100011215345_100000747449 [0,2,0,0,0,0|1,0,1]=4 5374 B12R0.248 COC(=O)COCCCCCCBr 7a_100011215345_100000747449 [0,2,0,0,0,0|1,0,1]=4 5375 B12R0.248 COC(=O)COCCCCCCCl 34a_100000766143_100000747449 [0,2,0,0,0,0|1,0,1]=4 5376 B12R0.248 COC(=O)COCCCCCCCl 7a_100000766143_100000747449 [0,2,0,0,0,0|1,0,1]=4 5377 B12R0.248 COC(=O)COCCCCCCF 34a_100000732779_100000747449 [0,2,0,0,0,0|1,0,1]=4 5378 B12R0.248 COC(=O)COCCCCCCF 7a_100000732779_100000747449 [0,2,0,0,0,0|1,0,1]=4 5379 B12R0.248 COC(=O)COCCCCCCN 34a_100000686447_100000747449 [0,2,0,0,0,0|1,0,1]=4 5380 B12R0.248 COC(=O)CSCCCCCCF 62a_100000747449_100015922095 [0,2,0,0,0,0|1,0,1]=4 5381 B12R0.248 COC(=O)CSCCCCCCF 62a_100015922095_100000747449 [0,2,0,0,0,0|1,0,1]=4 5382 B12R0.248 COC(=O)CSCCCCCCO 62a_100000747449_100000766143 [0,2,0,0,0,0|1,0,1]=4 5383 B12R0.248 COC(=O)CSCCCCCCO 62a_100000766143_100000747449 [0,2,0,0,0,0|1,0,1]=4 5384 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [0,2,0,0,0,0|0,0,2]=4 5385 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [0,2,0,0,0,0|0,0,2]=4 5386 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [0,2,0,0,0,0|0,0,2]=4 5387 B12R0.248 COCCCCCNCC(=O)OC 2230a_100000747528_100000747449 [0,2,0,0,0,0|1,0,1]=4 5388 B12R0.248 COCCCCCNCC(=O)OC 34a_100000747528_100000747449 [0,2,0,0,0,0|1,0,1]=4 5389 B12R0.248 COCCCNC/C=C/C(=O)OC 34a_100150723488_100000742655 [0,2,0,0,0,0|1,0,0]=3 5390 B12R0.248 COCCCOC/C=C/C(=O)OC 34a_100000740835_100000742655 [0,2,0,0,0,0|1,0,0]=3 5391 B12R0.248 COCCCSC/C=C/C(=O)OC 62a_100000709357_100000742655 [0,2,0,0,0,0|1,0,0]=3 5392 B12R0.248 COCCCSC/C=C/C(=O)OC 62a_100000742655_100000709357 [0,2,0,0,0,0|1,0,0]=3 5393 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [0,2,0,0,0,0|0,0,2]=4 5394 B12R0.248 O=C(CO)NCCCCCCCO 240690a_100011996573_100000210174 [0,2,0,0,0,0|1,0,1]=4 5395 B12R0.251 C=C(C)C(=O)CCCCCCCC 1458a_100000185857_100000210759 [0,2,0,0,0,0|0,0,2]=4 5396 B12R0.251 C=C(C)C(=O)CCCCCCCO 1458a_100000185857_100000760002 [0,2,0,0,0,0|1,0,1]=4 5397 B12R0.251 C=C(C)C(=O)CCCCCCOC 1458a_100000185857_100011998445 [0,2,0,0,0,0|1,0,1]=4 5398 B12R0.251 C=C(C)C(=O)NCCCCCCC 11a_100000229938_100000185857 [0,2,0,0,0,0|1,0,1]=4 5399 B12R0.251 C=C(C)C(=O)NCCCCCCC 1626a_100000229938_100000185857 [0,2,0,0,0,0|1,0,1]=4 5400 B12R0.251 C=C(C)C(=O)NCCCCCOC 11a_100000747528_100000185857 [0,2,0,0,0,0|2,0,0]=4 5401 B12R0.251 C=C(C)C(=O)NCCCCCOC 1626a_100000747528_100000185857 [0,2,0,0,0,0|2,0,0]=4 5402 B12R0.251 C=C(C)C(=O)NCCCNCCC 2230a_100016987756_100000210303 [0,2,0,0,0,0|2,0,0]=4 5403 B12R0.251 C=C(C)C(=O)NCCCOCCC 1626a_100011217757_100000185857 [0,2,0,0,0,0|2,0,0]=4 5404 B12R0.251 C=C(C)C(=O)NCCNCCCC 2230a_100102636416_100000210211 [0,2,0,0,0,0|2,0,0]=4 5405 B12R0.251 C=C(C)C(=O)NCCSCCCC 11a_100025743550_100000185857 [0,2,0,0,0,0|2,0,0]=4 5406 B12R0.251 C=C(C)C(=O)NCCSCCCC 1626a_100025743550_100000185857 [0,2,0,0,0,0|2,0,0]=4 5407 B12R0.251 C=C(C)C(=O)OCCCCOCC 7a_100000065474_100000210202 [0,2,0,0,0,0|2,0,0]=4 5408 B12R0.251 C=C(C)C(=O)OCCCOCCC 7a_100000032641_100000210303 [0,2,0,0,0,0|2,0,0]=4 5409 B12R0.251 C=C(C)C(=O)OCCNCCCC 2230a_100000102301_100009816335 [0,2,0,0,0,0|2,0,0]=4 5410 B12R0.251 C=C(C)C(=O)OCCNCCCC 7a_106832991798_100009816335 [0,2,0,0,0,0|2,0,0]=4 5411 B12R0.251 C=C(C)C(=O)OCCOCCCC 34a_100000210227_100009816335 [0,2,0,0,0,0|2,0,0]=4 5412 B12R0.251 C=C(C)C(=O)OCCOCCCC 7a_100000210227_100009816335 [0,2,0,0,0,0|2,0,0]=4 5413 B12R0.251 C=C(C)C(=O)OCCSCCCC 62a_100000210211_100009816335 [0,2,0,0,0,0|2,0,0]=4 5414 B12R0.251 C=C(C)C(=O)OCCSCCCC 62a_100009816335_100000210210 [0,2,0,0,0,0|2,0,0]=4 5415 B12R0.251 CC(=O)C(=O)CNCCCCCO 34a_100000762737_100011261029 [0,2,0,0,0,0|1,0,1]=4 5416 B12R0.251 CC(=O)C(=O)COCCCCCBr 34a_100000746331_100011261029 [0,2,0,0,0,0|1,0,1]=4 5417 B12R0.251 CC(=O)C(=O)COCCCCCCl 34a_100000746330_100011261029 [0,2,0,0,0,0|1,0,1]=4 5418 B12R0.251 CC(=O)C(=O)COCCCCCI 34a_200012148887_100011261029 [0,2,0,0,0,0|1,0,1]=4 5419 B12R0.251 CC(=O)C(=O)COCCCCCN 34a_100000762737_100011261029 [0,2,0,0,0,0|1,0,1]=4 5420 B12R0.251 CC(=O)C(=O)CSCCCCCF 62a_100000729378_100011261029 [0,2,0,0,0,0|1,0,1]=4 5421 B12R0.251 CC(=O)C(=O)CSCCCCCF 62a_100011261029_100000729378 [0,2,0,0,0,0|1,0,1]=4 5422 B12R0.251 CC(=O)C(=O)CSCCCCCO 62a_100000746330_100011261029 [0,2,0,0,0,0|1,0,1]=4 5423 B12R0.251 CC(=O)C(=O)CSCCCCCO 62a_100011261029_100000746330 [0,2,0,0,0,0|1,0,1]=4 5424 B12R0.251 CC(=O)C(C)NCCCCCCO 2230a_100000686447_100009814033 [0,2,0,0,0,0|1,0,1]=4 5425 B12R0.251 CC(=O)C(C)OCCCCCCBr 7a_100011215345_100000179758 [0,2,0,0,0,0|1,0,1]=4 5426 B12R0.251 CC(=O)C(C)OCCCCCCCl 7a_100000766143_100000179758 [0,2,0,0,0,0|1,0,1]=4 5427 B12R0.251 CC(=O)C(C)OCCCCCCF 34a_100000212229_100015922095 [0,2,0,0,0,0|1,0,1]=4 5428 B12R0.251 CC(=O)C(C)OCCCCCCF 7a_100000732779_100000179758 [0,2,0,0,0,0|1,0,1]=4 5429 B12R0.251 CC(=O)C(C)OCCCCCCO 34a_100000212229_100000766143 [0,2,0,0,0,0|1,0,1]=4 5430 B12R0.251 CC(=O)C(C)SCCCCCCF 62a_100009814033_100015922095 [0,2,0,0,0,0|1,0,1]=4 5431 B12R0.251 CC(=O)C(C)SCCCCCCF 62a_100015922095_100009814033 [0,2,0,0,0,0|1,0,1]=4 5432 B12R0.251 CC(=O)C(C)SCCCCCCO 62a_100000766143_100009814033 [0,2,0,0,0,0|1,0,1]=4 5433 B12R0.251 CC(=O)C(C)SCCCCCCO 62a_100009814033_100000766143 [0,2,0,0,0,0|1,0,1]=4 5434 B12R0.251 CCCCC/C=C/CC(=O)C(C)C 1458a_100020675968_100000210206 [0,2,0,0,0,0|0,0,2]=4 5435 B12R0.251 CCCCC/C=C/CC(=O)N(C)C 11a_100102631434_100020675968 [0,2,0,0,0,0|0,0,2]=4 5436 B12R0.251 CCCCC/C=C/CC(=O)N(C)C 1626a_100102631434_100020675968 [0,2,0,0,0,0|0,0,2]=4 5437 B12R0.251 CCCCC/C=C/CC(=O)N(C)C 240690a_100102631434_100020675968 [0,2,0,0,0,0|0,0,2]=4 5438 B12R0.251 CCCCCCC=CC(=O)C(C)C 1458a_200015324643_100000210206 [0,2,0,0,0,0|0,0,0]=2 5439 B12R0.251 CCCCCCC=CC(=O)N(C)C 11a_100102631434_200015324643 [0,2,0,0,0,0|0,0,0]=2 5440 B12R0.251 CCCCCCC=CC(=O)N(C)C 1626a_100102631434_200015324643 [0,2,0,0,0,0|0,0,0]=2 5441 B12R0.251 CCCCCCC=CC(=O)N(C)C 240690a_100102631434_200015324643 [0,2,0,0,0,0|0,0,0]=2 5442 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210188_100000210206 [0,2,0,0,0,0|0,0,2]=4 5443 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210759 [0,2,0,0,0,0|0,0,2]=4 5444 B12R0.251 CCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210759 [0,2,0,0,0,0|0,0,2]=4 5445 B12R0.251 CCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210759 [0,2,0,0,0,0|0,0,2]=4 5446 B12R0.251 CCCCCCCCC(=O)N(C)C 11a_100102631434_100000210188 [0,2,0,0,0,0|0,0,2]=4 5447 B12R0.251 CCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210188 [0,2,0,0,0,0|0,0,2]=4 5448 B12R0.251 CCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210188 [0,2,0,0,0,0|0,0,2]=4 5449 B12R0.251 CCCCCCCCC(=O)N(C)C 527a_100102631434_100000210188 [0,2,0,0,0,0|0,0,2]=4 5450 B12R0.251 CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210759 [0,2,0,0,0,0|0,0,2]=4 5451 B12R0.251 CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210759 [0,2,0,0,0,0|0,0,2]=4 5452 B12R0.251 CCCCCCCCC(O)C(=O)C 1458a_200011995895_200000210301 [0,2,0,0,0,0|0,0,2]=4 5453 B12R0.251 CCCCCCCCC(O)C(=O)[13CH3] 1458a_200011995895_200025704644 [0,2,0,0,0,0|0,0,2]=4 5454 B12R0.251 CCCCCCCCN(C)C(=O)C 11a_100000207567_100015343762 [0,2,0,0,0,0|0,0,2]=4 5455 B12R0.251 CCCCCCCCN(C)C(=O)C 1626a_100000207567_100015343762 [0,2,0,0,0,0|0,0,2]=4 5456 B12R0.251 CCCCCCCCN(C)C(=O)C 240690a_100000207567_100015343762 [0,2,0,0,0,0|0,0,2]=4 5457 B12R0.251 CCCCCCCCN(C)C(=O)C 527a_100000207567_100103153847 [0,2,0,0,0,0|0,0,2]=4 5458 B12R0.251 CCCCCCCNC(=O)C(=O)N 240690a_100000229938_100011215815 [0,2,0,0,0,0|1,0,1]=4 5459 B12R0.251 CCCCCCCNC(=O)C(C)C 11a_100000229938_100000210198 [0,2,0,0,0,0|1,0,1]=4 5460 B12R0.251 CCCCCCCNC(=O)C(C)C 1626a_100000229938_100000210198 [0,2,0,0,0,0|1,0,1]=4 5461 B12R0.251 CCCCCCCNC(=O)C(C)C 240690a_100000229938_100000210198 [0,2,0,0,0,0|1,0,1]=4 5462 B12R0.251 CCCCCCCNC(=O)C(C)C 527a_100000229938_100000210198 [0,2,0,0,0,0|1,0,1]=4 5463 B12R0.251 CCCCCCCNC(=O)C(C)F 11a_100000229938_100000062450 [0,2,0,0,0,0|1,0,1]=4 5464 B12R0.251 CCCCCCCNC(=O)C(C)F 1626a_100000229938_100000062450 [0,2,0,0,0,0|1,0,1]=4 5465 B12R0.251 CCCCCCCNC(=O)C(C)F 240690a_100000229938_100000062450 [0,2,0,0,0,0|1,0,1]=4 5466 B12R0.251 CCCCCCCNC(=O)C(C)F 527a_100000229938_100000062450 [0,2,0,0,0,0|1,0,1]=4 5467 B12R0.251 CCCCCCCNC(=O)C(F)F 11a_100000229938_100000210393 [0,2,0,0,0,0|1,0,1]=4 5468 B12R0.251 CCCCCCCNC(=O)C(F)F 1626a_100000229938_100000210393 [0,2,0,0,0,0|1,0,1]=4 5469 B12R0.251 CCCCCCCNC(=O)C(F)F 240690a_100000229938_100000210393 [0,2,0,0,0,0|1,0,1]=4 5470 B12R0.251 CCCCCCCNC(=O)C(F)F 527a_100000229938_100000210393 [0,2,0,0,0,0|1,0,1]=4 5471 B12R0.251 CCCCCCCNC(=O)C(O)O 240690a_100000229938_100000233687 [0,2,0,0,0,0|1,0,1]=4 5472 B12R0.251 CCCCCCCNC(=O)N(C)C 2708a_100000229938_100102631434 [0,2,0,0,0,0|1,0,1]=4 5473 B12R0.251 CCCCCCCNC(=O)[C@@H](C)O 240690a_100000229938_100000717761 [0,2,0,0,0,0|1,0,1]=4 5474 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 1626a_100000229938_217856618621 [0,2,0,0,0,0|1,0,1]=4 5475 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 240690a_100000229938_217856618621 [0,2,0,0,0,0|1,0,1]=4 5476 B12R0.251 CCCCCCCNC(C)C(=O)C 2230a_100000229938_100009814033 [0,2,0,0,0,0|0,0,2]=4 5477 B12R0.251 CCCCCCCOC(C)C(=O)C 34a_100000212229_100000210614 [0,2,0,0,0,0|0,0,2]=4 5478 B12R0.251 CCCCCCCOC(C)C(=O)C 7a_100000210272_100000179758 [0,2,0,0,0,0|0,0,2]=4 5479 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100000210614_100009814033 [0,2,0,0,0,0|0,0,2]=4 5480 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100009814033_100000210316 [0,2,0,0,0,0|0,0,2]=4 5481 B12R0.251 CCCCCCNCC(=O)C(C)C 2230a_100000210581_100000753385 [0,2,0,0,0,0|1,0,1]=4 5482 B12R0.251 CCCCCCNCC(=O)N(C)C 2230a_100000210581_100000185267 [0,2,0,0,0,0|1,0,1]=4 5483 B12R0.251 CCCCCCNCC(=O)N(C)C 2230a_100015183351_100000210314 [0,2,0,0,0,0|1,0,1]=4 5484 B12R0.251 CCCCCCOCC(=O)C(=O)C 34a_100000210259_100011261029 [0,2,0,0,0,0|0,0,1]=3 5485 B12R0.251 CCCCCCOCC(=O)C(C)C 34a_100000210259_100000753385 [0,2,0,0,0,0|1,0,1]=4 5486 B12R0.251 CCCCCCOCC(=O)C(C)C 7a_100000210259_100000753385 [0,2,0,0,0,0|1,0,1]=4 5487 B12R0.251 CCCCCCOCC(=O)N(C)C 34a_100000210259_100000692301 [0,2,0,0,0,0|1,0,1]=4 5488 B12R0.251 CCCCCCOCC(=O)N(C)C 7a_100000210259_100000692301 [0,2,0,0,0,0|1,0,1]=4 5489 B12R0.251 CCCCCCOCC(C)C(=O)C 34a_100000032740_100000210314 [0,2,0,0,0,0|0,0,2]=4 5490 B12R0.251 CCCCCCOCC(C)C(=O)C 7a_100000032740_100000210314 [0,2,0,0,0,0|0,0,2]=4 5491 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100000210314_100011261029 [0,2,0,0,0,0|0,0,1]=3 5492 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210757 [0,2,0,0,0,0|0,0,1]=3 5493 B12R0.251 CCCCCCSCC(=O)C(C)C 62a_100000210314_100000753385 [0,2,0,0,0,0|1,0,1]=4 5494 B12R0.251 CCCCCCSCC(=O)C(C)C 62a_100000753385_100000210757 [0,2,0,0,0,0|1,0,1]=4 5495 B12R0.251 CCCCCCSCC(=O)N(C)C 62a_100000210314_100000692301 [0,2,0,0,0,0|1,0,1]=4 5496 B12R0.251 CCCCCCSCC(=O)N(C)C 62a_100000692301_100000210757 [0,2,0,0,0,0|1,0,1]=4 5497 B12R0.251 CCCCOCCOC(C)C(=O)C 34a_100000212229_100000743108 [0,2,0,0,0,0|1,0,1]=4 5498 B12R0.251 CCCCOCCOC(C)C(=O)C 7a_100000210238_100000179758 [0,2,0,0,0,0|1,0,1]=4 5499 B12R0.251 CCCCOCCSC(C)C(=O)C 62a_100000743108_100009814033 [0,2,0,0,0,0|1,0,1]=4 5500 B12R0.251 CCCCOCCSC(C)C(=O)C 62a_100009814033_100000743108 [0,2,0,0,0,0|1,0,1]=4 5501 B12R0.251 CCCCOCSCC(=O)C(=O)C 62a_100011261029_100011995733 [0,2,0,0,0,0|1,0,1]=4 5502 B12R0.251 CCCCOCSCC(=O)C(=O)C 62a_100011995733_100011261029 [0,2,0,0,0,0|1,0,1]=4 5503 B12R0.251 CCCCSCCNC(=O)C(=O)N 240690a_100025743550_100011215815 [0,2,0,0,0,0|2,0,0]=4 5504 B12R0.251 CCCCSCCNC(C)C(=O)C 2230a_100025743550_100009814033 [0,2,0,0,0,0|1,0,1]=4 5505 B12R0.251 CCCCSCCOC(C)C(=O)C 7a_200000230436_100000179758 [0,2,0,0,0,0|1,0,1]=4 5506 B12R0.251 CCCOCCCNC(=O)C(=O)N 240690a_100011217757_100011215815 [0,2,0,0,0,0|2,0,0]=4 5507 B12R0.251 CCCOCCCNC(C)C(=O)C 2230a_100011217757_100009814033 [0,2,0,0,0,0|1,0,1]=4 5508 B12R0.251 CCCOCCNCC(=O)C(=O)C 34a_100161115042_100011261029 [0,2,0,0,0,0|1,0,1]=4 5509 B12R0.251 CCCOCCOCC(=O)C(=O)C 34a_100000752267_100011261029 [0,2,0,0,0,0|1,0,1]=4 5510 B12R0.251 CCCOCCSCC(=O)C(=O)C 62a_100011215938_100011261029 [0,2,0,0,0,0|1,0,1]=4 5511 B12R0.251 CCCOCCSCC(=O)C(=O)C 62a_100011261029_100011215938 [0,2,0,0,0,0|1,0,1]=4 5512 B12R0.251 CCCSCCOCC(=O)C(=O)C 34a_200000230433_100011261029 [0,2,0,0,0,0|1,0,1]=4 5513 B12R0.251 CCOCCCNCC(=O)C(=O)C 34a_100000210961_100011261029 [0,2,0,0,0,0|1,0,1]=4 5514 B12R0.251 CCOCCCOCC(=O)C(=O)C 34a_100000757476_100011261029 [0,2,0,0,0,0|1,0,1]=4 5515 B12R0.251 CCOCCCSCC(=O)C(=O)C 62a_100011261029_100012232248 [0,2,0,0,0,0|1,0,1]=4 5516 B12R0.251 CCOCCCSCC(=O)C(=O)C 62a_100012232248_100011261029 [0,2,0,0,0,0|1,0,1]=4 5517 B12R0.251 CCSCCCOCC(=O)C(=O)C 34a_100011216438_100011261029 [0,2,0,0,0,0|1,0,1]=4 5518 B12R0.251 COCCCCCNC(=O)C(=O)N 240690a_100000747528_100011215815 [0,2,0,0,0,0|2,0,0]=4 5519 B12R0.251 COCCCCCNC(C)C(=O)C 2230a_100000747528_100009814033 [0,2,0,0,0,0|1,0,1]=4 5520 B12R0.251 COCCCCOCC(=O)C(=O)C 34a_100000740925_100011261029 [0,2,0,0,0,0|1,0,1]=4 5521 B12R0.251 COCCCCSCC(=O)C(=O)C 62a_100000730899_100011261029 [0,2,0,0,0,0|1,0,1]=4 5522 B12R0.251 COCCCCSCC(=O)C(=O)C 62a_100011261029_100000730899 [0,2,0,0,0,0|1,0,1]=4 5523 B12R0.251 CSCCCCOCC(=O)C(=O)C 34a_100011217163_100011261029 [0,2,0,0,0,0|1,0,1]=4 5524 B12R0.251 NC(=O)C(=O)NCCCCCCO 240690a_100000686447_100011215815 [0,2,0,0,0,0|2,0,0]=4 5525 B12R0.276 CCCC(C)CCOCC(=O)CC 7a_100011217855_100000747405 [0,2,0,0,0,0|1,0,1]=4 5526 B12R0.276 CCCC(C)CCOCC(=O)NC 34a_100011217855_100000183359 [0,2,0,0,0,0|1,0,1]=4 5527 B12R0.276 CCCC(C)CCOCC(=O)NC 7a_100011217855_100000183359 [0,2,0,0,0,0|1,0,1]=4 5528 B12R0.276 CCCC(C)CCOCC(=O)OC 34a_100011217855_100000747449 [0,2,0,0,0,0|1,0,1]=4 5529 B12R0.276 CCCC(C)CCOCC(=O)OC 7a_100011217855_100000747449 [0,2,0,0,0,0|1,0,1]=4 5530 B12R0.276 CCCC(C)NC/C=C/C(=O)OC 2230a_100000741246_100000742655 [0,2,0,0,0,0|1,0,0]=3 5531 B12R0.276 CCCC(C)OC/C=C/C(=O)OC 34a_100000764384_100000742655 [0,2,0,0,0,0|1,0,0]=3 5532 B12R0.276 CCCC(C)OC/C=C/C(=O)OC 7a_100000764384_100000742655 [0,2,0,0,0,0|1,0,0]=3 5533 B12R0.276 CCCC(C)SC/C=C/C(=O)OC 62a_100000742655_100000766640 [0,2,0,0,0,0|1,0,0]=3 5534 B12R0.276 CCCC(C)SC/C=C/C(=O)OC 62a_100000766640_100000742655 [0,2,0,0,0,0|1,0,0]=3 5535 B12R0.276 CCC[C@H](N)CCOCC(=O)NC 34a_100015193777_100000183359 [0,2,0,0,0,0|1,0,1]=4 5536 B12R0.276 CCC[C@H](N)CCOCC(=O)OC 34a_100015193777_100000747449 [0,2,0,0,0,0|1,0,1]=4 5537 B12R0.276 COC(=O)/C=C/CN[C@H](C)CCO 2230a_100000706166_100000742655 [0,2,0,0,0,0|2,0,0]=4 5538 B12R0.276 COC(=O)/C=C/CN[C@H](C)CCO 34a_100000706166_100000742655 [0,2,0,0,0,0|2,0,0]=4 5539 B12R0.276 COC(=O)/C=C/COC(C)CCBr 34a_100012276601_100000742655 [0,2,0,0,0,0|2,0,0]=4 5540 B12R0.276 COC(=O)/C=C/CSC(C)CCO 62a_100000742655_100009893172 [0,2,0,0,0,0|2,0,0]=4 5541 B12R0.276 COC(=O)/C=C/CSC(C)CCO 62a_100009893172_100000742655 [0,2,0,0,0,0|2,0,0]=4 5542 B12R0.276 COCC(C)SC/C=C/C(=O)OC 62a_100000742655_100000765312 [0,2,0,0,0,0|2,0,0]=4 5543 B12R0.276 COCC(C)SC/C=C/C(=O)OC 62a_100000765312_100000742655 [0,2,0,0,0,0|2,0,0]=4 5544 B12R0.276 COC[C@@H](C)NC/C=C/C(=O)OC 2230a_100000764878_100000742655 [0,2,0,0,0,0|2,0,0]=4 5545 B12R0.276 COC[C@@H](C)OC/C=C/C(=O)OC 34a_100011934205_100000742655 [0,2,0,0,0,0|2,0,0]=4 5546 B12R0.48 CCCCC(C)COC(C)C(=O)C 7a_100011995851_100000179758 [0,2,0,0,0,0|1,0,1]=4 5547 B12R0.48 CCCCC(C)OCC(=O)C(=O)C 34a_100000687866_100011261029 [0,2,0,0,0,0|1,0,1]=4 5548 B12R0.48 CCCCC(C)SCC(=O)C(=O)C 62a_100011261029_200011215066 [0,2,0,0,0,0|1,0,1]=4 5549 B12R0.48 CCCCC(C)SCC(=O)C(=O)C 62a_200011215066_100011261029 [0,2,0,0,0,0|1,0,1]=4 5550 B12R0.58 CCCCCCCC(C)(C)C(=O)C 1458a_100000070787_200000046972 [0,2,0,0,0,0|0,0,2]=4 5551 B12R0.58 CCCCCCCC(C)(C)C(=O)C 1458a_200011216102_200000210301 [0,2,0,0,0,0|0,0,2]=4 5552 B12R0.58 CCCCCCCC(C)(C)C(=O)[13CH3] 1458a_200011216102_200025704644 [0,2,0,0,0,0|0,0,2]=4 5553 B12R0.58 CCCCCCOC(C)(C)C(=O)C 34a_100000747739_100000210314 [0,2,0,0,0,0|1,0,1]=4 5554 B12R0.58 CCCCCCOC(C)(C)C(=O)C 7a_100000210259_100000075568 [0,2,0,0,0,0|1,0,1]=4 5555 B12R0.58 CCCCCCOC(C)(C)C(=O)C 7a_100000747739_100000210314 [0,2,0,0,0,0|1,0,1]=4 5556 B12R0.58 CCCCCCSC(C)(C)C(=O)C 62a_100000075568_100000210757 [0,2,0,0,0,0|1,0,1]=4 5557 B12R0.58 CCCCCCSC(C)(C)C(=O)C 62a_100000210314_100000075568 [0,2,0,0,0,0|1,0,1]=4 5558 B12R0.123 C=C(C)C(=O)NC(C)CCCCC 11a_100000211957_100000185857 [0,2,0,0,0,0|2,0,0]=4 5559 B12R0.123 C=C(C)C(=O)NC(C)CCCCC 1626a_100000211957_100000185857 [0,2,0,0,0,0|2,0,0]=4 5560 B12R0.123 CCCCCC(=O)CC(=O)C(=O)C 1458a_100000212188_100011261029 [0,2,0,0,0,0|0,0,2]=4 5561 B12R0.123 CCCCCC(C)NC(=O)C(=O)N 240690a_100000211957_100011215815 [0,2,0,0,0,0|2,0,0]=4 5562 B12R0.123 CCCCCC(C)NC(C)C(=O)C 2230a_100000211957_100009814033 [0,2,0,0,0,0|1,0,1]=4 5563 B12R0.123 CCCCCC(C)OC(C)C(=O)C 34a_100000212229_200011218191 [0,2,0,0,0,0|1,0,1]=4 5564 B12R0.123 CCCCCC(C)OC(C)C(=O)C 7a_100011215632_100000179758 [0,2,0,0,0,0|1,0,1]=4 5565 B12R0.123 CCCCCC(C)SC(C)C(=O)C 62a_100009814033_200011218191 [0,2,0,0,0,0|1,0,1]=4 5566 B12R0.123 CCCCCC(C)SC(C)C(=O)C 62a_200011218191_100009814033 [0,2,0,0,0,0|1,0,1]=4 5567 B12R0.123 CCCCCN(C)CC(=O)C(=O)C 269982a_100000223495_100011261029 [0,2,0,0,0,0|1,0,1]=4 5568 B12R0.186 CCC(C)CCCOC(C)C(=O)C 7a_100011216074_100000179758 [0,2,0,0,0,0|1,0,1]=4 5569 B12R0.201 CCCCCCCN(CC)C(=O)C 11a_100000228213_100015343762 [0,2,0,0,0,0|1,0,1]=4 5570 B12R0.201 CCCCCCCN(CC)C(=O)C 1626a_100000228213_100015343762 [0,2,0,0,0,0|1,0,1]=4 5571 B12R0.201 CCCCCCCN(CC)C(=O)C 240690a_100000228213_100015343762 [0,2,0,0,0,0|1,0,1]=4 5572 B12R0.201 CCCCCCCN(CC)C(=O)C 527a_100000228213_100103153847 [0,2,0,0,0,0|1,0,1]=4 5573 B12R0.279 CCCC(C)CCOC(C)C(=O)C 7a_100011217855_100000179758 [0,2,0,0,0,0|1,0,1]=4 5574 B12R0.279 CCCC(C)COCC(=O)C(=O)C 34a_100000688023_100011261029 [0,2,0,0,0,0|1,0,1]=4 5575 B12R0.279 CCCC(C)CSCC(=O)C(=O)C 62a_100011216630_100011261029 [0,2,0,0,0,0|1,0,1]=4 5576 B12R0.279 CCCC(C)CSCC(=O)C(=O)C 62a_100011261029_100011216630 [0,2,0,0,0,0|1,0,1]=4 5577 B12R0.279 CCC[C@H](N)COCC(=O)C(=O)C 34a_100000732646_100011261029 [0,2,0,0,0,0|1,0,1]=4 5578 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_100102632555_100000730704 [0,2,0,0,0,0|1,0,1]=4 5579 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_200000688413_100000210757 [0,2,0,0,0,0|1,0,1]=4 5580 B12R0.255 C=C(C)CNC(=O)CCCCCC 11a_100000765925_100102632555 [0,2,0,0,0,0|1,0,1]=4 5581 B12R0.255 C=C(C)CNC(=O)CCCCCC 1626a_100000765925_100102632555 [0,2,0,0,0,0|1,0,1]=4 5582 B12R0.255 C=C(C)CNC(=O)CCCCCC 240690a_100000765925_100102632555 [0,2,0,0,0,0|1,0,1]=4 5583 B12R0.255 C=C(C)CNC(=O)CCCCCC 527a_100000765925_100102632555 [0,2,0,0,0,0|1,0,1]=4 5584 B12R0.255 CC(=CCC(=O)CCCCCF)C 1458a_100011220947_100000729378 [0,2,0,0,0,0|2,0,0]=4 5585 B12R0.255 CC(=CCC(=O)CCCCCO)C 1458a_100011220947_100000746330 [0,2,0,0,0,0|2,0,0]=4 5586 B12R0.255 CC(=CCC(=O)CCCCCO)C 1458a_100102619762_100000761012 [0,2,0,0,0,0|2,0,0]=4 5587 B12R0.255 CC(=O)NCC(=O)CCCCCF 1458a_100000194580_100000729378 [0,2,0,0,0,0|1,0,1]=4 5588 B12R0.255 CC(=O)NCC(=O)CCCCCO 1458a_100000194580_100000746330 [0,2,0,0,0,0|1,0,1]=4 5589 B12R0.255 CC(=O)NNC(=O)CCCCCO 22a_100000189765_100102619762 [0,2,0,0,0,0|2,0,0]=4 5590 B12R0.255 CC(=O)OCC(=O)CCCCCF 1458a_100000183556_100000729378 [0,2,0,0,0,0|1,0,1]=4 5591 B12R0.255 CC(=O)OCC(=O)CCCCCO 1458a_100000183556_100000746330 [0,2,0,0,0,0|1,0,1]=4 5592 B12R0.255 CC(=O)SCC(=O)CCCCCF 1458a_100000049016_100000729378 [0,2,0,0,0,0|1,0,1]=4 5593 B12R0.255 CC(=O)SCC(=O)CCCCCO 1458a_100000049016_100000746330 [0,2,0,0,0,0|1,0,1]=4 5594 B12R0.255 CCCCCCC(=NNC(=O)C)C 4a_100000189765_100000210826 [0,2,0,0,0,0|1,0,0]=3 5595 B12R0.255 CCCCCCC(=O)C=CC(C)C 1458a_100016268746_100000210757 [0,2,0,0,0,0|1,0,1]=4 5596 B12R0.255 CCCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210757 [0,2,0,0,0,0|1,0,0]=3 5597 B12R0.255 CCCCCCC(=O)CC=C(C)C 1458a_100102632555_100000761012 [0,2,0,0,0,0|1,0,0]=3 5598 B12R0.255 CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210757 [0,2,0,0,0,0|1,0,1]=4 5599 B12R0.255 CCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210757 [0,2,0,0,0,0|0,0,1]=3 5600 B12R0.255 CCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210757 [0,2,0,0,0,0|1,0,1]=4 5601 B12R0.255 CCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210757 [0,2,0,0,0,0|0,0,1]=3 5602 B12R0.255 CCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210757 [0,2,0,0,0,0|0,0,1]=3 5603 B12R0.255 CCCCCCC(=O)NCC(=O)N 11a_100000711301_100102632555 [0,2,0,0,0,0|1,0,1]=4 5604 B12R0.255 CCCCCCC(=O)NCC(=O)N 240690a_100000711301_100102632555 [0,2,0,0,0,0|1,0,1]=4 5605 B12R0.255 CCCCCCC(=O)NCC(=O)N 527a_100000711301_100102632555 [0,2,0,0,0,0|1,0,1]=4 5606 B12R0.255 CCCCCCC(=O)NNC(=O)C 22a_100000189765_100102632555 [0,2,0,0,0,0|1,0,0]=3 5607 B12R0.255 CCCCCCC(=O)NNC(=O)C 22a_100011221127_100000070787 [0,2,0,0,0,0|1,0,0]=3 5608 B12R0.255 CCCCCCC(C)OCC(=O)C 34a_100000211253_100011215978 [0,2,0,0,0,0|0,0,2]=4 5609 B12R0.255 CCCCCCN(C)CC=C(C)C 2230a_106256046315_100000761012 [0,2,0,0,0,0|1,0,1]=4 5610 B12R0.255 CCCCCCN(C)CC=C(C)C 269982a_106256046315_100000761012 [0,2,0,0,0,0|1,0,1]=4 5611 B12R0.255 CCCCCCN(C)CCC(=O)C 269982a_106256046315_100000053229 [0,2,0,0,0,0|0,0,2]=4 5612 B12R0.255 CCCCCCN(C)COC(=O)C 269982a_106256046315_100000076356 [0,2,0,0,0,0|1,0,1]=4 5613 B12R0.255 CCCCCNC(=O)CC=C(C)C 11a_100000209983_100011220947 [0,2,0,0,0,0|2,0,0]=4 5614 B12R0.255 CCCCCNC(=O)CC=C(C)C 1626a_100000209983_100011220947 [0,2,0,0,0,0|2,0,0]=4 5615 B12R0.255 CCCCCNC(=O)CC=C(C)C 240690a_100000209983_100011220947 [0,2,0,0,0,0|2,0,0]=4 5616 B12R0.255 CCCCCNC(=O)CC=C(C)C 527a_100000209983_100011220947 [0,2,0,0,0,0|2,0,0]=4 5617 B12R0.255 CCCCCNC(=O)CNC(=O)C 11a_100000209983_100000194580 [0,2,0,0,0,0|1,0,1]=4 5618 B12R0.255 CCCCCNC(=O)CNC(=O)C 1626a_100000209983_100000194580 [0,2,0,0,0,0|1,0,1]=4 5619 B12R0.255 CCCCCNC(=O)CNC(=O)C 240690a_100000209983_100000194580 [0,2,0,0,0,0|1,0,1]=4 5620 B12R0.255 CCCCCNC(=O)CNC(=O)C 527a_100000209983_100000194580 [0,2,0,0,0,0|1,0,1]=4 5621 B12R0.255 CCCCCNC(=O)COC(=O)C 1626a_100000209983_100000183556 [0,2,0,0,0,0|1,0,1]=4 5622 B12R0.255 CCCCCNC(=O)COC(=O)C 240690a_100000209983_100000183556 [0,2,0,0,0,0|1,0,1]=4 5623 B12R0.255 CCCCCNC(=O)COC(=O)C 527a_100000209983_100000183556 [0,2,0,0,0,0|1,0,1]=4 5624 B12R0.255 CCCCCNC(=O)CSC(=O)C 11a_100000209983_100000049016 [0,2,0,0,0,0|1,0,1]=4 5625 B12R0.255 CCCCCNC(=O)CSC(=O)C 1626a_100000209983_100000049016 [0,2,0,0,0,0|1,0,1]=4 5626 B12R0.255 CCCCCNC(=O)CSC(=O)C 240690a_100000209983_100000049016 [0,2,0,0,0,0|1,0,1]=4 5627 B12R0.255 CCCCCNC(=O)NNC(=O)C 273464a_100000209983_100000189765 [0,2,0,0,0,0|2,0,0]=4 5628 B12R0.255 CCCCCNC(=O)NNC(=O)C 512a_100000189765_100000209983 [0,2,0,0,0,0|2,0,0]=4 5629 B12R0.255 CCCCCNC(C)COC(=O)C 270004a_100000209983_100000000629 [0,2,0,0,0,0|1,0,1]=4 5630 B12R0.255 CCCCNCC(=O)NNC(=O)C 2230a_100000102301_100000181415 [0,2,0,0,0,0|2,0,0]=4 5631 B12R0.255 CCCCNCC(=O)NNC(=O)C 7a_106832991798_100000181415 [0,2,0,0,0,0|2,0,0]=4 5632 B12R0.255 CCCCNCC(C)CSC(=O)C 2230a_100000102301_200000116872 [0,2,0,0,0,0|1,0,1]=4 5633 B12R0.255 CCCCNCC(C)CSC(=O)C 7a_106832991798_200000116872 [0,2,0,0,0,0|1,0,1]=4 5634 B12R0.255 CCCCNCC(O)COC(=O)C 7a_106832991798_200000139349 [0,2,0,0,0,0|1,0,1]=4 5635 B12R0.255 CCCCOCC(=O)CC=C(C)C 1458a_100000757543_100000761012 [0,2,0,0,0,0|2,0,0]=4 5636 B12R0.255 CCCCOCC(=O)CC=C(C)C 1458a_100011220947_100011995733 [0,2,0,0,0,0|2,0,0]=4 5637 B12R0.255 CCCCOCC(=O)CNC(=O)C 1458a_100000194580_100011995733 [0,2,0,0,0,0|1,0,1]=4 5638 B12R0.255 CCCCOCC(=O)COC(=O)C 1458a_100000183556_100011995733 [0,2,0,0,0,0|1,0,1]=4 5639 B12R0.255 CCCCOCC(=O)COC(=O)C 34a_100000210227_100000036994 [0,2,0,0,0,0|1,0,1]=4 5640 B12R0.255 CCCCOCC(=O)CSC(=O)C 1458a_100000049016_100011995733 [0,2,0,0,0,0|1,0,1]=4 5641 B12R0.255 CCCCOCC(=O)NNC(=O)C 22a_100000189765_100000757543 [0,2,0,0,0,0|2,0,0]=4 5642 B12R0.255 CCCCOCC(=O)NNC(=O)C 7a_100000210227_100000181415 [0,2,0,0,0,0|2,0,0]=4 5643 B12R0.255 CCCCOCC(C)CSC(=O)C 34a_100000210227_200000116872 [0,2,0,0,0,0|1,0,1]=4 5644 B12R0.255 CCCCOCC(C)CSC(=O)C 7a_100000210227_200000116872 [0,2,0,0,0,0|1,0,1]=4 5645 B12R0.255 CCCCOCC(O)COC(=O)C 34a_100000210227_200000139349 [0,2,0,0,0,0|1,0,1]=4 5646 B12R0.255 CCCCOCC(O)COC(=O)C 7a_100000210227_200000139349 [0,2,0,0,0,0|1,0,1]=4 5647 B12R0.255 CCCCSCC(=O)CC=C(C)C 1458a_100000191162_100000761012 [0,2,0,0,0,0|2,0,0]=4 5648 B12R0.255 CCCCSCC(=O)COC(=O)C 62a_100000036994_100000210210 [0,2,0,0,0,0|1,0,1]=4 5649 B12R0.255 CCCCSCC(=O)COC(=O)C 62a_100000210211_100000036994 [0,2,0,0,0,0|1,0,1]=4 5650 B12R0.255 CCCCSCC(=O)NNC(=O)C 22a_100000189765_100000191162 [0,2,0,0,0,0|2,0,0]=4 5651 B12R0.255 CCCCSCC(=O)NNC(=O)C 62a_100000181415_100000210210 [0,2,0,0,0,0|2,0,0]=4 5652 B12R0.255 CCCCSCC(=O)NNC(=O)C 62a_100000210211_100000181415 [0,2,0,0,0,0|2,0,0]=4 5653 B12R0.255 CCCCSCC(C)CSC(=O)C 62a_100000210211_200000116872 [0,2,0,0,0,0|1,0,1]=4 5654 B12R0.255 CCCCSCC(C)CSC(=O)C 62a_200000116872_100000210210 [0,2,0,0,0,0|1,0,1]=4 5655 B12R0.255 CCCCSCC(O)COC(=O)C 62a_100000210211_200000139349 [0,2,0,0,0,0|1,0,1]=4 5656 B12R0.255 CCCCSCC(O)COC(=O)C 62a_200000139349_100000210210 [0,2,0,0,0,0|1,0,1]=4 5657 B12R0.255 CCCOCCC(=O)CC=C(C)C 1458a_100011220947_100011215938 [0,2,0,0,0,0|2,0,0]=4 5658 B12R0.255 CCCOCCC(=O)CNC(=O)C 1458a_100000194580_100011215938 [0,2,0,0,0,0|1,0,1]=4 5659 B12R0.255 CCCOCCC(=O)COC(=O)C 1458a_100000183556_100011215938 [0,2,0,0,0,0|1,0,1]=4 5660 B12R0.255 CCCOCCC(=O)CSC(=O)C 1458a_100000049016_100011215938 [0,2,0,0,0,0|1,0,1]=4 5661 B12R0.255 CCOCCCC(=O)CC=C(C)C 1458a_100011220947_100012232248 [0,2,0,0,0,0|2,0,0]=4 5662 B12R0.255 CCOCCCC(=O)CNC(=O)C 1458a_100000194580_100012232248 [0,2,0,0,0,0|1,0,1]=4 5663 B12R0.255 CCOCCCC(=O)COC(=O)C 1458a_100000183556_100012232248 [0,2,0,0,0,0|1,0,1]=4 5664 B12R0.255 CCOCCCC(=O)CSC(=O)C 1458a_100000049016_100012232248 [0,2,0,0,0,0|1,0,1]=4 5665 B12R0.255 COCCCCC(=O)CC=C(C)C 1458a_100011220947_100000755781 [0,2,0,0,0,0|2,0,0]=4 5666 B12R0.255 COCCCCC(=O)CNC(=O)C 1458a_100000194580_100000755781 [0,2,0,0,0,0|1,0,1]=4 5667 B12R0.255 COCCCCC(=O)COC(=O)C 1458a_100000183556_100000755781 [0,2,0,0,0,0|1,0,1]=4 5668 B12R0.255 COCCCCC(=O)CSC(=O)C 1458a_100000049016_100000755781 [0,2,0,0,0,0|1,0,1]=4 5669 B12R0.277 CCCC(=O)CCCCOC(=O)C 1458a_100000211992_100000033659 [0,2,0,0,0,0|1,0,1]=4 5670 B12R0.277 CCCC(=O)CCCCSC(=O)C 1458a_100000211992_200010402107 [0,2,0,0,0,0|1,0,1]=4 5671 B12R0.277 CCCC(C)CCOCC=C(C)C 34a_100011217855_100000761012 [0,2,0,0,0,0|1,0,1]=4 5672 B12R0.277 CCCC(C)CCOCC=C(C)C 7a_100011217855_100000761012 [0,2,0,0,0,0|1,0,1]=4 5673 B12R0.277 CCCC(C)CCOCCC(=O)C 7a_100011217855_100000053229 [0,2,0,0,0,0|0,0,2]=4 5674 B12R0.277 CCCC(C)CCOCOC(=O)C 34a_100011217855_100009813279 [0,2,0,0,0,0|1,0,1]=4 5675 B12R0.277 CCCC(C)CNCCNC(=O)C 2230a_100000209853_100011216630 [0,2,0,0,0,0|1,0,1]=4 5676 B12R0.277 CCCC(C)COCCC=C(C)C 34a_100000688023_100011217483 [0,2,0,0,0,0|1,0,1]=4 5677 B12R0.277 CCCC(C)COCCC=C(C)C 7a_100000688023_100011217483 [0,2,0,0,0,0|1,0,1]=4 5678 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000688023_100000685027 [0,2,0,0,0,0|0,0,2]=4 5679 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000759063_100011216630 [0,2,0,0,0,0|0,0,2]=4 5680 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000688023_100011215641 [0,2,0,0,0,0|0,0,2]=4 5681 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000759063_100011216630 [0,2,0,0,0,0|0,0,2]=4 5682 B12R0.277 CCCC(C)COCCNC(=O)C 34a_100000158858_100011216630 [0,2,0,0,0,0|1,0,1]=4 5683 B12R0.277 CCCC(C)COCCNC(=O)C 7a_100000688023_100000189650 [0,2,0,0,0,0|1,0,1]=4 5684 B12R0.277 CCCC(C)COCCOC(=O)C 34a_100000688023_100009814007 [0,2,0,0,0,0|1,0,1]=4 5685 B12R0.277 CCCC(C)COCCOC(=O)C 7a_100000688023_100009814007 [0,2,0,0,0,0|1,0,1]=4 5686 B12R0.277 CCCC(C)CSCCC=C(C)C 62a_100011216630_100011217483 [0,2,0,0,0,0|1,0,1]=4 5687 B12R0.277 CCCC(C)CSCCC=C(C)C 62a_100011217483_100011216630 [0,2,0,0,0,0|1,0,1]=4 5688 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011215641_100011216630 [0,2,0,0,0,0|0,0,2]=4 5689 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011216630_100011215641 [0,2,0,0,0,0|0,0,2]=4 5690 B12R0.277 CCCC(C)CSCCNC(=O)C 62a_100000189650_100011216630 [0,2,0,0,0,0|1,0,1]=4 5691 B12R0.277 CCCC(C)CSCCNC(=O)C 62a_100011216630_100000189650 [0,2,0,0,0,0|1,0,1]=4 5692 B12R0.277 CCCC(C)CSCCOC(=O)C 62a_100009814007_100011216630 [0,2,0,0,0,0|1,0,1]=4 5693 B12R0.277 CCCC(C)CSCCOC(=O)C 62a_100011216630_100009814007 [0,2,0,0,0,0|1,0,1]=4 5694 B12R0.277 CCCC(C)NCCCNC(=O)C 270004a_100000736810_100000211909 [0,2,0,0,0,0|1,0,1]=4 5695 B12R0.277 CCCC(C)NCCCNC(=O)C 34a_100000736810_100000766640 [0,2,0,0,0,0|1,0,1]=4 5696 B12R0.277 CCCC(C)NCCCSC(=O)C 2230a_100000741246_100000038929 [0,2,0,0,0,0|1,0,1]=4 5697 B12R0.277 CCCC(C)OCCCCC(=O)C 34a_100000764384_100009817362 [0,2,0,0,0,0|0,0,2]=4 5698 B12R0.277 CCCC(C)OCCCCC(=O)C 7a_100000764384_100000735457 [0,2,0,0,0,0|0,0,2]=4 5699 B12R0.277 CCCC(C)OCCCNC(=O)C 34a_100000752032_100000766640 [0,2,0,0,0,0|1,0,1]=4 5700 B12R0.277 CCCC(C)OCCCOC(=O)C 34a_100000764384_100000042594 [0,2,0,0,0,0|1,0,1]=4 5701 B12R0.277 CCCC(C)OCCCOC(=O)C 7a_100000764384_100000042594 [0,2,0,0,0,0|1,0,1]=4 5702 B12R0.277 CCCC(C)OCCCSC(=O)C 34a_100000764384_100000038929 [0,2,0,0,0,0|1,0,1]=4 5703 B12R0.277 CCCC(C)OCCCSC(=O)C 7a_100000764384_100000038929 [0,2,0,0,0,0|1,0,1]=4 5704 B12R0.277 CCCC(C)SCCCCC(=O)C 62a_100000735457_100000766640 [0,2,0,0,0,0|0,0,2]=4 5705 B12R0.277 CCCC(C)SCCCCC(=O)C 62a_100000766640_100000735457 [0,2,0,0,0,0|0,0,2]=4 5706 B12R0.277 CCCC(C)SCCCOC(=O)C 62a_100000042594_100000766640 [0,2,0,0,0,0|1,0,1]=4 5707 B12R0.277 CCCC(C)SCCCOC(=O)C 62a_100000766640_100000042594 [0,2,0,0,0,0|1,0,1]=4 5708 B12R0.277 CCCC(C)SCCCSC(=O)C 62a_100000038929_100000766640 [0,2,0,0,0,0|1,0,1]=4 5709 B12R0.277 CCCC(C)SCCCSC(=O)C 62a_100000766640_100000038929 [0,2,0,0,0,0|1,0,1]=4 5710 B12R0.277 CCCN(C)CCCCOC(=O)C 269982a_100000747261_100000033659 [0,2,0,0,0,0|1,0,1]=4 5711 B12R0.277 CCCN(C)CCCCSC(=O)C 2230a_100000747261_200010402107 [0,2,0,0,0,0|1,0,1]=4 5712 B12R0.277 CCCN(C)CCCCSC(=O)C 269982a_100000747261_200010402107 [0,2,0,0,0,0|1,0,1]=4 5713 B12R0.277 CCC[C@H](N)CCOCC=C(C)C 34a_100015193777_100000761012 [0,2,0,0,0,0|1,0,1]=4 5714 B12R0.277 CCC[C@H](N)CCOCOC(=O)C 34a_100015193777_100009813279 [0,2,0,0,0,0|1,0,1]=4 5715 B12R0.277 CCC[C@H](N)COCCC=C(C)C 34a_100000732646_100011217483 [0,2,0,0,0,0|1,0,1]=4 5716 B12R0.277 CCC[C@H](N)COCCCC(=O)C 34a_100000732646_100000685027 [0,2,0,0,0,0|0,0,2]=4 5717 B12R0.277 CCC[C@H](N)COCCOC(=O)C 34a_100000732646_100009814007 [0,2,0,0,0,0|1,0,1]=4 5718 B12R0.233 CCCCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210326 [0,2,0,0,0,0|1,0,1]=4 5719 B12R0.233 CCCCCC(=O)CCC=C(C)C 1458a_100000212188_100011217483 [0,2,0,0,0,0|1,0,1]=4 5720 B12R0.233 CCCCCC(=O)CCCC(=O)C 1458a_100000212188_100011215641 [0,2,0,0,0,0|0,0,2]=4 5721 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210326 [0,2,0,0,0,0|1,0,1]=4 5722 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000212188_100000189650 [0,2,0,0,0,0|1,0,1]=4 5723 B12R0.233 CCCCCC(=O)CCOC(=O)C 1458a_100000212188_100009814007 [0,2,0,0,0,0|1,0,1]=4 5724 B12R0.233 CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210326 [0,2,0,0,0,0|1,0,1]=4 5725 B12R0.233 CCCCCC(=O)COCC(=O)C 34a_100000211253_200012276598 [0,2,0,0,0,0|1,0,1]=4 5726 B12R0.233 CCCCCC(C)NCC=C(C)C 2230a_100000211957_100000761012 [0,2,0,0,0,0|1,0,1]=4 5727 B12R0.233 CCCCCC(C)NCC=C(C)C 270004a_100000718196_100000211708 [0,2,0,0,0,0|1,0,1]=4 5728 B12R0.233 CCCCCC(C)NCC=C(C)C 34a_100000718196_200011218191 [0,2,0,0,0,0|1,0,1]=4 5729 B12R0.233 CCCCCC(C)OCC=C(C)C 34a_100000753907_200011218191 [0,2,0,0,0,0|1,0,1]=4 5730 B12R0.233 CCCCCC(C)OCC=C(C)C 34a_100011215632_100000761012 [0,2,0,0,0,0|1,0,1]=4 5731 B12R0.233 CCCCCC(C)OCC=C(C)C 7a_100011215632_100000761012 [0,2,0,0,0,0|1,0,1]=4 5732 B12R0.233 CCCCCC(C)OCCC(=O)C 34a_100000759926_200011218191 [0,2,0,0,0,0|0,0,2]=4 5733 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100000759926_200011218191 [0,2,0,0,0,0|0,0,2]=4 5734 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100011215632_100000053229 [0,2,0,0,0,0|0,0,2]=4 5735 B12R0.233 CCCCCC(C)OCOC(=O)C 34a_100011215632_100009813279 [0,2,0,0,0,0|1,0,1]=4 5736 B12R0.233 CCCCCC(C)SCC=C(C)C 62a_100000761012_200011218191 [0,2,0,0,0,0|1,0,1]=4 5737 B12R0.233 CCCCCC(C)SCC=C(C)C 62a_200011218191_100000761012 [0,2,0,0,0,0|1,0,1]=4 5738 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_100000053229_200011218191 [0,2,0,0,0,0|0,0,2]=4 5739 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_200011218191_100000053229 [0,2,0,0,0,0|0,0,2]=4 5740 B12R0.233 CCCCCC(C)SCOC(=O)C 62a_100000076356_200011218191 [0,2,0,0,0,0|1,0,1]=4 5741 B12R0.233 CCCCCC(C)SCOC(=O)C 62a_200011218191_100000076356 [0,2,0,0,0,0|1,0,1]=4 5742 B12R0.233 CCCCCN(C)CCC=C(C)C 2230a_100000223495_100011217483 [0,2,0,0,0,0|1,0,1]=4 5743 B12R0.233 CCCCCN(C)CCC=C(C)C 269982a_100000223495_100011217483 [0,2,0,0,0,0|1,0,1]=4 5744 B12R0.233 CCCCCN(C)CCCC(=O)C 269982a_100000223495_100011215641 [0,2,0,0,0,0|0,0,2]=4 5745 B12R0.233 CCCCCN(C)CCNC(=O)C 2230a_100000223495_100000189650 [0,2,0,0,0,0|1,0,1]=4 5746 B12R0.233 CCCCCN(C)CCNC(=O)C 269982a_100000223495_100000189650 [0,2,0,0,0,0|1,0,1]=4 5747 B12R0.233 CCCCCN(C)CCOC(=O)C 269982a_100000223495_100009814007 [0,2,0,0,0,0|1,0,1]=4 5748 B12R0.233 CCCCNC(C)CCC=C(C)C 270004a_100000102301_100000765506 [0,2,0,0,0,0|1,0,1]=4 5749 B12R0.233 CCCCOC(C)CCC=C(C)C 34a_100102619829_100000210210 [0,2,0,0,0,0|1,0,1]=4 5750 B12R0.233 CCCCOC(C)CCC=C(C)C 7a_100102619829_100000210211 [0,2,0,0,0,0|1,0,1]=4 5751 B12R0.233 CCCNCC(C)CCC=C(C)C 270004a_100020643023_100000033009 [0,2,0,0,0,0|1,0,1]=4 5752 B12R0.233 CCNCCC(C)CCC=C(C)C 2230a_100015525214_100009814015 [0,2,0,0,0,0|1,0,1]=4 5753 B12R0.233 CCNCCC(C)CCC=C(C)C 269862a_100015525214_100000212096 [0,2,0,0,0,0|1,0,1]=4 5754 B12R0.233 CCNCCC(C)CCC=C(C)C 270004a_100015525214_100000212096 [0,2,0,0,0,0|1,0,1]=4 5755 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100000017536_100000210202 [0,2,0,0,0,0|1,0,1]=4 5756 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100121572206_100009814015 [0,2,0,0,0,0|1,0,1]=4 5757 B12R0.233 CCOCCC(C)CCC=C(C)C 7a_100000017536_100000210202 [0,2,0,0,0,0|1,0,1]=4 5758 B12R0.233 CCSCCC(C)CCC=C(C)C 62a_100000210202_100009814015 [0,2,0,0,0,0|1,0,1]=4 5759 B12R0.233 CCSCCC(C)CCC=C(C)C 62a_100009814015_100000210202 [0,2,0,0,0,0|1,0,1]=4 5760 B12R0.254 CCCCC(CC)COCC(=O)C 34a_100000211253_100000211942 [0,2,0,0,0,0|1,0,1]=4 5761 B12R0.95 CCCCC(=O)CCCCC(=O)C 1458a_100000210183_100000735457 [0,2,0,0,0,0|0,0,2]=4 5762 B12R0.95 CCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210211 [0,2,0,0,0,0|1,0,1]=4 5763 B12R0.95 CCCCC(=O)CCCOC(=O)C 1458a_100000210183_100000042594 [0,2,0,0,0,0|1,0,1]=4 5764 B12R0.95 CCCCC(=O)CCCSC(=O)C 1458a_100000210183_100000038929 [0,2,0,0,0,0|1,0,1]=4 5765 B12R0.95 CCCCC(C)COCC=C(C)C 34a_100011995851_100000761012 [0,2,0,0,0,0|1,0,1]=4 5766 B12R0.95 CCCCC(C)COCC=C(C)C 7a_100011995851_100000761012 [0,2,0,0,0,0|1,0,1]=4 5767 B12R0.95 CCCCC(C)COCCC(=O)C 7a_100011995851_100000053229 [0,2,0,0,0,0|0,0,2]=4 5768 B12R0.95 CCCCC(C)COCOC(=O)C 34a_100011995851_100009813279 [0,2,0,0,0,0|1,0,1]=4 5769 B12R0.95 CCCCC(C)NCCC=C(C)C 2230a_100000126638_100011217483 [0,2,0,0,0,0|1,0,1]=4 5770 B12R0.95 CCCCC(C)NCCNC(=O)C 2230a_100000126638_100000189650 [0,2,0,0,0,0|1,0,1]=4 5771 B12R0.95 CCCCC(C)NCCNC(=O)C 2230a_100000209853_200011215066 [0,2,0,0,0,0|1,0,1]=4 5772 B12R0.95 CCCCC(C)OCCC=C(C)C 34a_100000687866_100011217483 [0,2,0,0,0,0|1,0,1]=4 5773 B12R0.95 CCCCC(C)OCCC=C(C)C 7a_100000687866_100011217483 [0,2,0,0,0,0|1,0,1]=4 5774 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000687866_100000685027 [0,2,0,0,0,0|0,0,2]=4 5775 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000759063_200011215066 [0,2,0,0,0,0|0,0,2]=4 5776 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000687866_100011215641 [0,2,0,0,0,0|0,0,2]=4 5777 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000759063_200011215066 [0,2,0,0,0,0|0,0,2]=4 5778 B12R0.95 CCCCC(C)OCCNC(=O)C 34a_100000158858_200011215066 [0,2,0,0,0,0|1,0,1]=4 5779 B12R0.95 CCCCC(C)OCCNC(=O)C 7a_100000687866_100000189650 [0,2,0,0,0,0|1,0,1]=4 5780 B12R0.95 CCCCC(C)OCCOC(=O)C 34a_100000687866_100009814007 [0,2,0,0,0,0|1,0,1]=4 5781 B12R0.95 CCCCC(C)OCCOC(=O)C 7a_100000687866_100009814007 [0,2,0,0,0,0|1,0,1]=4 5782 B12R0.95 CCCCC(C)SCCC=C(C)C 62a_100011217483_200011215066 [0,2,0,0,0,0|1,0,1]=4 5783 B12R0.95 CCCCC(C)SCCC=C(C)C 62a_200011215066_100011217483 [0,2,0,0,0,0|1,0,1]=4 5784 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_100011215641_200011215066 [0,2,0,0,0,0|0,0,2]=4 5785 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_200011215066_100011215641 [0,2,0,0,0,0|0,0,2]=4 5786 B12R0.95 CCCCC(C)SCCNC(=O)C 62a_100000189650_200011215066 [0,2,0,0,0,0|1,0,1]=4 5787 B12R0.95 CCCCC(C)SCCNC(=O)C 62a_200011215066_100000189650 [0,2,0,0,0,0|1,0,1]=4 5788 B12R0.95 CCCCC(C)SCCOC(=O)C 62a_100009814007_200011215066 [0,2,0,0,0,0|1,0,1]=4 5789 B12R0.95 CCCCC(C)SCCOC(=O)C 62a_200011215066_100009814007 [0,2,0,0,0,0|1,0,1]=4 5790 B12R0.95 CCCCN(C)CCCCC(=O)C 269982a_100000207549_100000735457 [0,2,0,0,0,0|0,0,2]=4 5791 B12R0.95 CCCCN(C)CCCOC(=O)C 269982a_100000207549_100000042594 [0,2,0,0,0,0|1,0,1]=4 5792 B12R0.95 CCCCN(C)CCCSC(=O)C 2230a_100000207549_100000038929 [0,2,0,0,0,0|1,0,1]=4 5793 B12R0.95 CCCCN(C)CCCSC(=O)C 269982a_100000207549_100000038929 [0,2,0,0,0,0|1,0,1]=4 5794 B12R0.95 CCCC[C@H](N)COCC=C(C)C 34a_100011934283_100000761012 [0,2,0,0,0,0|1,0,1]=4 5795 B12R0.95 CCCC[C@H](N)COCOC(=O)C 34a_100011934283_100009813279 [0,2,0,0,0,0|1,0,1]=4 5796 B12R0.119 CCCCCOC/C=C/[Si](C)(C)C 7a_200016270829_100000210326 [0,2,0,0,0,0|1,1,0]=4 5797 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [0,2,0,0,0,0|0,0,2]=4 5798 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [0,2,0,0,0,0|0,0,2]=4 5799 B12R0.234 C#CCCCCCCOCC(=O)C 34a_100000211253_100012276617 [0,2,0,0,0,0|1,0,1]=4 5800 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [0,2,0,0,0,0|0,0,2]=4 5801 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [0,2,0,0,0,0|0,0,2]=4 5802 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [0,2,0,0,0,0|0,0,2]=4 5803 B12R0.234 C=CCCCCCCOCC(=O)C 34a_100000211253_100011215473 [0,2,0,0,0,0|1,0,1]=4 5804 B12R0.234 CC#CCCCCCCCC(=O)C 1458a_100000066323_200000210301 [0,2,0,0,0,0|0,0,2]=4 5805 B12R0.234 CC#CCCCCCCCC(=O)[13CH3] 1458a_100000066323_200025704644 [0,2,0,0,0,0|0,0,2]=4 5806 B12R0.234 CC(=CCCNCCCCCO)C 2230a_100000762737_100011217483 [0,2,0,0,0,0|1,0,1]=4 5807 B12R0.234 CC(=CCCNCCCCCO)C 34a_100000762737_100011217483 [0,2,0,0,0,0|1,0,1]=4 5808 B12R0.234 CC(=CCCOCCCCCBr)C 34a_100000746331_100011217483 [0,2,0,0,0,0|1,0,1]=4 5809 B12R0.234 CC(=CCCOCCCCCBr)C 7a_100000746331_100011217483 [0,2,0,0,0,0|1,0,1]=4 5810 B12R0.234 CC(=CCCOCCCCCCl)C 34a_100000746330_100011217483 [0,2,0,0,0,0|1,0,1]=4 5811 B12R0.234 CC(=CCCOCCCCCCl)C 7a_100000746330_100011217483 [0,2,0,0,0,0|1,0,1]=4 5812 B12R0.234 CC(=CCCOCCCCCI)C 34a_200012148887_100011217483 [0,2,0,0,0,0|1,0,1]=4 5813 B12R0.234 CC(=CCCOCCCCCI)C 7a_200012148887_100011217483 [0,2,0,0,0,0|1,0,1]=4 5814 B12R0.234 CC(=CCCOCCCCCN)C 34a_100000762737_100011217483 [0,2,0,0,0,0|1,0,1]=4 5815 B12R0.234 CC(=CCCSCCCCCF)C 62a_100000729378_100011217483 [0,2,0,0,0,0|1,0,1]=4 5816 B12R0.234 CC(=CCCSCCCCCF)C 62a_100011217483_100000729378 [0,2,0,0,0,0|1,0,1]=4 5817 B12R0.234 CC(=CCCSCCCCCO)C 62a_100000746330_100011217483 [0,2,0,0,0,0|1,0,1]=4 5818 B12R0.234 CC(=CCCSCCCCCO)C 62a_100011217483_100000746330 [0,2,0,0,0,0|1,0,1]=4 5819 B12R0.234 CC(=CCNCCCCCCF)C 34a_100000718196_100015922095 [0,2,0,0,0,0|1,0,1]=4 5820 B12R0.234 CC(=CCNCCCCCCO)C 2230a_100000686447_100000761012 [0,2,0,0,0,0|1,0,1]=4 5821 B12R0.234 CC(=CCNCCCCCCO)C 34a_100000686447_100000761012 [0,2,0,0,0,0|1,0,1]=4 5822 B12R0.234 CC(=CCNCCCCCCO)C 34a_100000718196_100000766143 [0,2,0,0,0,0|1,0,1]=4 5823 B12R0.234 CC(=CCOCCCCCCBr)C 34a_100011215345_100000761012 [0,2,0,0,0,0|1,0,1]=4 5824 B12R0.234 CC(=CCOCCCCCCBr)C 7a_100011215345_100000761012 [0,2,0,0,0,0|1,0,1]=4 5825 B12R0.234 CC(=CCOCCCCCCCl)C 34a_100000766143_100000761012 [0,2,0,0,0,0|1,0,1]=4 5826 B12R0.234 CC(=CCOCCCCCCCl)C 7a_100000766143_100000761012 [0,2,0,0,0,0|1,0,1]=4 5827 B12R0.234 CC(=CCOCCCCCCF)C 34a_100000732779_100000761012 [0,2,0,0,0,0|1,0,1]=4 5828 B12R0.234 CC(=CCOCCCCCCF)C 34a_100000753907_100015922095 [0,2,0,0,0,0|1,0,1]=4 5829 B12R0.234 CC(=CCOCCCCCCF)C 7a_100000732779_100000761012 [0,2,0,0,0,0|1,0,1]=4 5830 B12R0.234 CC(=CCOCCCCCCN)C 34a_100000686447_100000761012 [0,2,0,0,0,0|1,0,1]=4 5831 B12R0.234 CC(=CCOCCCCCCO)C 34a_100000753907_100000766143 [0,2,0,0,0,0|1,0,1]=4 5832 B12R0.234 CC(=CCSCCCCCCF)C 62a_100000761012_100015922095 [0,2,0,0,0,0|1,0,1]=4 5833 B12R0.234 CC(=CCSCCCCCCF)C 62a_100015922095_100000761012 [0,2,0,0,0,0|1,0,1]=4 5834 B12R0.234 CC(=CCSCCCCCCO)C 62a_100000761012_100000766143 [0,2,0,0,0,0|1,0,1]=4 5835 B12R0.234 CC(=CCSCCCCCCO)C 62a_100000766143_100000761012 [0,2,0,0,0,0|1,0,1]=4 5836 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [0,2,0,0,0,0|0,0,2]=4 5837 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [0,2,0,0,0,0|0,0,2]=4 5838 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [0,2,0,0,0,0|0,0,2]=4 5839 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [0,2,0,0,0,0|0,0,2]=4 5840 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [0,2,0,0,0,0|0,0,2]=4 5841 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [0,2,0,0,0,0|0,0,2]=4 5842 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [0,2,0,0,0,0|0,0,2]=4 5843 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [0,2,0,0,0,0|0,0,2]=4 5844 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [0,2,0,0,0,0|0,0,2]=4 5845 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [0,2,0,0,0,0|0,0,2]=4 5846 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [0,2,0,0,0,0|0,0,2]=4 5847 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [0,2,0,0,0,0|0,0,2]=4 5848 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [0,2,0,0,0,0|0,0,2]=4 5849 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [0,2,0,0,0,0|0,0,2]=4 5850 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [0,2,0,0,0,0|0,0,2]=4 5851 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [0,2,0,0,0,0|0,0,2]=4 5852 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [0,2,0,0,0,0|0,0,2]=4 5853 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [0,2,0,0,0,0|0,0,2]=4 5854 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [0,2,0,0,0,0|0,0,2]=4 5855 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [0,2,0,0,0,0|0,0,2]=4 5856 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [0,2,0,0,0,0|0,0,2]=4 5857 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [0,2,0,0,0,0|0,0,2]=4 5858 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [0,2,0,0,0,0|0,0,2]=4 5859 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [0,2,0,0,0,0|0,0,2]=4 5860 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [0,2,0,0,0,0|0,0,2]=4 5861 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [0,2,0,0,0,0|0,0,2]=4 5862 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [0,2,0,0,0,0|0,0,2]=4 5863 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [0,2,0,0,0,0|0,0,2]=4 5864 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [0,2,0,0,0,0|0,0,2]=4 5865 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [0,2,0,0,0,0|0,0,2]=4 5866 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [0,2,0,0,0,0|0,0,2]=4 5867 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [0,2,0,0,0,0|0,0,2]=4 5868 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [0,2,0,0,0,0|0,0,2]=4 5869 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [0,2,0,0,0,0|0,0,2]=4 5870 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [0,2,0,0,0,0|0,0,2]=4 5871 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [0,2,0,0,0,0|0,0,2]=4 5872 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [0,2,0,0,0,0|0,0,2]=4 5873 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [0,2,0,0,0,0|0,0,2]=4 5874 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [0,2,0,0,0,0|0,0,2]=4 5875 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [0,2,0,0,0,0|0,0,2]=4 5876 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [0,2,0,0,0,0|0,0,2]=4 5877 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [0,2,0,0,0,0|0,0,2]=4 5878 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [0,2,0,0,0,0|0,0,2]=4 5879 B12R0.234 CC(=O)NCCCCCCNCF 34a_200011996284_100015361967 [0,2,0,0,0,0|1,0,1]=4 5880 B12R0.234 CC(=O)NCCCCCNCCF 2230a_200012022750_100011217306 [0,2,0,0,0,0|1,0,1]=4 5881 B12R0.234 CC(=O)NCCCCCNCCF 34a_200012022750_100011217306 [0,2,0,0,0,0|1,0,1]=4 5882 B12R0.234 CC(=O)NCCCCCNCCO 2230a_200012022750_100000211926 [0,2,0,0,0,0|1,0,1]=4 5883 B12R0.234 CC(=O)NCCCCCNCCO 34a_200012022750_100000211926 [0,2,0,0,0,0|1,0,1]=4 5884 B12R0.234 CC(=O)NCCCCNCCCF 2230a_200011368371_100011934791 [0,2,0,0,0,0|1,0,1]=4 5885 B12R0.234 CC(=O)NCCCCNCCCF 34a_200011368371_100011934791 [0,2,0,0,0,0|1,0,1]=4 5886 B12R0.234 CC(=O)NCCCCNCCCO 2230a_200011368371_100000230001 [0,2,0,0,0,0|1,0,1]=4 5887 B12R0.234 CC(=O)NCCCCNCCCO 34a_200011368371_100000230001 [0,2,0,0,0,0|1,0,1]=4 5888 B12R0.234 CC(=O)NCCCNCCCCF 34a_100000736810_100000729493 [0,2,0,0,0,0|1,0,1]=4 5889 B12R0.234 CC(=O)NCCCNCCCCO 34a_100000736810_100011216708 [0,2,0,0,0,0|1,0,1]=4 5890 B12R0.234 CC(=O)NCCCOCCCCF 34a_100000752032_100000729493 [0,2,0,0,0,0|1,0,1]=4 5891 B12R0.234 CC(=O)NCCCOCCCCO 34a_100000752032_100011216708 [0,2,0,0,0,0|1,0,1]=4 5892 B12R0.234 CC(=O)NCCNCCCCCF 2230a_100000209853_100000729378 [0,2,0,0,0,0|1,0,1]=4 5893 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000209853_100000746330 [0,2,0,0,0,0|1,0,1]=4 5894 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000762737_100000189650 [0,2,0,0,0,0|1,0,1]=4 5895 B12R0.234 CC(=O)NCCOCCCCCBr 7a_100000746331_100000189650 [0,2,0,0,0,0|1,0,1]=4 5896 B12R0.234 CC(=O)NCCOCCCCCCl 7a_100000746330_100000189650 [0,2,0,0,0,0|1,0,1]=4 5897 B12R0.234 CC(=O)NCCOCCCCCF 34a_100000158858_100000729378 [0,2,0,0,0,0|1,0,1]=4 5898 B12R0.234 CC(=O)NCCOCCCCCI 7a_200012148887_100000189650 [0,2,0,0,0,0|1,0,1]=4 5899 B12R0.234 CC(=O)NCCOCCCCCO 34a_100000158858_100000746330 [0,2,0,0,0,0|1,0,1]=4 5900 B12R0.234 CC(=O)NCCSCCCCCF 62a_100000189650_100000729378 [0,2,0,0,0,0|1,0,1]=4 5901 B12R0.234 CC(=O)NCCSCCCCCF 62a_100000729378_100000189650 [0,2,0,0,0,0|1,0,1]=4 5902 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000189650_100000746330 [0,2,0,0,0,0|1,0,1]=4 5903 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000746330_100000189650 [0,2,0,0,0,0|1,0,1]=4 5904 B12R0.234 CC(=O)OCCCCCNCCF 34a_100000724931_100000033007 [0,2,0,0,0,0|1,0,1]=4 5905 B12R0.234 CC(=O)OCCCCCNCCO 2230a_100016997473_100009813381 [0,2,0,0,0,0|1,0,1]=4 5906 B12R0.234 CC(=O)OCCCCCNCCO 34a_100016990907_100000033007 [0,2,0,0,0,0|1,0,1]=4 5907 B12R0.234 CC(=O)OCCCCCOCCBr 34a_100000211926_100000033007 [0,2,0,0,0,0|1,0,1]=4 5908 B12R0.234 CC(=O)OCCCCCOCCN 34a_100000210304_100000033007 [0,2,0,0,0,0|1,0,1]=4 5909 B12R0.234 CC(=O)OCCCCCSCCF 62a_100000033007_100011217306 [0,2,0,0,0,0|1,0,1]=4 5910 B12R0.234 CC(=O)OCCCCCSCCF 62a_100011217306_100000033007 [0,2,0,0,0,0|1,0,1]=4 5911 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000033007_100000211926 [0,2,0,0,0,0|1,0,1]=4 5912 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000211926_100000033007 [0,2,0,0,0,0|1,0,1]=4 5913 B12R0.234 CC(=O)OCCCCNCCCF 34a_100015189416_100000033659 [0,2,0,0,0,0|1,0,1]=4 5914 B12R0.234 CC(=O)OCCCCOCCCBr 34a_100011217188_100000033659 [0,2,0,0,0,0|1,0,1]=4 5915 B12R0.234 CC(=O)OCCCCOCCCCl 34a_100000230001_100000033659 [0,2,0,0,0,0|1,0,1]=4 5916 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000073216_100011934791 [0,2,0,0,0,0|1,0,1]=4 5917 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000759539_100000033659 [0,2,0,0,0,0|1,0,1]=4 5918 B12R0.234 CC(=O)OCCCCOCCCF 7a_100000073216_100011934791 [0,2,0,0,0,0|1,0,1]=4 5919 B12R0.234 CC(=O)OCCCCOCCCN 34a_100000182051_100000033659 [0,2,0,0,0,0|1,0,1]=4 5920 B12R0.234 CC(=O)OCCCCOCCCO 34a_100000073216_100000230001 [0,2,0,0,0,0|1,0,1]=4 5921 B12R0.234 CC(=O)OCCCCOCCCO 7a_100000073216_100011215043 [0,2,0,0,0,0|1,0,1]=4 5922 B12R0.234 CC(=O)OCCCCSCCCF 62a_100000033659_100011934791 [0,2,0,0,0,0|1,0,1]=4 5923 B12R0.234 CC(=O)OCCCCSCCCF 62a_100011934791_100000033659 [0,2,0,0,0,0|1,0,1]=4 5924 B12R0.234 CC(=O)OCCCCSCCCO 62a_100000033659_100011215043 [0,2,0,0,0,0|1,0,1]=4 5925 B12R0.234 CC(=O)OCCCCSCCCO 62a_100011215043_100000033659 [0,2,0,0,0,0|1,0,1]=4 5926 B12R0.234 CC(=O)OCCCNCCCCO 34a_100000750430_100000042594 [0,2,0,0,0,0|1,0,1]=4 5927 B12R0.234 CC(=O)OCCCOCCCCBr 34a_100011216708_100000042594 [0,2,0,0,0,0|1,0,1]=4 5928 B12R0.234 CC(=O)OCCCOCCCCCl 34a_100000210776_100000042594 [0,2,0,0,0,0|1,0,1]=4 5929 B12R0.234 CC(=O)OCCCOCCCCCl 7a_100000210776_100000042594 [0,2,0,0,0,0|1,0,1]=4 5930 B12R0.234 CC(=O)OCCCOCCCCF 34a_100011995726_100000042594 [0,2,0,0,0,0|1,0,1]=4 5931 B12R0.234 CC(=O)OCCCOCCCCF 7a_100011995726_100000042594 [0,2,0,0,0,0|1,0,1]=4 5932 B12R0.234 CC(=O)OCCCOCCCCI 34a_200012148704_100000042594 [0,2,0,0,0,0|1,0,1]=4 5933 B12R0.234 CC(=O)OCCCOCCCCN 34a_100000750430_100000042594 [0,2,0,0,0,0|1,0,1]=4 5934 B12R0.234 CC(=O)OCCCSCCCCF 62a_100000042594_100000729493 [0,2,0,0,0,0|1,0,1]=4 5935 B12R0.234 CC(=O)OCCCSCCCCF 62a_100000729493_100000042594 [0,2,0,0,0,0|1,0,1]=4 5936 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000042594_100000210776 [0,2,0,0,0,0|1,0,1]=4 5937 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000210776_100000042594 [0,2,0,0,0,0|1,0,1]=4 5938 B12R0.234 CC(=O)OCCNCCCCCO 34a_100000762737_100009814007 [0,2,0,0,0,0|1,0,1]=4 5939 B12R0.234 CC(=O)OCCOCCCCCBr 34a_100000746331_100009814007 [0,2,0,0,0,0|1,0,1]=4 5940 B12R0.234 CC(=O)OCCOCCCCCBr 7a_100000746331_100009814007 [0,2,0,0,0,0|1,0,1]=4 5941 B12R0.234 CC(=O)OCCOCCCCCCl 34a_100000746330_100009814007 [0,2,0,0,0,0|1,0,1]=4 5942 B12R0.234 CC(=O)OCCOCCCCCCl 7a_100000746330_100009814007 [0,2,0,0,0,0|1,0,1]=4 5943 B12R0.234 CC(=O)OCCOCCCCCI 34a_200012148887_100009814007 [0,2,0,0,0,0|1,0,1]=4 5944 B12R0.234 CC(=O)OCCOCCCCCI 7a_200012148887_100009814007 [0,2,0,0,0,0|1,0,1]=4 5945 B12R0.234 CC(=O)OCCOCCCCCN 34a_100000762737_100009814007 [0,2,0,0,0,0|1,0,1]=4 5946 B12R0.234 CC(=O)OCCSCCCCCF 62a_100000729378_100009814007 [0,2,0,0,0,0|1,0,1]=4 5947 B12R0.234 CC(=O)OCCSCCCCCF 62a_100009814007_100000729378 [0,2,0,0,0,0|1,0,1]=4 5948 B12R0.234 CC(=O)OCCSCCCCCO 62a_100000746330_100009814007 [0,2,0,0,0,0|1,0,1]=4 5949 B12R0.234 CC(=O)OCCSCCCCCO 62a_100009814007_100000746330 [0,2,0,0,0,0|1,0,1]=4 5950 B12R0.234 CC(=O)OCNCCCCCCO 34a_100000686447_100009813279 [0,2,0,0,0,0|1,0,1]=4 5951 B12R0.234 CC(=O)OCOCCCCCCBr 34a_100011215345_100009813279 [0,2,0,0,0,0|1,0,1]=4 5952 B12R0.234 CC(=O)OCOCCCCCCCl 34a_100000766143_100009813279 [0,2,0,0,0,0|1,0,1]=4 5953 B12R0.234 CC(=O)OCOCCCCCCF 34a_100000732779_100009813279 [0,2,0,0,0,0|1,0,1]=4 5954 B12R0.234 CC(=O)OCOCCCCCCN 34a_100000686447_100009813279 [0,2,0,0,0,0|1,0,1]=4 5955 B12R0.234 CC(=O)OCSCCCCCCF 62a_100000076356_100015922095 [0,2,0,0,0,0|1,0,1]=4 5956 B12R0.234 CC(=O)OCSCCCCCCF 62a_100015922095_100000076356 [0,2,0,0,0,0|1,0,1]=4 5957 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000076356_100000766143 [0,2,0,0,0,0|1,0,1]=4 5958 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000766143_100000076356 [0,2,0,0,0,0|1,0,1]=4 5959 B12R0.234 CC(=O)SCCCCNCCCF 2230a_100015189416_200010402107 [0,2,0,0,0,0|1,0,1]=4 5960 B12R0.234 CC(=O)SCCCCNCCCF 34a_100015189416_200010402107 [0,2,0,0,0,0|1,0,1]=4 5961 B12R0.234 CC(=O)SCCCCOCCCBr 34a_100011217188_200010402107 [0,2,0,0,0,0|1,0,1]=4 5962 B12R0.234 CC(=O)SCCCCOCCCCl 34a_100000230001_200010402107 [0,2,0,0,0,0|1,0,1]=4 5963 B12R0.234 CC(=O)SCCCCOCCCF 34a_100000759539_200010402107 [0,2,0,0,0,0|1,0,1]=4 5964 B12R0.234 CC(=O)SCCCCOCCCN 34a_100000182051_200010402107 [0,2,0,0,0,0|1,0,1]=4 5965 B12R0.234 CC(=O)SCCCCSCCCF 62a_100011934791_200010402107 [0,2,0,0,0,0|1,0,1]=4 5966 B12R0.234 CC(=O)SCCCCSCCCF 62a_200010402107_100011934791 [0,2,0,0,0,0|1,0,1]=4 5967 B12R0.234 CC(=O)SCCCCSCCCO 62a_100011215043_200010402107 [0,2,0,0,0,0|1,0,1]=4 5968 B12R0.234 CC(=O)SCCCCSCCCO 62a_200010402107_100011215043 [0,2,0,0,0,0|1,0,1]=4 5969 B12R0.234 CC(=O)SCCCNCCCCO 2230a_100000750430_100000038929 [0,2,0,0,0,0|1,0,1]=4 5970 B12R0.234 CC(=O)SCCCNCCCCO 34a_100000750430_100000038929 [0,2,0,0,0,0|1,0,1]=4 5971 B12R0.234 CC(=O)SCCCOCCCCBr 34a_100011216708_100000038929 [0,2,0,0,0,0|1,0,1]=4 5972 B12R0.234 CC(=O)SCCCOCCCCCl 34a_100000210776_100000038929 [0,2,0,0,0,0|1,0,1]=4 5973 B12R0.234 CC(=O)SCCCOCCCCCl 7a_100000210776_100000038929 [0,2,0,0,0,0|1,0,1]=4 5974 B12R0.234 CC(=O)SCCCOCCCCF 34a_100011995726_100000038929 [0,2,0,0,0,0|1,0,1]=4 5975 B12R0.234 CC(=O)SCCCOCCCCF 7a_100011995726_100000038929 [0,2,0,0,0,0|1,0,1]=4 5976 B12R0.234 CC(=O)SCCCOCCCCI 34a_200012148704_100000038929 [0,2,0,0,0,0|1,0,1]=4 5977 B12R0.234 CC(=O)SCCCOCCCCN 34a_100000750430_100000038929 [0,2,0,0,0,0|1,0,1]=4 5978 B12R0.234 CC(=O)SCCCSCCCCF 62a_100000038929_100000729493 [0,2,0,0,0,0|1,0,1]=4 5979 B12R0.234 CC(=O)SCCCSCCCCF 62a_100000729493_100000038929 [0,2,0,0,0,0|1,0,1]=4 5980 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000038929_100000210776 [0,2,0,0,0,0|1,0,1]=4 5981 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000210776_100000038929 [0,2,0,0,0,0|1,0,1]=4 5982 B12R0.234 CCC#CCCCCCCC(=O)C 1458a_100000070787_200000036426 [0,2,0,0,0,0|0,0,2]=4 5983 B12R0.234 CCCCCC#CCOCC(=O)C 34a_100000211253_100009816472 [0,2,0,0,0,0|1,0,1]=4 5984 B12R0.234 CCCCCC/C=C/COC(C)C 34a_200016276170_100000210206 [0,2,0,0,0,0|1,0,1]=4 5985 B12R0.234 CCCCCC/C=C/COC(C)C 7a_200016276170_100000210206 [0,2,0,0,0,0|1,0,1]=4 5986 B12R0.234 CCCCCC=CC=NNC(=O)C 4a_100000189765_100016268540 [0,2,0,0,0,0|0,0,1]=3 5987 B12R0.234 CCCCCCCC=NNC(=O)C 4a_100000189765_100000210592 [0,2,0,0,0,0|0,0,1]=3 5988 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [0,2,0,0,0,0|0,0,0]=2 5989 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [0,2,0,0,0,0|0,0,0]=2 5990 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [0,2,0,0,0,0|0,0,2]=4 5991 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [0,2,0,0,0,0|0,0,2]=4 5992 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [0,2,0,0,0,0|0,0,2]=4 5993 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [0,2,0,0,0,0|0,0,2]=4 5994 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [0,2,0,0,0,0|0,0,2]=4 5995 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [0,2,0,0,0,0|0,0,2]=4 5996 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [0,2,0,0,0,0|0,0,2]=4 5997 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [0,2,0,0,0,0|0,0,2]=4 5998 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [0,2,0,0,0,0|0,0,2]=4 5999 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [0,2,0,0,0,0|0,0,2]=4 6000 B12R0.234 CCCCCCCNCC=C(C)C 2230a_100000229938_100000761012 [0,2,0,0,0,0|1,0,1]=4 6001 B12R0.234 CCCCCCCNCC=C(C)C 34a_100000718196_100000210614 [0,2,0,0,0,0|1,0,1]=4 6002 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000210272_100000761012 [0,2,0,0,0,0|1,0,1]=4 6003 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000753907_100000210614 [0,2,0,0,0,0|1,0,1]=4 6004 B12R0.234 CCCCCCCOCC=C(C)C 7a_100000210272_100000761012 [0,2,0,0,0,0|1,0,1]=4 6005 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [0,2,0,0,0,0|0,0,2]=4 6006 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [0,2,0,0,0,0|0,0,2]=4 6007 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [0,2,0,0,0,0|0,0,2]=4 6008 B12R0.234 CCCCCCCOCOC(=O)C 34a_100000210272_100009813279 [0,2,0,0,0,0|0,0,2]=4 6009 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000210614_100000761012 [0,2,0,0,0,0|1,0,1]=4 6010 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000761012_100000210316 [0,2,0,0,0,0|1,0,1]=4 6011 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [0,2,0,0,0,0|0,0,2]=4 6012 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [0,2,0,0,0,0|0,0,2]=4 6013 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000076356_100000210316 [0,2,0,0,0,0|0,0,2]=4 6014 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000210614_100000076356 [0,2,0,0,0,0|0,0,2]=4 6015 B12R0.234 CCCCCCNCCC=C(C)C 2230a_100000210581_100011217483 [0,2,0,0,0,0|1,0,1]=4 6016 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000209853_100000210314 [0,2,0,0,0,0|0,0,2]=4 6017 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000210581_100000189650 [0,2,0,0,0,0|0,0,2]=4 6018 B12R0.234 CCCCCCOCCC=C(C)C 34a_100000210259_100011217483 [0,2,0,0,0,0|1,0,1]=4 6019 B12R0.234 CCCCCCOCCC=C(C)C 7a_100000210259_100011217483 [0,2,0,0,0,0|1,0,1]=4 6020 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [0,2,0,0,0,0|0,0,2]=4 6021 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [0,2,0,0,0,0|0,0,2]=4 6022 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [0,2,0,0,0,0|0,0,2]=4 6023 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [0,2,0,0,0,0|0,0,2]=4 6024 B12R0.234 CCCCCCOCCNC(=O)C 34a_100000158858_100000210314 [0,2,0,0,0,0|0,0,2]=4 6025 B12R0.234 CCCCCCOCCNC(=O)C 7a_100000210259_100000189650 [0,2,0,0,0,0|0,0,2]=4 6026 B12R0.234 CCCCCCOCCOC(=O)C 34a_100000210259_100009814007 [0,2,0,0,0,0|0,0,2]=4 6027 B12R0.234 CCCCCCOCCOC(=O)C 7a_100000210259_100009814007 [0,2,0,0,0,0|0,0,2]=4 6028 B12R0.234 CCCCCCSCCC=C(C)C 62a_100000210314_100011217483 [0,2,0,0,0,0|1,0,1]=4 6029 B12R0.234 CCCCCCSCCC=C(C)C 62a_100011217483_100000210757 [0,2,0,0,0,0|1,0,1]=4 6030 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [0,2,0,0,0,0|0,0,2]=4 6031 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [0,2,0,0,0,0|0,0,2]=4 6032 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000189650_100000210757 [0,2,0,0,0,0|0,0,2]=4 6033 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000210314_100000189650 [0,2,0,0,0,0|0,0,2]=4 6034 B12R0.234 CCCCCCSCCOC(=O)C 62a_100000210314_100009814007 [0,2,0,0,0,0|0,0,2]=4 6035 B12R0.234 CCCCCCSCCOC(=O)C 62a_100009814007_100000210757 [0,2,0,0,0,0|0,0,2]=4 6036 B12R0.234 CCCCCNCCCNC(=O)C 34a_100000736810_100000718602 [0,2,0,0,0,0|0,0,2]=4 6037 B12R0.234 CCCCCNCCCSC(=O)C 2230a_100000209983_100000038929 [0,2,0,0,0,0|0,0,2]=4 6038 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [0,2,0,0,0,0|0,0,2]=4 6039 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [0,2,0,0,0,0|0,0,2]=4 6040 B12R0.234 CCCCCOCCCNC(=O)C 34a_100000752032_100000718602 [0,2,0,0,0,0|0,0,2]=4 6041 B12R0.234 CCCCCOCCCOC(=O)C 34a_100000210253_100000042594 [0,2,0,0,0,0|0,0,2]=4 6042 B12R0.234 CCCCCOCCCOC(=O)C 7a_100000210253_100000042594 [0,2,0,0,0,0|0,0,2]=4 6043 B12R0.234 CCCCCOCCCSC(=O)C 34a_100000210253_100000038929 [0,2,0,0,0,0|0,0,2]=4 6044 B12R0.234 CCCCCOCCCSC(=O)C 7a_100000210253_100000038929 [0,2,0,0,0,0|0,0,2]=4 6045 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [0,2,0,0,0,0|0,0,2]=4 6046 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [0,2,0,0,0,0|0,0,2]=4 6047 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000042594_100000210326 [0,2,0,0,0,0|0,0,2]=4 6048 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000210326_100000042594 [0,2,0,0,0,0|0,0,2]=4 6049 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000038929_100000210326 [0,2,0,0,0,0|0,0,2]=4 6050 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000210326_100000038929 [0,2,0,0,0,0|0,0,2]=4 6051 B12R0.234 CCCCNCCCCNC(=O)C 2230a_200011368371_100000210211 [0,2,0,0,0,0|0,0,2]=4 6052 B12R0.234 CCCCNCCCCNC(=O)C 34a_200011368371_100000210210 [0,2,0,0,0,0|0,0,2]=4 6053 B12R0.234 CCCCNCCCCOC(=O)C 7a_106832991798_100000033659 [0,2,0,0,0,0|0,0,2]=4 6054 B12R0.234 CCCCNCCCCSC(=O)C 2230a_100000102301_200010402107 [0,2,0,0,0,0|0,0,2]=4 6055 B12R0.234 CCCCNCCCCSC(=O)C 7a_106832991798_200010402107 [0,2,0,0,0,0|0,0,2]=4 6056 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000073216_100000210210 [0,2,0,0,0,0|0,0,2]=4 6057 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000210227_100000033659 [0,2,0,0,0,0|0,0,2]=4 6058 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000073216_100000210211 [0,2,0,0,0,0|0,0,2]=4 6059 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000210227_100000033659 [0,2,0,0,0,0|0,0,2]=4 6060 B12R0.234 CCCCOCCCCSC(=O)C 34a_100000210227_200010402107 [0,2,0,0,0,0|0,0,2]=4 6061 B12R0.234 CCCCOCCCCSC(=O)C 7a_100000210227_200010402107 [0,2,0,0,0,0|0,0,2]=4 6062 B12R0.234 CCCCOCCNCC=C(C)C 34a_100000718196_100000743108 [0,2,0,0,0,0|1,0,1]=4 6063 B12R0.234 CCCCOCCOCC=C(C)C 34a_100000210238_100000761012 [0,2,0,0,0,0|1,0,1]=4 6064 B12R0.234 CCCCOCCOCC=C(C)C 34a_100000753907_100000743108 [0,2,0,0,0,0|1,0,1]=4 6065 B12R0.234 CCCCOCCOCC=C(C)C 7a_100000210238_100000761012 [0,2,0,0,0,0|1,0,1]=4 6066 B12R0.234 CCCCOCCOCCC(=O)C 34a_100000759926_100000743108 [0,2,0,0,0,0|0,0,2]=4 6067 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000210238_100000053229 [0,2,0,0,0,0|0,0,2]=4 6068 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000759926_100000743108 [0,2,0,0,0,0|0,0,2]=4 6069 B12R0.234 CCCCOCCOCOC(=O)C 34a_100000210238_100009813279 [0,2,0,0,0,0|1,0,1]=4 6070 B12R0.234 CCCCOCCSCC=C(C)C 62a_100000743108_100000761012 [0,2,0,0,0,0|1,0,1]=4 6071 B12R0.234 CCCCOCCSCC=C(C)C 62a_100000761012_100000743108 [0,2,0,0,0,0|1,0,1]=4 6072 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000053229_100000743108 [0,2,0,0,0,0|0,0,2]=4 6073 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000743108_100000053229 [0,2,0,0,0,0|0,0,2]=4 6074 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000076356_100000743108 [0,2,0,0,0,0|1,0,1]=4 6075 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000743108_100000076356 [0,2,0,0,0,0|1,0,1]=4 6076 B12R0.234 CCCCOCNCCNC(=O)C 2230a_100000209853_100011995733 [0,2,0,0,0,0|1,0,1]=4 6077 B12R0.234 CCCCOCOCCCC(=O)C 34a_100000759063_100011995733 [0,2,0,0,0,0|0,0,2]=4 6078 B12R0.234 CCCCOCOCCNC(=O)C 34a_100000158858_100011995733 [0,2,0,0,0,0|1,0,1]=4 6079 B12R0.234 CCCCOCOCCOC(=O)C 34a_100000210227_100000076355 [0,2,0,0,0,0|1,0,1]=4 6080 B12R0.234 CCCCOCSCCC=C(C)C 62a_100011217483_100011995733 [0,2,0,0,0,0|1,0,1]=4 6081 B12R0.234 CCCCOCSCCC=C(C)C 62a_100011995733_100011217483 [0,2,0,0,0,0|1,0,1]=4 6082 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011215641_100011995733 [0,2,0,0,0,0|0,0,2]=4 6083 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011995733_100011215641 [0,2,0,0,0,0|0,0,2]=4 6084 B12R0.234 CCCCOCSCCNC(=O)C 62a_100000189650_100011995733 [0,2,0,0,0,0|1,0,1]=4 6085 B12R0.234 CCCCOCSCCNC(=O)C 62a_100011995733_100000189650 [0,2,0,0,0,0|1,0,1]=4 6086 B12R0.234 CCCCOCSCCOC(=O)C 62a_100009814007_100011995733 [0,2,0,0,0,0|1,0,1]=4 6087 B12R0.234 CCCCOCSCCOC(=O)C 62a_100011995733_100009814007 [0,2,0,0,0,0|1,0,1]=4 6088 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000033659_100000210210 [0,2,0,0,0,0|0,0,2]=4 6089 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000210211_100000033659 [0,2,0,0,0,0|0,0,2]=4 6090 B12R0.234 CCCCSCCCCSC(=O)C 62a_100000210211_200010402107 [0,2,0,0,0,0|0,0,2]=4 6091 B12R0.234 CCCCSCCCCSC(=O)C 62a_200010402107_100000210210 [0,2,0,0,0,0|0,0,2]=4 6092 B12R0.234 CCCCSCCNCC=C(C)C 2230a_100025743550_100000761012 [0,2,0,0,0,0|1,0,1]=4 6093 B12R0.234 CCCCSCCOCC=C(C)C 34a_200000230436_100000761012 [0,2,0,0,0,0|1,0,1]=4 6094 B12R0.234 CCCCSCCOCC=C(C)C 7a_200000230436_100000761012 [0,2,0,0,0,0|1,0,1]=4 6095 B12R0.234 CCCCSCCOCCC(=O)C 7a_200000230436_100000053229 [0,2,0,0,0,0|0,0,2]=4 6096 B12R0.234 CCCCSCCOCOC(=O)C 34a_200000230436_100009813279 [0,2,0,0,0,0|1,0,1]=4 6097 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000076355_100000210210 [0,2,0,0,0,0|1,0,1]=4 6098 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000210211_100000076355 [0,2,0,0,0,0|1,0,1]=4 6099 B12R0.234 CCCNCCCCCNC(=O)C 2230a_200012022750_100000210303 [0,2,0,0,0,0|0,0,2]=4 6100 B12R0.234 CCCNCCCCCNC(=O)C 34a_200012022750_100000210303 [0,2,0,0,0,0|0,0,2]=4 6101 B12R0.234 CCCOCCCCCOC(=O)C 34a_100000210258_100000033007 [0,2,0,0,0,0|0,0,2]=4 6102 B12R0.234 CCCOCCCNCC=C(C)C 2230a_100011217757_100000761012 [0,2,0,0,0,0|1,0,1]=4 6103 B12R0.234 CCCOCCCNCC=C(C)C 34a_100011217757_100000761012 [0,2,0,0,0,0|1,0,1]=4 6104 B12R0.234 CCCOCCCNCOC(=O)C 34a_100011217757_100009813279 [0,2,0,0,0,0|1,0,1]=4 6105 B12R0.234 CCCOCCNCCC=C(C)C 2230a_100161115042_100011217483 [0,2,0,0,0,0|1,0,1]=4 6106 B12R0.234 CCCOCCNCCC=C(C)C 34a_100161115042_100011217483 [0,2,0,0,0,0|1,0,1]=4 6107 B12R0.234 CCCOCCNCCCC(=O)C 34a_100161115042_100000685027 [0,2,0,0,0,0|0,0,2]=4 6108 B12R0.234 CCCOCCNCCNC(=O)C 2230a_100000209853_100011215938 [0,2,0,0,0,0|1,0,1]=4 6109 B12R0.234 CCCOCCNCCNC(=O)C 2230a_100161115042_100000189650 [0,2,0,0,0,0|1,0,1]=4 6110 B12R0.234 CCCOCCNCCOC(=O)C 34a_100161115042_100009814007 [0,2,0,0,0,0|1,0,1]=4 6111 B12R0.234 CCCOCCOCCC=C(C)C 34a_100000752267_100011217483 [0,2,0,0,0,0|1,0,1]=4 6112 B12R0.234 CCCOCCOCCC=C(C)C 7a_100000752267_100011217483 [0,2,0,0,0,0|1,0,1]=4 6113 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000752267_100000685027 [0,2,0,0,0,0|0,0,2]=4 6114 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000759063_100011215938 [0,2,0,0,0,0|0,0,2]=4 6115 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000752267_100011215641 [0,2,0,0,0,0|0,0,2]=4 6116 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000759063_100011215938 [0,2,0,0,0,0|0,0,2]=4 6117 B12R0.234 CCCOCCOCCNC(=O)C 11a_200011904461_100015343762 [0,2,0,0,0,0|1,0,1]=4 6118 B12R0.234 CCCOCCOCCNC(=O)C 1626a_200011904461_100015343762 [0,2,0,0,0,0|1,0,1]=4 6119 B12R0.234 CCCOCCOCCNC(=O)C 240690a_200011904461_100015343762 [0,2,0,0,0,0|1,0,1]=4 6120 B12R0.234 CCCOCCOCCNC(=O)C 34a_100000158858_100011215938 [0,2,0,0,0,0|1,0,1]=4 6121 B12R0.234 CCCOCCOCCNC(=O)C 7a_100000752267_100000189650 [0,2,0,0,0,0|1,0,1]=4 6122 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000210258_200000083610 [0,2,0,0,0,0|1,0,1]=4 6123 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000752267_100009814007 [0,2,0,0,0,0|1,0,1]=4 6124 B12R0.234 CCCOCCOCCOC(=O)C 7a_100000752267_100009814007 [0,2,0,0,0,0|1,0,1]=4 6125 B12R0.234 CCCOCCSCCC=C(C)C 62a_100011215938_100011217483 [0,2,0,0,0,0|1,0,1]=4 6126 B12R0.234 CCCOCCSCCC=C(C)C 62a_100011217483_100011215938 [0,2,0,0,0,0|1,0,1]=4 6127 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215641_100011215938 [0,2,0,0,0,0|0,0,2]=4 6128 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215938_100011215641 [0,2,0,0,0,0|0,0,2]=4 6129 B12R0.234 CCCOCCSCCNC(=O)C 62a_100000189650_100011215938 [0,2,0,0,0,0|1,0,1]=4 6130 B12R0.234 CCCOCCSCCNC(=O)C 62a_100011215938_100000189650 [0,2,0,0,0,0|1,0,1]=4 6131 B12R0.234 CCCOCCSCCOC(=O)C 62a_100009814007_100011215938 [0,2,0,0,0,0|1,0,1]=4 6132 B12R0.234 CCCOCCSCCOC(=O)C 62a_100011215938_100009814007 [0,2,0,0,0,0|1,0,1]=4 6133 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000033007_100000210303 [0,2,0,0,0,0|0,0,2]=4 6134 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000210303_100000033007 [0,2,0,0,0,0|0,0,2]=4 6135 B12R0.234 CCCSCCNCCC=C(C)C 2230a_100020603323_100011217483 [0,2,0,0,0,0|1,0,1]=4 6136 B12R0.234 CCCSCCNCCNC(=O)C 2230a_100020603323_100000189650 [0,2,0,0,0,0|1,0,1]=4 6137 B12R0.234 CCCSCCOCCC=C(C)C 34a_200000230433_100011217483 [0,2,0,0,0,0|1,0,1]=4 6138 B12R0.234 CCCSCCOCCC=C(C)C 7a_200000230433_100011217483 [0,2,0,0,0,0|1,0,1]=4 6139 B12R0.234 CCCSCCOCCCC(=O)C 34a_200000230433_100000685027 [0,2,0,0,0,0|0,0,2]=4 6140 B12R0.234 CCCSCCOCCCC(=O)C 7a_200000230433_100011215641 [0,2,0,0,0,0|0,0,2]=4 6141 B12R0.234 CCCSCCOCCNC(=O)C 7a_200000230433_100000189650 [0,2,0,0,0,0|1,0,1]=4 6142 B12R0.234 CCCSCCOCCOC(=O)C 34a_200000230433_100009814007 [0,2,0,0,0,0|1,0,1]=4 6143 B12R0.234 CCCSCCOCCOC(=O)C 62a_100000210303_200000083610 [0,2,0,0,0,0|1,0,1]=4 6144 B12R0.234 CCCSCCOCCOC(=O)C 62a_200000083610_100000210303 [0,2,0,0,0,0|1,0,1]=4 6145 B12R0.234 CCCSCCOCCOC(=O)C 7a_200000230433_100009814007 [0,2,0,0,0,0|1,0,1]=4 6146 B12R0.234 CCNCCCCCCNC(=O)C 2230a_200011996284_100000210202 [0,2,0,0,0,0|0,0,2]=4 6147 B12R0.234 CCNCCCCCCNC(=O)C 34a_200011996284_100000210202 [0,2,0,0,0,0|0,0,2]=4 6148 B12R0.234 CCOCCCNCCC=C(C)C 2230a_100000210961_100011217483 [0,2,0,0,0,0|1,0,1]=4 6149 B12R0.234 CCOCCCNCCC=C(C)C 34a_100000210961_100011217483 [0,2,0,0,0,0|1,0,1]=4 6150 B12R0.234 CCOCCCNCCCC(=O)C 34a_100000210961_100000685027 [0,2,0,0,0,0|0,0,2]=4 6151 B12R0.234 CCOCCCNCCNC(=O)C 2230a_100000209853_100012232248 [0,2,0,0,0,0|1,0,1]=4 6152 B12R0.234 CCOCCCNCCNC(=O)C 2230a_100000210961_100000189650 [0,2,0,0,0,0|1,0,1]=4 6153 B12R0.234 CCOCCCNCCOC(=O)C 34a_100000210961_100009814007 [0,2,0,0,0,0|1,0,1]=4 6154 B12R0.234 CCOCCCOCCC=C(C)C 34a_100000757476_100011217483 [0,2,0,0,0,0|1,0,1]=4 6155 B12R0.234 CCOCCCOCCC=C(C)C 7a_100000757476_100011217483 [0,2,0,0,0,0|1,0,1]=4 6156 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000757476_100000685027 [0,2,0,0,0,0|0,0,2]=4 6157 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000759063_100012232248 [0,2,0,0,0,0|0,0,2]=4 6158 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000757476_100011215641 [0,2,0,0,0,0|0,0,2]=4 6159 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000759063_100012232248 [0,2,0,0,0,0|0,0,2]=4 6160 B12R0.234 CCOCCCOCCNC(=O)C 34a_100000158858_100012232248 [0,2,0,0,0,0|1,0,1]=4 6161 B12R0.234 CCOCCCOCCNC(=O)C 7a_100000757476_100000189650 [0,2,0,0,0,0|1,0,1]=4 6162 B12R0.234 CCOCCCOCCOC(=O)C 34a_100000757476_100009814007 [0,2,0,0,0,0|1,0,1]=4 6163 B12R0.234 CCOCCCOCCOC(=O)C 7a_100000757476_100009814007 [0,2,0,0,0,0|1,0,1]=4 6164 B12R0.234 CCOCCCSCCC=C(C)C 62a_100011217483_100012232248 [0,2,0,0,0,0|1,0,1]=4 6165 B12R0.234 CCOCCCSCCC=C(C)C 62a_100012232248_100011217483 [0,2,0,0,0,0|1,0,1]=4 6166 B12R0.234 CCOCCCSCCCC(=O)C 62a_100011215641_100012232248 [0,2,0,0,0,0|0,0,2]=4 6167 B12R0.234 CCOCCCSCCCC(=O)C 62a_100012232248_100011215641 [0,2,0,0,0,0|0,0,2]=4 6168 B12R0.234 CCOCCCSCCNC(=O)C 62a_100000189650_100012232248 [0,2,0,0,0,0|1,0,1]=4 6169 B12R0.234 CCOCCCSCCNC(=O)C 62a_100012232248_100000189650 [0,2,0,0,0,0|1,0,1]=4 6170 B12R0.234 CCOCCCSCCOC(=O)C 62a_100009814007_100012232248 [0,2,0,0,0,0|1,0,1]=4 6171 B12R0.234 CCOCCCSCCOC(=O)C 62a_100012232248_100009814007 [0,2,0,0,0,0|1,0,1]=4 6172 B12R0.234 CCOCCNCCCCC(=O)C 34a_102516460346_100009817362 [0,2,0,0,0,0|0,0,2]=4 6173 B12R0.234 CCOCCNCCCNC(=O)C 34a_100000736810_100000210147 [0,2,0,0,0,0|1,0,1]=4 6174 B12R0.234 CCOCCNCCCOC(=O)C 34a_102516460346_100000042594 [0,2,0,0,0,0|1,0,1]=4 6175 B12R0.234 CCOCCNCCCSC(=O)C 2230a_102516460346_100000038929 [0,2,0,0,0,0|1,0,1]=4 6176 B12R0.234 CCOCCNCCCSC(=O)C 34a_102516460346_100000038929 [0,2,0,0,0,0|1,0,1]=4 6177 B12R0.234 CCOCCOCCCCC(=O)C 34a_100000210136_100009817362 [0,2,0,0,0,0|0,0,2]=4 6178 B12R0.234 CCOCCOCCCCC(=O)C 7a_100000210136_100000735457 [0,2,0,0,0,0|0,0,2]=4 6179 B12R0.234 CCOCCOCCCNC(=O)C 34a_100000752032_100000210147 [0,2,0,0,0,0|1,0,1]=4 6180 B12R0.234 CCOCCOCCCOC(=O)C 34a_100000210136_100000042594 [0,2,0,0,0,0|1,0,1]=4 6181 B12R0.234 CCOCCOCCCOC(=O)C 7a_100000210136_100000042594 [0,2,0,0,0,0|1,0,1]=4 6182 B12R0.234 CCOCCOCCCSC(=O)C 34a_100000210136_100000038929 [0,2,0,0,0,0|1,0,1]=4 6183 B12R0.234 CCOCCOCCCSC(=O)C 7a_100000210136_100000038929 [0,2,0,0,0,0|1,0,1]=4 6184 B12R0.234 CCOCCOCCOCC(=O)C 34a_100000211253_100011211534 [0,2,0,0,0,0|1,0,1]=4 6185 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000210147_100000735457 [0,2,0,0,0,0|0,0,2]=4 6186 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000735457_100011215890 [0,2,0,0,0,0|0,0,2]=4 6187 B12R0.234 CCOCCSCCCOC(=O)C 62a_100000042594_100011215890 [0,2,0,0,0,0|1,0,1]=4 6188 B12R0.234 CCOCCSCCCOC(=O)C 62a_100000210147_100000042594 [0,2,0,0,0,0|1,0,1]=4 6189 B12R0.234 CCOCCSCCCSC(=O)C 62a_100000038929_100011215890 [0,2,0,0,0,0|1,0,1]=4 6190 B12R0.234 CCOCCSCCCSC(=O)C 62a_100000210147_100000038929 [0,2,0,0,0,0|1,0,1]=4 6191 B12R0.234 CCOCSCCCCOC(=O)C 62a_100000033659_100000739092 [0,2,0,0,0,0|1,0,1]=4 6192 B12R0.234 CCOCSCCCCOC(=O)C 62a_100000739092_100000033659 [0,2,0,0,0,0|1,0,1]=4 6193 B12R0.234 CCOCSCCCCSC(=O)C 62a_100000739092_200010402107 [0,2,0,0,0,0|1,0,1]=4 6194 B12R0.234 CCOCSCCCCSC(=O)C 62a_200010402107_100000739092 [0,2,0,0,0,0|1,0,1]=4 6195 B12R0.234 CCSCCCOCCC=C(C)C 34a_100011216438_100011217483 [0,2,0,0,0,0|1,0,1]=4 6196 B12R0.234 CCSCCCOCCC=C(C)C 7a_100011216438_100011217483 [0,2,0,0,0,0|1,0,1]=4 6197 B12R0.234 CCSCCCOCCCC(=O)C 34a_100011216438_100000685027 [0,2,0,0,0,0|0,0,2]=4 6198 B12R0.234 CCSCCCOCCCC(=O)C 7a_100011216438_100011215641 [0,2,0,0,0,0|0,0,2]=4 6199 B12R0.234 CCSCCCOCCNC(=O)C 7a_100011216438_100000189650 [0,2,0,0,0,0|1,0,1]=4 6200 B12R0.234 CCSCCCOCCOC(=O)C 34a_100011216438_100009814007 [0,2,0,0,0,0|1,0,1]=4 6201 B12R0.234 CCSCCCOCCOC(=O)C 7a_100011216438_100009814007 [0,2,0,0,0,0|1,0,1]=4 6202 B12R0.234 CCSCCNCCCNC(=O)C 34a_100000736810_100000757381 [0,2,0,0,0,0|1,0,1]=4 6203 B12R0.234 CCSCCNCCCSC(=O)C 2230a_100000106463_100000038929 [0,2,0,0,0,0|1,0,1]=4 6204 B12R0.234 CCSCCOCCCCC(=O)C 34a_100000212035_100009817362 [0,2,0,0,0,0|0,0,2]=4 6205 B12R0.234 CCSCCOCCCCC(=O)C 7a_100000212035_100000735457 [0,2,0,0,0,0|0,0,2]=4 6206 B12R0.234 CCSCCOCCCNC(=O)C 34a_100000752032_100000757381 [0,2,0,0,0,0|1,0,1]=4 6207 B12R0.234 CCSCCOCCCOC(=O)C 34a_100000212035_100000042594 [0,2,0,0,0,0|1,0,1]=4 6208 B12R0.234 CCSCCOCCCOC(=O)C 7a_100000212035_100000042594 [0,2,0,0,0,0|1,0,1]=4 6209 B12R0.234 CCSCCOCCCSC(=O)C 34a_100000212035_100000038929 [0,2,0,0,0,0|1,0,1]=4 6210 B12R0.234 CCSCCOCCCSC(=O)C 7a_100000212035_100000038929 [0,2,0,0,0,0|1,0,1]=4 6211 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000735457_100000757381 [0,2,0,0,0,0|0,0,2]=4 6212 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000757381_100000735457 [0,2,0,0,0,0|0,0,2]=4 6213 B12R0.234 CCSCCSCCCOC(=O)C 62a_100000042594_100000757381 [0,2,0,0,0,0|1,0,1]=4 6214 B12R0.234 CCSCCSCCCOC(=O)C 62a_100000757381_100000042594 [0,2,0,0,0,0|1,0,1]=4 6215 B12R0.234 CCSCCSCCCSC(=O)C 62a_100000038929_100000757381 [0,2,0,0,0,0|1,0,1]=4 6216 B12R0.234 CCSCCSCCCSC(=O)C 62a_100000757381_100000038929 [0,2,0,0,0,0|1,0,1]=4 6217 B12R0.234 CNCCCCCOCC=C(C)C 34a_100000722520_100000761012 [0,2,0,0,0,0|1,0,1]=4 6218 B12R0.234 CNCCCCCOCOC(=O)C 34a_100000722520_100009813279 [0,2,0,0,0,0|1,0,1]=4 6219 B12R0.234 CNCCCOCCCCC(=O)C 34a_100000213112_100009817362 [0,2,0,0,0,0|0,0,2]=4 6220 B12R0.234 CNCCCOCCCOC(=O)C 34a_100000213112_100000042594 [0,2,0,0,0,0|1,0,1]=4 6221 B12R0.234 CNCCCOCCCSC(=O)C 34a_100000213112_100000038929 [0,2,0,0,0,0|1,0,1]=4 6222 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [0,2,0,0,0,0|0,0,2]=4 6223 B12R0.234 COCCCCCNCC=C(C)C 2230a_100000747528_100000761012 [0,2,0,0,0,0|1,0,1]=4 6224 B12R0.234 COCCCCCNCC=C(C)C 34a_100000747528_100000761012 [0,2,0,0,0,0|1,0,1]=4 6225 B12R0.234 COCCCCCNCOC(=O)C 34a_100000747528_100009813279 [0,2,0,0,0,0|1,0,1]=4 6226 B12R0.234 COCCCCNCCNC(=O)C 2230a_100000209853_100000730899 [0,2,0,0,0,0|1,0,1]=4 6227 B12R0.234 COCCCCOCCC=C(C)C 34a_100000740925_100011217483 [0,2,0,0,0,0|1,0,1]=4 6228 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [0,2,0,0,0,0|0,0,2]=4 6229 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [0,2,0,0,0,0|0,0,2]=4 6230 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [0,2,0,0,0,0|0,0,2]=4 6231 B12R0.234 COCCCCOCCNC(=O)C 34a_100000158858_100000755781 [0,2,0,0,0,0|1,0,1]=4 6232 B12R0.234 COCCCCOCCOC(=O)C 34a_100000740925_100009814007 [0,2,0,0,0,0|1,0,1]=4 6233 B12R0.234 COCCCCSCCC=C(C)C 62a_100000730899_100011217483 [0,2,0,0,0,0|1,0,1]=4 6234 B12R0.234 COCCCCSCCC=C(C)C 62a_100011217483_100000730899 [0,2,0,0,0,0|1,0,1]=4 6235 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [0,2,0,0,0,0|0,0,2]=4 6236 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [0,2,0,0,0,0|0,0,2]=4 6237 B12R0.234 COCCCCSCCNC(=O)C 62a_100000189650_100000730899 [0,2,0,0,0,0|1,0,1]=4 6238 B12R0.234 COCCCCSCCNC(=O)C 62a_100000730899_100000189650 [0,2,0,0,0,0|1,0,1]=4 6239 B12R0.234 COCCCCSCCOC(=O)C 62a_100000730899_100009814007 [0,2,0,0,0,0|1,0,1]=4 6240 B12R0.234 COCCCCSCCOC(=O)C 62a_100009814007_100000730899 [0,2,0,0,0,0|1,0,1]=4 6241 B12R0.234 COCCCNCCCCC(=O)C 34a_100150723488_100009817362 [0,2,0,0,0,0|0,0,2]=4 6242 B12R0.234 COCCCNCCCNC(=O)C 34a_100000736810_100000740836 [0,2,0,0,0,0|1,0,1]=4 6243 B12R0.234 COCCCNCCCOC(=O)C 34a_100150723488_100000042594 [0,2,0,0,0,0|1,0,1]=4 6244 B12R0.234 COCCCNCCCSC(=O)C 34a_100150723488_100000038929 [0,2,0,0,0,0|1,0,1]=4 6245 B12R0.234 COCCCOCCCCC(=O)C 34a_100000740835_100009817362 [0,2,0,0,0,0|0,0,2]=4 6246 B12R0.234 COCCCOCCCNC(=O)C 34a_100000752032_100000740836 [0,2,0,0,0,0|1,0,1]=4 6247 B12R0.234 COCCCOCCCOC(=O)C 34a_100000740835_100000042594 [0,2,0,0,0,0|1,0,1]=4 6248 B12R0.234 COCCCOCCCSC(=O)C 34a_100000740835_100000038929 [0,2,0,0,0,0|1,0,1]=4 6249 B12R0.234 COCCCSCCCCC(=O)C 62a_100000709357_100000735457 [0,2,0,0,0,0|0,0,2]=4 6250 B12R0.234 COCCCSCCCCC(=O)C 62a_100000735457_100000709357 [0,2,0,0,0,0|0,0,2]=4 6251 B12R0.234 COCCCSCCCOC(=O)C 62a_100000042594_100000709357 [0,2,0,0,0,0|1,0,1]=4 6252 B12R0.234 COCCCSCCCOC(=O)C 62a_100000709357_100000042594 [0,2,0,0,0,0|1,0,1]=4 6253 B12R0.234 COCCCSCCCSC(=O)C 62a_100000038929_100000709357 [0,2,0,0,0,0|1,0,1]=4 6254 B12R0.234 COCCCSCCCSC(=O)C 62a_100000709357_100000038929 [0,2,0,0,0,0|1,0,1]=4 6255 B12R0.234 COCCNCCCCNC(=O)C 2230a_200011368371_100011201679 [0,2,0,0,0,0|1,0,1]=4 6256 B12R0.234 COCCNCCCCNC(=O)C 34a_200011368371_100011201679 [0,2,0,0,0,0|1,0,1]=4 6257 B12R0.234 COCCNCCCCSC(=O)C 2230a_100000209980_200010402107 [0,2,0,0,0,0|1,0,1]=4 6258 B12R0.234 COCCOCCCCOC(=O)C 34a_100000073216_100011201679 [0,2,0,0,0,0|1,0,1]=4 6259 B12R0.234 COCCOCCCCOC(=O)C 34a_100000210237_100000033659 [0,2,0,0,0,0|1,0,1]=4 6260 B12R0.234 COCCOCCCCOC(=O)C 7a_100000073216_100000233755 [0,2,0,0,0,0|1,0,1]=4 6261 B12R0.234 COCCOCCCCSC(=O)C 34a_100000210237_200010402107 [0,2,0,0,0,0|1,0,1]=4 6262 B12R0.234 COCCOCCCOCC(=O)C 34a_100000211253_100011216529 [0,2,0,0,0,0|1,0,1]=4 6263 B12R0.234 COCCSCCCCOC(=O)C 62a_100000033659_100000233755 [0,2,0,0,0,0|1,0,1]=4 6264 B12R0.234 COCCSCCCCOC(=O)C 62a_100000233755_100000033659 [0,2,0,0,0,0|1,0,1]=4 6265 B12R0.234 COCCSCCCCSC(=O)C 62a_100000233755_200010402107 [0,2,0,0,0,0|1,0,1]=4 6266 B12R0.234 COCCSCCCCSC(=O)C 62a_200010402107_100000233755 [0,2,0,0,0,0|1,0,1]=4 6267 B12R0.234 COCNCCCCCNC(=O)C 2230a_200012022750_100000766300 [0,2,0,0,0,0|1,0,1]=4 6268 B12R0.234 COCSCCCCCOC(=O)C 62a_100000033007_100000766300 [0,2,0,0,0,0|1,0,1]=4 6269 B12R0.234 COCSCCCCCOC(=O)C 62a_100000766300_100000033007 [0,2,0,0,0,0|1,0,1]=4 6270 B12R0.234 CSCCCCOCCC=C(C)C 34a_100011217163_100011217483 [0,2,0,0,0,0|1,0,1]=4 6271 B12R0.234 CSCCCCOCCC=C(C)C 7a_100011217163_100011217483 [0,2,0,0,0,0|1,0,1]=4 6272 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [0,2,0,0,0,0|0,0,2]=4 6273 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [0,2,0,0,0,0|0,0,2]=4 6274 B12R0.234 CSCCCCOCCNC(=O)C 7a_100011217163_100000189650 [0,2,0,0,0,0|1,0,1]=4 6275 B12R0.234 CSCCCCOCCOC(=O)C 34a_100011217163_100009814007 [0,2,0,0,0,0|1,0,1]=4 6276 B12R0.234 CSCCCCOCCOC(=O)C 7a_100011217163_100009814007 [0,2,0,0,0,0|1,0,1]=4 6277 B12R0.234 CSCCCNCCCSC(=O)C 2230a_100000749238_100000038929 [0,2,0,0,0,0|1,0,1]=4 6278 B12R0.234 CSCCCOCCCCC(=O)C 34a_100000690336_100009817362 [0,2,0,0,0,0|0,0,2]=4 6279 B12R0.234 CSCCCOCCCCC(=O)C 7a_100000690336_100000735457 [0,2,0,0,0,0|0,0,2]=4 6280 B12R0.234 CSCCCOCCCOC(=O)C 34a_100000690336_100000042594 [0,2,0,0,0,0|1,0,1]=4 6281 B12R0.234 CSCCCOCCCOC(=O)C 7a_100000690336_100000042594 [0,2,0,0,0,0|1,0,1]=4 6282 B12R0.234 CSCCCOCCCSC(=O)C 34a_100000690336_100000038929 [0,2,0,0,0,0|1,0,1]=4 6283 B12R0.234 CSCCCOCCCSC(=O)C 7a_100000690336_100000038929 [0,2,0,0,0,0|1,0,1]=4 6284 B12R0.234 CSCCNCCCCNC(=O)C 2230a_200011368371_100000751147 [0,2,0,0,0,0|1,0,1]=4 6285 B12R0.234 CSCCNCCCCNC(=O)C 34a_200011368371_100000212216 [0,2,0,0,0,0|1,0,1]=4 6286 B12R0.234 CSCCNCCCCSC(=O)C 2230a_100020590264_200010402107 [0,2,0,0,0,0|1,0,1]=4 6287 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000073216_100000212216 [0,2,0,0,0,0|1,0,1]=4 6288 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000230434_100000033659 [0,2,0,0,0,0|1,0,1]=4 6289 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000073216_100000212216 [0,2,0,0,0,0|1,0,1]=4 6290 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000230434_100000033659 [0,2,0,0,0,0|1,0,1]=4 6291 B12R0.234 CSCCOCCCCSC(=O)C 34a_100000230434_200010402107 [0,2,0,0,0,0|1,0,1]=4 6292 B12R0.234 CSCCOCCCCSC(=O)C 7a_100000230434_200010402107 [0,2,0,0,0,0|1,0,1]=4 6293 B12R0.234 CSCCSCCCCOC(=O)C 62a_100000033659_100000751147 [0,2,0,0,0,0|1,0,1]=4 6294 B12R0.234 CSCCSCCCCOC(=O)C 62a_100000212216_100000033659 [0,2,0,0,0,0|1,0,1]=4 6295 B12R0.234 CSCCSCCCCSC(=O)C 62a_100000212216_200010402107 [0,2,0,0,0,0|1,0,1]=4 6296 B12R0.234 CSCCSCCCCSC(=O)C 62a_200010402107_100000751147 [0,2,0,0,0,0|1,0,1]=4 6297 B12R0.234 CSCNCCCCCNC(=O)C 2230a_200012022750_100011218213 [0,2,0,0,0,0|1,0,1]=4 6298 B12R0.234 CSCNCCCCCNC(=O)C 34a_200012022750_100011218213 [0,2,0,0,0,0|1,0,1]=4 6299 B12R0.234 CSCSCCCCCOC(=O)C 62a_100000033007_100011218213 [0,2,0,0,0,0|1,0,1]=4 6300 B12R0.234 CSCSCCCCCOC(=O)C 62a_100011218213_100000033007 [0,2,0,0,0,0|1,0,1]=4 6301 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [0,2,0,0,0,0|0,0,2]=4 6302 B12R0.268 CC(=CCCNCCCC(C)C)C 2230a_200000737386_100011217483 [0,2,0,0,0,0|1,0,1]=4 6303 B12R0.268 CC(=CCCNCCCC(C)C)C 34a_200000737386_100011217483 [0,2,0,0,0,0|1,0,1]=4 6304 B12R0.268 CC(=CCCOCCCC(C)C)C 34a_100000210774_100011217483 [0,2,0,0,0,0|1,0,1]=4 6305 B12R0.268 CC(=CCCOCCCC(C)C)C 7a_100000210774_100011217483 [0,2,0,0,0,0|1,0,1]=4 6306 B12R0.268 CC(=CCCSCCCC(C)C)C 62a_100011214892_100011217483 [0,2,0,0,0,0|1,0,1]=4 6307 B12R0.268 CC(=CCCSCCCC(C)C)C 62a_100011217483_100011214892 [0,2,0,0,0,0|1,0,1]=4 6308 B12R0.268 CC(=CCCSCCCC(C)O)C 62a_100011217483_200000718107 [0,2,0,0,0,0|1,0,1]=4 6309 B12R0.268 CC(=CCCSCCCC(C)O)C 62a_200000718107_100011217483 [0,2,0,0,0,0|1,0,1]=4 6310 B12R0.268 CC(=CCNCCCCC(C)C)C 34a_100000718196_100011216152 [0,2,0,0,0,0|1,0,1]=4 6311 B12R0.268 CC(=CCOCCCCC(C)C)C 34a_100000753907_100011216152 [0,2,0,0,0,0|1,0,1]=4 6312 B12R0.268 CC(=CCOCCCCC(C)C)C 34a_100011214890_100000761012 [0,2,0,0,0,0|1,0,1]=4 6313 B12R0.268 CC(=CCOCCCCC(C)C)C 7a_100011214890_100000761012 [0,2,0,0,0,0|1,0,1]=4 6314 B12R0.268 CC(=CCSCCCCC(C)C)C 62a_100000761012_100011216152 [0,2,0,0,0,0|1,0,1]=4 6315 B12R0.268 CC(=CCSCCCCC(C)C)C 62a_100011216152_100000761012 [0,2,0,0,0,0|1,0,1]=4 6316 B12R0.268 CC(=O)CCCCOCCC(C)Br 34a_100009893172_100009817362 [0,2,0,0,0,0|0,0,2]=4 6317 B12R0.268 CC(=O)CCCCOCCC(C)C 34a_100000210254_100009817362 [0,2,0,0,0,0|0,0,2]=4 6318 B12R0.268 CC(=O)CCCCOCCC(C)C 7a_100000210254_100000735457 [0,2,0,0,0,0|0,0,2]=4 6319 B12R0.268 CC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100009817362 [0,2,0,0,0,0|0,0,2]=4 6320 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000210312_100000735457 [0,2,0,0,0,0|0,0,2]=4 6321 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000735457_100000210312 [0,2,0,0,0,0|0,0,2]=4 6322 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100000735457_100012276601 [0,2,0,0,0,0|0,0,2]=4 6323 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100012276601_100000735457 [0,2,0,0,0,0|0,0,2]=4 6324 B12R0.268 CC(=O)CCCNCCCC(C)C 34a_200000737386_100000685027 [0,2,0,0,0,0|0,0,2]=4 6325 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000210774_100000685027 [0,2,0,0,0,0|0,0,2]=4 6326 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000759063_100011214892 [0,2,0,0,0,0|0,0,2]=4 6327 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000210774_100011215641 [0,2,0,0,0,0|0,0,2]=4 6328 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000759063_100011214892 [0,2,0,0,0,0|0,0,2]=4 6329 B12R0.268 CC(=O)CCCOCCCC(C)O 34a_100000759063_200000718107 [0,2,0,0,0,0|0,0,2]=4 6330 B12R0.268 CC(=O)CCCOCCCC(C)O 7a_100000759063_200000718107 [0,2,0,0,0,0|0,0,2]=4 6331 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011214892_100011215641 [0,2,0,0,0,0|0,0,2]=4 6332 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011215641_100011214892 [0,2,0,0,0,0|0,0,2]=4 6333 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_100011215641_200000718107 [0,2,0,0,0,0|0,0,2]=4 6334 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_200000718107_100011215641 [0,2,0,0,0,0|0,0,2]=4 6335 B12R0.268 CC(=O)CCOCCCCC(C)C 34a_100000759926_100011216152 [0,2,0,0,0,0|0,0,2]=4 6336 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100000759926_100011216152 [0,2,0,0,0,0|0,0,2]=4 6337 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100011214890_100000053229 [0,2,0,0,0,0|0,0,2]=4 6338 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100000053229_100011216152 [0,2,0,0,0,0|0,0,2]=4 6339 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100011216152_100000053229 [0,2,0,0,0,0|0,0,2]=4 6340 B12R0.268 CC(=O)COCCCCCC(C)C 34a_100000211253_100000210682 [0,2,0,0,0,0|0,0,2]=4 6341 B12R0.268 CC(=O)NCCCCCCC(C)C 11a_100000211014_100015343762 [0,2,0,0,0,0|0,0,2]=4 6342 B12R0.268 CC(=O)NCCCCCCC(C)C 1626a_100000211014_100015343762 [0,2,0,0,0,0|0,0,2]=4 6343 B12R0.268 CC(=O)NCCCCCCC(C)C 240690a_100000211014_100015343762 [0,2,0,0,0,0|0,0,2]=4 6344 B12R0.268 CC(=O)NCCCCCCC(C)C 527a_100000211014_100103153847 [0,2,0,0,0,0|0,0,2]=4 6345 B12R0.268 CC(=O)NCCCCCCN(C)C 240690a_200011233508_100015343762 [0,2,0,0,0,0|1,0,1]=4 6346 B12R0.268 CC(=O)NCCCCCNC(C)C 2230a_200012022750_100000210206 [0,2,0,0,0,0|1,0,1]=4 6347 B12R0.268 CC(=O)NCCCCCNC(C)C 34a_200012022750_100000210206 [0,2,0,0,0,0|1,0,1]=4 6348 B12R0.268 CC(=O)NCCCCNCC(C)C 2230a_200011368371_100000210760 [0,2,0,0,0,0|1,0,1]=4 6349 B12R0.268 CC(=O)NCCCCNCC(C)C 270004a_200011368371_100000210432 [0,2,0,0,0,0|1,0,1]=4 6350 B12R0.268 CC(=O)NCCCCNCC(C)C 34a_200011368371_100000210624 [0,2,0,0,0,0|1,0,1]=4 6351 B12R0.268 CC(=O)NCCCCNCC(C)O 2230a_200011368371_100011218427 [0,2,0,0,0,0|1,0,1]=4 6352 B12R0.268 CC(=O)NCCCCNCC(C)O 34a_200011368371_100011218427 [0,2,0,0,0,0|1,0,1]=4 6353 B12R0.268 CC(=O)NCCCCNC[C@@H](C)O 2230a_200011368371_100009817552 [0,2,0,0,0,0|1,0,1]=4 6354 B12R0.268 CC(=O)NCCCCNC[C@@H](C)O 34a_200011368371_100009817552 [0,2,0,0,0,0|1,0,1]=4 6355 B12R0.268 CC(=O)NCCCNCCC(C)C 269862a_100000736810_100000185833 [0,2,0,0,0,0|1,0,1]=4 6356 B12R0.268 CC(=O)NCCCNCCC(C)C 34a_100000736810_100000210312 [0,2,0,0,0,0|1,0,1]=4 6357 B12R0.268 CC(=O)NCCCNCCC(C)O 34a_100000736810_100012276601 [0,2,0,0,0,0|1,0,1]=4 6358 B12R0.268 CC(=O)NCCCOCCC(C)C 34a_100000752032_100000210312 [0,2,0,0,0,0|1,0,1]=4 6359 B12R0.268 CC(=O)NCCCOCCC(C)O 34a_100000752032_100012276601 [0,2,0,0,0,0|1,0,1]=4 6360 B12R0.268 CC(=O)NCCNCCCC(C)C 2230a_100000209853_100011214892 [0,2,0,0,0,0|1,0,1]=4 6361 B12R0.268 CC(=O)NCCNCCCC(C)C 2230a_200000737386_100000189650 [0,2,0,0,0,0|1,0,1]=4 6362 B12R0.268 CC(=O)NCCNCCCC(C)O 2230a_100000209853_200000718107 [0,2,0,0,0,0|1,0,1]=4 6363 B12R0.268 CC(=O)NCCOCCCC(C)C 34a_100000158858_100011214892 [0,2,0,0,0,0|1,0,1]=4 6364 B12R0.268 CC(=O)NCCOCCCC(C)C 7a_100000210774_100000189650 [0,2,0,0,0,0|1,0,1]=4 6365 B12R0.268 CC(=O)NCCOCCCC(C)O 34a_100000158858_200000718107 [0,2,0,0,0,0|1,0,1]=4 6366 B12R0.268 CC(=O)NCCSCCCC(C)C 62a_100000189650_100011214892 [0,2,0,0,0,0|1,0,1]=4 6367 B12R0.268 CC(=O)NCCSCCCC(C)C 62a_100011214892_100000189650 [0,2,0,0,0,0|1,0,1]=4 6368 B12R0.268 CC(=O)NCCSCCCC(C)O 62a_100000189650_200000718107 [0,2,0,0,0,0|1,0,1]=4 6369 B12R0.268 CC(=O)NCCSCCCC(C)O 62a_200000718107_100000189650 [0,2,0,0,0,0|1,0,1]=4 6370 B12R0.268 CC(=O)OCCCCCNC(C)C 2230a_100138425928_100009813381 [0,2,0,0,0,0|1,0,1]=4 6371 B12R0.268 CC(=O)OCCCCCNC(C)C 34a_100138425928_100000033007 [0,2,0,0,0,0|1,0,1]=4 6372 B12R0.268 CC(=O)OCCCCCOC(C)C 34a_100000212225_100000033007 [0,2,0,0,0,0|1,0,1]=4 6373 B12R0.268 CC(=O)OCCCCCSC(C)C 62a_100000033007_100000210206 [0,2,0,0,0,0|1,0,1]=4 6374 B12R0.268 CC(=O)OCCCCCSC(C)C 62a_100000210206_100000033007 [0,2,0,0,0,0|1,0,1]=4 6375 B12R0.268 CC(=O)OCCCCNCC(C)C 34a_100000210953_100000033659 [0,2,0,0,0,0|1,0,1]=4 6376 B12R0.268 CC(=O)OCCCCNCC(C)O 34a_100000210904_100000033659 [0,2,0,0,0,0|1,0,1]=4 6377 B12R0.268 CC(=O)OCCCCOCC(C)Br 34a_100012180447_100000033659 [0,2,0,0,0,0|1,0,1]=4 6378 B12R0.268 CC(=O)OCCCCOCC(C)C 34a_100000073216_100000210624 [0,2,0,0,0,0|1,0,1]=4 6379 B12R0.268 CC(=O)OCCCCOCC(C)C 34a_100000210257_100000033659 [0,2,0,0,0,0|1,0,1]=4 6380 B12R0.268 CC(=O)OCCCCOCC(C)C 7a_100000073216_100000210760 [0,2,0,0,0,0|1,0,1]=4 6381 B12R0.268 CC(=O)OCCCCOCC(C)F 34a_100015925927_100000033659 [0,2,0,0,0,0|1,0,1]=4 6382 B12R0.268 CC(=O)OCCCCOCC(C)O 34a_100000073216_100011218427 [0,2,0,0,0,0|1,0,1]=4 6383 B12R0.268 CC(=O)OCCCCOCC(C)O 7a_100000073216_100011218427 [0,2,0,0,0,0|1,0,1]=4 6384 B12R0.268 CC(=O)OCCCCOC[C@@H](C)Cl 34a_100016084084_100000033659 [0,2,0,0,0,0|1,0,1]=4 6385 B12R0.268 CC(=O)OCCCCOC[C@@H](C)N 34a_100000737577_100000033659 [0,2,0,0,0,0|1,0,1]=4 6386 B12R0.268 CC(=O)OCCCCOC[C@@H](C)O 34a_100000073216_100009817552 [0,2,0,0,0,0|1,0,1]=4 6387 B12R0.268 CC(=O)OCCCCOC[C@@H](C)O 7a_100000073216_100009817552 [0,2,0,0,0,0|1,0,1]=4 6388 B12R0.268 CC(=O)OCCCCSCC(C)C 62a_100000033659_100000210760 [0,2,0,0,0,0|1,0,1]=4 6389 B12R0.268 CC(=O)OCCCCSCC(C)C 62a_100000210624_100000033659 [0,2,0,0,0,0|1,0,1]=4 6390 B12R0.268 CC(=O)OCCCCSCC(C)O 62a_100000033659_100011218427 [0,2,0,0,0,0|1,0,1]=4 6391 B12R0.268 CC(=O)OCCCCSCC(C)O 62a_100011218427_100000033659 [0,2,0,0,0,0|1,0,1]=4 6392 B12R0.268 CC(=O)OCCCCSC[C@@H](C)O 62a_100000033659_100009817552 [0,2,0,0,0,0|1,0,1]=4 6393 B12R0.268 CC(=O)OCCCCSC[C@@H](C)O 62a_100009817552_100000033659 [0,2,0,0,0,0|1,0,1]=4 6394 B12R0.268 CC(=O)OCCCOCCC(C)Br 34a_100009893172_100000042594 [0,2,0,0,0,0|1,0,1]=4 6395 B12R0.268 CC(=O)OCCCOCCC(C)C 34a_100000210254_100000042594 [0,2,0,0,0,0|1,0,1]=4 6396 B12R0.268 CC(=O)OCCCOCCC(C)C 7a_100000210254_100000042594 [0,2,0,0,0,0|1,0,1]=4 6397 B12R0.268 CC(=O)OCCCOCC[C@@H](C)N 34a_100000706166_100000042594 [0,2,0,0,0,0|1,0,1]=4 6398 B12R0.268 CC(=O)OCCCSCCC(C)C 62a_100000042594_100000210312 [0,2,0,0,0,0|1,0,1]=4 6399 B12R0.268 CC(=O)OCCCSCCC(C)C 62a_100000210312_100000042594 [0,2,0,0,0,0|1,0,1]=4 6400 B12R0.268 CC(=O)OCCCSCCC(C)O 62a_100000042594_100012276601 [0,2,0,0,0,0|1,0,1]=4 6401 B12R0.268 CC(=O)OCCCSCCC(C)O 62a_100012276601_100000042594 [0,2,0,0,0,0|1,0,1]=4 6402 B12R0.268 CC(=O)OCCNCCCC(C)C 34a_200000737386_100009814007 [0,2,0,0,0,0|1,0,1]=4 6403 B12R0.268 CC(=O)OCCOCCCC(C)C 34a_100000210774_100009814007 [0,2,0,0,0,0|1,0,1]=4 6404 B12R0.268 CC(=O)OCCOCCCC(C)C 7a_100000210774_100009814007 [0,2,0,0,0,0|1,0,1]=4 6405 B12R0.268 CC(=O)OCCSCCCC(C)C 62a_100009814007_100011214892 [0,2,0,0,0,0|1,0,1]=4 6406 B12R0.268 CC(=O)OCCSCCCC(C)C 62a_100011214892_100009814007 [0,2,0,0,0,0|1,0,1]=4 6407 B12R0.268 CC(=O)OCCSCCCC(C)O 62a_100009814007_200000718107 [0,2,0,0,0,0|1,0,1]=4 6408 B12R0.268 CC(=O)OCCSCCCC(C)O 62a_200000718107_100009814007 [0,2,0,0,0,0|1,0,1]=4 6409 B12R0.268 CC(=O)OCOCCCCC(C)C 34a_100011214890_100009813279 [0,2,0,0,0,0|1,0,1]=4 6410 B12R0.268 CC(=O)OCSCCCCC(C)C 62a_100000076356_100011216152 [0,2,0,0,0,0|1,0,1]=4 6411 B12R0.268 CC(=O)OCSCCCCC(C)C 62a_100011216152_100000076356 [0,2,0,0,0,0|1,0,1]=4 6412 B12R0.268 CC(=O)SCCCCNCC(C)C 2230a_100000210953_200010402107 [0,2,0,0,0,0|1,0,1]=4 6413 B12R0.268 CC(=O)SCCCCNCC(C)C 34a_100000210953_200010402107 [0,2,0,0,0,0|1,0,1]=4 6414 B12R0.268 CC(=O)SCCCCNCC(C)O 2230a_100000210904_200010402107 [0,2,0,0,0,0|1,0,1]=4 6415 B12R0.268 CC(=O)SCCCCNCC(C)O 34a_100000210904_200010402107 [0,2,0,0,0,0|1,0,1]=4 6416 B12R0.268 CC(=O)SCCCCOCC(C)Br 34a_100012180447_200010402107 [0,2,0,0,0,0|1,0,1]=4 6417 B12R0.268 CC(=O)SCCCCOCC(C)C 34a_100000210257_200010402107 [0,2,0,0,0,0|1,0,1]=4 6418 B12R0.268 CC(=O)SCCCCOCC(C)F 34a_100015925927_200010402107 [0,2,0,0,0,0|1,0,1]=4 6419 B12R0.268 CC(=O)SCCCCOC[C@@H](C)Cl 34a_100016084084_200010402107 [0,2,0,0,0,0|1,0,1]=4 6420 B12R0.268 CC(=O)SCCCCOC[C@@H](C)N 34a_100000737577_200010402107 [0,2,0,0,0,0|1,0,1]=4 6421 B12R0.268 CC(=O)SCCCCSCC(C)C 62a_100000210624_200010402107 [0,2,0,0,0,0|1,0,1]=4 6422 B12R0.268 CC(=O)SCCCCSCC(C)C 62a_200010402107_100000210760 [0,2,0,0,0,0|1,0,1]=4 6423 B12R0.268 CC(=O)SCCCCSCC(C)O 62a_100011218427_200010402107 [0,2,0,0,0,0|1,0,1]=4 6424 B12R0.268 CC(=O)SCCCCSCC(C)O 62a_200010402107_100011218427 [0,2,0,0,0,0|1,0,1]=4 6425 B12R0.268 CC(=O)SCCCCSC[C@@H](C)O 62a_100009817552_200010402107 [0,2,0,0,0,0|1,0,1]=4 6426 B12R0.268 CC(=O)SCCCCSC[C@@H](C)O 62a_200010402107_100009817552 [0,2,0,0,0,0|1,0,1]=4 6427 B12R0.268 CC(=O)SCCCNCCC(C)O 2230a_200000755665_100000038929 [0,2,0,0,0,0|1,0,1]=4 6428 B12R0.268 CC(=O)SCCCOCCC(C)Br 34a_100009893172_100000038929 [0,2,0,0,0,0|1,0,1]=4 6429 B12R0.268 CC(=O)SCCCOCCC(C)C 34a_100000210254_100000038929 [0,2,0,0,0,0|1,0,1]=4 6430 B12R0.268 CC(=O)SCCCOCCC(C)C 7a_100000210254_100000038929 [0,2,0,0,0,0|1,0,1]=4 6431 B12R0.268 CC(=O)SCCCOCC[C@@H](C)N 34a_100000706166_100000038929 [0,2,0,0,0,0|1,0,1]=4 6432 B12R0.268 CC(=O)SCCCSCCC(C)C 62a_100000038929_100000210312 [0,2,0,0,0,0|1,0,1]=4 6433 B12R0.268 CC(=O)SCCCSCCC(C)C 62a_100000210312_100000038929 [0,2,0,0,0,0|1,0,1]=4 6434 B12R0.268 CC(=O)SCCCSCCC(C)O 62a_100000038929_100012276601 [0,2,0,0,0,0|1,0,1]=4 6435 B12R0.268 CC(=O)SCCCSCCC(C)O 62a_100012276601_100000038929 [0,2,0,0,0,0|1,0,1]=4 6436 B10R1.10 CCCN1CCC=C(C1)C 2230a_100000725631_100000210303 [1,0,0,1,0,0|2,0,0]=4 6437 B10R1.10 CCCN1CCC=C(C1)C 269982a_100000725631_100000210303 [1,0,0,1,0,0|2,0,0]=4 6438 B10R1.10 CCCN1CCC=C(C1)C 34a_100000725631_100000210303 [1,0,0,1,0,0|2,0,0]=4 6439 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [1,0,0,1,0,0|2,0,0]=4 6440 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [1,0,0,1,0,0|2,0,0]=4 6441 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [1,0,0,1,0,0|2,0,0]=4 6442 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [1,0,0,1,0,0|2,0,0]=4 6443 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [1,0,0,1,0,0|1,0,1]=4 6444 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [1,0,0,1,0,0|2,0,0]=4 6445 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [1,0,0,1,0,0|2,0,0]=4 6446 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [1,0,0,1,0,0|2,0,0]=4 6447 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [1,0,0,1,0,0|2,0,0]=4 6448 B10R1.16 CCCCc1ccc(s1)C 271570a_100020621405_100000761539 [1,0,0,1,0,0|0,1,1]=4 6449 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [1,0,0,1,0,0|2,0,0]=4 6450 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [1,0,0,1,0,0|1,0,1]=4 6451 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [1,0,0,1,0,0|2,0,0]=4 6452 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [1,0,0,1,0,0|2,0,0]=4 6453 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [1,0,0,1,0,0|2,0,0]=4 6454 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [1,0,0,1,0,0|2,0,0]=4 6455 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [1,0,0,1,0,0|0,0,0]=2 6456 B10R1.18 CC(=O)C=C1CCOCC1 1458a_100000761426_200000210301 [1,0,0,1,0,0|1,0,0]=3 6457 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [1,0,0,1,0,0|0,0,2]=4 6458 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [1,0,0,1,0,0|0,0,1]=3 6459 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [1,0,0,1,0,0|0,0,1]=3 6460 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [1,0,0,1,0,0|1,0,1]=4 6461 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [1,0,0,1,0,0|1,0,1]=4 6462 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [1,0,0,1,0,0|1,0,1]=4 6463 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [1,0,0,1,0,0|1,0,1]=4 6464 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [1,0,0,1,0,0|1,0,1]=4 6465 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [1,0,0,1,0,0|1,0,1]=4 6466 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [1,0,0,1,0,0|1,0,1]=4 6467 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [1,0,0,1,0,0|1,0,0]=3 6468 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [1,0,0,1,0,0|1,0,0]=3 6469 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [1,0,0,1,0,0|1,0,0]=3 6470 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [1,0,0,1,0,0|1,0,0]=3 6471 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [1,0,0,1,0,0|2,0,0]=4 6472 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [1,0,0,1,0,0|2,0,0]=4 6473 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [1,0,0,1,0,0|2,0,0]=4 6474 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [1,0,0,1,0,0|2,0,0]=4 6475 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [1,0,0,1,0,0|2,0,0]=4 6476 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [1,0,0,1,0,0|2,0,0]=4 6477 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [1,0,0,1,0,0|2,0,0]=4 6478 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [1,0,0,1,0,0|2,0,0]=4 6479 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [1,0,0,1,0,0|2,0,0]=4 6480 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [1,0,0,1,0,0|2,0,0]=4 6481 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [1,0,0,1,0,0|2,0,0]=4 6482 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [1,0,0,1,0,0|2,0,0]=4 6483 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [1,0,0,1,0,0|0,0,0]=2 6484 B10R1.18 [13CH3]C(=O)C=C1CCOCC1 1458a_100000761426_200025704644 [1,0,0,1,0,0|1,0,0]=3 6485 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [1,0,0,1,0,0|0,0,2]=4 6486 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [1,0,0,1,0,0|0,0,1]=3 6487 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [1,0,0,1,0,0|1,0,1]=4 6488 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [1,0,0,1,0,0|1,0,1]=4 6489 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [1,0,0,1,0,0|1,0,1]=4 6490 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [1,0,0,1,0,0|1,0,1]=4 6491 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [1,0,0,1,0,0|1,0,1]=4 6492 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [1,0,0,1,0,0|1,0,1]=4 6493 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [1,0,0,1,0,0|1,0,1]=4 6494 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [1,0,0,1,0,0|1,0,1]=4 6495 B10R1.39 CC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100015343762 [1,0,0,1,0,0|2,0,0]=4 6496 B10R1.39 CC(=O)N1CCC[C@@H]1CO 527a_100000745186_100103153847 [1,0,0,1,0,0|2,0,0]=4 6497 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [1,0,0,1,0,0|1,0,0]=3 6498 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [1,0,0,1,0,0|1,0,0]=3 6499 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [1,0,0,1,0,0|1,0,0]=3 6500 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [1,0,0,1,0,0|1,0,0]=3 6501 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [1,0,0,1,0,0|1,0,1]=4 6502 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [1,0,0,1,0,0|1,0,1]=4 6503 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [1,0,0,1,0,0|0,0,1]=3 6504 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [1,0,0,1,0,0|1,0,1]=4 6505 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [1,0,0,1,0,0|1,0,0]=3 6506 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [1,0,0,1,0,0|1,0,0]=3 6507 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [1,0,0,1,0,0|1,0,0]=3 6508 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [1,0,0,1,0,0|1,0,0]=3 6509 B10R1.61 CC(=O)N1CCOC[C@@H]1C 11a_100009815349_100015343762 [1,0,0,1,0,0|2,0,0]=4 6510 B10R1.61 CC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100015343762 [1,0,0,1,0,0|2,0,0]=4 6511 B10R1.61 CC(=O)N1CCOC[C@@H]1C 527a_100009815349_100103153847 [1,0,0,1,0,0|2,0,0]=4 6512 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [1,0,0,1,0,0|1,0,1]=4 6513 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [1,0,0,1,0,0|0,0,1]=3 6514 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [1,0,0,1,0,0|1,0,1]=4 6515 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [1,0,0,1,0,0|1,0,1]=4 6516 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [1,0,0,1,0,0|2,0,0]=4 6517 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [1,0,0,1,0,0|2,0,0]=4 6518 B10R1.66 CC(=CCN1CCCC1)C 2230a_100000188435_100000761012 [1,0,0,1,0,0|2,0,0]=4 6519 B10R1.66 CC(=CCN1CCCC1)C 269982a_100000188435_100000761012 [1,0,0,1,0,0|2,0,0]=4 6520 B10R1.66 CC(=O)C=CC1=CCCC1 1458a_100016262312_200000210301 [1,0,0,1,0,0|0,0,2]=4 6521 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [1,0,0,1,0,0|0,0,1]=3 6522 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [1,0,0,1,0,0|0,0,1]=3 6523 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [1,0,0,1,0,0|1,0,1]=4 6524 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [1,0,0,1,0,0|1,0,1]=4 6525 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [1,0,0,1,0,0|1,0,1]=4 6526 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [1,0,0,1,0,0|1,0,1]=4 6527 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [1,0,0,1,0,0|1,0,1]=4 6528 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [1,0,0,1,0,0|1,0,1]=4 6529 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [1,0,0,1,0,0|1,0,0]=3 6530 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [1,0,0,1,0,0|1,0,0]=3 6531 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [1,0,0,1,0,0|1,0,0]=3 6532 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [1,0,0,1,0,0|1,0,0]=3 6533 B10R1.66 CC(=O)NCC1CCOC1 11a_100000737293_100015343762 [1,0,0,1,0,0|2,0,0]=4 6534 B10R1.66 CC(=O)NCC1CCOC1 1626a_100000737293_100015343762 [1,0,0,1,0,0|2,0,0]=4 6535 B10R1.66 CC(=O)NCC1CCOC1 240690a_100000737293_100015343762 [1,0,0,1,0,0|2,0,0]=4 6536 B10R1.66 CC(=O)NCC1CCOC1 527a_100000737293_100103153847 [1,0,0,1,0,0|2,0,0]=4 6537 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [1,0,0,1,0,0|2,0,0]=4 6538 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [1,0,0,1,0,0|2,0,0]=4 6539 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [1,0,0,1,0,0|2,0,0]=4 6540 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [1,0,0,1,0,0|2,0,0]=4 6541 B10R1.66 CC(=O)NNC1CCCC1 22a_100000737850_100000070787 [1,0,0,1,0,0|2,0,0]=4 6542 B10R1.66 CC(=O)OCN1CCCC1 269982a_100000188435_100000076356 [1,0,0,1,0,0|2,0,0]=4 6543 B10R1.66 [13CH3]C(=O)C=CC1=CCCC1 1458a_100016262312_200025704644 [1,0,0,1,0,0|0,0,2]=4 6544 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [1,0,0,1,0,0|0,0,1]=3 6545 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [1,0,0,1,0,0|1,0,1]=4 6546 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [1,0,0,1,0,0|1,0,1]=4 6547 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [1,0,0,1,0,0|1,0,1]=4 6548 B10R1.86 COCC1CCN1C(=O)C 11a_100015195929_100015343762 [1,0,0,1,0,0|2,0,0]=4 6549 B10R1.86 COCC1CCN1C(=O)C 1626a_100015195929_100015343762 [1,0,0,1,0,0|2,0,0]=4 6550 B10R1.86 COCC1CCN1C(=O)C 240690a_100015195929_100015343762 [1,0,0,1,0,0|2,0,0]=4 6551 B10R1.86 COCC1CCN1C(=O)C 527a_100015195929_100103153847 [1,0,0,1,0,0|2,0,0]=4 6552 B10R1.117 CC(=CCN1CCC1C)C 269982a_100000755817_100000761012 [1,0,0,1,0,0|2,0,0]=4 6553 B10R1.117 CC(=CCN1CCC1C)C 34a_100000755817_100000761012 [1,0,0,1,0,0|2,0,0]=4 6554 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [1,0,0,1,0,0|1,0,1]=4 6555 B10R1.117 CC(=O)OCN1CCC1C 269982a_100000755817_100000076356 [1,0,0,1,0,0|2,0,0]=4 6556 B10R1.117 CC(=O)OCN1CCC1C 34a_100000755817_100009813279 [1,0,0,1,0,0|2,0,0]=4 6557 B10R1.126 CC(=CCCNC1CC1)C 34a_100000212008_100011217483 [1,0,0,1,0,0|2,0,0]=4 6558 B10R1.126 CC(=CCCSC1CC1)C 62a_100011217483_100000211595 [1,0,0,1,0,0|2,0,0]=4 6559 B10R1.126 CC(=CCNCC1CC1)C 2230a_100000735609_100000761012 [1,0,0,1,0,0|2,0,0]=4 6560 B10R1.126 CC(=CCNCC1CC1)C 34a_100000718196_100000742324 [1,0,0,1,0,0|2,0,0]=4 6561 B10R1.126 CC(=CCNCC1CC1)C 34a_100000735609_100000761012 [1,0,0,1,0,0|2,0,0]=4 6562 B10R1.126 CC(=CCOCC1CC1)C 34a_100000211283_100000761012 [1,0,0,1,0,0|2,0,0]=4 6563 B10R1.126 CC(=CCOCC1CC1)C 34a_100000753907_100000742324 [1,0,0,1,0,0|2,0,0]=4 6564 B10R1.126 CC(=CCSCC1CC1)C 62a_100000756562_100000761012 [1,0,0,1,0,0|2,0,0]=4 6565 B10R1.126 CC(=CCSCC1CC1)C 62a_100000761012_100000742324 [1,0,0,1,0,0|2,0,0]=4 6566 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [1,0,0,1,0,0|1,0,1]=4 6567 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [1,0,0,1,0,0|1,0,1]=4 6568 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [1,0,0,1,0,0|1,0,1]=4 6569 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [1,0,0,1,0,0|1,0,1]=4 6570 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [1,0,0,1,0,0|1,0,1]=4 6571 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [1,0,0,1,0,0|1,0,1]=4 6572 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [1,0,0,1,0,0|1,0,1]=4 6573 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [1,0,0,1,0,0|1,0,1]=4 6574 B10R1.126 CC(=O)NCCOC1CC1 34a_100000158858_100000211595 [1,0,0,1,0,0|2,0,0]=4 6575 B10R1.126 CC(=O)NCCSC1CC1 62a_100000189650_100000211595 [1,0,0,1,0,0|2,0,0]=4 6576 B10R1.126 CC(=O)OCCNC1CC1 34a_100000212008_100009814007 [1,0,0,1,0,0|2,0,0]=4 6577 B10R1.126 CC(=O)OCCSC1CC1 62a_100009814007_100000211595 [1,0,0,1,0,0|2,0,0]=4 6578 B10R1.126 CC(=O)OCNCC1CC1 34a_100000735609_100009813279 [1,0,0,1,0,0|2,0,0]=4 6579 B10R1.126 CC(=O)OCOCC1CC1 34a_100000211283_100009813279 [1,0,0,1,0,0|2,0,0]=4 6580 B10R1.126 CC(=O)OCSCC1CC1 62a_100000076356_100000742324 [1,0,0,1,0,0|2,0,0]=4 6581 B10R1.126 CC(=O)OCSCC1CC1 62a_100000756562_100000076356 [1,0,0,1,0,0|2,0,0]=4 6582 B10R1.127 CC(=CCCN1CCC1)C 269982a_100000754969_100011217483 [1,0,0,1,0,0|2,0,0]=4 6583 B10R1.127 CC(=CCNC1CCC1)C 2230a_100000749019_100000761012 [1,0,0,1,0,0|2,0,0]=4 6584 B10R1.127 CC(=CCNC1CCC1)C 270004a_100000718196_100000241760 [1,0,0,1,0,0|2,0,0]=4 6585 B10R1.127 CC(=CCNC1CCC1)C 34a_100000718196_100000749161 [1,0,0,1,0,0|2,0,0]=4 6586 B10R1.127 CC(=CCNC1CCC1)C 34a_100000749019_100000761012 [1,0,0,1,0,0|2,0,0]=4 6587 B10R1.127 CC(=CCOC1CCC1)C 34a_100000748187_100000761012 [1,0,0,1,0,0|2,0,0]=4 6588 B10R1.127 CC(=CCOC1CCC1)C 34a_100000753907_100000749161 [1,0,0,1,0,0|2,0,0]=4 6589 B10R1.127 CC(=CCSC1CCC1)C 62a_100000761012_100000749161 [1,0,0,1,0,0|2,0,0]=4 6590 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [1,0,0,1,0,0|1,0,1]=4 6591 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [1,0,0,1,0,0|1,0,1]=4 6592 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [1,0,0,1,0,0|1,0,1]=4 6593 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [1,0,0,1,0,0|1,0,1]=4 6594 B10R1.127 CC(=O)NCCN1CCC1 240690a_100000691440_100015343762 [1,0,0,1,0,0|2,0,0]=4 6595 B10R1.127 CC(=O)NCCN1CCC1 269982a_100000754969_100000189650 [1,0,0,1,0,0|2,0,0]=4 6596 B10R1.127 CC(=O)NNCC1CCC1 22a_200020586977_100000070787 [1,0,0,1,0,0|2,0,0]=4 6597 B10R1.127 CC(=O)OCCN1CCC1 269982a_100000754969_100009814007 [1,0,0,1,0,0|2,0,0]=4 6598 B10R1.127 CC(=O)OCNC1CCC1 34a_100000749019_100009813279 [1,0,0,1,0,0|2,0,0]=4 6599 B10R1.127 CC(=O)OCOC1CCC1 34a_100000748187_100009813279 [1,0,0,1,0,0|2,0,0]=4 6600 B10R1.127 CC(=O)OCSC1CCC1 62a_100000076356_100000749161 [1,0,0,1,0,0|2,0,0]=4 6601 B10R1.162 CCN1CCCNC(=O)C1 2230a_100015190381_100000210202 [1,0,0,1,0,0|2,0,0]=4 6602 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [1,0,0,1,0,0|0,0,1]=3 6603 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [1,0,0,1,0,0|0,0,1]=3 6604 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [1,0,0,1,0,0|1,0,0]=3 6605 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [1,0,0,1,0,0|1,0,0]=3 6606 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [1,0,0,1,0,0|1,0,0]=3 6607 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [1,0,0,1,0,0|1,0,0]=3 6608 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [1,0,0,1,0,0|2,0,0]=4 6609 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [1,0,0,1,0,0|2,0,0]=4 6610 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [1,0,0,1,0,0|2,0,0]=4 6611 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [1,0,0,1,0,0|2,0,0]=4 6612 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [1,0,0,1,0,0|0,0,1]=3 6613 B10R1.4 CC1CCCCN1CC=O 2230a_100000211376_200015260668 [1,0,0,1,0,0|1,0,1]=4 6614 B10R1.4 CC1CCCCN1CC=O 269982a_100000211376_200015260668 [1,0,0,1,0,0|1,0,1]=4 6615 B10R1.4 CC1CCCCN1CC=O 34a_100000211376_200009817547 [1,0,0,1,0,0|1,0,1]=4 6616 B10R1.5 CCC1CCCN1CC=O 2230a_100000754278_200015260668 [1,0,0,1,0,0|1,0,1]=4 6617 B10R1.5 CCC1CCCN1CC=O 269982a_100000754278_200015260668 [1,0,0,1,0,0|1,0,1]=4 6618 B10R1.5 CCC1CCCN1CC=O 34a_100000754278_200009817547 [1,0,0,1,0,0|1,0,1]=4 6619 B10R1.17 CC=NNC1CCCCC1 4a_100000709804_200000210099 [1,0,0,1,0,0|2,0,0]=4 6620 B10R1.17 CCCCN1CC=CCC1 2230a_100000698166_100000210211 [1,0,0,1,0,0|1,0,1]=4 6621 B10R1.17 CCCCN1CC=CCC1 269982a_100000698166_100000210211 [1,0,0,1,0,0|1,0,1]=4 6622 B10R1.17 CCCCN1CC=CCC1 34a_100000698166_100000210210 [1,0,0,1,0,0|1,0,1]=4 6623 B10R1.17 CCCOC1CC=CCC1 34a_100000073881_100000210303 [1,0,0,1,0,0|1,0,1]=4 6624 B10R1.17 CCNCC1CC=CCC1 270004a_100015525214_100000189434 [1,0,0,1,0,0|1,0,1]=4 6625 B10R1.17 CCOCC1CC=CCC1 34a_100000210713_100000210202 [1,0,0,1,0,0|1,0,1]=4 6626 B10R1.17 O=CCNC1CCCCC1 2230a_100000182618_200015260668 [1,0,0,1,0,0|1,0,1]=4 6627 B10R1.17 O=CCNC1CCCCC1 34a_100000182618_200009817547 [1,0,0,1,0,0|1,0,1]=4 6628 B10R1.17 O=CCOC1CCCCC1 34a_100000210231_200009817547 [1,0,0,1,0,0|1,0,1]=4 6629 B10R1.17 O=CCOC1CCCCC1 7a_100000210231_200015260668 [1,0,0,1,0,0|1,0,1]=4 6630 B10R1.17 O=CCSC1CCCCC1 62a_100000210327_200015260668 [1,0,0,1,0,0|1,0,1]=4 6631 B10R1.17 O=CCSC1CCCCC1 62a_200015260668_100000210327 [1,0,0,1,0,0|1,0,1]=4 6632 B10R1.21 C/C=C/CNC1CCCC1 34a_100000211070_100102629194 [1,0,0,1,0,0|1,0,1]=4 6633 B10R1.21 C/C=C/COC1CCCC1 34a_100000210269_100102629194 [1,0,0,1,0,0|1,0,1]=4 6634 B10R1.21 C/C=C/COC1CCCC1 34a_100016270725_100000179811 [1,0,0,1,0,0|1,0,1]=4 6635 B10R1.21 C/C=C/COC1CCCC1 7a_100000210269_100102629194 [1,0,0,1,0,0|1,0,1]=4 6636 B10R1.21 C/C=C/CSC1CCCC1 62a_100011217020_100102629194 [1,0,0,1,0,0|1,0,1]=4 6637 B10R1.21 C/C=C/CSC1CCCC1 62a_100102629194_100000179811 [1,0,0,1,0,0|1,0,1]=4 6638 B10R1.21 CC/C=C\CN1CCCC1 2230a_100000188435_100103147603 [1,0,0,1,0,0|1,0,1]=4 6639 B10R1.21 CC/C=C\CN1CCCC1 269982a_100000188435_100103147603 [1,0,0,1,0,0|1,0,1]=4 6640 B10R1.21 CC=CCNC1CCCC1 2230a_100000211070_100000070051 [1,0,0,1,0,0|1,0,1]=4 6641 B10R1.21 CC=CCNC1CCCC1 34a_100000211070_100000070051 [1,0,0,1,0,0|1,0,1]=4 6642 B10R1.21 CC=CCOC1CCCC1 34a_100000210269_100000070051 [1,0,0,1,0,0|1,0,1]=4 6643 B10R1.21 CC=CCOC1CCCC1 7a_100000210269_100000070051 [1,0,0,1,0,0|1,0,1]=4 6644 B10R1.21 CC=CCSC1CCCC1 62a_100000070051_100000179811 [1,0,0,1,0,0|1,0,1]=4 6645 B10R1.21 CC=CCSC1CCCC1 62a_100011217020_100000070051 [1,0,0,1,0,0|1,0,1]=4 6646 B10R1.21 CCCCCN1CC=CC1 269982a_100015195280_100000210215 [1,0,0,1,0,0|1,0,1]=4 6647 B10R1.21 CCCCNC1CC=CC1 2230a_100015188752_100000210211 [1,0,0,1,0,0|1,0,1]=4 6648 B10R1.21 CCCOCC1CC=CC1 34a_100000688395_100000210303 [1,0,0,1,0,0|1,0,1]=4 6649 B10R1.21 O=CCNCC1CCCC1 2230a_100000737975_200015260668 [1,0,0,1,0,0|1,0,1]=4 6650 B10R1.21 O=CCNCC1CCCC1 34a_100000737975_200009817547 [1,0,0,1,0,0|1,0,1]=4 6651 B10R1.21 O=CCOCC1CCCC1 34a_100000742336_200009817547 [1,0,0,1,0,0|1,0,1]=4 6652 B10R1.21 O=CCOCC1CCCC1 7a_100000742336_200015260668 [1,0,0,1,0,0|1,0,1]=4 6653 B10R1.21 O=CCSCC1CCCC1 62a_100000740388_200015260668 [1,0,0,1,0,0|1,0,1]=4 6654 B10R1.21 O=CCSCC1CCCC1 62a_200015260668_100000740388 [1,0,0,1,0,0|1,0,1]=4 6655 B10R1.29 C/C=C/CN1CCC[C@@H]1C 269982a_100020605311_100102629194 [1,0,0,1,0,0|1,0,1]=4 6656 B10R1.29 C/C=C/CN1CCC[C@H]1C 269982a_100015189458_100102629194 [1,0,0,1,0,0|1,0,1]=4 6657 B10R1.29 C/C=C/CN1CCC[C@H]1C 34a_100015189458_100102629194 [1,0,0,1,0,0|1,0,1]=4 6658 B10R1.29 CC1CCCC1OCC=O 34a_100011216460_200009817547 [1,0,0,1,0,0|1,0,1]=4 6659 B10R1.29 CC1CCCC1OCC=O 7a_100011216460_200015260668 [1,0,0,1,0,0|1,0,1]=4 6660 B10R1.29 CC=CCN1CCC[C@@H]1C 2230a_100020605311_100000070051 [1,0,0,1,0,0|1,0,1]=4 6661 B10R1.29 CC=CCN1CCC[C@H]1C 2230a_100015189458_100000070051 [1,0,0,1,0,0|1,0,1]=4 6662 B10R1.29 CC=CCN1CCC[C@H]1C 34a_100015189458_100000070051 [1,0,0,1,0,0|1,0,1]=4 6663 B10R1.29 CCCCc1sccc1C 271570a_100020621405_100000742657 [1,0,0,1,0,0|1,0,1]=4 6664 B10R1.37 CC/C=C\CN1CCC1C 269982a_100000755817_100103147603 [1,0,0,1,0,0|1,0,1]=4 6665 B10R1.37 CC/C=C\CN1CCC1C 34a_100000755817_100103147603 [1,0,0,1,0,0|1,0,1]=4 6666 B10R1.57 C/C=C/CCOC1CCC1 34a_100016278192_100000749161 [1,0,0,1,0,0|1,0,1]=4 6667 B10R1.57 C/C=C/CNCC1CCC1 34a_100000738700_100102629194 [1,0,0,1,0,0|1,0,1]=4 6668 B10R1.57 C/C=C/COCC1CCC1 34a_100000760304_100102629194 [1,0,0,1,0,0|1,0,1]=4 6669 B10R1.57 C/C=C/COCC1CCC1 34a_100016270725_100000763275 [1,0,0,1,0,0|1,0,1]=4 6670 B10R1.57 C/C=C/CSCC1CCC1 62a_100000763275_100102629194 [1,0,0,1,0,0|1,0,1]=4 6671 B10R1.57 C/C=C/CSCC1CCC1 62a_100102629194_100000763275 [1,0,0,1,0,0|1,0,1]=4 6672 B10R1.57 CC/C=C\CCN1CCC1 269982a_100000754969_100015370543 [1,0,0,1,0,0|1,0,1]=4 6673 B10R1.57 CC/C=C\CNC1CCC1 2230a_100000749019_100103147603 [1,0,0,1,0,0|1,0,1]=4 6674 B10R1.57 CC/C=C\CNC1CCC1 34a_100000749019_100103147603 [1,0,0,1,0,0|1,0,1]=4 6675 B10R1.57 CC/C=C\COC1CCC1 34a_100000748187_100103147603 [1,0,0,1,0,0|1,0,1]=4 6676 B10R1.57 CC/C=C\COC1CCC1 34a_100016268518_100000749161 [1,0,0,1,0,0|1,0,1]=4 6677 B10R1.57 CC/C=C\CSC1CCC1 62a_100103147603_100000749161 [1,0,0,1,0,0|1,0,1]=4 6678 B10R1.57 CC=CCNCC1CCC1 2230a_100000738700_100000070051 [1,0,0,1,0,0|1,0,1]=4 6679 B10R1.57 CC=CCNCC1CCC1 34a_100000738700_100000070051 [1,0,0,1,0,0|1,0,1]=4 6680 B10R1.57 CC=CCOCC1CCC1 34a_100000760304_100000070051 [1,0,0,1,0,0|1,0,1]=4 6681 B10R1.57 CC=CCSCC1CCC1 62a_100000070051_100000763275 [1,0,0,1,0,0|1,0,1]=4 6682 B10R1.57 CC=CCSCC1CCC1 62a_100000763275_100000070051 [1,0,0,1,0,0|1,0,1]=4 6683 B10R1.85 O=CCN1CCCCCC1 2230a_100000185865_200015260668 [1,0,0,1,0,0|1,0,1]=4 6684 B10R1.85 O=CCN1CCCCCC1 269982a_100000185865_200015260668 [1,0,0,1,0,0|1,0,1]=4 6685 B10R1.85 O=CCN1CCCCCC1 34a_100000185865_200009817547 [1,0,0,1,0,0|1,0,1]=4 6686 B10R1.161 CNC1CC/C=C\CCC1 34a_100102657272_100021000466 [1,0,0,1,0,0|1,0,1]=4 6687 B10R1.161 CNC1CC/C=C\CCC1 7a_106832991635_100021000466 [1,0,0,1,0,0|1,0,1]=4 6688 B10R1.161 COC1CC/C=C\CCC1 34a_100016989180_200000210301 [1,0,0,1,0,0|1,0,1]=4 6689 B10R1.161 COC1CC/C=C\CCC1 34a_100138415774_100021000466 [1,0,0,1,0,0|1,0,1]=4 6690 B10R1.161 CSC1CC/C=C\CCC1 62a_100021000466_200000210301 [1,0,0,1,0,0|1,0,1]=4 6691 B10R1.161 CSC1CC/C=C\CCC1 62a_200000210301_100021000466 [1,0,0,1,0,0|1,0,1]=4 6692 B10R1.161 [13CH3]OC1CC/C=C\CCC1 34a_100016989180_200025704644 [1,0,0,1,0,0|1,0,1]=4 6693 B10R1.161 [13CH3]SC1CC/C=C\CCC1 62a_100021000466_200025704644 [1,0,0,1,0,0|1,0,1]=4 6694 B10R1.161 [13CH3]SC1CC/C=C\CCC1 62a_200025704644_100021000466 [1,0,0,1,0,0|1,0,1]=4 6695 B12R1.7 CCCCCCN1CNC(=O)C1 2230a_200000708111_100000210314 [0,1,0,1,0,0|1,0,1]=4 6696 B12R1.7 CCCCCCc1ccc(s1)O 271570a_203496583355_100009817186 [0,1,0,1,0,0|1,0,1]=4 6697 B12R1.7 CCCCCCc1cn(nn1)C 274090a_200000210301_200000032506 [0,1,0,1,0,0|2,0,0]=4 6698 B12R1.7 CCCCCCc1cn(nn1)[13CH3] 274090a_200025704644_200000032506 [0,1,0,1,0,0|2,0,0]=4 6699 B12R1.7 CCCCCCc1nc(no1)C 270196a_100000212224_100102632555 [0,1,0,1,0,0|1,0,1]=4 6700 B12R1.7 CCCCCCc1noc(n1)C 270196a_100011218096_100000070787 [0,1,0,1,0,0|1,0,1]=4 6701 B12R1.7 CCCCCCn1cc(nn1)C 274090a_100000210314_200000242740 [0,1,0,1,0,0|2,0,0]=4 6702 B12R1.7 CCCCCNC1CNC(=O)C1 2230a_100000697751_100000210326 [0,1,0,1,0,0|1,0,1]=4 6703 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [0,1,0,1,0,0|0,0,2]=4 6704 B12R1.7 CCCCCOC1CNC(=O)C1 34a_100000690082_100000718602 [0,1,0,1,0,0|1,0,1]=4 6705 B12R1.7 CCCCCSc1c[nH]c(n1)C 62a_100000210326_100009814057 [0,1,0,1,0,0|2,0,0]=4 6706 B12R1.7 CCCCCSc1c[nH]c(n1)C 62a_100009814057_100000210326 [0,1,0,1,0,0|2,0,0]=4 6707 B12R1.7 CCCCCSc1cc([nH]n1)C 62a_100000210326_100009819999 [0,1,0,1,0,0|2,0,0]=4 6708 B12R1.7 CCCCCSc1cc([nH]n1)C 62a_100009819999_100000210326 [0,1,0,1,0,0|2,0,0]=4 6709 B12R1.7 CCCCCSc1cc(cs1)C 62a_100000210326_100009876951 [0,1,0,1,0,0|1,1,0]=4 6710 B12R1.7 CCCCCSc1cc(cs1)C 62a_100009876951_100000210326 [0,1,0,1,0,0|1,1,0]=4 6711 B12R1.7 CCCCCSc1cc(ns1)C 62a_100000210326_100009815735 [0,1,0,1,0,0|1,1,0]=4 6712 B12R1.7 CCCCCSc1cc(ns1)C 62a_100009815735_100000210326 [0,1,0,1,0,0|1,1,0]=4 6713 B12R1.7 CCCCCSc1cc(on1)C 62a_100000210326_100000716708 [0,1,0,1,0,0|1,0,1]=4 6714 B12R1.7 CCCCCSc1cc(on1)C 62a_100000716708_100000210326 [0,1,0,1,0,0|1,0,1]=4 6715 B12R1.7 CCCCCSc1ccc(s1)C 62a_100000031368_100000210326 [0,1,0,1,0,0|0,1,1]=4 6716 B12R1.7 CCCCCSc1ccc(s1)C 62a_100000210326_100000031368 [0,1,0,1,0,0|0,1,1]=4 6717 B12R1.7 CCCCCSc1cnc(s1)C 62a_100000210326_100000764884 [0,1,0,1,0,0|1,1,0]=4 6718 B12R1.7 CCCCCSc1cnc(s1)C 62a_100000764884_100000210326 [0,1,0,1,0,0|1,1,0]=4 6719 B12R1.7 CCCCCSc1csc(c1)C 62a_100000210326_100000759034 [0,1,0,1,0,0|1,1,0]=4 6720 B12R1.7 CCCCCSc1csc(c1)C 62a_100000759034_100000210326 [0,1,0,1,0,0|1,1,0]=4 6721 B12R1.7 CCCCCSc1csc(n1)C 62a_100000210326_100011934587 [0,1,0,1,0,0|2,0,0]=4 6722 B12R1.7 CCCCCSc1csc(n1)C 62a_100011934587_100000210326 [0,1,0,1,0,0|2,0,0]=4 6723 B12R1.7 CCCCCSc1nc(c[nH]1)C 62a_100000210326_100161115468 [0,1,0,1,0,0|2,0,0]=4 6724 B12R1.7 CCCCCSc1nc(c[nH]1)C 62a_100161115468_100000210326 [0,1,0,1,0,0|2,0,0]=4 6725 B12R1.7 CCCCCSc1nc(cs1)C 62a_100000210326_100011291629 [0,1,0,1,0,0|2,0,0]=4 6726 B12R1.7 CCCCCSc1nc(cs1)C 62a_100011291629_100000210326 [0,1,0,1,0,0|2,0,0]=4 6727 B12R1.7 CCCCCSc1ncc(s1)C 62a_100000210326_100000690809 [0,1,0,1,0,0|1,1,0]=4 6728 B12R1.7 CCCCCSc1ncc(s1)C 62a_100000690809_100000210326 [0,1,0,1,0,0|1,1,0]=4 6729 B12R1.7 CCCCNCC1CNC(=O)C1 2230a_100016993742_100000210211 [0,1,0,1,0,0|1,0,1]=4 6730 B12R1.7 CCCCNCC1CNC(=O)C1 34a_100016993742_100000210210 [0,1,0,1,0,0|1,0,1]=4 6731 B12R1.7 CCCCNCc1c[nH]c(n1)C 207a_100000102301_100011219055 [0,1,0,1,0,0|2,0,0]=4 6732 B12R1.7 CCCCNCc1cc(cs1)C 207a_100000102301_100102525248 [0,1,0,1,0,0|1,1,0]=4 6733 B12R1.7 CCCCNCc1cc(cs1)C 2230a_100015204214_100000210211 [0,1,0,1,0,0|1,1,0]=4 6734 B12R1.7 CCCCNCc1cc(cs1)C 270004a_100000102301_100102525248 [0,1,0,1,0,0|1,1,0]=4 6735 B12R1.7 CCCCNCc1cc(cs1)C 34a_100015204214_100000210210 [0,1,0,1,0,0|1,1,0]=4 6736 B12R1.7 CCCCNCc1cc(n[nH]1)C 207a_100000102301_100000028150 [0,1,0,1,0,0|2,0,0]=4 6737 B12R1.7 CCCCNCc1cc(n[nH]1)C 270004a_100000102301_100000028150 [0,1,0,1,0,0|2,0,0]=4 6738 B12R1.7 CCCCNCc1cc(no1)C 207a_100000102301_100011794430 [0,1,0,1,0,0|1,0,1]=4 6739 B12R1.7 CCCCNCc1cc(no1)C 2230a_100000102301_100000707947 [0,1,0,1,0,0|1,0,1]=4 6740 B12R1.7 CCCCNCc1cc(no1)C 2230a_100000745748_100000210211 [0,1,0,1,0,0|1,0,1]=4 6741 B12R1.7 CCCCNCc1cc(no1)C 270004a_100000102301_100011794430 [0,1,0,1,0,0|1,0,1]=4 6742 B12R1.7 CCCCNCc1cc(no1)C 34a_100000745748_100000210210 [0,1,0,1,0,0|1,0,1]=4 6743 B12R1.7 CCCCNCc1cc(no1)C 7a_106832991798_100000707947 [0,1,0,1,0,0|1,0,1]=4 6744 B12R1.7 CCCCNCc1cc(on1)C 207a_100000102301_100011217994 [0,1,0,1,0,0|1,0,1]=4 6745 B12R1.7 CCCCNCc1cc(on1)C 2230a_100000102301_100000199038 [0,1,0,1,0,0|1,0,1]=4 6746 B12R1.7 CCCCNCc1cc(on1)C 2230a_100000745230_100000210211 [0,1,0,1,0,0|1,0,1]=4 6747 B12R1.7 CCCCNCc1cc(on1)C 270004a_100000102301_100011217994 [0,1,0,1,0,0|1,0,1]=4 6748 B12R1.7 CCCCNCc1cc(on1)C 34a_100000745230_100000210210 [0,1,0,1,0,0|1,0,1]=4 6749 B12R1.7 CCCCNCc1cc(on1)C 7a_106832991798_100000199038 [0,1,0,1,0,0|1,0,1]=4 6750 B12R1.7 CCCCNCc1cc(sn1)C 207a_100000102301_200000100279 [0,1,0,1,0,0|1,1,0]=4 6751 B12R1.7 CCCCNCc1cc(sn1)C 270004a_100000102301_200000100279 [0,1,0,1,0,0|1,1,0]=4 6752 B12R1.7 CCCCNCc1ccc(o1)C 207a_100000102301_100000183696 [0,1,0,1,0,0|0,0,2]=4 6753 B12R1.7 CCCCNCc1ccc(o1)C 270004a_100000102301_100000183696 [0,1,0,1,0,0|0,0,2]=4 6754 B12R1.7 CCCCNCc1ccc(o1)C 34a_100011194323_100000210210 [0,1,0,1,0,0|0,0,2]=4 6755 B12R1.7 CCCCNCc1ccc(s1)C 207a_100000102301_100000211121 [0,1,0,1,0,0|0,1,1]=4 6756 B12R1.7 CCCCNCc1ccc(s1)C 2230a_100000238518_100000210211 [0,1,0,1,0,0|0,1,1]=4 6757 B12R1.7 CCCCNCc1ccc(s1)C 270004a_100000102301_100000211121 [0,1,0,1,0,0|0,1,1]=4 6758 B12R1.7 CCCCNCc1cnc(o1)C 207a_100000102301_100000084308 [0,1,0,1,0,0|1,0,1]=4 6759 B12R1.7 CCCCNCc1cnc(o1)C 270004a_100000102301_100000084308 [0,1,0,1,0,0|1,0,1]=4 6760 B12R1.7 CCCCNCc1cnc(s1)C 207a_100000102301_100000740557 [0,1,0,1,0,0|1,1,0]=4 6761 B12R1.7 CCCCNCc1cnc(s1)C 2230a_100000102301_100020635045 [0,1,0,1,0,0|1,1,0]=4 6762 B12R1.7 CCCCNCc1cnc(s1)C 2230a_200000743601_100000210211 [0,1,0,1,0,0|1,1,0]=4 6763 B12R1.7 CCCCNCc1cnc(s1)C 270004a_100000102301_100000740557 [0,1,0,1,0,0|1,1,0]=4 6764 B12R1.7 CCCCNCc1cnc(s1)C 7a_106832991798_100020635045 [0,1,0,1,0,0|1,1,0]=4 6765 B12R1.7 CCCCNCc1coc(n1)C 207a_100000102301_100011361629 [0,1,0,1,0,0|2,0,0]=4 6766 B12R1.7 CCCCNCc1coc(n1)C 270004a_100000102301_100011361629 [0,1,0,1,0,0|2,0,0]=4 6767 B12R1.7 CCCCNCc1csc(c1)C 207a_100000102301_100011998532 [0,1,0,1,0,0|1,1,0]=4 6768 B12R1.7 CCCCNCc1csc(c1)C 270004a_100000102301_100011998532 [0,1,0,1,0,0|1,1,0]=4 6769 B12R1.7 CCCCNCc1csc(n1)C 207a_100000102301_100000203724 [0,1,0,1,0,0|2,0,0]=4 6770 B12R1.7 CCCCNCc1csc(n1)C 2230a_100000102301_100015186478 [0,1,0,1,0,0|2,0,0]=4 6771 B12R1.7 CCCCNCc1csc(n1)C 270004a_100000102301_100000203724 [0,1,0,1,0,0|2,0,0]=4 6772 B12R1.7 CCCCNCc1csc(n1)C 34a_100000707933_100000210210 [0,1,0,1,0,0|2,0,0]=4 6773 B12R1.7 CCCCNCc1csc(n1)C 7a_106832991798_100015186478 [0,1,0,1,0,0|2,0,0]=4 6774 B12R1.7 CCCCNCc1nc(c[nH]1)C 207a_100000102301_100000082322 [0,1,0,1,0,0|2,0,0]=4 6775 B12R1.7 CCCCNCc1nc(c[nH]1)C 270004a_100000102301_100000082322 [0,1,0,1,0,0|2,0,0]=4 6776 B12R1.7 CCCCNCc1nc(cs1)C 207a_100000102301_100000756994 [0,1,0,1,0,0|2,0,0]=4 6777 B12R1.7 CCCCNCc1nc(cs1)C 2230a_100015183719_100000210211 [0,1,0,1,0,0|2,0,0]=4 6778 B12R1.7 CCCCNCc1nc(cs1)C 270004a_100000102301_100000756994 [0,1,0,1,0,0|2,0,0]=4 6779 B12R1.7 CCCCNCc1ncc(o1)C 2230a_100138411809_100000210211 [0,1,0,1,0,0|1,0,1]=4 6780 B12R1.7 CCCCNCc1ncc(o1)C 34a_100138411809_100000210210 [0,1,0,1,0,0|1,0,1]=4 6781 B12R1.7 CCCCNCc1ncc(s1)C 207a_100000102301_100011361622 [0,1,0,1,0,0|1,1,0]=4 6782 B12R1.7 CCCCNCc1ncc(s1)C 270004a_100000102301_100011361622 [0,1,0,1,0,0|1,1,0]=4 6783 B12R1.7 CCCCOCC1=CC(=O)OC1 34a_100000210227_100000716558 [0,1,0,1,0,0|1,0,0]=3 6784 B12R1.7 CCCCOCC1CNC(=O)C1 34a_100016041077_100000210210 [0,1,0,1,0,0|1,0,1]=4 6785 B12R1.7 CCCCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000210210 [0,1,0,1,0,0|1,0,1]=4 6786 B12R1.7 CCCCOCc1cc(cs1)C 34a_200000068372_100000210210 [0,1,0,1,0,0|1,1,0]=4 6787 B12R1.7 CCCCOCc1cc(cs1)C 7a_200000068372_100000210211 [0,1,0,1,0,0|1,1,0]=4 6788 B12R1.7 CCCCOCc1cc(no1)C 34a_100000210227_100000707947 [0,1,0,1,0,0|1,0,1]=4 6789 B12R1.7 CCCCOCc1cc(no1)C 34a_100000684692_100000210210 [0,1,0,1,0,0|1,0,1]=4 6790 B12R1.7 CCCCOCc1cc(no1)C 7a_100000210227_100000707947 [0,1,0,1,0,0|1,0,1]=4 6791 B12R1.7 CCCCOCc1cc(on1)C 34a_100000210227_100000199038 [0,1,0,1,0,0|1,0,1]=4 6792 B12R1.7 CCCCOCc1cc(on1)C 34a_100011216401_100000210210 [0,1,0,1,0,0|1,0,1]=4 6793 B12R1.7 CCCCOCc1cc(on1)C 7a_100000210227_100000199038 [0,1,0,1,0,0|1,0,1]=4 6794 B12R1.7 CCCCOCc1ccc(o1)C 34a_100011232665_100000210210 [0,1,0,1,0,0|0,0,2]=4 6795 B12R1.7 CCCCOCc1ccc(o1)C 7a_100011232665_100000210211 [0,1,0,1,0,0|0,0,2]=4 6796 B12R1.7 CCCCOCc1ccc(s1)C 34a_100000238367_100000210210 [0,1,0,1,0,0|0,1,1]=4 6797 B12R1.7 CCCCOCc1cnc(s1)C 34a_100000210227_100020635045 [0,1,0,1,0,0|1,1,0]=4 6798 B12R1.7 CCCCOCc1cnc(s1)C 7a_100000210227_100020635045 [0,1,0,1,0,0|1,1,0]=4 6799 B12R1.7 CCCCOCc1cnc(s1)C 7a_100000743366_100000210211 [0,1,0,1,0,0|1,1,0]=4 6800 B12R1.7 CCCCOCc1coc(n1)C 34a_100012017233_100000210210 [0,1,0,1,0,0|2,0,0]=4 6801 B12R1.7 CCCCOCc1csc(n1)C 34a_100000210227_100015186478 [0,1,0,1,0,0|2,0,0]=4 6802 B12R1.7 CCCCOCc1csc(n1)C 34a_100000735831_100000210210 [0,1,0,1,0,0|2,0,0]=4 6803 B12R1.7 CCCCOCc1csc(n1)C 7a_100000210227_100015186478 [0,1,0,1,0,0|2,0,0]=4 6804 B12R1.7 CCCCSCC1=CC(=O)OC1 62a_100000210211_100000716558 [0,1,0,1,0,0|1,0,0]=3 6805 B12R1.7 CCCCSCC1=CC(=O)OC1 62a_100000716558_100000210210 [0,1,0,1,0,0|1,0,0]=3 6806 B12R1.7 CCCCSCc1cc(no1)C 62a_100000210211_100000707947 [0,1,0,1,0,0|1,0,1]=4 6807 B12R1.7 CCCCSCc1cc(no1)C 62a_100000707947_100000210210 [0,1,0,1,0,0|1,0,1]=4 6808 B12R1.7 CCCCSCc1cc(on1)C 62a_100000199038_100000210210 [0,1,0,1,0,0|1,0,1]=4 6809 B12R1.7 CCCCSCc1cc(on1)C 62a_100000210211_100000199038 [0,1,0,1,0,0|1,0,1]=4 6810 B12R1.7 CCCCSCc1cnc(s1)C 62a_100000210211_100020635045 [0,1,0,1,0,0|1,1,0]=4 6811 B12R1.7 CCCCSCc1cnc(s1)C 62a_100020635045_100000210210 [0,1,0,1,0,0|1,1,0]=4 6812 B12R1.7 CCCCSCc1csc(n1)C 62a_100000210211_100015186478 [0,1,0,1,0,0|2,0,0]=4 6813 B12R1.7 CCCCSCc1csc(n1)C 62a_100015186478_100000210210 [0,1,0,1,0,0|2,0,0]=4 6814 B12R1.7 CCCNCCc1ccc(o1)C 2230a_100000739271_100000210303 [0,1,0,1,0,0|0,0,2]=4 6815 B12R1.7 CCCNCCc1ccc(o1)C 34a_100000739271_100000210303 [0,1,0,1,0,0|0,0,2]=4 6816 B12R1.7 CCCNCCc1csc(n1)C 2230a_102495365028_100000210303 [0,1,0,1,0,0|2,0,0]=4 6817 B12R1.7 CCCNCCc1csc(n1)C 34a_102495365028_100000210303 [0,1,0,1,0,0|2,0,0]=4 6818 B12R1.7 CCCNCCc1nc(cs1)C 2230a_100000736835_100000210303 [0,1,0,1,0,0|2,0,0]=4 6819 B12R1.7 CCCOCCc1ccc(o1)C 34a_100012161071_100000210303 [0,1,0,1,0,0|0,0,2]=4 6820 B12R1.7 CCCOCCc1ccc(o1)C 7a_100012161071_100000210303 [0,1,0,1,0,0|0,0,2]=4 6821 B12R1.7 CCCOCCc1csc(n1)C 34a_100000210258_100000695623 [0,1,0,1,0,0|2,0,0]=4 6822 B12R1.7 CCCOCCc1csc(n1)C 34a_100011934828_100000210303 [0,1,0,1,0,0|2,0,0]=4 6823 B12R1.7 CCCSCCc1csc(n1)C 62a_100000210303_100000695623 [0,1,0,1,0,0|2,0,0]=4 6824 B12R1.7 CCCSCCc1csc(n1)C 62a_100000695623_100000210303 [0,1,0,1,0,0|2,0,0]=4 6825 B12R1.7 CCCSCCn1ccc(n1)C 62a_100000210303_200011934056 [0,1,0,1,0,0|2,0,0]=4 6826 B12R1.7 CCCSCCn1ccc(n1)C 62a_200011934056_100000210303 [0,1,0,1,0,0|2,0,0]=4 6827 B12R1.7 CCNCCCc1nc(cs1)C 2230a_100000749783_100000210202 [0,1,0,1,0,0|2,0,0]=4 6828 B12R1.7 CCOCSCC1=CC(=O)OC1 62a_100000716558_100000739092 [0,1,0,1,0,0|2,0,0]=4 6829 B12R1.7 CCOCSCC1=CC(=O)OC1 62a_100000739092_100000716558 [0,1,0,1,0,0|2,0,0]=4 6830 B12R1.7 COCCOCC1=CC(=O)OC1 34a_100000210237_100000716558 [0,1,0,1,0,0|2,0,0]=4 6831 B12R1.7 COCCSCC1=CC(=O)OC1 62a_100000233755_100000716558 [0,1,0,1,0,0|2,0,0]=4 6832 B12R1.7 COCCSCC1=CC(=O)OC1 62a_100000716558_100000233755 [0,1,0,1,0,0|2,0,0]=4 6833 B12R1.7 CSCCOCC1=CC(=O)OC1 34a_100000230434_100000716558 [0,1,0,1,0,0|2,0,0]=4 6834 B12R1.7 CSCCSCC1=CC(=O)OC1 62a_100000212216_100000716558 [0,1,0,1,0,0|2,0,0]=4 6835 B12R1.7 CSCCSCC1=CC(=O)OC1 62a_100000716558_100000751147 [0,1,0,1,0,0|2,0,0]=4 6836 B12R1.7 NCCCOCC1=CC(=O)OC1 34a_100000182051_100000716558 [0,1,0,1,0,0|2,0,0]=4 6837 B12R1.7 O=C1C=C(CO1)CNCCCF 34a_100015189416_100000716558 [0,1,0,1,0,0|2,0,0]=4 6838 B12R1.7 O=C1C=C(CO1)COCCCBr 34a_100011217188_100000716558 [0,1,0,1,0,0|2,0,0]=4 6839 B12R1.7 O=C1C=C(CO1)COCCCCl 34a_100000230001_100000716558 [0,1,0,1,0,0|2,0,0]=4 6840 B12R1.7 O=C1C=C(CO1)COCCCF 34a_100000759539_100000716558 [0,1,0,1,0,0|2,0,0]=4 6841 B12R1.7 O=C1C=C(CO1)CSCCCF 62a_100000716558_100011934791 [0,1,0,1,0,0|2,0,0]=4 6842 B12R1.7 O=C1C=C(CO1)CSCCCF 62a_100011934791_100000716558 [0,1,0,1,0,0|2,0,0]=4 6843 B12R1.7 O=C1C=C(CO1)CSCCCO 62a_100000716558_100011215043 [0,1,0,1,0,0|2,0,0]=4 6844 B12R1.7 O=C1C=C(CO1)CSCCCO 62a_100011215043_100000716558 [0,1,0,1,0,0|2,0,0]=4 6845 B12R1.107 C=C(C)CC(=O)C1CCCCC1 1458a_100000210647_100000748629 [0,1,0,1,0,0|1,0,1]=4 6846 B12R1.107 CC(=CC(=O)C1CCCCC1)C 1458a_100000211388_100000210327 [0,1,0,1,0,0|1,0,0]=3 6847 B12R1.107 CC(=CC(=O)C1CCCCC1)Cl 1458a_200042562850_100000210327 [0,1,0,1,0,0|1,0,0]=3 6848 B12R1.107 CC(=CC(=O)C1CCCCC1)I 1458a_100025716642_100000210327 [0,1,0,1,0,0|1,0,0]=3 6849 B12R1.107 CC(=CC(=O)C1CCCOC1)C 1458a_100000211388_100000693364 [0,1,0,1,0,0|2,0,0]=4 6850 B12R1.107 CC(=CC(=O)C1CCCOC1)Cl 1458a_200042562850_100000693364 [0,1,0,1,0,0|2,0,0]=4 6851 B12R1.107 CC(=CC(=O)C1CCCOC1)I 1458a_100025716642_100000693364 [0,1,0,1,0,0|2,0,0]=4 6852 B12R1.107 CC(=CC(=O)C1CCOCC1)C 1458a_100000211388_100011324220 [0,1,0,1,0,0|2,0,0]=4 6853 B12R1.107 CC(=CC(=O)C1CCOCC1)Cl 1458a_200042562850_100011324220 [0,1,0,1,0,0|2,0,0]=4 6854 B12R1.107 CC(=CC(=O)C1CCOCC1)I 1458a_100025716642_100011324220 [0,1,0,1,0,0|2,0,0]=4 6855 B12R1.107 CC(=O)CC(=O)C1CCCCC1 1458a_100000070787_100000241979 [0,1,0,1,0,0|0,0,1]=3 6856 B12R1.107 CC(=O)CC(=O)C1CCOCC1 1458a_100000070787_100000689883 [0,1,0,1,0,0|1,0,1]=4 6857 B12R1.107 CC(=O)CC(=O)N1CCCCC1 1458a_100000070787_100000183409 [0,1,0,1,0,0|1,0,1]=4 6858 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 11a_100025707633_100015343762 [0,1,0,1,0,0|1,0,1]=4 6859 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 1626a_100025707633_100015343762 [0,1,0,1,0,0|1,0,1]=4 6860 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 240690a_100025707633_100015343762 [0,1,0,1,0,0|1,0,1]=4 6861 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 527a_100025707633_100103153847 [0,1,0,1,0,0|1,0,1]=4 6862 B12R1.107 NC(=O)CC(=O)C1CCCCC1 1458a_100000210647_100000187820 [0,1,0,1,0,0|1,0,1]=4 6863 B12R1.107 NC(=O)CC(=O)C1CCCCC1 1458a_100134613110_100000210327 [0,1,0,1,0,0|1,0,1]=4 6864 B12R1.107 O=C(C=C(Cl)Cl)C1CCCCC1 1458a_100000137448_100000210327 [0,1,0,1,0,0|2,0,0]=4 6865 B12R1.107 O=C([O-])CC(=O)C1CCCCC1 1458a_100000210647_100020667443 [0,1,0,1,0,0|1,0,1]=4 6866 B12R1.144 C=C(C)CC(=O)C1CCCC1C 1458a_100000690547_100000748629 [0,1,0,1,0,0|1,0,1]=4 6867 B12R1.144 CC(=CC(=O)N1CCC[C@@H]1C)C 240690a_100020605311_100000211388 [0,1,0,1,0,0|2,0,0]=4 6868 B12R1.144 CC(=CC(=O)N1CCC[C@@H]1C)Cl 240690a_100020605311_200042562850 [0,1,0,1,0,0|2,0,0]=4 6869 B12R1.144 CC(=CC(=O)N1CCC[C@H]1C)C 11a_100015189458_100000211388 [0,1,0,1,0,0|2,0,0]=4 6870 B12R1.144 CC(=CC(=O)N1CCC[C@H]1C)C 240690a_100015189458_100000211388 [0,1,0,1,0,0|2,0,0]=4 6871 B12R1.144 CC(=CC(=O)N1CCC[C@H]1C)Cl 11a_100015189458_200042562850 [0,1,0,1,0,0|2,0,0]=4 6872 B12R1.144 CC(=CC(=O)N1CCC[C@H]1C)Cl 240690a_100015189458_200042562850 [0,1,0,1,0,0|2,0,0]=4 6873 B12R1.144 CC(=CC(=O)N1CCC[C@H]1C)I 11a_100015189458_100025716642 [0,1,0,1,0,0|2,0,0]=4 6874 B12R1.144 CC1CCCC1C(=O)CC(=O)N 1458a_100000690547_100000187820 [0,1,0,1,0,0|1,0,1]=4 6875 B12R1.144 CC1CCCC1C(=O)CC(=O)[O-] 1458a_100000690547_100020667443 [0,1,0,1,0,0|1,0,1]=4 6876 B12R1.152 CC(=O)NC(=O)CN1CCC1C 269982a_100000755817_100000183797 [0,1,0,1,0,0|2,0,0]=4 6877 B12R1.260 C=C(C)CC(=O)CC1CCCC1 1458a_100000210891_100000748629 [0,1,0,1,0,0|1,0,1]=4 6878 B12R1.260 CC(=CC(=O)CC1CCCC1)C 1458a_100000211388_100000740388 [0,1,0,1,0,0|1,0,0]=3 6879 B12R1.260 CC(=CC(=O)CC1CCCC1)Cl 1458a_200042562850_100000740388 [0,1,0,1,0,0|1,0,0]=3 6880 B12R1.260 CC(=CC(=O)CC1CCCC1)I 1458a_100025716642_100000740388 [0,1,0,1,0,0|1,0,0]=3 6881 B12R1.260 CC(=CC(=O)CC1CCCO1)C 1458a_100000211388_100000203698 [0,1,0,1,0,0|2,0,0]=4 6882 B12R1.260 CC(=CC(=O)CC1CCCO1)Cl 1458a_200042562850_100000203698 [0,1,0,1,0,0|2,0,0]=4 6883 B12R1.260 CC(=CC(=O)CC1CCCO1)I 1458a_100025716642_100000203698 [0,1,0,1,0,0|2,0,0]=4 6884 B12R1.260 CC(=CC(=O)CC1CCOC1)C 1458a_100000211388_100000702531 [0,1,0,1,0,0|2,0,0]=4 6885 B12R1.260 CC(=CC(=O)CC1CCOC1)Cl 1458a_200042562850_100000702531 [0,1,0,1,0,0|2,0,0]=4 6886 B12R1.260 CC(=CC(=O)CC1CCOC1)I 1458a_100025716642_100000702531 [0,1,0,1,0,0|2,0,0]=4 6887 B12R1.260 CC(=CC(=O)NC1CCCC1)C 11a_100000211070_100000211388 [0,1,0,1,0,0|2,0,0]=4 6888 B12R1.260 CC(=CC(=O)NC1CCCC1)C 1626a_100000211070_100000211388 [0,1,0,1,0,0|2,0,0]=4 6889 B12R1.260 CC(=CC(=O)NC1CCCC1)C 240690a_100000211070_100000211388 [0,1,0,1,0,0|2,0,0]=4 6890 B12R1.260 CC(=CC(=O)NC1CCCC1)Cl 11a_100000211070_200042562850 [0,1,0,1,0,0|2,0,0]=4 6891 B12R1.260 CC(=CC(=O)NC1CCCC1)Cl 1626a_100000211070_200042562850 [0,1,0,1,0,0|2,0,0]=4 6892 B12R1.260 CC(=CC(=O)NC1CCCC1)Cl 240690a_100000211070_200042562850 [0,1,0,1,0,0|2,0,0]=4 6893 B12R1.260 CC(=CC(=O)NC1CCCC1)I 11a_100000211070_100025716642 [0,1,0,1,0,0|2,0,0]=4 6894 B12R1.260 CC(=CC(=O)NC1CCCC1)I 1626a_100000211070_100025716642 [0,1,0,1,0,0|2,0,0]=4 6895 B12R1.260 CC(=O)CC(=O)NC1CCCC1 1458a_100000070787_100000183512 [0,1,0,1,0,0|1,0,1]=4 6896 B12R1.260 CC(=O)NC(=O)CN1CCCC1 269982a_100000188435_100000183797 [0,1,0,1,0,0|2,0,0]=4 6897 B12R1.260 NC(=O)CC(=O)CC1CCCC1 1458a_100000210891_100000187820 [0,1,0,1,0,0|1,0,1]=4 6898 B12R1.260 NC(=O)CC(=O)CC1CCCC1 1458a_100134613110_100000740388 [0,1,0,1,0,0|1,0,1]=4 6899 B12R1.260 O=C(C=C(Cl)Cl)CC1CCCC1 1458a_100000137448_100000740388 [0,1,0,1,0,0|2,0,0]=4 6900 B12R1.260 O=C([O-])CC(=O)CC1CCCC1 1458a_100000210891_100020667443 [0,1,0,1,0,0|1,0,1]=4 6901 B12R1.456 CCCCNC1CC(=O)NC1=O 2230a_100102712934_100000210211 [0,1,0,1,0,0|2,0,0]=4 6902 B12R1.1376 CC(=CC(=O)NCC1CCC1)C 11a_100000738700_100000211388 [0,1,0,1,0,0|2,0,0]=4 6903 B12R1.1376 CC(=CC(=O)NCC1CCC1)C 1626a_100000738700_100000211388 [0,1,0,1,0,0|2,0,0]=4 6904 B12R1.1376 CC(=CC(=O)NCC1CCC1)C 240690a_100000738700_100000211388 [0,1,0,1,0,0|2,0,0]=4 6905 B12R1.1376 CC(=CC(=O)NCC1CCC1)Cl 11a_100000738700_200042562850 [0,1,0,1,0,0|2,0,0]=4 6906 B12R1.1376 CC(=CC(=O)NCC1CCC1)Cl 1626a_100000738700_200042562850 [0,1,0,1,0,0|2,0,0]=4 6907 B12R1.1376 CC(=CC(=O)NCC1CCC1)Cl 240690a_100000738700_200042562850 [0,1,0,1,0,0|2,0,0]=4 6908 B12R1.1376 CC(=CC(=O)NCC1CCC1)I 11a_100000738700_100025716642 [0,1,0,1,0,0|2,0,0]=4 6909 B12R1.1376 CC(=CC(=O)NCC1CCC1)I 1626a_100000738700_100025716642 [0,1,0,1,0,0|2,0,0]=4 6910 B12R1.1377 CC(=CC(=O)CCCC1CO1)C 1458a_100000211388_100000733510 [0,1,0,1,0,0|2,0,0]=4 6911 B12R1.1377 CC(=CC(=O)CCCC1CO1)Cl 1458a_200042562850_100000733510 [0,1,0,1,0,0|2,0,0]=4 6912 B12R1.1377 CC(=CC(=O)CCCC1CO1)I 1458a_100025716642_100000733510 [0,1,0,1,0,0|2,0,0]=4 6913 B12R1.1377 CC(=CC(=O)NCCC1CC1)C 1626a_100000764129_100000211388 [0,1,0,1,0,0|2,0,0]=4 6914 B12R1.1377 CC(=CC(=O)NCCC1CC1)C 240690a_100000764129_100000211388 [0,1,0,1,0,0|2,0,0]=4 6915 B12R1.1377 CC(=CC(=O)NCCC1CC1)Cl 1626a_100000764129_200042562850 [0,1,0,1,0,0|2,0,0]=4 6916 B12R1.1377 CC(=CC(=O)NCCC1CC1)Cl 240690a_100000764129_200042562850 [0,1,0,1,0,0|2,0,0]=4 6917 B12R1.1377 CC(=CC(=O)NCCC1CC1)I 1626a_100000764129_100025716642 [0,1,0,1,0,0|2,0,0]=4 6918 B12R1.1377 CC(=O)NC(=O)CSCC1CC1 62a_100000756562_100000183797 [0,1,0,1,0,0|2,0,0]=4 6919 B12R1.1392 CC(=O)NC1CCCCCCC1 11a_100000211152_100015343762 [0,1,0,1,0,0|0,0,2]=4 6920 B12R1.1392 CC(=O)NC1CCCCCCC1 1626a_100000211152_100015343762 [0,1,0,1,0,0|0,0,2]=4 6921 B12R1.1392 CC(=O)NC1CCCCCCC1 240690a_100000211152_100015343762 [0,1,0,1,0,0|0,0,2]=4 6922 B12R1.1392 CC(=O)NC1CCCCCCC1 527a_100000211152_100103153847 [0,1,0,1,0,0|0,0,2]=4 6923 B12R1.1829 CC(=O)NC1(CCCCCC1)C 11a_100000704638_100015343762 [0,1,0,1,0,0|1,0,1]=4 6924 B12R1.1829 CC(=O)NC1(CCCCCC1)C 1626a_100000704638_100015343762 [0,1,0,1,0,0|1,0,1]=4 6925 B12R1.1829 CC(=O)NC1(CCCCCC1)C 240690a_100000704638_100015343762 [0,1,0,1,0,0|1,0,1]=4 6926 B12R1.1829 CC(=O)NC1(CCCCCC1)C 527a_100000704638_100103153847 [0,1,0,1,0,0|1,0,1]=4 6927 B12R1.143 CC(=CCCOCC1CC1C)C 34a_100000744939_100011217483 [0,1,0,1,0,0|1,0,1]=4 6928 B12R1.143 CC(=CCCOCC1CC1C)C 7a_100000744939_100011217483 [0,1,0,1,0,0|1,0,1]=4 6929 B12R1.143 CC(=O)CCCOCC1CC1C 34a_100000744939_100000685027 [0,1,0,1,0,0|0,0,2]=4 6930 B12R1.143 CC(=O)CCCOCC1CC1C 7a_100000744939_100011215641 [0,1,0,1,0,0|0,0,2]=4 6931 B12R1.143 CC(=O)NCCOCC1CC1C 7a_100000744939_100000189650 [0,1,0,1,0,0|1,0,1]=4 6932 B12R1.143 CC(=O)OCCOCC1CC1C 34a_100000744939_100009814007 [0,1,0,1,0,0|1,0,1]=4 6933 B12R1.143 CC(=O)OCCOCC1CC1C 7a_100000744939_100009814007 [0,1,0,1,0,0|1,0,1]=4 6934 B12R1.226 CC(=O)NCC1CCCC(C1)O 1626a_100011254705_100015343762 [0,1,0,1,0,0|1,0,1]=4 6935 B12R1.226 CC(=O)NCC1CCCC(C1)O 240690a_100011254705_100015343762 [0,1,0,1,0,0|1,0,1]=4 6936 B12R1.226 CC(=O)NCC1CCCC(C1)O 527a_100011254705_100103153847 [0,1,0,1,0,0|1,0,1]=4 6937 B12R1.261 CC(=O)N1CCCCC1C(C)C 11a_100000757267_100015343762 [0,1,0,1,0,0|1,0,1]=4 6938 B12R1.261 CC(=O)N1CCCCC1C(C)C 1626a_100000757267_100015343762 [0,1,0,1,0,0|1,0,1]=4 6939 B12R1.261 CC(=O)N1CCCCC1C(C)C 240690a_100000757267_100015343762 [0,1,0,1,0,0|1,0,1]=4 6940 B12R1.390 CC(=CCCNCCC1CC1)C 34a_100000764129_100011217483 [0,1,0,1,0,0|1,0,1]=4 6941 B12R1.390 CC(=CCCOCCC1CC1)C 34a_100000754188_100011217483 [0,1,0,1,0,0|1,0,1]=4 6942 B12R1.390 CC(=CCCOCCC1CC1)C 7a_100000754188_100011217483 [0,1,0,1,0,0|1,0,1]=4 6943 B12R1.390 CC(=CCCSCCC1CC1)C 62a_100000764125_100011217483 [0,1,0,1,0,0|1,0,1]=4 6944 B12R1.390 CC(=CCCSCCC1CC1)C 62a_100011217483_100000764125 [0,1,0,1,0,0|1,0,1]=4 6945 B12R1.390 CC(=O)CCCCNCC1CC1 34a_100000735609_100009817362 [0,1,0,1,0,0|0,0,2]=4 6946 B12R1.390 CC(=O)CCCCOCC1CC1 34a_100000211283_100009817362 [0,1,0,1,0,0|0,0,2]=4 6947 B12R1.390 CC(=O)CCCCSCC1CC1 62a_100000735457_100000742324 [0,1,0,1,0,0|0,0,2]=4 6948 B12R1.390 CC(=O)CCCCSCC1CC1 62a_100000756562_100000735457 [0,1,0,1,0,0|0,0,2]=4 6949 B12R1.390 CC(=O)CCCNCCC1CC1 34a_100000764129_100000685027 [0,1,0,1,0,0|0,0,2]=4 6950 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000754188_100000685027 [0,1,0,1,0,0|0,0,2]=4 6951 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000759063_100000694398 [0,1,0,1,0,0|0,0,2]=4 6952 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000754188_100011215641 [0,1,0,1,0,0|0,0,2]=4 6953 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000759063_100000764125 [0,1,0,1,0,0|0,0,2]=4 6954 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100000764125_100011215641 [0,1,0,1,0,0|0,0,2]=4 6955 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100011215641_100000764125 [0,1,0,1,0,0|0,0,2]=4 6956 B12R1.390 CC(=O)NCCCCNC1CC1 34a_200011368371_100000211595 [0,1,0,1,0,0|1,0,1]=4 6957 B12R1.390 CC(=O)NCCCNCC1CC1 269862a_100000736810_100000741477 [0,1,0,1,0,0|1,0,1]=4 6958 B12R1.390 CC(=O)NCCCNCC1CC1 34a_100000736810_100000742324 [0,1,0,1,0,0|1,0,1]=4 6959 B12R1.390 CC(=O)NCCCOCC1CC1 34a_100000752032_100000742324 [0,1,0,1,0,0|1,0,1]=4 6960 B12R1.390 CC(=O)NCCNCCC1CC1 2230a_100000209853_100000694398 [0,1,0,1,0,0|1,0,1]=4 6961 B12R1.390 CC(=O)NCCOCCC1CC1 34a_100000158858_100000694398 [0,1,0,1,0,0|1,0,1]=4 6962 B12R1.390 CC(=O)NCCOCCC1CC1 7a_100000754188_100000189650 [0,1,0,1,0,0|1,0,1]=4 6963 B12R1.390 CC(=O)NCCSCCC1CC1 62a_100000189650_100000764125 [0,1,0,1,0,0|1,0,1]=4 6964 B12R1.390 CC(=O)NCCSCCC1CC1 62a_100000764125_100000189650 [0,1,0,1,0,0|1,0,1]=4 6965 B12R1.390 CC(=O)OCCCCNC1CC1 34a_100000212008_100000033659 [0,1,0,1,0,0|1,0,1]=4 6966 B12R1.390 CC(=O)OCCCCOC1CC1 34a_100000073216_100000211595 [0,1,0,1,0,0|1,0,1]=4 6967 B12R1.390 CC(=O)OCCCCSC1CC1 62a_100000033659_100000211595 [0,1,0,1,0,0|1,0,1]=4 6968 B12R1.390 CC(=O)OCCCNCC1CC1 34a_100000735609_100000042594 [0,1,0,1,0,0|1,0,1]=4 6969 B12R1.390 CC(=O)OCCCOCC1CC1 34a_100000211283_100000042594 [0,1,0,1,0,0|1,0,1]=4 6970 B12R1.390 CC(=O)OCCCSCC1CC1 62a_100000042594_100000742324 [0,1,0,1,0,0|1,0,1]=4 6971 B12R1.390 CC(=O)OCCCSCC1CC1 62a_100000756562_100000042594 [0,1,0,1,0,0|1,0,1]=4 6972 B12R1.390 CC(=O)OCCNCCC1CC1 34a_100000764129_100009814007 [0,1,0,1,0,0|1,0,1]=4 6973 B12R1.390 CC(=O)OCCOCCC1CC1 34a_100000754188_100009814007 [0,1,0,1,0,0|1,0,1]=4 6974 B12R1.390 CC(=O)OCCOCCC1CC1 7a_100000754188_100009814007 [0,1,0,1,0,0|1,0,1]=4 6975 B12R1.390 CC(=O)OCCSCCC1CC1 62a_100000764125_100009814007 [0,1,0,1,0,0|1,0,1]=4 6976 B12R1.390 CC(=O)OCCSCCC1CC1 62a_100009814007_100000764125 [0,1,0,1,0,0|1,0,1]=4 6977 B12R1.390 CC(=O)SCCCCNC1CC1 34a_100000212008_200010402107 [0,1,0,1,0,0|1,0,1]=4 6978 B12R1.390 CC(=O)SCCCCSC1CC1 62a_200010402107_100000211595 [0,1,0,1,0,0|1,0,1]=4 6979 B12R1.390 CC(=O)SCCCNCC1CC1 2230a_100000735609_100000038929 [0,1,0,1,0,0|1,0,1]=4 6980 B12R1.390 CC(=O)SCCCNCC1CC1 34a_100000735609_100000038929 [0,1,0,1,0,0|1,0,1]=4 6981 B12R1.390 CC(=O)SCCCOCC1CC1 34a_100000211283_100000038929 [0,1,0,1,0,0|1,0,1]=4 6982 B12R1.390 CC(=O)SCCCSCC1CC1 62a_100000038929_100000742324 [0,1,0,1,0,0|1,0,1]=4 6983 B12R1.390 CC(=O)SCCCSCC1CC1 62a_100000756562_100000038929 [0,1,0,1,0,0|1,0,1]=4 6984 B12R1.392 CC(=O)N1CCCC1CC(C)C 11a_100000748429_100015343762 [0,1,0,1,0,0|1,0,1]=4 6985 B12R1.392 CC(=O)N1CCCC1CC(C)C 1626a_100000748429_100015343762 [0,1,0,1,0,0|1,0,1]=4 6986 B12R1.392 CC(=O)N1CCCC1CC(C)C 240690a_100000748429_100015343762 [0,1,0,1,0,0|1,0,1]=4 6987 B12R1.392 CC(=O)N1CCCC1CC(C)C 527a_100000748429_100103153847 [0,1,0,1,0,0|1,0,1]=4 6988 B12R1.25 CCCCc1cccc(=O)n1C 271570a_100020621405_100000726605 [0,1,0,1,0,0|0,0,2]=4 6989 B12R1.27 CCC(=O)C=CC1=CCCCC1 1458a_100016289660_100000210202 [0,1,0,1,0,0|0,0,2]=4 6990 B12R1.27 CCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210202 [0,1,0,1,0,0|0,0,0]=2 6991 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000210414_100011273959 [0,1,0,1,0,0|0,0,2]=4 6992 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210202 [0,1,0,1,0,0|0,0,2]=4 6993 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100000210414_100011935260 [0,1,0,1,0,0|1,0,1]=4 6994 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100011223303_100000210202 [0,1,0,1,0,0|1,0,1]=4 6995 B12R1.27 CCC(=O)COC1CCCCC1 34a_100000725409_100000210327 [0,1,0,1,0,0|1,0,1]=4 6996 B12R1.27 CCC(=O)COC1CCCCC1 7a_100000210231_100000747405 [0,1,0,1,0,0|1,0,1]=4 6997 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000210327_100000747405 [0,1,0,1,0,0|1,0,1]=4 6998 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000747405_100000210327 [0,1,0,1,0,0|1,0,1]=4 6999 B12R1.27 CCC(=O)NCC1CCCCC1 11a_100000210473_100000210414 [0,1,0,1,0,0|1,0,1]=4 7000 B12R1.27 CCC(=O)NCC1CCCCC1 1626a_100000210473_100000210414 [0,1,0,1,0,0|1,0,1]=4 7001 B12R1.27 CCC(=O)NCC1CCCCC1 240690a_100000210473_100000210414 [0,1,0,1,0,0|1,0,1]=4 7002 B12R1.27 CCC(=O)NCC1CCCCC1 527a_100000210473_100000210414 [0,1,0,1,0,0|1,0,1]=4 7003 B12R1.27 CCC(=O)NNC1CCCCC1 22a_100000709804_100000210414 [0,1,0,1,0,0|2,0,0]=4 7004 B12R1.27 CNC(=O)C=CC1=CCCCC1 1626a_100102657272_100016289660 [0,1,0,1,0,0|0,0,2]=4 7005 B12R1.27 CNC(=O)C=CC1=CCCCC1 240690a_100102657272_100016289660 [0,1,0,1,0,0|0,0,2]=4 7006 B12R1.27 CNC(=O)C=CC1CCCCC1 11a_106832991635_100102566626 [0,1,0,1,0,0|0,0,0]=2 7007 B12R1.27 CNC(=O)C=CC1CCCCC1 1626a_100102657272_100102566626 [0,1,0,1,0,0|0,0,0]=2 7008 B12R1.27 CNC(=O)C=CC1CCCCC1 240690a_100102657272_100102566626 [0,1,0,1,0,0|0,0,0]=2 7009 B12R1.27 CNC(=O)CCC1CCCCC1 11a_106832991635_100000211375 [0,1,0,1,0,0|0,0,2]=4 7010 B12R1.27 CNC(=O)CCC1CCCCC1 1626a_100102657272_100000211375 [0,1,0,1,0,0|0,0,2]=4 7011 B12R1.27 CNC(=O)CCC1CCCCC1 240690a_100102657272_100000211375 [0,1,0,1,0,0|0,0,2]=4 7012 B12R1.27 CNC(=O)CCC1CCCCC1 527a_100102657272_100000211375 [0,1,0,1,0,0|0,0,2]=4 7013 B12R1.27 CNC(=O)CNC1CCCCC1 2230a_100000182618_100000183359 [0,1,0,1,0,0|1,0,1]=4 7014 B12R1.27 CNC(=O)CNC1CCCCC1 270004a_100000693194_100000210434 [0,1,0,1,0,0|1,0,1]=4 7015 B12R1.27 CNC(=O)CNC1CCCCC1 34a_100000182618_100000183359 [0,1,0,1,0,0|1,0,1]=4 7016 B12R1.27 CNC(=O)COC1CCCCC1 11a_106832991635_100011223303 [0,1,0,1,0,0|1,0,1]=4 7017 B12R1.27 CNC(=O)COC1CCCCC1 1626a_100102657272_100011223303 [0,1,0,1,0,0|1,0,1]=4 7018 B12R1.27 CNC(=O)COC1CCCCC1 240690a_100102657272_100011223303 [0,1,0,1,0,0|1,0,1]=4 7019 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000210231_100000183359 [0,1,0,1,0,0|1,0,1]=4 7020 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000750040_100000210327 [0,1,0,1,0,0|1,0,1]=4 7021 B12R1.27 CNC(=O)COC1CCCCC1 527a_100102657272_100011223303 [0,1,0,1,0,0|1,0,1]=4 7022 B12R1.27 CNC(=O)COC1CCCCC1 7a_100000210231_100000183359 [0,1,0,1,0,0|1,0,1]=4 7023 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000183359_100000210327 [0,1,0,1,0,0|1,0,1]=4 7024 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000210327_100000183359 [0,1,0,1,0,0|1,0,1]=4 7025 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100000210473_106832991635 [0,1,0,1,0,0|1,0,1]=4 7026 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100102657272_100000210473 [0,1,0,1,0,0|1,0,1]=4 7027 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100000210473_100102657272 [0,1,0,1,0,0|1,0,1]=4 7028 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100102657272_100000210473 [0,1,0,1,0,0|1,0,1]=4 7029 B12R1.27 CNC(=O)NCC1CCCCC1 512a_106832991638_100000210473 [0,1,0,1,0,0|1,0,1]=4 7030 B12R1.27 CNC(=O)NNC1CCCCC1 273464a_100102657272_100000709804 [0,1,0,1,0,0|2,0,0]=4 7031 B12R1.27 COC(=O)CNC1CCCCC1 2230a_100000182618_100000747449 [0,1,0,1,0,0|1,0,1]=4 7032 B12R1.27 COC(=O)CNC1CCCCC1 34a_100000182618_100000747449 [0,1,0,1,0,0|1,0,1]=4 7033 B12R1.27 COC(=O)COC1CCCCC1 34a_100000210231_100000747449 [0,1,0,1,0,0|1,0,1]=4 7034 B12R1.27 COC(=O)COC1CCCCC1 7a_100000210231_100000747449 [0,1,0,1,0,0|1,0,1]=4 7035 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000210327_100000747449 [0,1,0,1,0,0|1,0,1]=4 7036 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000747449_100000210327 [0,1,0,1,0,0|1,0,1]=4 7037 B12R1.27 O=C(C=CC1=CCCCC1)CF 1458a_100016289660_100015361967 [0,1,0,1,0,0|0,0,2]=4 7038 B12R1.27 O=C(C=CC1CCCCC1)CF 1458a_100102566626_100015361967 [0,1,0,1,0,0|0,0,0]=2 7039 B12R1.27 O=C(CF)CCC1CCCCC1 1458a_100000211375_100015361967 [0,1,0,1,0,0|0,0,2]=4 7040 B12R1.27 O=C(CF)COC1CCCCC1 1458a_100011223303_100015361967 [0,1,0,1,0,0|1,0,1]=4 7041 B12R1.27 O=C(CO)CCC1CCCCC1 1458a_100000210174_100011273959 [0,1,0,1,0,0|0,0,2]=4 7042 B12R1.27 O=C(CO)COC1CCCCC1 1458a_100000210174_100011935260 [0,1,0,1,0,0|1,0,1]=4 7043 B12R1.27 O=C(CO)NCC1CCCCC1 240690a_100000210473_100000210174 [0,1,0,1,0,0|1,0,1]=4 7044 B12R1.27 O=C(CO)NCC1CCCCC1 527a_100000210473_100000210174 [0,1,0,1,0,0|1,0,1]=4 7045 B12R1.27 O=C(CO)NNC1CCCCC1 22a_100000709804_100000210174 [0,1,0,1,0,0|2,0,0]=4 7046 B12R1.77 CCC(=O)N1CCCCC1CC 11a_100000210034_100000210414 [0,1,0,1,0,0|1,0,1]=4 7047 B12R1.77 CCC(=O)N1CCCCC1CC 1626a_100000210034_100000210414 [0,1,0,1,0,0|1,0,1]=4 7048 B12R1.77 CCC(=O)N1CCCCC1CC 240690a_100000210034_100000210414 [0,1,0,1,0,0|1,0,1]=4 7049 B12R1.77 CCC(=O)N1CCCCC1CC 527a_100000210034_100000210414 [0,1,0,1,0,0|1,0,1]=4 7050 B12R1.77 CCC1CCCCN1C(=O)CO 240690a_100000210034_100000210174 [0,1,0,1,0,0|1,0,1]=4 7051 B12R1.77 CCC1CCCCN1C(=O)CO 527a_100000210034_100000210174 [0,1,0,1,0,0|1,0,1]=4 7052 B12R1.77 CCC1CCCCN1C(=O)NC 2708a_100102657272_100000210034 [0,1,0,1,0,0|1,0,1]=4 7053 B12R1.77 CCC1CCCCN1C(=O)NC 273464a_100102657272_100000210034 [0,1,0,1,0,0|1,0,1]=4 7054 B12R1.82 CCC(=O)CN1CCCC1CC 269982a_100000754278_100000747405 [0,1,0,1,0,0|1,0,1]=4 7055 B12R1.82 CCC1CCCN1CC(=O)NC 2230a_100000754278_100000183359 [0,1,0,1,0,0|1,0,1]=4 7056 B12R1.82 CCC1CCCN1CC(=O)NC 269982a_100000754278_100000183359 [0,1,0,1,0,0|1,0,1]=4 7057 B12R1.82 CCC1CCCN1CC(=O)NC 34a_100000754278_100000183359 [0,1,0,1,0,0|1,0,1]=4 7058 B12R1.82 CCC1CCCN1CC(=O)OC 2230a_100000754278_100000747449 [0,1,0,1,0,0|1,0,1]=4 7059 B12R1.82 CCC1CCCN1CC(=O)OC 269982a_100000754278_100000747449 [0,1,0,1,0,0|1,0,1]=4 7060 B12R1.82 CCC1CCCN1CC(=O)OC 34a_100000754278_100000747449 [0,1,0,1,0,0|1,0,1]=4 7061 B12R1.353 CCC(=O)COC1CCCC1C 7a_100011216460_100000747405 [0,1,0,1,0,0|1,0,1]=4 7062 B12R1.353 CNC(=O)CNC1CCCC1C 269862a_100000693194_100000752053 [0,1,0,1,0,0|1,0,1]=4 7063 B12R1.353 CNC(=O)COC1CCCC1C 34a_100011216460_100000183359 [0,1,0,1,0,0|1,0,1]=4 7064 B12R1.353 CNC(=O)COC1CCCC1C 7a_100011216460_100000183359 [0,1,0,1,0,0|1,0,1]=4 7065 B12R1.353 COC(=O)COC1CCCC1C 34a_100011216460_100000747449 [0,1,0,1,0,0|1,0,1]=4 7066 B12R1.353 COC(=O)COC1CCCC1C 7a_100011216460_100000747449 [0,1,0,1,0,0|1,0,1]=4 7067 B12R1.355 COC(=O)/C=C/CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000742655 [0,1,0,1,0,0|2,0,0]=4 7068 B12R1.355 COC(=O)/C=C/CN[C@@H]1C[C@H]1F 2230a_100025746932_100000742655 [0,1,0,1,0,0|2,0,0]=4 7069 B12R1.355 COC(=O)/C=C/CN[C@@H]1C[C@H]1F 34a_100025746932_100000742655 [0,1,0,1,0,0|2,0,0]=4 7070 B12R1.356 COC(=O)/C=C/CNC1CCC1 2230a_100000749019_100000742655 [0,1,0,1,0,0|1,0,0]=3 7071 B12R1.356 COC(=O)/C=C/CNC1CCC1 34a_100000749019_100000742655 [0,1,0,1,0,0|1,0,0]=3 7072 B12R1.356 COC(=O)/C=C/CNC1COC1 2230a_100016991112_100000742655 [0,1,0,1,0,0|2,0,0]=4 7073 B12R1.356 COC(=O)/C=C/COC1CCC1 34a_100000748187_100000742655 [0,1,0,1,0,0|1,0,0]=3 7074 B12R1.356 COC(=O)/C=C/COC1CSC1 7a_100000072292_100000742655 [0,1,0,1,0,0|2,0,0]=4 7075 B12R1.356 COC(=O)/C=C/CSC1CCC1 62a_100000742655_100000749161 [0,1,0,1,0,0|1,0,0]=3 7076 B12R1.356 COC(=O)/C=C/CSC1COC1 62a_100000742655_100009818527 [0,1,0,1,0,0|2,0,0]=4 7077 B12R1.356 COC(=O)C=NNCC1CCC1 4a_200020586977_200011823558 [0,1,0,1,0,0|2,0,0]=4 7078 B12R1.360 COC(=O)/C=C/CNCC1CC1 2230a_100000735609_100000742655 [0,1,0,1,0,0|1,0,0]=3 7079 B12R1.360 COC(=O)/C=C/CNCC1CC1 34a_100000735609_100000742655 [0,1,0,1,0,0|1,0,0]=3 7080 B12R1.360 COC(=O)/C=C/COCC1CC1 34a_100000211283_100000742655 [0,1,0,1,0,0|1,0,0]=3 7081 B12R1.360 COC(=O)/C=C/COC[C@@H]1CO1 34a_100000757423_100000742655 [0,1,0,1,0,0|2,0,0]=4 7082 B12R1.360 COC(=O)/C=C/CSCC1CC1 62a_100000742655_100000742324 [0,1,0,1,0,0|1,0,0]=3 7083 B12R1.360 COC(=O)/C=C/CSCC1CC1 62a_100000756562_100000742655 [0,1,0,1,0,0|1,0,0]=3 7084 B12R1.360 COC(=O)/C=C/CSCC1CO1 62a_100000742655_102125554688 [0,1,0,1,0,0|2,0,0]=4 7085 B12R1.360 COC(=O)/C=C/CSCC1CO1 62a_102125554688_100000742655 [0,1,0,1,0,0|2,0,0]=4 7086 B12R1.360 COC(=O)/C=C/CSCC1CS1 62a_100000031435_100000742655 [0,1,0,1,0,0|2,0,0]=4 7087 B12R1.360 COC(=O)/C=C/CSCC1CS1 62a_100000742655_100000031435 [0,1,0,1,0,0|2,0,0]=4 7088 B12R1.360 COC(=O)/C=C/CSC[C@@H]1CO1 62a_100000742655_100000745022 [0,1,0,1,0,0|2,0,0]=4 7089 B12R1.360 COC(=O)/C=C/CSC[C@@H]1CO1 62a_100000745022_100000742655 [0,1,0,1,0,0|2,0,0]=4 7090 B12R1.364 COC(=O)/C=C/CN1CCC1C 269982a_100000755817_100000742655 [0,1,0,1,0,0|1,0,0]=3 7091 B12R1.364 COC(=O)/C=C/CN1CCC1C 34a_100000755817_100000742655 [0,1,0,1,0,0|1,0,0]=3 7092 B12R1.371 CC1CCCCC1NC(=O)CO 240690a_100000211402_100000210174 [0,1,0,1,0,0|1,0,1]=4 7093 B12R1.371 CC1CCCCC1NC(=O)CO 527a_100000211402_100000210174 [0,1,0,1,0,0|1,0,1]=4 7094 B12R1.371 CCC(=O)CN1CCCCC1C 269982a_100000211376_100000747405 [0,1,0,1,0,0|1,0,1]=4 7095 B12R1.371 CCC(=O)NC1CCCCC1C 11a_100000211402_100000210414 [0,1,0,1,0,0|1,0,1]=4 7096 B12R1.371 CCC(=O)NC1CCCCC1C 1626a_100000211402_100000210414 [0,1,0,1,0,0|1,0,1]=4 7097 B12R1.371 CCC(=O)NC1CCCCC1C 240690a_100000211402_100000210414 [0,1,0,1,0,0|1,0,1]=4 7098 B12R1.371 CCC(=O)NC1CCCCC1C 527a_100000211402_100000210414 [0,1,0,1,0,0|1,0,1]=4 7099 B12R1.371 CNC(=O)CN1CCCCC1C 2230a_100000211376_100000183359 [0,1,0,1,0,0|1,0,1]=4 7100 B12R1.371 CNC(=O)CN1CCCCC1C 269982a_100000211376_100000183359 [0,1,0,1,0,0|1,0,1]=4 7101 B12R1.371 CNC(=O)CN1CCCCC1C 34a_100000211376_100000183359 [0,1,0,1,0,0|1,0,1]=4 7102 B12R1.371 CNC(=O)NC1CCCCC1C 2708a_100000211402_106832991635 [0,1,0,1,0,0|1,0,1]=4 7103 B12R1.371 CNC(=O)NC1CCCCC1C 2708a_100102657272_100000211402 [0,1,0,1,0,0|1,0,1]=4 7104 B12R1.371 CNC(=O)NC1CCCCC1C 273464a_100000211402_100102657272 [0,1,0,1,0,0|1,0,1]=4 7105 B12R1.371 CNC(=O)NC1CCCCC1C 273464a_100102657272_100000211402 [0,1,0,1,0,0|1,0,1]=4 7106 B12R1.371 CNC(=O)NC1CCCCC1C 512a_100000211402_100102657272 [0,1,0,1,0,0|1,0,1]=4 7107 B12R1.371 CNC(=O)NC1CCCCC1C 512a_106832991638_100000211402 [0,1,0,1,0,0|1,0,1]=4 7108 B12R1.371 COC(=O)CN1CCCCC1C 2230a_100000211376_100000747449 [0,1,0,1,0,0|1,0,1]=4 7109 B12R1.371 COC(=O)CN1CCCCC1C 269982a_100000211376_100000747449 [0,1,0,1,0,0|1,0,1]=4 7110 B12R1.371 COC(=O)CN1CCCCC1C 34a_100000211376_100000747449 [0,1,0,1,0,0|1,0,1]=4 7111 B12R1.383 CCCCCCOC1CCC1=O 34a_100000210259_100009892977 [0,1,0,1,0,0|1,0,1]=4 7112 B12R1.383 CCCCCCOC1CCC1=O 7a_100000210259_100009892977 [0,1,0,1,0,0|1,0,1]=4 7113 B12R1.383 CCCCCCSC1CCC1=O 62a_100000210314_100009892977 [0,1,0,1,0,0|1,0,1]=4 7114 B12R1.383 CCCCCCSC1CCC1=O 62a_100009892977_100000210757 [0,1,0,1,0,0|1,0,1]=4 7115 B12R1.477 CCC(=O)CCCC1CCCC1 1458a_100000210414_100011713738 [0,1,0,1,0,0|0,0,2]=4 7116 B12R1.477 CCC(=O)COCC1CCCC1 34a_100000725409_100000740388 [0,1,0,1,0,0|1,0,1]=4 7117 B12R1.477 CCC(=O)COCC1CCCC1 7a_100000742336_100000747405 [0,1,0,1,0,0|1,0,1]=4 7118 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000740388_100000747405 [0,1,0,1,0,0|1,0,1]=4 7119 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000747405_100000740388 [0,1,0,1,0,0|1,0,1]=4 7120 B12R1.477 CCC(=O)NCCC1CCCC1 11a_100000739158_100000210414 [0,1,0,1,0,0|1,0,1]=4 7121 B12R1.477 CCC(=O)NCCC1CCCC1 1626a_100000739158_100000210414 [0,1,0,1,0,0|1,0,1]=4 7122 B12R1.477 CCC(=O)NCCC1CCCC1 240690a_100000739158_100000210414 [0,1,0,1,0,0|1,0,1]=4 7123 B12R1.477 CCC(=O)NCCC1CCCC1 527a_100000739158_100000210414 [0,1,0,1,0,0|1,0,1]=4 7124 B12R1.477 CNC(=O)CNCC1CCCC1 2230a_100000693194_100000740388 [0,1,0,1,0,0|1,0,1]=4 7125 B12R1.477 CNC(=O)CNCC1CCCC1 2230a_100000737975_100000183359 [0,1,0,1,0,0|1,0,1]=4 7126 B12R1.477 CNC(=O)CNCC1CCCC1 269862a_100000693194_100000746403 [0,1,0,1,0,0|1,0,1]=4 7127 B12R1.477 CNC(=O)CNCC1CCCC1 34a_100000737975_100000183359 [0,1,0,1,0,0|1,0,1]=4 7128 B12R1.477 CNC(=O)COCC1CCCC1 34a_100000742336_100000183359 [0,1,0,1,0,0|1,0,1]=4 7129 B12R1.477 CNC(=O)COCC1CCCC1 34a_100000750040_100000740388 [0,1,0,1,0,0|1,0,1]=4 7130 B12R1.477 CNC(=O)COCC1CCCC1 7a_100000742336_100000183359 [0,1,0,1,0,0|1,0,1]=4 7131 B12R1.477 CNC(=O)CSCC1CCCC1 62a_100000183359_100000740388 [0,1,0,1,0,0|1,0,1]=4 7132 B12R1.477 CNC(=O)CSCC1CCCC1 62a_100000740388_100000183359 [0,1,0,1,0,0|1,0,1]=4 7133 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100000739158_106832991635 [0,1,0,1,0,0|1,0,1]=4 7134 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100102657272_100000739158 [0,1,0,1,0,0|1,0,1]=4 7135 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100000739158_100102657272 [0,1,0,1,0,0|1,0,1]=4 7136 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100102657272_100000739158 [0,1,0,1,0,0|1,0,1]=4 7137 B12R1.477 CNC(=O)NCCC1CCCC1 512a_100000739158_100102657272 [0,1,0,1,0,0|1,0,1]=4 7138 B12R1.477 CNC(=O)NCCC1CCCC1 512a_106832991638_100000739158 [0,1,0,1,0,0|1,0,1]=4 7139 B12R1.477 COC(=O)/C=C/CN1CCCC1 2230a_100000188435_100000742655 [0,1,0,1,0,0|1,0,0]=3 7140 B12R1.477 COC(=O)/C=C/CN1CCCC1 269982a_100000188435_100000742655 [0,1,0,1,0,0|1,0,0]=3 7141 B12R1.477 COC(=O)/C=C/CN1CCSC1 2230a_100011215254_100000742655 [0,1,0,1,0,0|2,0,0]=4 7142 B12R1.477 COC(=O)/C=C/CN1CCSC1 269982a_100011215254_100000742655 [0,1,0,1,0,0|2,0,0]=4 7143 B12R1.477 COC(=O)C=NNC1CCCC1 4a_100000737850_200011823558 [0,1,0,1,0,0|2,0,0]=4 7144 B12R1.477 COC(=O)CNCC1CCCC1 2230a_100000737975_100000747449 [0,1,0,1,0,0|1,0,1]=4 7145 B12R1.477 COC(=O)CNCC1CCCC1 34a_100000737975_100000747449 [0,1,0,1,0,0|1,0,1]=4 7146 B12R1.477 COC(=O)COCC1CCCC1 34a_100000742336_100000747449 [0,1,0,1,0,0|1,0,1]=4 7147 B12R1.477 COC(=O)COCC1CCCC1 7a_100000742336_100000747449 [0,1,0,1,0,0|1,0,1]=4 7148 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000740388_100000747449 [0,1,0,1,0,0|1,0,1]=4 7149 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000747449_100000740388 [0,1,0,1,0,0|1,0,1]=4 7150 B12R1.477 O=C(CO)CCCC1CCCC1 1458a_100000210174_100011713738 [0,1,0,1,0,0|0,0,2]=4 7151 B12R1.477 O=C(CO)NCCC1CCCC1 240690a_100000739158_100000210174 [0,1,0,1,0,0|1,0,1]=4 7152 B12R1.477 O=C(CO)NCCC1CCCC1 527a_100000739158_100000210174 [0,1,0,1,0,0|1,0,1]=4 7153 B12R1.1659 CCC(=O)N1CCCCCCC1 11a_100000211400_100000210414 [0,1,0,1,0,0|1,0,1]=4 7154 B12R1.1659 CCC(=O)N1CCCCCCC1 1626a_100000211400_100000210414 [0,1,0,1,0,0|1,0,1]=4 7155 B12R1.1659 CCC(=O)N1CCCCCCC1 240690a_100000211400_100000210414 [0,1,0,1,0,0|1,0,1]=4 7156 B12R1.1659 CCC(=O)N1CCCCCCC1 527a_100000211400_100000210414 [0,1,0,1,0,0|1,0,1]=4 7157 B12R1.1659 CNC(=O)N1CCCCCCC1 2708a_100102657272_100000211400 [0,1,0,1,0,0|1,0,1]=4 7158 B12R1.1659 CNC(=O)N1CCCCCCC1 273464a_100102657272_100000211400 [0,1,0,1,0,0|1,0,1]=4 7159 B12R1.1659 O=C(CO)N1CCCCCCC1 240690a_100000211400_100000210174 [0,1,0,1,0,0|1,0,1]=4 7160 B12R1.1659 O=C(CO)N1CCCCCCC1 527a_100000211400_100000210174 [0,1,0,1,0,0|1,0,1]=4 7161 B12R1.1748 CCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210202 [0,1,0,1,0,0|0,0,0]=2 7162 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000210414_200000696569 [0,1,0,1,0,0|0,0,2]=4 7163 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000685095_100000210202 [0,1,0,1,0,0|0,0,2]=4 7164 B12R1.1748 CCC(=O)CN1CCCCCC1 1458a_100000740298_100000210202 [0,1,0,1,0,0|1,0,1]=4 7165 B12R1.1748 CCC(=O)CN1CCCCCC1 269982a_100000185865_100000747405 [0,1,0,1,0,0|1,0,1]=4 7166 B12R1.1748 CCC(=O)NC1CCCCCC1 11a_100000210984_100000210414 [0,1,0,1,0,0|1,0,1]=4 7167 B12R1.1748 CCC(=O)NC1CCCCCC1 1626a_100000210984_100000210414 [0,1,0,1,0,0|1,0,1]=4 7168 B12R1.1748 CCC(=O)NC1CCCCCC1 240690a_100000210984_100000210414 [0,1,0,1,0,0|1,0,1]=4 7169 B12R1.1748 CCC(=O)NC1CCCCCC1 527a_100000210984_100000210414 [0,1,0,1,0,0|1,0,1]=4 7170 B12R1.1748 CNC(=O)C=C1CCCCCC1 11a_106832991635_100011240665 [0,1,0,1,0,0|0,0,0]=2 7171 B12R1.1748 CNC(=O)C=C1CCCCCC1 1626a_100102657272_100011240665 [0,1,0,1,0,0|0,0,0]=2 7172 B12R1.1748 CNC(=O)C=C1CCCCCC1 240690a_100102657272_100011240665 [0,1,0,1,0,0|0,0,0]=2 7173 B12R1.1748 CNC(=O)CC1CCCCCC1 11a_106832991635_100000685095 [0,1,0,1,0,0|0,0,2]=4 7174 B12R1.1748 CNC(=O)CC1CCCCCC1 1626a_100102657272_100000685095 [0,1,0,1,0,0|0,0,2]=4 7175 B12R1.1748 CNC(=O)CC1CCCCCC1 240690a_100102657272_100000685095 [0,1,0,1,0,0|0,0,2]=4 7176 B12R1.1748 CNC(=O)CC1CCCCCC1 527a_100102657272_100000685095 [0,1,0,1,0,0|0,0,2]=4 7177 B12R1.1748 CNC(=O)CN1CCCCCC1 11a_106832991635_100000740298 [0,1,0,1,0,0|1,0,1]=4 7178 B12R1.1748 CNC(=O)CN1CCCCCC1 2230a_100000185865_100000183359 [0,1,0,1,0,0|1,0,1]=4 7179 B12R1.1748 CNC(=O)CN1CCCCCC1 240690a_100102657272_100000740298 [0,1,0,1,0,0|1,0,1]=4 7180 B12R1.1748 CNC(=O)CN1CCCCCC1 269982a_100000185865_100000183359 [0,1,0,1,0,0|1,0,1]=4 7181 B12R1.1748 CNC(=O)CN1CCCCCC1 34a_100000185865_100000183359 [0,1,0,1,0,0|1,0,1]=4 7182 B12R1.1748 CNC(=O)CN1CCCCCC1 527a_100102657272_100000740298 [0,1,0,1,0,0|1,0,1]=4 7183 B12R1.1748 CNC(=O)NC1CCCCCC1 2708a_100000210984_106832991635 [0,1,0,1,0,0|1,0,1]=4 7184 B12R1.1748 CNC(=O)NC1CCCCCC1 2708a_100102657272_100000210984 [0,1,0,1,0,0|1,0,1]=4 7185 B12R1.1748 CNC(=O)NC1CCCCCC1 273464a_100000210984_100102657272 [0,1,0,1,0,0|1,0,1]=4 7186 B12R1.1748 CNC(=O)NC1CCCCCC1 273464a_100102657272_100000210984 [0,1,0,1,0,0|1,0,1]=4 7187 B12R1.1748 CNC(=O)NC1CCCCCC1 512a_106832991638_100000210984 [0,1,0,1,0,0|1,0,1]=4 7188 B12R1.1748 COC(=O)CN1CCCCCC1 2230a_100000185865_100000747449 [0,1,0,1,0,0|1,0,1]=4 7189 B12R1.1748 COC(=O)CN1CCCCCC1 269982a_100000185865_100000747449 [0,1,0,1,0,0|1,0,1]=4 7190 B12R1.1748 COC(=O)CN1CCCCCC1 34a_100000185865_100000747449 [0,1,0,1,0,0|1,0,1]=4 7191 B12R1.1748 O=C(C=C1CCCCCC1)CF 1458a_100011240665_100015361967 [0,1,0,1,0,0|0,0,0]=2 7192 B12R1.1748 O=C(CF)CC1CCCCCC1 1458a_100000685095_100015361967 [0,1,0,1,0,0|0,0,2]=4 7193 B12R1.1748 O=C(CF)CN1CCCCCC1 1458a_100000740298_100015361967 [0,1,0,1,0,0|1,0,1]=4 7194 B12R1.1748 O=C(CO)CC1CCCCCC1 1458a_100000210174_200000696569 [0,1,0,1,0,0|0,0,2]=4 7195 B12R1.1748 O=C(CO)NC1CCCCCC1 240690a_100000210984_100000210174 [0,1,0,1,0,0|1,0,1]=4 7196 B12R1.1748 O=C(CO)NC1CCCCCC1 527a_100000210984_100000210174 [0,1,0,1,0,0|1,0,1]=4 7197 B12R1.43 C=C(C)C(=O)CC1CCCCC1 1458a_100000185857_100000211423 [0,1,0,1,0,0|1,0,1]=4 7198 B12R1.43 C=C(C)C(=O)NC1CCCCC1 11a_100000182618_100000185857 [0,1,0,1,0,0|2,0,0]=4 7199 B12R1.43 C=C(C)C(=O)NC1CCCCC1 1626a_100000182618_100000185857 [0,1,0,1,0,0|2,0,0]=4 7200 B12R1.43 CC(=O)C(=O)NC1CCCCC1 1458a_200011297149_200000210301 [0,1,0,1,0,0|1,0,0]=3 7201 B12R1.43 CC(=O)C(C)CC1CCCCC1 1458a_200011416370_200000210301 [0,1,0,1,0,0|0,0,2]=4 7202 B12R1.43 CC(=O)C(C)NC1CCCCC1 2230a_100000182618_100009814033 [0,1,0,1,0,0|1,0,1]=4 7203 B12R1.43 CC(=O)C(C)OC1CCCCC1 34a_100000212229_100000210327 [0,1,0,1,0,0|1,0,1]=4 7204 B12R1.43 CC(=O)C(C)OC1CCCCC1 7a_100000210231_100000179758 [0,1,0,1,0,0|1,0,1]=4 7205 B12R1.43 CC(=O)C(C)SC1CCCCC1 62a_100000210327_100009814033 [0,1,0,1,0,0|1,0,1]=4 7206 B12R1.43 CC(=O)C(C)SC1CCCCC1 62a_100009814033_100000210327 [0,1,0,1,0,0|1,0,1]=4 7207 B12R1.43 CC(=O)N(C)CC1CCCCC1 11a_100000736448_100015343762 [0,1,0,1,0,0|1,0,1]=4 7208 B12R1.43 CC(=O)N(C)CC1CCCCC1 1626a_100000736448_100015343762 [0,1,0,1,0,0|1,0,1]=4 7209 B12R1.43 CC(=O)N(C)CC1CCCCC1 240690a_100000736448_100015343762 [0,1,0,1,0,0|1,0,1]=4 7210 B12R1.43 CC(=O)N(C)CC1CCCCC1 527a_100000736448_100103153847 [0,1,0,1,0,0|1,0,1]=4 7211 B12R1.43 CC(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_200000210301 [0,1,0,1,0,0|0,0,2]=4 7212 B12R1.43 CC(CC1CCCCC1)C(=O)[13CH3] 1458a_200011416370_200025704644 [0,1,0,1,0,0|0,0,2]=4 7213 B12R1.43 NC(=O)C(=O)NC1CCCCC1 240690a_100000182618_100011215815 [0,1,0,1,0,0|2,0,0]=4 7214 B12R1.43 [13CH3]C(=O)C(=O)NC1CCCCC1 1458a_200011297149_200025704644 [0,1,0,1,0,0|1,0,0]=3 7215 B12R1.43 [13CH3]C(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_200025704644 [0,1,0,1,0,0|0,0,2]=4 7216 B12R1.80 C=C(C)C(=O)N1CCCC1CC 11a_100000754278_100000185857 [0,1,0,1,0,0|2,0,0]=4 7217 B12R1.80 C=C(C)C(=O)N1CCCC1CC 1626a_100000754278_100000185857 [0,1,0,1,0,0|2,0,0]=4 7218 B12R1.80 CCC1CCCN1C(=O)C(=O)N 240690a_100000754278_100011215815 [0,1,0,1,0,0|2,0,0]=4 7219 B12R1.80 CCC1CCCN1C(C)C(=O)C 2230a_100000754278_100009814033 [0,1,0,1,0,0|1,0,1]=4 7220 B12R1.80 CCC1CCCN1C(C)C(=O)C 269982a_100000754278_100009814033 [0,1,0,1,0,0|1,0,1]=4 7221 B12R1.124 C=C(C)C(=O)N1CCCCC1C 11a_100000211376_100000185857 [0,1,0,1,0,0|2,0,0]=4 7222 B12R1.124 C=C(C)C(=O)N1CCCCC1C 1626a_100000211376_100000185857 [0,1,0,1,0,0|2,0,0]=4 7223 B12R1.124 CC(=O)C(C)N1CCCCC1C 2230a_100000211376_100009814033 [0,1,0,1,0,0|1,0,1]=4 7224 B12R1.124 CC(=O)C(C)N1CCCCC1C 269982a_100000211376_100009814033 [0,1,0,1,0,0|1,0,1]=4 7225 B12R1.124 CC1CCCCN1C(=O)C(=O)N 240690a_100000211376_100011215815 [0,1,0,1,0,0|2,0,0]=4 7226 B12R1.145 CC(=O)C(=O)CN1CCC[C@@H]1C 269982a_100020605311_100011261029 [0,1,0,1,0,0|1,0,1]=4 7227 B12R1.145 CC(=O)C(=O)CN1CCC[C@H]1C 269982a_100015189458_100011261029 [0,1,0,1,0,0|1,0,1]=4 7228 B12R1.145 CC(=O)C(=O)CN1CCC[C@H]1C 34a_100015189458_100011261029 [0,1,0,1,0,0|1,0,1]=4 7229 B12R1.145 CC(=O)C(C)OC1CCCC1C 7a_100011216460_100000179758 [0,1,0,1,0,0|1,0,1]=4 7230 B12R1.214 CC(=O)C(=O)COCC1CC1C 34a_100000744939_100011261029 [0,1,0,1,0,0|1,0,1]=4 7231 B12R1.264 C=C(C)C(=O)CCC1CCCC1 1458a_100000185857_100000760354 [0,1,0,1,0,0|1,0,1]=4 7232 B12R1.264 C=C(C)C(=O)NCC1CCCC1 11a_100000737975_100000185857 [0,1,0,1,0,0|2,0,0]=4 7233 B12R1.264 C=C(C)C(=O)NCC1CCCC1 1626a_100000737975_100000185857 [0,1,0,1,0,0|2,0,0]=4 7234 B12R1.264 CC(=O)C(=O)CNC1CCCC1 34a_100000211070_100011261029 [0,1,0,1,0,0|1,0,1]=4 7235 B12R1.264 CC(=O)C(=O)COC1CCCC1 34a_100000210269_100011261029 [0,1,0,1,0,0|1,0,1]=4 7236 B12R1.264 CC(=O)C(=O)CSC1CCCC1 62a_100011217020_100011261029 [0,1,0,1,0,0|1,0,1]=4 7237 B12R1.264 CC(=O)C(=O)CSC1CCCC1 62a_100011261029_100000179811 [0,1,0,1,0,0|1,0,1]=4 7238 B12R1.264 CC(=O)C(C)NCC1CCCC1 2230a_100000737975_100009814033 [0,1,0,1,0,0|1,0,1]=4 7239 B12R1.264 CC(=O)C(C)OCC1CCCC1 34a_100000212229_100000740388 [0,1,0,1,0,0|1,0,1]=4 7240 B12R1.264 CC(=O)C(C)OCC1CCCC1 7a_100000742336_100000179758 [0,1,0,1,0,0|1,0,1]=4 7241 B12R1.264 CC(=O)C(C)SCC1CCCC1 62a_100000740388_100009814033 [0,1,0,1,0,0|1,0,1]=4 7242 B12R1.264 CC(=O)C(C)SCC1CCCC1 62a_100009814033_100000740388 [0,1,0,1,0,0|1,0,1]=4 7243 B12R1.264 NC(=O)C(=O)NCC1CCCC1 240690a_100000737975_100011215815 [0,1,0,1,0,0|2,0,0]=4 7244 B12R1.337 CCCCc1cc(cs1)C(=O)C 271570a_100020621405_200012344231 [0,1,0,1,0,0|1,0,1]=4 7245 B12R1.337 CCCCc1ccc([nH]1)C(=O)C 271570a_100020621405_200010494458 [0,1,0,1,0,0|0,0,2]=4 7246 B12R1.337 CCCCc1ccc(o1)C(=O)C 271570a_100020621405_100000229899 [0,1,0,1,0,0|0,0,2]=4 7247 B12R1.337 CCCCc1ccc(s1)C(=O)C 271570a_100020621405_100000183331 [0,1,0,1,0,0|0,0,2]=4 7248 B12R1.337 CCCCc1ncc(s1)C(=O)C 271570a_100020621405_200010173910 [0,1,0,1,0,0|1,0,1]=4 7249 B12R1.457 CCCCNC1C=C(C(=O)O1)C 2230a_100000102301_200009893386 [0,1,0,1,0,0|2,0,0]=4 7250 B12R1.457 CCCCSC1C=C(C(=O)O1)C 62a_100000210211_200009893386 [0,1,0,1,0,0|2,0,0]=4 7251 B12R1.457 CCCCSC1C=C(C(=O)O1)C 62a_200009893386_100000210210 [0,1,0,1,0,0|2,0,0]=4 7252 B12R1.1335 CC(=O)N1CCCCCCCC1 11a_100000039187_100015343762 [0,1,0,1,0,0|0,0,2]=4 7253 B12R1.1335 CC(=O)N1CCCCCCCC1 1626a_100000039187_100015343762 [0,1,0,1,0,0|0,0,2]=4 7254 B12R1.1335 CC(=O)N1CCCCCCCC1 240690a_100000039187_100015343762 [0,1,0,1,0,0|0,0,2]=4 7255 B12R1.1335 CC(=O)N1CCCCCCCC1 527a_100000039187_100103153847 [0,1,0,1,0,0|0,0,2]=4 7256 B12R1.1396 CC(=O)C(=O)CNCC1CCC1 34a_100000738700_100011261029 [0,1,0,1,0,0|1,0,1]=4 7257 B12R1.1396 CC(=O)C(=O)COCC1CCC1 34a_100000760304_100011261029 [0,1,0,1,0,0|1,0,1]=4 7258 B12R1.1396 CC(=O)C(=O)CSCC1CCC1 62a_100000763275_100011261029 [0,1,0,1,0,0|1,0,1]=4 7259 B12R1.1396 CC(=O)C(=O)CSCC1CCC1 62a_100011261029_100000763275 [0,1,0,1,0,0|1,0,1]=4 7260 B12R1.1397 CC(=O)C(=O)CNCCC1CC1 34a_100000764129_100011261029 [0,1,0,1,0,0|1,0,1]=4 7261 B12R1.1397 CC(=O)C(=O)COCCC1CC1 34a_100000754188_100011261029 [0,1,0,1,0,0|1,0,1]=4 7262 B12R1.1397 CC(=O)C(=O)CSCCC1CC1 62a_100000764125_100011261029 [0,1,0,1,0,0|1,0,1]=4 7263 B12R1.1397 CC(=O)C(=O)CSCCC1CC1 62a_100011261029_100000764125 [0,1,0,1,0,0|1,0,1]=4 7264 B12R1.2197 C=C(C)C(=O)C1CCCCCC1 1458a_100000185857_100011217769 [0,1,0,1,0,0|1,0,1]=4 7265 B12R1.2197 C=C(C)C(=O)N1CCCCCC1 11a_100000185865_100000185857 [0,1,0,1,0,0|2,0,0]=4 7266 B12R1.2197 C=C(C)C(=O)N1CCCCCC1 1626a_100000185865_100000185857 [0,1,0,1,0,0|2,0,0]=4 7267 B12R1.2197 CC(=O)C(C)N1CCCCCC1 1458a_100000755792_200000210301 [0,1,0,1,0,0|1,0,1]=4 7268 B12R1.2197 CC(=O)C(C)N1CCCCCC1 2230a_100000185865_100009814033 [0,1,0,1,0,0|1,0,1]=4 7269 B12R1.2197 CC(=O)C(C)N1CCCCCC1 269982a_100000185865_100009814033 [0,1,0,1,0,0|1,0,1]=4 7270 B12R1.2197 CC(=O)N(C)C1CCCCCC1 11a_100015185097_100015343762 [0,1,0,1,0,0|1,0,1]=4 7271 B12R1.2197 CC(=O)N(C)C1CCCCCC1 1626a_100015185097_100015343762 [0,1,0,1,0,0|1,0,1]=4 7272 B12R1.2197 CC(=O)N(C)C1CCCCCC1 240690a_100015185097_100015343762 [0,1,0,1,0,0|1,0,1]=4 7273 B12R1.2197 CC(=O)N(C)C1CCCCCC1 527a_100015185097_100103153847 [0,1,0,1,0,0|1,0,1]=4 7274 B12R1.2197 CC(C(=O)[13CH3])N1CCCCCC1 1458a_100000755792_200025704644 [0,1,0,1,0,0|1,0,1]=4 7275 B12R1.2197 NC(=O)C(=O)N1CCCCCC1 240690a_100000185865_100011215815 [0,1,0,1,0,0|2,0,0]=4 7276 B12R1.59 CCC1CCC(C1)CCC(=O)C 1458a_200009887184_200000210301 [0,1,0,1,0,0|0,0,2]=4 7277 B12R1.59 CCC1CCC(C1)CCC(=O)[13CH3] 1458a_200009887184_200025704644 [0,1,0,1,0,0|0,0,2]=4 7278 B12R1.528 CCCCNC1C=CS(=O)(=O)C1 2230a_100000102301_100000702656 [0,1,0,1,0,0|2,0,0]=4 7279 B12R1.528 CCCCNC1C=CS(=O)(=O)C1 2230a_100000687631_100000210211 [0,1,0,1,0,0|2,0,0]=4 7280 B12R1.528 CCCCNC1C=CS(=O)(=O)C1 34a_100000687631_100000210210 [0,1,0,1,0,0|2,0,0]=4 7281 B12R1.528 CCCCOC1C=CS(=O)(=O)C1 34a_100000012158_100000210210 [0,1,0,1,0,0|2,0,0]=4 7282 B12R1.528 CCCCSC1C=CS(=O)(=O)C1 62a_100000210211_100000011004 [0,1,0,1,0,0|2,0,0]=4 7283 B12R1.528 CCCCSC1C=CS(=O)(=O)C1 62a_100000702656_100000210210 [0,1,0,1,0,0|2,0,0]=4 7284 B12R1.1343 CC(=CCN1CCCCCC1)C 2230a_100000185865_100000761012 [0,1,0,1,0,0|1,0,1]=4 7285 B12R1.1343 CC(=CCN1CCCCCC1)C 269982a_100000185865_100000761012 [0,1,0,1,0,0|1,0,1]=4 7286 B12R1.1343 CC(=CCN1CCCCCC1)C 34a_100000185865_100000761012 [0,1,0,1,0,0|1,0,1]=4 7287 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000070787_100000722644 [0,1,0,1,0,0|0,0,2]=4 7288 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000740320_200000210301 [0,1,0,1,0,0|0,0,2]=4 7289 B12R1.1343 CC(=O)CCN1CCCCCC1 269982a_100000185865_100000053229 [0,1,0,1,0,0|0,0,2]=4 7290 B12R1.1343 CC(=O)CNC1=NCCCCC1 1458a_100000016077_200000210301 [0,1,0,1,0,0|1,0,1]=4 7291 B12R1.1343 CC(=O)COC1CCCCCC1 34a_100000211253_100011217769 [0,1,0,1,0,0|0,0,2]=4 7292 B12R1.1343 CC(=O)NCC1CCCCCC1 11a_100015204231_100015343762 [0,1,0,1,0,0|0,0,2]=4 7293 B12R1.1343 CC(=O)NCC1CCCCCC1 1626a_100015204231_100015343762 [0,1,0,1,0,0|0,0,2]=4 7294 B12R1.1343 CC(=O)NCC1CCCCCC1 240690a_100015204231_100015343762 [0,1,0,1,0,0|0,0,2]=4 7295 B12R1.1343 CC(=O)NCC1CCCCCC1 527a_100015204231_100103153847 [0,1,0,1,0,0|0,0,2]=4 7296 B12R1.1343 CC(=O)NN=C1CCCCCC1 4a_100000189765_100000210131 [0,1,0,1,0,0|1,0,0]=3 7297 B12R1.1343 CC(=O)OCN1CCCCCC1 269982a_100000185865_100000076356 [0,1,0,1,0,0|1,0,1]=4 7298 B12R1.1343 CC(=O)OCN1CCCCCC1 34a_100000185865_100009813279 [0,1,0,1,0,0|1,0,1]=4 7299 B12R1.1343 [13CH3]C(=O)CCN1CCCCCC1 1458a_100000740320_200025704644 [0,1,0,1,0,0|0,0,2]=4 7300 B12R1.1343 [13CH3]C(=O)CNC1=NCCCCC1 1458a_100000016077_200025704644 [0,1,0,1,0,0|1,0,1]=4 7301 B12R1.3110 CC(=O)NCC1(CCCCC1)C 11a_100000706052_100015343762 [0,1,0,1,0,0|1,0,1]=4 7302 B12R1.3110 CC(=O)NCC1(CCCCC1)C 1626a_100000706052_100015343762 [0,1,0,1,0,0|1,0,1]=4 7303 B12R1.3110 CC(=O)NCC1(CCCCC1)C 240690a_100000706052_100015343762 [0,1,0,1,0,0|1,0,1]=4 7304 B12R1.3110 CC(=O)NCC1(CCCCC1)C 527a_100000706052_100103153847 [0,1,0,1,0,0|1,0,1]=4 7305 B12R1.3110 CC(=O)NCC1(CCCCC1)O 11a_100000748649_100015343762 [0,1,0,1,0,0|1,0,1]=4 7306 B12R1.3110 CC(=O)NCC1(CCCCC1)O 1626a_100000748649_100015343762 [0,1,0,1,0,0|1,0,1]=4 7307 B12R1.3110 CC(=O)NCC1(CCCCC1)O 240690a_100000748649_100015343762 [0,1,0,1,0,0|1,0,1]=4 7308 B12R1.3110 CC(=O)NCC1(CCCCC1)O 527a_100000748649_100103153847 [0,1,0,1,0,0|1,0,1]=4 7309 B12R1.21 CC(=O)COC1CCC(CC1)C 34a_100000211253_200011216234 [0,1,0,1,0,0|1,0,1]=4 7310 B12R1.21 CC(=O)NCC1CCC(CC1)C 11a_103436935547_100015343762 [0,1,0,1,0,0|1,0,1]=4 7311 B12R1.21 CC(=O)NCC1CCC(CC1)C 1626a_103436935547_100015343762 [0,1,0,1,0,0|1,0,1]=4 7312 B12R1.21 CC(=O)NCC1CCC(CC1)C 240690a_103436935547_100015343762 [0,1,0,1,0,0|1,0,1]=4 7313 B12R1.21 CC(=O)NCC1CCC(CC1)C 527a_103436935547_100103153847 [0,1,0,1,0,0|1,0,1]=4 7314 B12R1.224 CC(=O)NC1CCCC(C1C)C 11a_100000211273_100015343762 [0,1,0,1,0,0|1,0,1]=4 7315 B12R1.224 CC(=O)NC1CCCC(C1C)C 1626a_100000211273_100015343762 [0,1,0,1,0,0|1,0,1]=4 7316 B12R1.224 CC(=O)NC1CCCC(C1C)C 240690a_100000211273_100015343762 [0,1,0,1,0,0|1,0,1]=4 7317 B12R1.224 CC(=O)NC1CCCC(C1C)C 527a_100000211273_100103153847 [0,1,0,1,0,0|1,0,1]=4 7318 B12R1.229 CC(=O)CCCCN1CCC1C 269982a_100000755817_100000735457 [0,1,0,1,0,0|0,0,2]=4 7319 B12R1.229 CC(=O)CCCCN1CCC1C 34a_100000755817_100009817362 [0,1,0,1,0,0|0,0,2]=4 7320 B12R1.229 CC(=O)OCCCN1CCC1C 269982a_100000755817_100000042594 [0,1,0,1,0,0|1,0,1]=4 7321 B12R1.229 CC(=O)OCCCN1CCC1C 34a_100000755817_100000042594 [0,1,0,1,0,0|1,0,1]=4 7322 B12R1.229 CC(=O)SCCCN1CCC1C 269982a_100000755817_100000038929 [0,1,0,1,0,0|1,0,1]=4 7323 B12R1.229 CC(=O)SCCCN1CCC1C 34a_100000755817_100000038929 [0,1,0,1,0,0|1,0,1]=4 7324 B12R1.257 CC(=CC=NNCC1CCC1)C 4a_200020586977_100011215525 [0,1,0,1,0,0|2,0,0]=4 7325 B12R1.257 CC(=CCCNCC1CCC1)C 2230a_100000738700_100011217483 [0,1,0,1,0,0|1,0,1]=4 7326 B12R1.257 CC(=CCCNCC1CCC1)C 34a_100000738700_100011217483 [0,1,0,1,0,0|1,0,1]=4 7327 B12R1.257 CC(=CCCOCC1CCC1)C 34a_100000760304_100011217483 [0,1,0,1,0,0|1,0,1]=4 7328 B12R1.257 CC(=CCCSCC1CCC1)C 62a_100000763275_100011217483 [0,1,0,1,0,0|1,0,1]=4 7329 B12R1.257 CC(=CCCSCC1CCC1)C 62a_100011217483_100000763275 [0,1,0,1,0,0|1,0,1]=4 7330 B12R1.257 CC(=O)CCCCNC1CCC1 34a_100000749019_100009817362 [0,1,0,1,0,0|0,0,2]=4 7331 B12R1.257 CC(=O)CCCCOC1CCC1 34a_100000748187_100009817362 [0,1,0,1,0,0|0,0,2]=4 7332 B12R1.257 CC(=O)CCCCSC1CCC1 62a_100000735457_100000749161 [0,1,0,1,0,0|0,0,2]=4 7333 B12R1.257 CC(=O)CCCNCC1CCC1 34a_100000738700_100000685027 [0,1,0,1,0,0|0,0,2]=4 7334 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000759063_100000763275 [0,1,0,1,0,0|0,0,2]=4 7335 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000760304_100000685027 [0,1,0,1,0,0|0,0,2]=4 7336 B12R1.257 CC(=O)CCCOCC1CCC1 7a_100000759063_100000763275 [0,1,0,1,0,0|0,0,2]=4 7337 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100000763275_100011215641 [0,1,0,1,0,0|0,0,2]=4 7338 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100011215641_100000763275 [0,1,0,1,0,0|0,0,2]=4 7339 B12R1.257 CC(=O)NCCCNC1CCC1 270004a_100000736810_100000241760 [0,1,0,1,0,0|1,0,1]=4 7340 B12R1.257 CC(=O)NCCCNC1CCC1 34a_100000736810_100000749161 [0,1,0,1,0,0|1,0,1]=4 7341 B12R1.257 CC(=O)NCCCOC1CCC1 34a_100000752032_100000749161 [0,1,0,1,0,0|1,0,1]=4 7342 B12R1.257 CC(=O)NCCNCC1CCC1 2230a_100000209853_100000763275 [0,1,0,1,0,0|1,0,1]=4 7343 B12R1.257 CC(=O)NCCNCC1CCC1 2230a_100000738700_100000189650 [0,1,0,1,0,0|1,0,1]=4 7344 B12R1.257 CC(=O)NCCNCC1CCC1 269862a_100000209853_100000753134 [0,1,0,1,0,0|1,0,1]=4 7345 B12R1.257 CC(=O)NCCOCC1CCC1 34a_100000158858_100000763275 [0,1,0,1,0,0|1,0,1]=4 7346 B12R1.257 CC(=O)NCCSCC1CCC1 62a_100000189650_100000763275 [0,1,0,1,0,0|1,0,1]=4 7347 B12R1.257 CC(=O)NCCSCC1CCC1 62a_100000763275_100000189650 [0,1,0,1,0,0|1,0,1]=4 7348 B12R1.257 CC(=O)OCCCCN1CCC1 269982a_100000754969_100000033659 [0,1,0,1,0,0|1,0,1]=4 7349 B12R1.257 CC(=O)OCCCNC1CCC1 34a_100000749019_100000042594 [0,1,0,1,0,0|1,0,1]=4 7350 B12R1.257 CC(=O)OCCCOC1CCC1 34a_100000748187_100000042594 [0,1,0,1,0,0|1,0,1]=4 7351 B12R1.257 CC(=O)OCCCSC1CCC1 62a_100000042594_100000749161 [0,1,0,1,0,0|1,0,1]=4 7352 B12R1.257 CC(=O)OCCNCC1CCC1 34a_100000738700_100009814007 [0,1,0,1,0,0|1,0,1]=4 7353 B12R1.257 CC(=O)OCCOCC1CCC1 34a_100000760304_100009814007 [0,1,0,1,0,0|1,0,1]=4 7354 B12R1.257 CC(=O)OCCSCC1CCC1 62a_100000763275_100009814007 [0,1,0,1,0,0|1,0,1]=4 7355 B12R1.257 CC(=O)OCCSCC1CCC1 62a_100009814007_100000763275 [0,1,0,1,0,0|1,0,1]=4 7356 B12R1.257 CC(=O)SCCCCN1CCC1 269982a_100000754969_200010402107 [0,1,0,1,0,0|1,0,1]=4 7357 B12R1.257 CC(=O)SCCCNC1CCC1 2230a_100000749019_100000038929 [0,1,0,1,0,0|1,0,1]=4 7358 B12R1.257 CC(=O)SCCCNC1CCC1 34a_100000749019_100000038929 [0,1,0,1,0,0|1,0,1]=4 7359 B12R1.257 CC(=O)SCCCOC1CCC1 34a_100000748187_100000038929 [0,1,0,1,0,0|1,0,1]=4 7360 B12R1.257 CC(=O)SCCCSC1CCC1 62a_100000038929_100000749161 [0,1,0,1,0,0|1,0,1]=4 7361 B12R1.257 CC(=O)SCCNCC1CCC1 269862a_100020647217_100000753134 [0,1,0,1,0,0|1,0,1]=4 7362 B12R1.125 CC(=CCN1CCCCC1C)C 2230a_100000211376_100000761012 [0,1,0,1,0,0|1,0,1]=4 7363 B12R1.125 CC(=CCN1CCCCC1C)C 269982a_100000211376_100000761012 [0,1,0,1,0,0|1,0,1]=4 7364 B12R1.125 CC(=CCN1CCCCC1C)C 34a_100000211376_100000761012 [0,1,0,1,0,0|1,0,1]=4 7365 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000070787_100000211948 [0,1,0,1,0,0|0,0,2]=4 7366 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000718493_200000210301 [0,1,0,1,0,0|0,0,2]=4 7367 B12R1.125 CC(=O)CCN1CCCCC1C 269982a_100000211376_100000053229 [0,1,0,1,0,0|0,0,2]=4 7368 B12R1.125 CC(=O)COC1CCCCC1C 1458a_100011223357_200000210301 [0,1,0,1,0,0|0,0,2]=4 7369 B12R1.125 CC(=O)COC1CCCCC1F 34a_100000211253_100015423560 [0,1,0,1,0,0|1,0,1]=4 7370 B12R1.125 CC(=O)COC1CCCCC1O 34a_100000211253_100000038908 [0,1,0,1,0,0|1,0,1]=4 7371 B12R1.125 CC(=O)NCC1CCCCC1O 240690a_100011216029_100015343762 [0,1,0,1,0,0|1,0,1]=4 7372 B12R1.125 CC(=O)NCC1CCCCC1O 527a_100011216029_100103153847 [0,1,0,1,0,0|1,0,1]=4 7373 B12R1.125 CC(=O)NCC1CCCCN1C 240690a_100011228421_100015343762 [0,1,0,1,0,0|1,0,1]=4 7374 B12R1.125 CC(=O)NCC1CCCCN1C 527a_100011228421_100103153847 [0,1,0,1,0,0|1,0,1]=4 7375 B12R1.125 CC(=O)NN=C1CCCCC1C 4a_100000189765_100000210921 [0,1,0,1,0,0|1,0,0]=3 7376 B12R1.125 CC(=O)NN=C1CCCCC1F 4a_100000189765_100000061856 [0,1,0,1,0,0|2,0,0]=4 7377 B12R1.125 CC(=O)NN=C1CCCCC1O 4a_100000189765_100011214950 [0,1,0,1,0,0|2,0,0]=4 7378 B12R1.125 CC(=O)NN=C1CCNCC1C 4a_100000189765_100000703950 [0,1,0,1,0,0|2,0,0]=4 7379 B12R1.125 CC(=O)NN=C1CCOCC1C 4a_100000189765_100000755695 [0,1,0,1,0,0|2,0,0]=4 7380 B12R1.125 CC(=O)OCN1CCCCC1C 269982a_100000211376_100000076356 [0,1,0,1,0,0|1,0,1]=4 7381 B12R1.125 CC(=O)OCN1CCCCC1C 34a_100000211376_100009813279 [0,1,0,1,0,0|1,0,1]=4 7382 B12R1.125 CC1CCCCC1OCC(=O)[13CH3] 1458a_100011223357_200025704644 [0,1,0,1,0,0|0,0,2]=4 7383 B12R1.125 CN1CCCCC1CCC(=O)[13CH3] 1458a_100000718493_200025704644 [0,1,0,1,0,0|0,0,2]=4 7384 B12R1.252 C=C(C)C=NNC1CCCCC1 4a_100000709804_100000210575 [0,1,0,1,0,0|2,0,0]=4 7385 B12R1.252 CC(=CCNC1CCCCC1)C 2230a_100000182618_100000761012 [0,1,0,1,0,0|1,0,1]=4 7386 B12R1.252 CC(=CCNC1CCCCC1)C 270004a_100000718196_100000210434 [0,1,0,1,0,0|1,0,1]=4 7387 B12R1.252 CC(=CCNC1CCCCC1)C 34a_100000182618_100000761012 [0,1,0,1,0,0|1,0,1]=4 7388 B12R1.252 CC(=CCNC1CCCCC1)C 34a_100000718196_100000210327 [0,1,0,1,0,0|1,0,1]=4 7389 B12R1.252 CC(=CCOC1CCCCC1)C 34a_100000210231_100000761012 [0,1,0,1,0,0|1,0,1]=4 7390 B12R1.252 CC(=CCOC1CCCCC1)C 34a_100000753907_100000210327 [0,1,0,1,0,0|1,0,1]=4 7391 B12R1.252 CC(=CCOC1CCCCC1)C 7a_100000210231_100000761012 [0,1,0,1,0,0|1,0,1]=4 7392 B12R1.252 CC(=CCSC1CCCCC1)C 62a_100000210327_100000761012 [0,1,0,1,0,0|1,0,1]=4 7393 B12R1.252 CC(=CCSC1CCCCC1)C 62a_100000761012_100000210327 [0,1,0,1,0,0|1,0,1]=4 7394 B12R1.252 CC(=O)C=CCN1CCCCC1 1458a_100015232380_200000210301 [0,1,0,1,0,0|0,0,0]=2 7395 B12R1.252 CC(=O)C=CCN1CCOCC1 1458a_100134615786_200000210301 [0,1,0,1,0,0|1,0,0]=3 7396 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000070787_100011713725 [0,1,0,1,0,0|0,0,2]=4 7397 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000211478_200000210301 [0,1,0,1,0,0|0,0,2]=4 7398 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000070787_100000690320 [0,1,0,1,0,0|0,0,2]=4 7399 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000742516_200000210301 [0,1,0,1,0,0|0,0,2]=4 7400 B12R1.252 CC(=O)CCOC1CCCCC1 1458a_100000070787_100011211530 [0,1,0,1,0,0|0,0,2]=4 7401 B12R1.252 CC(=O)CCOC1CCCCC1 34a_100000759926_100000210327 [0,1,0,1,0,0|0,0,2]=4 7402 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000210231_100000053229 [0,1,0,1,0,0|0,0,2]=4 7403 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000759926_100000210327 [0,1,0,1,0,0|0,0,2]=4 7404 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000053229_100000210327 [0,1,0,1,0,0|0,0,2]=4 7405 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000210327_100000053229 [0,1,0,1,0,0|0,0,2]=4 7406 B12R1.252 CC(=O)COCC1CCCCC1 34a_100000211253_100000211423 [0,1,0,1,0,0|0,0,2]=4 7407 B12R1.252 CC(=O)COCC1CCCCO1 1458a_100011223378_200000210301 [0,1,0,1,0,0|1,0,1]=4 7408 B12R1.252 CC(=O)COCC1CCCCO1 34a_100000211253_100000211543 [0,1,0,1,0,0|1,0,1]=4 7409 B12R1.252 CC(=O)COCC1CCCOC1 34a_100000211253_100000741521 [0,1,0,1,0,0|1,0,1]=4 7410 B12R1.252 CC(=O)COCC1CCOCC1 34a_100000211253_100000754603 [0,1,0,1,0,0|1,0,1]=4 7411 B12R1.252 CC(=O)NCCC1CCCCC1 11a_100000738074_100015343762 [0,1,0,1,0,0|0,0,2]=4 7412 B12R1.252 CC(=O)NCCC1CCCCC1 1626a_100000738074_100015343762 [0,1,0,1,0,0|0,0,2]=4 7413 B12R1.252 CC(=O)NCCC1CCCCC1 240690a_100000738074_100015343762 [0,1,0,1,0,0|0,0,2]=4 7414 B12R1.252 CC(=O)NCCC1CCCCC1 527a_100000738074_100103153847 [0,1,0,1,0,0|0,0,2]=4 7415 B12R1.252 CC(=O)NCCC1CCCCO1 11a_100015183643_100015343762 [0,1,0,1,0,0|1,0,1]=4 7416 B12R1.252 CC(=O)NCCC1CCCCO1 1626a_100015183643_100015343762 [0,1,0,1,0,0|1,0,1]=4 7417 B12R1.252 CC(=O)NCCC1CCCCO1 240690a_100015183643_100015343762 [0,1,0,1,0,0|1,0,1]=4 7418 B12R1.252 CC(=O)NCCC1CCCCO1 527a_100015183643_100103153847 [0,1,0,1,0,0|1,0,1]=4 7419 B12R1.252 CC(=O)NCCC1CCOCC1 11a_100000755988_100015343762 [0,1,0,1,0,0|1,0,1]=4 7420 B12R1.252 CC(=O)NCCC1CCOCC1 1626a_100000755988_100015343762 [0,1,0,1,0,0|1,0,1]=4 7421 B12R1.252 CC(=O)NCCC1CCOCC1 240690a_100000755988_100015343762 [0,1,0,1,0,0|1,0,1]=4 7422 B12R1.252 CC(=O)NCCC1CCOCC1 527a_100000755988_100103153847 [0,1,0,1,0,0|1,0,1]=4 7423 B12R1.252 CC(=O)NCCN1CCCCC1 240690a_100000216509_100015343762 [0,1,0,1,0,0|1,0,1]=4 7424 B12R1.252 CC(=O)NCCN1CCCCC1 527a_100000216509_100103153847 [0,1,0,1,0,0|1,0,1]=4 7425 B12R1.252 CC(=O)NN=CC1CCCCC1 4a_100000189765_100000211278 [0,1,0,1,0,0|1,0,0]=3 7426 B12R1.252 CC(=O)NN=CC1CCCOC1 4a_100000189765_100000753300 [0,1,0,1,0,0|2,0,0]=4 7427 B12R1.252 CC(=O)NN=CC1CCOCC1 4a_100000189765_100000749017 [0,1,0,1,0,0|2,0,0]=4 7428 B12R1.252 CC(=O)NN=CC1CCSCC1 4a_100000189765_100000067145 [0,1,0,1,0,0|2,0,0]=4 7429 B12R1.252 CC(=O)NNCC1CCCCC1 22a_100000740227_100000070787 [0,1,0,1,0,0|1,0,1]=4 7430 B12R1.252 CC(=O)NNCC1CCOCC1 22a_200000757053_100000070787 [0,1,0,1,0,0|2,0,0]=4 7431 B12R1.252 CC(=O)OCNC1CCCCC1 34a_100000182618_100009813279 [0,1,0,1,0,0|1,0,1]=4 7432 B12R1.252 CC(=O)OCOC1CCCCC1 34a_100000210231_100009813279 [0,1,0,1,0,0|1,0,1]=4 7433 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000076356_100000210327 [0,1,0,1,0,0|1,0,1]=4 7434 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000210327_100000076356 [0,1,0,1,0,0|1,0,1]=4 7435 B12R1.252 [13CH3]C(=O)C=CCN1CCCCC1 1458a_100015232380_200025704644 [0,1,0,1,0,0|0,0,0]=2 7436 B12R1.252 [13CH3]C(=O)C=CCN1CCOCC1 1458a_100134615786_200025704644 [0,1,0,1,0,0|1,0,0]=3 7437 B12R1.252 [13CH3]C(=O)CCCC1CCCCC1 1458a_100000211478_200025704644 [0,1,0,1,0,0|0,0,2]=4 7438 B12R1.252 [13CH3]C(=O)CCCN1CCCCC1 1458a_100000742516_200025704644 [0,1,0,1,0,0|0,0,2]=4 7439 B12R1.252 [13CH3]C(=O)COCC1CCCCO1 1458a_100011223378_200025704644 [0,1,0,1,0,0|1,0,1]=4 7440 B12R1.1809 CC(=O)NCCC1(CCCC1)O 11a_100000719956_100015343762 [0,1,0,1,0,0|1,0,1]=4 7441 B12R1.1809 CC(=O)NCCC1(CCCC1)O 1626a_100000719956_100015343762 [0,1,0,1,0,0|1,0,1]=4 7442 B12R1.1809 CC(=O)NCCC1(CCCC1)O 240690a_100000719956_100015343762 [0,1,0,1,0,0|1,0,1]=4 7443 B12R1.1809 CC(=O)NCCC1(CCCC1)O 527a_100000719956_100103153847 [0,1,0,1,0,0|1,0,1]=4 7444 B12R1.28 CCCCCN1CCC=C(C1)C 2230a_100000725631_100000210326 [0,1,0,1,0,0|1,0,1]=4 7445 B12R1.28 CCCCCN1CCC=C(C1)C 269982a_100000725631_100000210215 [0,1,0,1,0,0|1,0,1]=4 7446 B12R1.28 CCCCCN1CCC=C(C1)C 34a_100000725631_100000718602 [0,1,0,1,0,0|1,0,1]=4 7447 B12R1.28 CCCCCN1CCNC(=O)C1 2230a_100000184651_100000210326 [0,1,0,1,0,0|1,0,1]=4 7448 B12R1.28 CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210326 [0,1,0,1,0,0|1,0,1]=4 7449 B12R1.28 CCCCNC1CCNC(=O)C1 2230a_100016994916_100000210211 [0,1,0,1,0,0|1,0,1]=4 7450 B12R1.28 CCCCNC1CCNC(=O)C1 34a_100016994916_100000210210 [0,1,0,1,0,0|1,0,1]=4 7451 B12R1.28 CCCCOC1CCCC(=O)C1 34a_100012613340_100000210210 [0,1,0,1,0,0|0,0,2]=4 7452 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210210 [0,1,0,1,0,0|1,0,1]=4 7453 B12R1.28 CCCOCC1CCNC(=O)C1 34a_100009886756_100000210303 [0,1,0,1,0,0|1,0,1]=4 7454 B12R1.62 CCCCCCSC1CC(=O)C1 62a_100009894365_100000210757 [0,1,0,1,0,0|0,0,2]=4 7455 B12R1.62 CCCCCNCC1CC(=O)C1 2230a_100000209983_100009874392 [0,1,0,1,0,0|0,0,2]=4 7456 B12R1.62 CCCCCOCC1CC(=O)C1 34a_100000101936_100000718602 [0,1,0,1,0,0|0,0,2]=4 7457 B12R1.62 CCCCCOCC1CC(=O)C1 7a_100000210253_100009874392 [0,1,0,1,0,0|0,0,2]=4 7458 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100000210326_100009874392 [0,1,0,1,0,0|0,0,2]=4 7459 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100009874392_100000210326 [0,1,0,1,0,0|0,0,2]=4 7460 B12R1.75 COC1CCCCC1NC(=O)C 11a_100011208099_100015343762 [0,1,0,1,0,0|1,0,1]=4 7461 B12R1.75 COC1CCCCC1NC(=O)C 1626a_100011208099_100015343762 [0,1,0,1,0,0|1,0,1]=4 7462 B12R1.75 COC1CCCCC1NC(=O)C 240690a_100011208099_100015343762 [0,1,0,1,0,0|1,0,1]=4 7463 B12R1.75 COC1CCCCC1NC(=O)C 527a_100011208099_100103153847 [0,1,0,1,0,0|1,0,1]=4 7464 B12R1.81 CCC1CCCC1=NNC(=O)C 4a_100000189765_100000749056 [0,1,0,1,0,0|1,0,0]=3 7465 B12R1.81 CCC1CCCN1CC=C(C)C 2230a_100000754278_100000761012 [0,1,0,1,0,0|1,0,1]=4 7466 B12R1.81 CCC1CCCN1CC=C(C)C 269982a_100000754278_100000761012 [0,1,0,1,0,0|1,0,1]=4 7467 B12R1.81 CCC1CCCN1CC=C(C)C 34a_100000754278_100000761012 [0,1,0,1,0,0|1,0,1]=4 7468 B12R1.81 CCC1CCCN1CCC(=O)C 269982a_100000754278_100000053229 [0,1,0,1,0,0|0,0,2]=4 7469 B12R1.81 CCC1CCCN1COC(=O)C 269982a_100000754278_100000076356 [0,1,0,1,0,0|1,0,1]=4 7470 B12R1.81 CCC1CCCN1COC(=O)C 34a_100000754278_100009813279 [0,1,0,1,0,0|1,0,1]=4 7471 B12R1.81 CCN1CCCC1CNC(=O)C 11a_100000211693_100015343762 [0,1,0,1,0,0|1,0,1]=4 7472 B12R1.81 CCN1CCCC1CNC(=O)C 1626a_100000211693_100015343762 [0,1,0,1,0,0|1,0,1]=4 7473 B12R1.81 CCN1CCCC1CNC(=O)C 240690a_100000211693_100015343762 [0,1,0,1,0,0|1,0,1]=4 7474 B12R1.81 CCN1CCCC1CNC(=O)C 527a_100000211693_100103153847 [0,1,0,1,0,0|1,0,1]=4 7475 B12R1.130 CC(=CCCN1CCC[C@@H]1C)C 2230a_100020605311_100011217483 [0,1,0,1,0,0|1,0,1]=4 7476 B12R1.130 CC(=CCCN1CCC[C@@H]1C)C 269982a_100020605311_100011217483 [0,1,0,1,0,0|1,0,1]=4 7477 B12R1.130 CC(=CCCN1CCC[C@H]1C)C 2230a_100015189458_100011217483 [0,1,0,1,0,0|1,0,1]=4 7478 B12R1.130 CC(=CCCN1CCC[C@H]1C)C 269982a_100015189458_100011217483 [0,1,0,1,0,0|1,0,1]=4 7479 B12R1.130 CC(=CCCN1CCC[C@H]1C)C 34a_100015189458_100011217483 [0,1,0,1,0,0|1,0,1]=4 7480 B12R1.130 CC(=CCOC1CCCC1C)C 34a_100011216460_100000761012 [0,1,0,1,0,0|1,0,1]=4 7481 B12R1.130 CC(=CCOC1CCCC1C)C 7a_100011216460_100000761012 [0,1,0,1,0,0|1,0,1]=4 7482 B12R1.130 CC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011215641 [0,1,0,1,0,0|0,0,2]=4 7483 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011215641 [0,1,0,1,0,0|0,0,2]=4 7484 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000685027 [0,1,0,1,0,0|0,0,2]=4 7485 B12R1.130 CC(=O)CCOC1CCCC1C 7a_100011216460_100000053229 [0,1,0,1,0,0|0,0,2]=4 7486 B12R1.130 CC(=O)NCCC1CCCN1C 240690a_100011219722_100015343762 [0,1,0,1,0,0|1,0,1]=4 7487 B12R1.130 CC(=O)NCCC1CCCN1C 527a_100011219722_100103153847 [0,1,0,1,0,0|1,0,1]=4 7488 B12R1.130 CC(=O)NCCN1CCC[C@@H]1C 2230a_100020605311_100000189650 [0,1,0,1,0,0|1,0,1]=4 7489 B12R1.130 CC(=O)NCCN1CCC[C@@H]1C 269982a_100020605311_100000189650 [0,1,0,1,0,0|1,0,1]=4 7490 B12R1.130 CC(=O)NCCN1CCC[C@H]1C 2230a_100015189458_100000189650 [0,1,0,1,0,0|1,0,1]=4 7491 B12R1.130 CC(=O)NCCN1CCC[C@H]1C 269982a_100015189458_100000189650 [0,1,0,1,0,0|1,0,1]=4 7492 B12R1.130 CC(=O)OCCN1CCC[C@@H]1C 269982a_100020605311_100009814007 [0,1,0,1,0,0|1,0,1]=4 7493 B12R1.130 CC(=O)OCCN1CCC[C@H]1C 269982a_100015189458_100009814007 [0,1,0,1,0,0|1,0,1]=4 7494 B12R1.130 CC(=O)OCCN1CCC[C@H]1C 34a_100015189458_100009814007 [0,1,0,1,0,0|1,0,1]=4 7495 B12R1.130 CC(=O)OCOC1CCCC1C 34a_100011216460_100009813279 [0,1,0,1,0,0|1,0,1]=4 7496 B12R1.255 CC(=CC=NNC1CCCC1)C 4a_100000737850_100011215525 [0,1,0,1,0,0|2,0,0]=4 7497 B12R1.255 CC(=CCCNC1CCCC1)C 2230a_100000211070_100011217483 [0,1,0,1,0,0|1,0,1]=4 7498 B12R1.255 CC(=CCCNC1CCCC1)C 34a_100000211070_100011217483 [0,1,0,1,0,0|1,0,1]=4 7499 B12R1.255 CC(=CCCOC1CCCC1)C 34a_100000210269_100011217483 [0,1,0,1,0,0|1,0,1]=4 7500 B12R1.255 CC(=CCCOC1CCCC1)C 7a_100000210269_100011217483 [0,1,0,1,0,0|1,0,1]=4 7501 B12R1.255 CC(=CCCSC1CCCC1)C 62a_100011217020_100011217483 [0,1,0,1,0,0|1,0,1]=4 7502 B12R1.255 CC(=CCCSC1CCCC1)C 62a_100011217483_100000179811 [0,1,0,1,0,0|1,0,1]=4 7503 B12R1.255 CC(=CCNCC1CCCC1)C 2230a_100000737975_100000761012 [0,1,0,1,0,0|1,0,1]=4 7504 B12R1.255 CC(=CCNCC1CCCC1)C 34a_100000718196_100000740388 [0,1,0,1,0,0|1,0,1]=4 7505 B12R1.255 CC(=CCNCC1CCCC1)C 34a_100000737975_100000761012 [0,1,0,1,0,0|1,0,1]=4 7506 B12R1.255 CC(=CCOCC1CCCC1)C 34a_100000742336_100000761012 [0,1,0,1,0,0|1,0,1]=4 7507 B12R1.255 CC(=CCOCC1CCCC1)C 34a_100000753907_100000740388 [0,1,0,1,0,0|1,0,1]=4 7508 B12R1.255 CC(=CCOCC1CCCC1)C 7a_100000742336_100000761012 [0,1,0,1,0,0|1,0,1]=4 7509 B12R1.255 CC(=CCSCC1CCCC1)C 62a_100000740388_100000761012 [0,1,0,1,0,0|1,0,1]=4 7510 B12R1.255 CC(=CCSCC1CCCC1)C 62a_100000761012_100000740388 [0,1,0,1,0,0|1,0,1]=4 7511 B12R1.255 CC(=O)CCCCN1CCCC1 269982a_100000188435_100000735457 [0,1,0,1,0,0|0,0,2]=4 7512 B12R1.255 CC(=O)CCCNC1CCCC1 34a_100000211070_100000685027 [0,1,0,1,0,0|0,0,2]=4 7513 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000210269_100000685027 [0,1,0,1,0,0|0,0,2]=4 7514 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000759063_100000179811 [0,1,0,1,0,0|0,0,2]=4 7515 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000210269_100011215641 [0,1,0,1,0,0|0,0,2]=4 7516 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000759063_100000179811 [0,1,0,1,0,0|0,0,2]=4 7517 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011215641_100000179811 [0,1,0,1,0,0|0,0,2]=4 7518 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011217020_100011215641 [0,1,0,1,0,0|0,0,2]=4 7519 B12R1.255 CC(=O)CCOCC1CCCC1 34a_100000759926_100000740388 [0,1,0,1,0,0|0,0,2]=4 7520 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000742336_100000053229 [0,1,0,1,0,0|0,0,2]=4 7521 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000759926_100000740388 [0,1,0,1,0,0|0,0,2]=4 7522 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000053229_100000740388 [0,1,0,1,0,0|0,0,2]=4 7523 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000740388_100000053229 [0,1,0,1,0,0|0,0,2]=4 7524 B12R1.255 CC(=O)COCCC1CCCC1 34a_100000211253_100000760354 [0,1,0,1,0,0|0,0,2]=4 7525 B12R1.255 CC(=O)CSCCN1CCCC1 1458a_200015187850_200000210301 [0,1,0,1,0,0|1,0,1]=4 7526 B12R1.255 CC(=O)NCCCC1CCCC1 11a_100000736752_100015343762 [0,1,0,1,0,0|0,0,2]=4 7527 B12R1.255 CC(=O)NCCCC1CCCC1 1626a_100000736752_100015343762 [0,1,0,1,0,0|0,0,2]=4 7528 B12R1.255 CC(=O)NCCCC1CCCC1 240690a_100000736752_100015343762 [0,1,0,1,0,0|0,0,2]=4 7529 B12R1.255 CC(=O)NCCCC1CCCC1 527a_100000736752_100103153847 [0,1,0,1,0,0|0,0,2]=4 7530 B12R1.255 CC(=O)NCCCN1CCCC1 240690a_100000204695_100015343762 [0,1,0,1,0,0|1,0,1]=4 7531 B12R1.255 CC(=O)NCCNC1CCCC1 2230a_100000209853_100000179811 [0,1,0,1,0,0|1,0,1]=4 7532 B12R1.255 CC(=O)NCCNC1CCCC1 2230a_100000211070_100000189650 [0,1,0,1,0,0|1,0,1]=4 7533 B12R1.255 CC(=O)NCCOC1CCCC1 11a_100000741755_100015343762 [0,1,0,1,0,0|1,0,1]=4 7534 B12R1.255 CC(=O)NCCOC1CCCC1 1626a_100000741755_100015343762 [0,1,0,1,0,0|1,0,1]=4 7535 B12R1.255 CC(=O)NCCOC1CCCC1 240690a_100000741755_100015343762 [0,1,0,1,0,0|1,0,1]=4 7536 B12R1.255 CC(=O)NCCOC1CCCC1 34a_100000158858_100000179811 [0,1,0,1,0,0|1,0,1]=4 7537 B12R1.255 CC(=O)NCCOC1CCCC1 527a_100000741755_100103153847 [0,1,0,1,0,0|1,0,1]=4 7538 B12R1.255 CC(=O)NCCOC1CCCC1 7a_100000210269_100000189650 [0,1,0,1,0,0|1,0,1]=4 7539 B12R1.255 CC(=O)NCCSC1CCCC1 62a_100000189650_100000179811 [0,1,0,1,0,0|1,0,1]=4 7540 B12R1.255 CC(=O)NCCSC1CCCC1 62a_100011217020_100000189650 [0,1,0,1,0,0|1,0,1]=4 7541 B12R1.255 CC(=O)OCCCN1CCCC1 269982a_100000188435_100000042594 [0,1,0,1,0,0|1,0,1]=4 7542 B12R1.255 CC(=O)OCCNC1CCCC1 34a_100000211070_100009814007 [0,1,0,1,0,0|1,0,1]=4 7543 B12R1.255 CC(=O)OCCOC1CCCC1 34a_100000210269_100009814007 [0,1,0,1,0,0|1,0,1]=4 7544 B12R1.255 CC(=O)OCCOC1CCCC1 7a_100000210269_100009814007 [0,1,0,1,0,0|1,0,1]=4 7545 B12R1.255 CC(=O)OCCSC1CCCC1 62a_100009814007_100000179811 [0,1,0,1,0,0|1,0,1]=4 7546 B12R1.255 CC(=O)OCCSC1CCCC1 62a_100011217020_100009814007 [0,1,0,1,0,0|1,0,1]=4 7547 B12R1.255 CC(=O)OCNCC1CCCC1 34a_100000737975_100009813279 [0,1,0,1,0,0|1,0,1]=4 7548 B12R1.255 CC(=O)OCOCC1CCCC1 34a_100000742336_100009813279 [0,1,0,1,0,0|1,0,1]=4 7549 B12R1.255 CC(=O)OCSCC1CCCC1 62a_100000076356_100000740388 [0,1,0,1,0,0|1,0,1]=4 7550 B12R1.255 CC(=O)OCSCC1CCCC1 62a_100000740388_100000076356 [0,1,0,1,0,0|1,0,1]=4 7551 B12R1.255 CC(=O)SCCCN1CCCC1 2230a_100000188435_100000038929 [0,1,0,1,0,0|1,0,1]=4 7552 B12R1.255 CC(=O)SCCCN1CCCC1 269982a_100000188435_100000038929 [0,1,0,1,0,0|1,0,1]=4 7553 B12R1.255 [13CH3]C(=O)CSCCN1CCCC1 1458a_200015187850_200025704644 [0,1,0,1,0,0|1,0,1]=4 7554 B12R1.283 CC(=O)N1CCCCC1CCO 240690a_100000211664_100015343762 [0,1,0,1,0,0|1,0,1]=4 7555 B12R1.283 CCCC1CCCCN1C(=O)C 11a_100000701414_100015343762 [0,1,0,1,0,0|0,0,2]=4 7556 B12R1.283 CCCC1CCCCN1C(=O)C 1626a_100000701414_100015343762 [0,1,0,1,0,0|0,0,2]=4 7557 B12R1.283 CCCC1CCCCN1C(=O)C 240690a_100000701414_100015343762 [0,1,0,1,0,0|0,0,2]=4 7558 B12R1.283 CCCC1CCCCN1C(=O)C 527a_100000701414_100103153847 [0,1,0,1,0,0|0,0,2]=4 7559 B12R1.283 CCCC1COCCN1C(=O)C 11a_102495339903_100015343762 [0,1,0,1,0,0|1,0,1]=4 7560 B12R1.283 CCCC1COCCN1C(=O)C 1626a_102495339903_100015343762 [0,1,0,1,0,0|1,0,1]=4 7561 B12R1.283 CCCC1COCCN1C(=O)C 240690a_102495339903_100015343762 [0,1,0,1,0,0|1,0,1]=4 7562 B12R1.283 CCCC1COCCN1C(=O)C 527a_102495339903_100103153847 [0,1,0,1,0,0|1,0,1]=4 7563 B12R1.283 CCCN1CCCCC1C(=O)C 1458a_100000743559_200000210301 [0,1,0,1,0,0|0,0,2]=4 7564 B12R1.283 CCCN1CCCCC1C(=O)[13CH3] 1458a_100000743559_200025704644 [0,1,0,1,0,0|0,0,2]=4 7565 B12R1.283 COCC1CCCCN1C(=O)C 11a_100015184032_100015343762 [0,1,0,1,0,0|1,0,1]=4 7566 B12R1.283 COCC1CCCCN1C(=O)C 1626a_100015184032_100015343762 [0,1,0,1,0,0|1,0,1]=4 7567 B12R1.283 COCC1CCCCN1C(=O)C 240690a_100015184032_100015343762 [0,1,0,1,0,0|1,0,1]=4 7568 B12R1.283 COCC1CCCCN1C(=O)C 527a_100015184032_100103153847 [0,1,0,1,0,0|1,0,1]=4 7569 B12R1.321 CCCCN1CCCNC(=O)C1 2230a_100015190381_100000210211 [0,1,0,1,0,0|1,0,1]=4 7570 B12R1.386 CCCCC1C=CCN1C(=O)C 11a_100015184376_100015343762 [0,1,0,1,0,0|0,0,2]=4 7571 B12R1.386 CCCCC1C=CCN1C(=O)C 1626a_100015184376_100015343762 [0,1,0,1,0,0|0,0,2]=4 7572 B12R1.386 CCCCC1C=CCN1C(=O)C 240690a_100015184376_100015343762 [0,1,0,1,0,0|0,0,2]=4 7573 B12R1.386 CCCCC1C=CCN1C(=O)C 527a_100015184376_100103153847 [0,1,0,1,0,0|0,0,2]=4 7574 B12R1.386 CCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210211 [0,1,0,1,0,0|2,0,0]=4 7575 B12R1.386 CCCCc1ccsc1C(=O)C 271570a_100020621405_100000738688 [0,1,0,1,0,0|0,0,2]=4 7576 B12R1.386 CCCCc1ncsc1C(=O)C 271570a_100020621405_200010339033 [0,1,0,1,0,0|1,0,1]=4 7577 B12R1.386 CCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210202 [0,1,0,1,0,0|1,0,1]=4 7578 B12R1.386 CCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210202 [0,1,0,1,0,0|1,0,1]=4 7579 B12R2.1392 CC(=O)N1CC2CCC1CC2 11a_100000750499_100015343762 [0,0,0,2,0,0|1,0,1]=4 7580 B12R2.1392 CC(=O)N1CC2CCC1CC2 1626a_100000750499_100015343762 [0,0,0,2,0,0|1,0,1]=4 7581 B12R2.1392 CC(=O)N1CC2CCC1CC2 240690a_100000750499_100015343762 [0,0,0,2,0,0|1,0,1]=4 7582 B12R2.1392 CC(=O)N1CC2CCC1CC2 527a_100000750499_100103153847 [0,0,0,2,0,0|1,0,1]=4 7583 B12R2.1661 CC(=O)CC1CC2CCC1C2 1458a_100000211222_200000210301 [0,0,0,2,0,0|0,0,2]=4 7584 B12R2.1661 CC(=O)NC1CC2CCC1C2 11a_100000758229_100015343762 [0,0,0,2,0,0|1,0,1]=4 7585 B12R2.1661 CC(=O)NC1CC2CCC1C2 1626a_100000758229_100015343762 [0,0,0,2,0,0|1,0,1]=4 7586 B12R2.1661 CC(=O)NC1CC2CCC1C2 240690a_100000758229_100015343762 [0,0,0,2,0,0|1,0,1]=4 7587 B12R2.1661 CC(=O)NC1CC2CCC1C2 527a_100000758229_100103153847 [0,0,0,2,0,0|1,0,1]=4 7588 B12R2.1661 [13CH3]C(=O)CC1CC2CCC1C2 1458a_100000211222_200025704644 [0,0,0,2,0,0|0,0,2]=4 7589 B12R2.252 CC(=O)N1C[C@H]2CCC[C@H]2C1 1626a_100102946302_100015343762 [0,0,0,2,0,0|1,0,1]=4 7590 B12R2.252 CC(=O)N1C[C@H]2CCC[C@H]2C1 240690a_100102946302_100015343762 [0,0,0,2,0,0|1,0,1]=4 7591 B12R2.1356 CC(=O)N1CCCC1C2CC2 11a_200000757794_100015343762 [0,0,0,2,0,0|1,0,1]=4 7592 B12R2.1356 CC(=O)N1CCCC1C2CC2 1626a_200000757794_100015343762 [0,0,0,2,0,0|1,0,1]=4 7593 B12R2.1356 CC(=O)N1CCCC1C2CC2 240690a_200000757794_100015343762 [0,0,0,2,0,0|1,0,1]=4 7594 B12R2.1356 CC(=O)N1CCCC1C2CC2 527a_200000757794_100103153847 [0,0,0,2,0,0|1,0,1]=4